| 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 | 82.4 | Confident | 95.5 | Very high | 146 Ų | 146 | 67.2 Ų | 67.2 | 72% | 0.719 | 32% | 0.32 | S | S | * | . | 0 | -39.5 | 0 | 177.3 | 177.9 | 58.8 | 0 | 0 | 110.8 | Q4 T5 | M1-Q4 PolarHBondContact O-N 3.47Å; M1-T5 PolarHBondContact O-N 3.36Å; M1-T5 VanDerWaalsContact O-N 3.12Å; M1-T5 PolarHBondContact O-OG1 2.99Å | |||
| 2 | E | 92.2 | Very high | 95.7 | Very high | 22 Ų | 22 | 61.9 Ų | 61.9 | 10% | 0.103 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -53.6 | -55.6 | 177.8 | -59.9 | 66.2 | -144 | 0 | 0 | 111.6 | Q4 T5 V6 V164 E173 L174 | E2-Q4 VanDerWaalsContact C-N 3.32Å; E2-Q4 PolarHBondContact O-N 2.86Å; E2-T5 WeakPolarHBondContact O-CB 3.34Å; E2-T5 PolarHBondContact O-N 3.42Å; E2-V6 WeakPolarHBondContact O-CG2 3.3Å; E2-V6 PolarHBondContact O-N 3.34Å; E2-V164 HydrophobicContact CG-CG1 4.37Å; E2-E173 HydrophobicContact CB-CG 3.97Å; E2-E173 HydrophobicContact CG-CB 4.15Å; E2-E173 HydrophobicContact CG-CG 4.02Å; E2-L174 HydrophobicContact CB-CD1 4.12Å; E2-L174 HydrophobicContact CG-CB 4.48Å |
| 3 | K | 94.3 | Very high | 96 | Very high | 110 Ų | 110 | 59.7 Ų | 59.7 | 48% | 0.478 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -52 | -49.9 | 177.4 | 179.1 | 175.9 | -172.4 | -58 | 0 | 112.3 | T5 V6 D7 | K3-T5 VanDerWaalsContact C-N 3.28Å; K3-T5 PolarHBondContact O-N 3.42Å; K3-V6 PolarHBondContact O-N 2.89Å; K3-V6 VanDerWaalsContact O-N 3.17Å; K3-D7 IonicContact NZ-OD1 2.74Å; K3-D7 IonicContact NZ-OD2 3.7Å; K3-D7 PolarHBondContact NZ-OD2 2.98Å; K3-D7 VanDerWaalsContact O-CG 3.26Å; K3-D7 PolarHBondContact O-N 2.98Å |
| 4 | Q | 95.7 | Very high | 96.2 | Very high | 116 Ų | 116 | 64.4 Ų | 64.4 | 54% | 0.542 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.1 | -37.6 | -179 | -172.8 | -178 | 6.7 | 0 | 0 | 111.8 | M1 E2 D7 F8 | M1-Q4 PolarHBondContact O-N 3.47Å; E2-Q4 VanDerWaalsContact C-N 3.32Å; E2-Q4 PolarHBondContact O-N 2.86Å; Q4-D7 PolarHBondContact O-N 3.49Å; Q4-F8 HydrophobicContact CG-CD2 3.91Å; Q4-F8 HydrophobicContact CG-CE2 3.41Å; Q4-F8 VanDerWaalsContact CG-CE2 3.41Å; Q4-F8 HydrophobicContact CG-CZ 3.88Å; Q4-F8 WeakPolarHBondContact O-CD2 3.34Å; Q4-F8 WeakPolarHBondContact O-CG 3.49Å; Q4-F8 PolarHBondContact O-N 3.28Å |
| 5 | T | 96.6 | Very high | 96.3 | Very high | 28 Ų | 28 | 65.9 Ų | 65.9 | 17% | 0.172 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 176.3 | -61 | 0 | 0 | 0 | 0 | 111.8 | M1 E2 K3 A9 P162 V164 | M1-T5 PolarHBondContact O-N 3.36Å; M1-T5 VanDerWaalsContact O-N 3.12Å; M1-T5 PolarHBondContact O-OG1 2.99Å; E2-T5 WeakPolarHBondContact O-CB 3.34Å; E2-T5 PolarHBondContact O-N 3.42Å; K3-T5 VanDerWaalsContact C-N 3.28Å; K3-T5 PolarHBondContact O-N 3.42Å; T5-A9 PolarHBondContact O-N 2.97Å; T5-A9 VanDerWaalsContact O-N 3.08Å; T5-P162 HydrophobicContact CG2-CB 3.54Å; T5-P162 HydrophobicContact CG2-CG 3.49Å; T5-P162 VanDerWaalsContact CG2-CG 3.49Å; T5-V164 HydrophobicContact CG2-CG2 3.73Å |
| 6 | V | 98.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 176.1 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | E2 K3 A9 R10 V134 L174 Q177 F179 | E2-V6 WeakPolarHBondContact O-CG2 3.3Å; E2-V6 PolarHBondContact O-N 3.34Å; K3-V6 PolarHBondContact O-N 2.89Å; K3-V6 VanDerWaalsContact O-N 3.17Å; V6-A9 PolarHBondContact O-N 3.01Å; V6-R10 WeakPolarHBondContact O-CB 3.36Å; V6-R10 PolarHBondContact O-N 3.37Å; V6-V134 HydrophobicContact CG2-CG2 4.31Å; V6-L174 HydrophobicContact CG2-CD1 3.66Å; V6-Q177 HydrophobicContact CB-CB 4.26Å; V6-Q177 HydrophobicContact CB-CG 4.4Å; V6-Q177 HydrophobicContact CG1-CB 4.07Å; V6-Q177 HydrophobicContact CG2-CB 3.98Å; V6-Q177 HydrophobicContact CG2-CG 3.97Å; V6-F179 HydrophobicContact CG1-CE1 4.08Å; V6-F179 HydrophobicContact CG1-CZ 4.22Å; V6-F179 HydrophobicContact CG2-CE1 3.92Å; V6-F179 HydrophobicContact CG2-CE2 4.39Å; V6-F179 HydrophobicContact CG2-CZ 3.49Å; V6-F179 VanDerWaalsContact CG2-CZ 3.49Å |
| 7 | D | 97.9 | Very high | 96.5 | Very high | 57 Ų | 57 | 63.4 Ų | 63.4 | 31% | 0.305 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 177.1 | -68.7 | -22.4 | 0 | 0 | 0 | 110.5 | K3 Q4 A9 R10 D11 | K3-D7 IonicContact NZ-OD1 2.74Å; K3-D7 IonicContact NZ-OD2 3.7Å; K3-D7 PolarHBondContact NZ-OD2 2.98Å; K3-D7 VanDerWaalsContact O-CG 3.26Å; K3-D7 PolarHBondContact O-N 2.98Å; Q4-D7 PolarHBondContact O-N 3.49Å; D7-A9 PolarHBondContact O-N 3.29Å; D7-R10 WeakPolarHBondContact O-CB 3.42Å; D7-R10 PolarHBondContact O-N 2.89Å; D7-D11 PolarHBondContact O-N 2.94Å |
| 8 | F | 97 | Very high | 96.6 | Very high | 106 Ų | 106 | 59.8 Ų | 59.8 | 47% | 0.465 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 176.3 | -71.6 | -40.6 | 0 | 0 | 0 | 113.5 | Q4 R10 D11 A12 | Q4-F8 HydrophobicContact CG-CD2 3.91Å; Q4-F8 HydrophobicContact CG-CE2 3.41Å; Q4-F8 VanDerWaalsContact CG-CE2 3.41Å; Q4-F8 HydrophobicContact CG-CZ 3.88Å; Q4-F8 WeakPolarHBondContact O-CD2 3.34Å; Q4-F8 WeakPolarHBondContact O-CG 3.49Å; Q4-F8 PolarHBondContact O-N 3.28Å; F8-R10 VanDerWaalsContact C-N 3.29Å; F8-R10 PolarHBondContact O-N 3.44Å; F8-D11 PolarHBondContact O-N 3.39Å; F8-A12 WeakPolarHBondContact O-CB 3.41Å; F8-A12 PolarHBondContact O-N 2.97Å |
| 9 | A | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.5 | -36.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T5 V6 D7 F13 V105 A132 V134 E159 P162 | T5-A9 PolarHBondContact O-N 2.97Å; T5-A9 VanDerWaalsContact O-N 3.08Å; V6-A9 PolarHBondContact O-N 3.01Å; D7-A9 PolarHBondContact O-N 3.29Å; A9-F13 WeakPolarHBondContact O-CB 3.24Å; A9-F13 PolarHBondContact O-N 3.32Å; A9-V105 HydrophobicContact CB-CG1 4.19Å; A9-A132 HydrophobicContact CB-CB 4.41Å; A9-V134 HydrophobicContact CB-CG2 4.16Å; A9-E159 WeakPolarHBondContact CA-O 3.22Å; A9-P162 HydrophobicContact CB-CG 4.18Å |
| 10 | R | 98.8 | Very high | 96.8 | Very high | 54 Ų | 54 | 63.4 Ų | 63.4 | 20% | 0.204 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.9 | -45.8 | 175.6 | -170.3 | 166.4 | -67.4 | -74.1 | -4.4 | 111.6 | V6 D7 F8 A12 F13 L14 V105 R178 D180 | V6-R10 WeakPolarHBondContact O-CB 3.36Å; V6-R10 PolarHBondContact O-N 3.37Å; D7-R10 WeakPolarHBondContact O-CB 3.42Å; D7-R10 PolarHBondContact O-N 2.89Å; F8-R10 VanDerWaalsContact C-N 3.29Å; F8-R10 PolarHBondContact O-N 3.44Å; R10-A12 VanDerWaalsContact C-N 3.33Å; R10-A12 PolarHBondContact O-N 2.92Å; R10-F13 WeakPolarHBondContact O-CB 3.47Å; R10-F13 PolarHBondContact O-N 3.33Å; R10-L14 HydrophobicContact CG-CD1 4.29Å; R10-L14 VanDerWaalsContact O-CG 3.29Å; R10-L14 WeakPolarHBondContact O-CG 3.34Å; R10-L14 PolarHBondContact O-N 2.87Å; R10-V105 HydrophobicContact CB-CG2 3.86Å; R10-V105 HydrophobicContact CG-CG2 4.22Å; R10-R178 PolarHBondContact NH2-O 2.94Å; R10-D180 IonicContact CZ-OD2 3.62Å; R10-D180 IonicContact NH1-OD1 2.66Å; R10-D180 IonicContact NH1-OD2 2.76Å; R10-D180 PolarHBondContact NH1-OD2 3.46Å; R10-D180 IonicContact NH2-OD2 3.96Å; R10-D180 PolarHBondContact NH2-OD2 2.99Å |
| 11 | D | 98.6 | Very high | 96.9 | Very high | 97 Ų | 97 | 63.3 Ų | 63.3 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 176.4 | -70.8 | -17.5 | 0 | 0 | 0 | 111.1 | D7 F8 F13 L14 T15 | D7-D11 PolarHBondContact O-N 2.94Å; F8-D11 PolarHBondContact O-N 3.39Å; D11-F13 PolarHBondContact O-N 3.42Å; D11-L14 PolarHBondContact O-N 3.41Å; D11-T15 WeakPolarHBondContact O-CG2 3.48Å; D11-T15 PolarHBondContact O-N 2.91Å |
| 12 | A | 98.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 64.9 Ų | 64.9 | 3% | 0.033 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F8 R10 T15 E159 L160 | F8-A12 WeakPolarHBondContact O-CB 3.41Å; F8-A12 PolarHBondContact O-N 2.97Å; R10-A12 VanDerWaalsContact C-N 3.33Å; R10-A12 PolarHBondContact O-N 2.92Å; A12-T15 WeakPolarHBondContact O-CB 3.46Å; A12-T15 PolarHBondContact O-N 2.86Å; A12-T15 PolarHBondContact O-OG1 3.38Å; A12-E159 HydrophobicContact CB-CB 3.79Å; A12-L160 HydrophobicContact CB-CD2 3.78Å; A12-L160 HydrophobicContact CB-CG 4.01Å |
| 13 | F | 98.9 | Very high | 98 | Very high | 33 Ų | 33 | 65.5 Ų | 65.5 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 174.4 | 173.9 | -102.5 | 0 | 0 | 0 | 112 | A9 R10 D11 T15 G16 P102 A132 L160 | A9-F13 WeakPolarHBondContact O-CB 3.24Å; A9-F13 PolarHBondContact O-N 3.32Å; R10-F13 WeakPolarHBondContact O-CB 3.47Å; R10-F13 PolarHBondContact O-N 3.33Å; D11-F13 PolarHBondContact O-N 3.42Å; F13-T15 PolarHBondContact O-N 3.37Å; F13-G16 PolarHBondContact O-N 3.3Å; F13-P102 HydrophobicContact CE2-CB 3.89Å; F13-P102 HydrophobicContact CE2-CG 3.92Å; F13-P102 HydrophobicContact CZ-CB 4.21Å; F13-P102 HydrophobicContact CZ-CG 4.03Å; F13-A132 HydrophobicContact CB-CB 3.94Å; F13-L160 HydrophobicContact CB-CD2 4.4Å |
| 14 | L | 98.8 | Very high | 98.2 | Very high | 125 Ų | 125 | 61.1 Ų | 61.1 | 65% | 0.654 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66.1 | -19.1 | -178 | -70.4 | 172.7 | 0 | 0 | 0 | 113.6 | R10 D11 G16 | R10-L14 HydrophobicContact CG-CD1 4.29Å; R10-L14 VanDerWaalsContact O-CG 3.29Å; R10-L14 WeakPolarHBondContact O-CG 3.34Å; R10-L14 PolarHBondContact O-N 2.87Å; D11-L14 PolarHBondContact O-N 3.41Å; L14-G16 PolarHBondContact O-N 2.86Å |
| 15 | T | 98.6 | Very high | 98.4 | Very high | 88 Ų | 88 | 57.3 Ų | 57.3 | 54% | 0.54 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.1 | 169.3 | 72.5 | 0 | 0 | 0 | 0 | 113.2 | D11 A12 F13 R17 | D11-T15 WeakPolarHBondContact O-CG2 3.48Å; D11-T15 PolarHBondContact O-N 2.91Å; A12-T15 WeakPolarHBondContact O-CB 3.46Å; A12-T15 PolarHBondContact O-N 2.86Å; A12-T15 PolarHBondContact O-OG1 3.38Å; F13-T15 PolarHBondContact O-N 3.37Å; T15-R17 PolarHBondContact O-N 2.9Å; T15-R17 WeakPolarHBondContact OG1-CG 3.28Å; T15-R17 PolarHBondContact OG1-N 2.96Å |
| 16 | G | 98.3 | Very high | 98.5 | Very high | 16 Ų | 16 | 61.4 Ų | 61.4 | 17% | 0.165 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 3.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | F13 L14 S18 Q19 P20 | F13-G16 PolarHBondContact O-N 3.3Å; L14-G16 PolarHBondContact O-N 2.86Å; G16-S18 PolarHBondContact O-N 3.48Å; G16-Q19 VanDerWaalsContact O-CB 3.25Å; G16-Q19 WeakPolarHBondContact O-CB 3.45Å; G16-Q19 WeakPolarHBondContact O-CG 3.39Å; G16-Q19 PolarHBondContact O-N 2.93Å; G16-P20 WeakPolarHBondContact O-CD 3.46Å |
| 17 | R | 97.8 | Very high | 98.5 | Very high | 72 Ų | 72 | 61.9 Ų | 61.9 | 27% | 0.272 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -20.8 | -175.2 | 77.3 | -172 | -174.2 | -149.1 | 0.8 | 114.5 | T15 Q19 P20 F23 D157 E159 L160 | T15-R17 PolarHBondContact O-N 2.9Å; T15-R17 WeakPolarHBondContact OG1-CG 3.28Å; T15-R17 PolarHBondContact OG1-N 2.96Å; R17-Q19 VanDerWaalsContact C-N 3.35Å; R17-P20 WeakPolarHBondContact O-CD 3.34Å; R17-F23 HydrophobicContact CG-CZ 4.46Å; R17-F23 WeakPolarHBondContact O-CB 3.39Å; R17-F23 WeakPolarHBondContact O-CD1 3.31Å; R17-F23 WeakPolarHBondContact O-CG 3.44Å; R17-D157 IonicContact CZ-OD1 2.83Å; R17-D157 IonicContact CZ-OD2 3.34Å; R17-D157 IonicContact NE-OD2 3.44Å; R17-D157 PolarHBondContact NE-OD2 3.44Å; R17-D157 IonicContact NH2-OD1 3.37Å; R17-D157 PolarHBondContact NH2-OD1 3.49Å; R17-D157 IonicContact NH2-OD2 2.73Å; R17-D157 PolarHBondContact NH2-OD2 3.48Å; R17-E159 IonicContact CZ-OE2 3.72Å; R17-E159 VanDerWaalsContact CZ-OE2 3.25Å; R17-E159 IonicContact NH1-OE2 3.07Å; R17-E159 PolarHBondContact NH1-OE2 3.21Å; R17-E159 IonicContact NH2-OE2 3.4Å; R17-E159 PolarHBondContact NH2-OE2 2.86Å; R17-L160 HydrophobicContact CG-CD1 3.96Å |
| 18 | S | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -10.8 | 172.2 | 65.3 | 0 | 0 | 0 | 0 | 113.8 | G16 R24 G130 | G16-S18 PolarHBondContact O-N 3.48Å; S18-R24 WeakPolarHBondContact O-CG 3.35Å; S18-R24 PolarHBondContact O-NE 3.28Å; S18-G130 WeakPolarHBondContact CB-O 3.34Å; S18-G130 PolarHBondContact OG-O 3.28Å |
| 19 | Q | 97.6 | Very high | 98.6 | Very high | 119 Ų | 119 | 59.9 Ų | 59.9 | 56% | 0.556 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -67.2 | -46.2 | -177.8 | -64.2 | -177.4 | 4.8 | 0 | 0 | 113.5 | G16 R17 L21 R24 | G16-Q19 VanDerWaalsContact O-CB 3.25Å; G16-Q19 WeakPolarHBondContact O-CB 3.45Å; G16-Q19 WeakPolarHBondContact O-CG 3.39Å; G16-Q19 PolarHBondContact O-N 2.93Å; R17-Q19 VanDerWaalsContact C-N 3.35Å; Q19-L21 PolarHBondContact O-N 2.98Å; Q19-R24 PolarHBondContact O-NE 3.34Å; Q19-R24 PolarHBondContact O-NH2 3.04Å |
| 20 | P | 98.7 | Very high | 98.7 | Very high | 72 Ų | 72 | 60.4 Ų | 60.4 | 47% | 0.468 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -63.3 | 130.3 | -177.7 | -22.8 | 35 | 0 | 0 | 0 | 112.3 | G16 R17 K22 F23 R24 | G16-P20 WeakPolarHBondContact O-CD 3.46Å; R17-P20 WeakPolarHBondContact O-CD 3.34Å; P20-K22 PolarHBondContact O-N 2.7Å; P20-K22 VanDerWaalsContact O-N 3.13Å; P20-F23 WeakPolarHBondContact O-CB 3.19Å; P20-F23 PolarHBondContact O-N 2.93Å; P20-R24 PolarHBondContact O-N 3.3Å |
| 21 | L | 98.8 | Very high | 98.7 | Very high | 62 Ų | 62 | 57.9 Ų | 57.9 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.7 | -33.9 | 179.2 | -58.5 | -175.5 | 0 | 0 | 0 | 112.6 | Q19 F23 R24 V25 L76 A80 | Q19-L21 PolarHBondContact O-N 2.98Å; L21-F23 VanDerWaalsContact C-N 3.32Å; L21-F23 PolarHBondContact O-N 3.16Å; L21-R24 PolarHBondContact O-N 2.96Å; L21-V25 WeakPolarHBondContact O-CG2 3.38Å; L21-V25 PolarHBondContact O-N 3.42Å; L21-L76 HydrophobicContact CB-CD2 4.49Å; L21-L76 HydrophobicContact CD2-CD1 4.37Å; L21-L76 HydrophobicContact CD2-CD2 4.35Å; L21-L76 HydrophobicContact CD2-CG 4.12Å; L21-A80 HydrophobicContact CD1-CB 4.26Å; L21-A80 HydrophobicContact CD2-CB 3.68Å |
| 22 | K | 98.8 | Very high | 98.7 | Very high | 179 Ų | 179 | 55 Ų | 55 | 78% | 0.778 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -58.9 | -42 | 176.5 | -173.9 | -179.5 | 178 | -176.6 | 0 | 112.2 | P20 Q26 | P20-K22 PolarHBondContact O-N 2.7Å; P20-K22 VanDerWaalsContact O-N 3.13Å; K22-Q26 PolarHBondContact O-N 2.92Å |
| 23 | F | 98.9 | Very high | 98.7 | Very high | 35 Ų | 35 | 60.4 Ų | 60.4 | 15% | 0.154 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 177.3 | 179.5 | -90.1 | 0 | 0 | 0 | 110.6 | R17 P20 L21 V25 Q26 Q27 D157 L160 | R17-F23 HydrophobicContact CG-CZ 4.46Å; R17-F23 WeakPolarHBondContact O-CB 3.39Å; R17-F23 WeakPolarHBondContact O-CD1 3.31Å; R17-F23 WeakPolarHBondContact O-CG 3.44Å; P20-F23 WeakPolarHBondContact O-CB 3.19Å; P20-F23 PolarHBondContact O-N 2.93Å; L21-F23 VanDerWaalsContact C-N 3.32Å; L21-F23 PolarHBondContact O-N 3.16Å; F23-V25 PolarHBondContact O-N 3.06Å; F23-Q26 WeakPolarHBondContact O-CB 3.32Å; F23-Q26 PolarHBondContact O-N 2.77Å; F23-Q26 VanDerWaalsContact O-N 3.09Å; F23-Q27 HydrophobicContact CD1-CG 3.93Å; F23-Q27 HydrophobicContact CE1-CG 3.48Å; F23-Q27 VanDerWaalsContact CE1-CG 3.48Å; F23-Q27 HydrophobicContact CE2-CG 4.49Å; F23-Q27 HydrophobicContact CZ-CG 3.81Å; F23-Q27 WeakPolarHBondContact O-CG 3.36Å; F23-Q27 PolarHBondContact O-N 3.05Å; F23-D157 HydrophobicContact CZ-CB 4.07Å; F23-L160 HydrophobicContact CE1-CD1 3.53Å; F23-L160 HydrophobicContact CZ-CD1 3.59Å |
| 24 | R | 98.8 | Very high | 98.6 | Very high | 18 Ų | 18 | 58.9 Ų | 58.9 | 7% | 0.068 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59 | -45.6 | 178.2 | -54 | -177.1 | -160.6 | -170.6 | 1.1 | 111.8 | S18 Q19 P20 L21 Q26 Q27 L28 L76 I127 A128 A129 | S18-R24 WeakPolarHBondContact O-CG 3.35Å; S18-R24 PolarHBondContact O-NE 3.28Å; Q19-R24 PolarHBondContact O-NE 3.34Å; Q19-R24 PolarHBondContact O-NH2 3.04Å; P20-R24 PolarHBondContact O-N 3.3Å; L21-R24 PolarHBondContact O-N 2.96Å; R24-Q26 VanDerWaalsContact C-N 3.31Å; R24-Q26 PolarHBondContact O-N 3.47Å; R24-Q27 PolarHBondContact O-N 2.58Å; R24-L28 WeakPolarHBondContact O-CG 3.19Å; R24-L28 PolarHBondContact O-N 2.8Å; R24-L76 HydrophobicContact CB-CD2 3.81Å; R24-I127 WeakPolarHBondContact CD-O 3.42Å; R24-A128 WeakPolarHBondContact CD-O 3.27Å; R24-A128 PolarHBondContact NH1-O 3.04Å; R24-A129 PolarHBondContact NH1-O 3.19Å |
| 25 | V | 98.9 | Very high | 98.6 | Very high | 35 Ų | 35 | 53 Ų | 53 | 21% | 0.212 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60 | -40.5 | 174.8 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | L21 F23 L28 K29 V73 L76 | L21-V25 WeakPolarHBondContact O-CG2 3.38Å; L21-V25 PolarHBondContact O-N 3.42Å; F23-V25 PolarHBondContact O-N 3.06Å; V25-L28 PolarHBondContact O-N 3.41Å; V25-K29 HydrophobicContact CG1-CD 4.09Å; V25-K29 HydrophobicContact CG1-CG 4.4Å; V25-K29 WeakPolarHBondContact O-CB 3.39Å; V25-K29 WeakPolarHBondContact O-CG 3.31Å; V25-K29 PolarHBondContact O-N 3.24Å; V25-V73 HydrophobicContact CG1-CG1 4.14Å; V25-V73 HydrophobicContact CG1-CG2 4.49Å; V25-L76 HydrophobicContact CG2-CD2 3.87Å |
| 26 | Q | 98.9 | Very high | 98.5 | Very high | 115 Ų | 115 | 52.4 Ų | 52.4 | 54% | 0.537 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 177.3 | -179 | 180 | -5.5 | 0 | 0 | 111.6 | K22 F23 R24 K29 S30 | K22-Q26 PolarHBondContact O-N 2.92Å; F23-Q26 WeakPolarHBondContact O-CB 3.32Å; F23-Q26 PolarHBondContact O-N 2.77Å; F23-Q26 VanDerWaalsContact O-N 3.09Å; R24-Q26 VanDerWaalsContact C-N 3.31Å; R24-Q26 PolarHBondContact O-N 3.47Å; Q26-K29 PolarHBondContact O-N 3.08Å; Q26-S30 PolarHBondContact O-N 3.31Å |
| 27 | Q | 98.9 | Very high | 98.5 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -45 | 177.1 | -63.8 | -60.8 | -44 | 0 | 0 | 111.5 | F23 R24 K29 S30 L31 I127 L156 Y161 | F23-Q27 HydrophobicContact CD1-CG 3.93Å; F23-Q27 HydrophobicContact CE1-CG 3.48Å; F23-Q27 VanDerWaalsContact CE1-CG 3.48Å; F23-Q27 HydrophobicContact CE2-CG 4.49Å; F23-Q27 HydrophobicContact CZ-CG 3.81Å; F23-Q27 WeakPolarHBondContact O-CG 3.36Å; F23-Q27 PolarHBondContact O-N 3.05Å; R24-Q27 PolarHBondContact O-N 2.58Å; Q27-K29 PolarHBondContact O-N 3.34Å; Q27-S30 WeakPolarHBondContact O-CB 3.21Å; Q27-S30 PolarHBondContact O-N 2.98Å; Q27-S30 VanDerWaalsContact O-N 3.17Å; Q27-L31 PolarHBondContact O-N 3.2Å; Q27-I127 HydrophobicContact CB-CG2 3.71Å; Q27-L156 HydrophobicContact CB-CD2 4.35Å; Q27-L156 VanDerWaalsContact O-CD2 3.24Å; Q27-L156 WeakPolarHBondContact O-CD2 3.25Å; Q27-Y161 HydrophobicContact CB-CE2 4.39Å; Q27-Y161 HydrophobicContact CG-CE2 3.91Å |
| 28 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 175.9 | -71.4 | 173.4 | 0 | 0 | 0 | 112.4 | R24 V25 S30 L31 Q32 I69 A72 V73 I124 I127 A128 | R24-L28 WeakPolarHBondContact O-CG 3.19Å; R24-L28 PolarHBondContact O-N 2.8Å; V25-L28 PolarHBondContact O-N 3.41Å; L28-S30 VanDerWaalsContact C-N 3.35Å; L28-S30 PolarHBondContact O-N 3.32Å; L28-L31 WeakPolarHBondContact O-CB 3.12Å; L28-L31 PolarHBondContact O-N 3.46Å; L28-Q32 PolarHBondContact O-N 3.21Å; L28-I69 HydrophobicContact CB-CG2 4.21Å; L28-I69 WeakPolarHBondContact O-CG2 3.45Å; L28-A72 HydrophobicContact CD1-CB 3.98Å; L28-V73 HydrophobicContact CB-CG2 3.85Å; L28-V73 HydrophobicContact CD1-CG2 4.09Å; L28-I124 HydrophobicContact CD2-CB 4.38Å; L28-I124 HydrophobicContact CD2-CG2 3.88Å; L28-I127 HydrophobicContact CD2-CB 4.12Å; L28-I127 HydrophobicContact CD2-CG2 3.94Å; L28-I127 HydrophobicContact CG-CG2 3.84Å; L28-A128 HydrophobicContact CD1-CB 4.39Å |
| 29 | K | 98.9 | Very high | 98.4 | Very high | 121 Ų | 121 | 60.3 Ų | 60.3 | 53% | 0.526 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.9 | -34.1 | 175.4 | -73.6 | -178 | 176.1 | -172.8 | 0 | 112.8 | V25 Q26 Q27 Q32 R33 V73 | V25-K29 HydrophobicContact CG1-CD 4.09Å; V25-K29 HydrophobicContact CG1-CG 4.4Å; V25-K29 WeakPolarHBondContact O-CB 3.39Å; V25-K29 WeakPolarHBondContact O-CG 3.31Å; V25-K29 PolarHBondContact O-N 3.24Å; Q26-K29 PolarHBondContact O-N 3.08Å; Q27-K29 PolarHBondContact O-N 3.34Å; K29-Q32 WeakPolarHBondContact O-CB 3.22Å; K29-Q32 PolarHBondContact O-N 3.16Å; K29-R33 WeakPolarHBondContact O-CG 3.44Å; K29-R33 PolarHBondContact O-N 2.98Å; K29-V73 HydrophobicContact CG-CG2 4.47Å |
| 30 | S | 98.9 | Very high | 98.3 | Very high | 12 Ų | 12 | 57 Ų | 57 | 8% | 0.084 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 171.4 | -81.1 | 0 | 0 | 0 | 0 | 112.2 | Q26 Q27 L28 Q32 R33 L34 Y155 | Q26-S30 PolarHBondContact O-N 3.31Å; Q27-S30 WeakPolarHBondContact O-CB 3.21Å; Q27-S30 PolarHBondContact O-N 2.98Å; Q27-S30 VanDerWaalsContact O-N 3.17Å; L28-S30 VanDerWaalsContact C-N 3.35Å; L28-S30 PolarHBondContact O-N 3.32Å; S30-Q32 VanDerWaalsContact C-N 3.35Å; S30-R33 WeakPolarHBondContact O-CB 3.38Å; S30-R33 PolarHBondContact O-N 2.92Å; S30-R33 PolarHBondContact OG-NH2 3.16Å; S30-L34 PolarHBondContact O-N 3.38Å; S30-Y155 WeakPolarHBondContact CB-O 3.39Å; S30-Y155 WeakPolarHBondContact O-CD1 3.36Å; S30-Y155 PolarHBondContact OG-O 3.42Å |
| 31 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 173.7 | -171 | 58.3 | 0 | 0 | 0 | 111.7 | Q27 L28 R33 L34 I35 I69 L120 I124 I127 L152 L156 | Q27-L31 PolarHBondContact O-N 3.2Å; L28-L31 WeakPolarHBondContact O-CB 3.12Å; L28-L31 PolarHBondContact O-N 3.46Å; L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 2.93Å; L31-L34 HydrophobicContact CD1-CD1 4.47Å; L31-L34 WeakPolarHBondContact O-CB 3.47Å; L31-L34 PolarHBondContact O-N 2.84Å; L31-I35 WeakPolarHBondContact O-CG1 3.41Å; L31-I35 PolarHBondContact O-N 3.25Å; L31-I35 VanDerWaalsContact O-N 3.13Å; L31-I69 HydrophobicContact CB-CD1 4.24Å; L31-I69 HydrophobicContact CD2-CD1 4.26Å; L31-I69 HydrophobicContact CG-CD1 4.05Å; L31-L120 HydrophobicContact CD1-CD1 4.29Å; L31-L120 HydrophobicContact CD1-CD2 4.24Å; L31-I124 HydrophobicContact CD2-CD1 4.38Å; L31-I124 HydrophobicContact CD2-CG1 3.61Å; L31-I127 HydrophobicContact CD2-CD1 4.48Å; L31-L152 HydrophobicContact CD1-CD1 4.09Å; L31-L156 HydrophobicContact CB-CD2 4.17Å; L31-L156 HydrophobicContact CD1-CD1 4.41Å |
| 32 | Q | 98.6 | Very high | 98.2 | Very high | 38 Ų | 38 | 54.2 Ų | 54.2 | 18% | 0.178 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.7 | -45.7 | 172.2 | -176.8 | 63.6 | 53.1 | 0 | 0 | 111.2 | L28 K29 S30 L34 I35 T36 E66 I69 | L28-Q32 PolarHBondContact O-N 3.21Å; K29-Q32 WeakPolarHBondContact O-CB 3.22Å; K29-Q32 PolarHBondContact O-N 3.16Å; S30-Q32 VanDerWaalsContact C-N 3.35Å; Q32-L34 VanDerWaalsContact C-N 3.34Å; Q32-L34 PolarHBondContact O-N 3.34Å; Q32-I35 PolarHBondContact O-N 3.08Å; Q32-T36 PolarHBondContact NE2-OG1 3.38Å; Q32-T36 PolarHBondContact O-N 2.9Å; Q32-T36 PolarHBondContact O-OG1 3.19Å; Q32-E66 PolarHBondContact NE2-OE1 3.47Å; Q32-E66 VanDerWaalsContact NE2-OE1 3.17Å; Q32-I69 HydrophobicContact CB-CD1 4.23Å; Q32-I69 HydrophobicContact CB-CG2 4.07Å |
| 33 | R | 98.7 | Very high | 98.1 | Very high | 116 Ų | 116 | 46.3 Ų | 46.3 | 44% | 0.438 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 176.2 | -74.5 | -168.7 | -53.8 | 117.9 | 1 | 112.4 | K29 S30 L31 I35 T36 E37 Y155 | K29-R33 WeakPolarHBondContact O-CG 3.44Å; K29-R33 PolarHBondContact O-N 2.98Å; S30-R33 WeakPolarHBondContact O-CB 3.38Å; S30-R33 PolarHBondContact O-N 2.92Å; S30-R33 PolarHBondContact OG-NH2 3.16Å; L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 2.93Å; R33-I35 VanDerWaalsContact C-N 3.32Å; R33-I35 PolarHBondContact O-N 3.39Å; R33-T36 PolarHBondContact O-N 3.13Å; R33-E37 WeakPolarHBondContact CB-OE1 3.46Å; R33-E37 IonicContact NH1-OE1 3.7Å; R33-E37 PolarHBondContact NH1-OE1 3.38Å; R33-E37 WeakPolarHBondContact O-CB 3.37Å; R33-E37 WeakPolarHBondContact O-CG 3.17Å; R33-E37 PolarHBondContact O-N 3.12Å; R33-Y155 HydrophobicContact CB-CD1 4.18Å; R33-Y155 HydrophobicContact CB-CE1 4.12Å |
| 34 | L | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.5 | -51.3 | 174.2 | -177.1 | 160.2 | 0 | 0 | 0 | 110.5 | S30 L31 Q32 R38 I42 W116 L151 L152 Y155 | S30-L34 PolarHBondContact O-N 3.38Å; L31-L34 HydrophobicContact CD1-CD1 4.47Å; L31-L34 WeakPolarHBondContact O-CB 3.47Å; L31-L34 PolarHBondContact O-N 2.84Å; Q32-L34 VanDerWaalsContact C-N 3.34Å; Q32-L34 PolarHBondContact O-N 3.34Å; L34-R38 WeakPolarHBondContact O-CB 3.36Å; L34-R38 WeakPolarHBondContact O-CG 3.2Å; L34-R38 PolarHBondContact O-N 3.5Å; L34-I42 HydrophobicContact CD2-CD1 4.39Å; L34-W116 HydrophobicContact CD2-CZ3 4.09Å; L34-L151 HydrophobicContact CD1-CB 4.04Å; L34-L151 HydrophobicContact CG-CB 4.42Å; L34-L152 HydrophobicContact CD1-CD1 4.07Å; L34-Y155 HydrophobicContact CB-CD1 3.83Å; L34-Y155 HydrophobicContact CB-CD2 3.84Å; L34-Y155 HydrophobicContact CB-CE1 4.19Å; L34-Y155 HydrophobicContact CB-CE2 4.2Å; L34-Y155 HydrophobicContact CB-CG 3.65Å; L34-Y155 HydrophobicContact CD1-CD2 3.77Å; L34-Y155 HydrophobicContact CD1-CE2 4.47Å; L34-Y155 HydrophobicContact CD1-CG 4.1Å; L34-Y155 HydrophobicContact CG-CD2 3.85Å; L34-Y155 HydrophobicContact CG-CE2 4.14Å; L34-Y155 HydrophobicContact CG-CG 4.17Å |
| 35 | I | 97.7 | Very high | 98 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.4 | -50.4 | -177.1 | -65.7 | 164 | 0 | 0 | 0 | 110.5 | L31 Q32 R33 Q39 L62 L65 E66 I69 | L31-I35 WeakPolarHBondContact O-CG1 3.41Å; L31-I35 PolarHBondContact O-N 3.25Å; L31-I35 VanDerWaalsContact O-N 3.13Å; Q32-I35 PolarHBondContact O-N 3.08Å; R33-I35 VanDerWaalsContact C-N 3.32Å; R33-I35 PolarHBondContact O-N 3.39Å; I35-Q39 WeakPolarHBondContact O-CA 3.36Å; I35-Q39 WeakPolarHBondContact O-CB 3.44Å; I35-Q39 PolarHBondContact O-N 2.92Å; I35-Q39 VanDerWaalsContact O-N 3.09Å; I35-L62 HydrophobicContact CG2-CB 4.17Å; I35-L62 HydrophobicContact CG2-CD2 4.35Å; I35-L65 HydrophobicContact CD1-CB 3.76Å; I35-L65 HydrophobicContact CD1-CD1 4.21Å; I35-E66 HydrophobicContact CG2-CG 3.97Å; I35-I69 HydrophobicContact CD1-CD1 3.7Å |
| 36 | T | 96.9 | Very high | 97.9 | Very high | 76 Ų | 76 | 47.3 Ų | 47.3 | 47% | 0.466 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -72 | -41.2 | -175.3 | -51.6 | 0 | 0 | 0 | 0 | 112.7 | Q32 R33 E66 | Q32-T36 PolarHBondContact NE2-OG1 3.38Å; Q32-T36 PolarHBondContact O-N 2.9Å; Q32-T36 PolarHBondContact O-OG1 3.19Å; R33-T36 PolarHBondContact O-N 3.13Å; T36-E66 PolarHBondContact OG1-OE1 3.45Å; T36-E66 VanDerWaalsContact OG1-OE1 3.13Å |
| 37 | E | 98.2 | Very high | 97.8 | Very high | 100 Ų | 100 | 45.7 Ų | 45.7 | 47% | 0.467 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -73.8 | -27.4 | -179.5 | -65.8 | 171.5 | -161.9 | 0 | 0 | 112.6 | R33 Y155 | R33-E37 WeakPolarHBondContact CB-OE1 3.46Å; R33-E37 IonicContact NH1-OE1 3.7Å; R33-E37 PolarHBondContact NH1-OE1 3.38Å; R33-E37 WeakPolarHBondContact O-CB 3.37Å; R33-E37 WeakPolarHBondContact O-CG 3.17Å; R33-E37 PolarHBondContact O-N 3.12Å; E37-Y155 WeakPolarHBondContact OE2-CE1 3.32Å; E37-Y155 PolarHBondContact OE2-OH 2.95Å |
| 38 | R | 97.7 | Very high | 97.7 | Very high | 74 Ų | 74 | 50.4 Ų | 50.4 | 28% | 0.279 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -113.1 | 12 | -172.9 | -52.5 | -67.6 | 173.5 | -178.6 | -1.5 | 113.9 | L34 G40 E41 I42 L151 Y155 | L34-R38 WeakPolarHBondContact O-CB 3.36Å; L34-R38 WeakPolarHBondContact O-CG 3.2Å; L34-R38 PolarHBondContact O-N 3.5Å; R38-G40 PolarHBondContact O-N 3.34Å; R38-G40 VanDerWaalsContact O-N 3.16Å; R38-E41 WeakPolarHBondContact CD-OE1 3.23Å; R38-E41 IonicContact CZ-OE1 3.72Å; R38-E41 IonicContact NE-OE1 3.14Å; R38-E41 IonicContact NH1-OE1 3.15Å; R38-E41 PolarHBondContact NH1-OE1 3.18Å; R38-E41 PolarHBondContact O-N 3.45Å; R38-I42 HydrophobicContact CB-CD1 4.4Å; R38-I42 WeakPolarHBondContact O-CG1 3Å; R38-I42 PolarHBondContact O-N 3.46Å; R38-L151 HydrophobicContact CB-CD1 3.85Å; R38-L151 HydrophobicContact CG-CD1 3.88Å; R38-L151 HydrophobicContact CG-CD2 4.19Å; R38-Y155 HydrophobicContact CG-CE2 4.35Å; R38-Y155 PolarHBondContact NE-OH 3.21Å |
| 39 | Q | 96.1 | Very high | 97.7 | Very high | 81 Ų | 81 | 51.1 Ų | 51.1 | 38% | 0.379 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -51.1 | -41.6 | -178.4 | 177.4 | 171.5 | -5.2 | 0 | 0 | 113.2 | I35 I42 A43 L62 | I35-Q39 WeakPolarHBondContact O-CA 3.36Å; I35-Q39 WeakPolarHBondContact O-CB 3.44Å; I35-Q39 PolarHBondContact O-N 2.92Å; I35-Q39 VanDerWaalsContact O-N 3.09Å; Q39-I42 PolarHBondContact O-N 2.98Å; Q39-A43 WeakPolarHBondContact O-CB 3.35Å; Q39-A43 PolarHBondContact O-N 3.33Å; Q39-L62 HydrophobicContact CB-CD1 4.37Å; Q39-L62 HydrophobicContact CG-CD1 3.71Å |
| 40 | G | 96.1 | Very high | 97.6 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 50% | 0.495 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64 | -44.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R38 I42 A43 I44 | R38-G40 PolarHBondContact O-N 3.34Å; R38-G40 VanDerWaalsContact O-N 3.16Å; G40-I42 VanDerWaalsContact C-N 3.33Å; G40-I42 PolarHBondContact O-N 3.1Å; G40-A43 PolarHBondContact O-N 3.07Å; G40-I44 WeakPolarHBondContact O-CG1 3.39Å; G40-I44 PolarHBondContact O-N 2.92Å; G40-I44 VanDerWaalsContact O-N 3.09Å |
| 41 | E | 97.8 | Very high | 97.5 | Very high | 76 Ų | 76 | 46.7 Ų | 46.7 | 36% | 0.355 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.9 | -39.4 | 177.1 | -63.5 | 176.8 | -123.4 | 0 | 0 | 111.1 | R38 I44 A45 L147 | R38-E41 WeakPolarHBondContact CD-OE1 3.23Å; R38-E41 IonicContact CZ-OE1 3.72Å; R38-E41 IonicContact NE-OE1 3.14Å; R38-E41 IonicContact NH1-OE1 3.15Å; R38-E41 PolarHBondContact NH1-OE1 3.18Å; R38-E41 PolarHBondContact O-N 3.45Å; E41-I44 PolarHBondContact O-N 3.26Å; E41-A45 PolarHBondContact O-N 3.48Å; E41-L147 HydrophobicContact CB-CD1 4.46Å; E41-L147 HydrophobicContact CB-CD2 3.96Å; E41-L147 WeakPolarHBondContact O-CD2 3.41Å |
| 42 | I | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 176.1 | -65.8 | 166.6 | 0 | 0 | 0 | 111.1 | L34 R38 Q39 G40 I44 A45 L46 L62 W116 L147 | L34-I42 HydrophobicContact CD2-CD1 4.39Å; R38-I42 HydrophobicContact CB-CD1 4.4Å; R38-I42 WeakPolarHBondContact O-CG1 3Å; R38-I42 PolarHBondContact O-N 3.46Å; Q39-I42 PolarHBondContact O-N 2.98Å; G40-I42 VanDerWaalsContact C-N 3.33Å; G40-I42 PolarHBondContact O-N 3.1Å; I42-I44 VanDerWaalsContact C-N 3.31Å; I42-I44 PolarHBondContact O-N 2.87Å; I42-A45 PolarHBondContact O-N 3.25Å; I42-L46 HydrophobicContact CG2-CD1 3.98Å; I42-L46 PolarHBondContact O-N 3.23Å; I42-L62 HydrophobicContact CG2-CD1 4.46Å; I42-L62 HydrophobicContact CG2-CD2 4.02Å; I42-W116 HydrophobicContact CB-CZ2 4.43Å; I42-W116 HydrophobicContact CD1-CD2 4.47Å; I42-W116 HydrophobicContact CD1-CE3 4.1Å; I42-W116 HydrophobicContact CD1-CH2 4.24Å; I42-W116 HydrophobicContact CD1-CZ3 3.97Å; I42-W116 HydrophobicContact CG1-CD2 4.27Å; I42-W116 HydrophobicContact CG1-CE3 4.25Å; I42-W116 HydrophobicContact CG1-CH2 3.76Å; I42-W116 HydrophobicContact CG1-CZ2 3.77Å; I42-W116 HydrophobicContact CG1-CZ3 4Å; I42-W116 HydrophobicContact CG2-CD2 3.86Å; I42-W116 HydrophobicContact CG2-CG 3.99Å; I42-W116 HydrophobicContact CG2-CZ2 4.28Å; I42-L147 HydrophobicContact CG1-CD2 4.33Å |
| 43 | A | 96.7 | Very high | 96.7 | Very high | 14 Ų | 14 | 45.7 Ų | 45.7 | 12% | 0.116 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -37.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q39 G40 L46 K47 T57 | Q39-A43 WeakPolarHBondContact O-CB 3.35Å; Q39-A43 PolarHBondContact O-N 3.33Å; G40-A43 PolarHBondContact O-N 3.07Å; A43-L46 PolarHBondContact O-N 2.59Å; A43-K47 WeakPolarHBondContact O-CB 3.04Å; A43-K47 PolarHBondContact O-N 3.37Å; A43-T57 HydrophobicContact CB-CG2 4.12Å |
| 44 | I | 97.3 | Very high | 96 | Very high | 105 Ų | 105 | 45.9 Ų | 45.9 | 54% | 0.538 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.1 | -48.1 | 174.4 | -68.4 | 164.5 | 0 | 0 | 0 | 110.5 | G40 E41 I42 L46 K47 Q48 | G40-I44 WeakPolarHBondContact O-CG1 3.39Å; G40-I44 PolarHBondContact O-N 2.92Å; G40-I44 VanDerWaalsContact O-N 3.09Å; E41-I44 PolarHBondContact O-N 3.26Å; I42-I44 VanDerWaalsContact C-N 3.31Å; I42-I44 PolarHBondContact O-N 2.87Å; I44-L46 VanDerWaalsContact C-N 3.34Å; I44-L46 PolarHBondContact O-N 3.5Å; I44-K47 WeakPolarHBondContact O-CB 3.48Å; I44-K47 PolarHBondContact O-N 3.14Å; I44-K47 VanDerWaalsContact O-N 3.16Å; I44-Q48 WeakPolarHBondContact O-CG 3.27Å; I44-Q48 PolarHBondContact O-N 3.26Å |
| 45 | A | 97.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E41 I42 K47 Q48 D49 H143 L147 | E41-A45 PolarHBondContact O-N 3.48Å; I42-A45 PolarHBondContact O-N 3.25Å; A45-K47 VanDerWaalsContact C-N 3.34Å; A45-K47 PolarHBondContact O-N 2.98Å; A45-Q48 PolarHBondContact O-N 3.3Å; A45-Q48 VanDerWaalsContact O-N 3.15Å; A45-D49 PolarHBondContact O-N 3.5Å; A45-H143 HydrophobicContact CB-CB 4.01Å; A45-L147 HydrophobicContact CB-CD2 3.97Å |
| 46 | L | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.5 | -32.5 | 176.5 | -75.8 | 168.9 | 0 | 0 | 0 | 113.3 | I42 A43 I44 Q48 L50 T57 E61 P115 | I42-L46 HydrophobicContact CG2-CD1 3.98Å; I42-L46 PolarHBondContact O-N 3.23Å; A43-L46 PolarHBondContact O-N 2.59Å; I44-L46 VanDerWaalsContact C-N 3.34Å; I44-L46 PolarHBondContact O-N 3.5Å; L46-Q48 VanDerWaalsContact C-N 3.31Å; L46-L50 HydrophobicContact CD2-CD1 4.27Å; L46-L50 PolarHBondContact O-N 3.3Å; L46-T57 HydrophobicContact CD1-CG2 3.44Å; L46-T57 VanDerWaalsContact CD1-CG2 3.44Å; L46-E61 WeakPolarHBondContact CD2-OE1 3.43Å; L46-P115 HydrophobicContact CD2-CG 3.58Å |
| 47 | K | 96.5 | Very high | 94.1 | Very high | 80 Ų | 80 | 52 Ų | 52 | 35% | 0.348 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 171.3 | -172.4 | 70.5 | -177.2 | 171.9 | 0 | 110.6 | A43 I44 A45 N51 R52 | A43-K47 WeakPolarHBondContact O-CB 3.04Å; A43-K47 PolarHBondContact O-N 3.37Å; I44-K47 WeakPolarHBondContact O-CB 3.48Å; I44-K47 PolarHBondContact O-N 3.14Å; I44-K47 VanDerWaalsContact O-N 3.16Å; A45-K47 VanDerWaalsContact C-N 3.34Å; A45-K47 PolarHBondContact O-N 2.98Å; K47-N51 WeakPolarHBondContact CE-OD1 3.39Å; K47-N51 PolarHBondContact NZ-O 2.97Å; K47-N51 PolarHBondContact NZ-OD1 3.26Å; K47-N51 WeakPolarHBondContact O-CA 3.48Å; K47-N51 PolarHBondContact O-N 2.99Å; K47-R52 WeakPolarHBondContact CD-O 3.44Å |
| 48 | Q | 97.4 | Very high | 93.6 | Very high | 111 Ų | 111 | 48.1 Ų | 48.1 | 52% | 0.519 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -71.1 | -41.4 | 178.2 | -65.2 | 172.3 | -58.2 | 0 | 0 | 112.2 | I44 A45 L46 H143 | I44-Q48 WeakPolarHBondContact O-CG 3.27Å; I44-Q48 PolarHBondContact O-N 3.26Å; A45-Q48 PolarHBondContact O-N 3.3Å; A45-Q48 VanDerWaalsContact O-N 3.15Å; L46-Q48 VanDerWaalsContact C-N 3.31Å; Q48-H143 HydrophobicContact CB-CB 4.2Å; Q48-H143 WeakPolarHBondContact CB-CD2 3.29Å; Q48-H143 PolarHBondContact OE1-ND1 3.17Å |
| 49 | D | 97.9 | Very high | 93 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 8% | 0.08 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.4 | -40.6 | -178 | -68.1 | -35.8 | 0 | 0 | 0 | 113.1 | A45 S141 E142 H143 S144 I284 | A45-D49 PolarHBondContact O-N 3.5Å; D49-S141 VanDerWaalsContact OD1-C 3.27Å; D49-S141 WeakPolarHBondContact OD1-CA 3.47Å; D49-S141 WeakPolarHBondContact OD2-CB 3.33Å; D49-E142 PolarHBondContact OD1-N 3.36Å; D49-H143 WeakPolarHBondContact OD1-CB 3.47Å; D49-H143 IonicContact OD1-CD2 3.43Å; D49-H143 PolarHBondContact OD1-CD2 3.34Å; D49-H143 IonicContact OD1-CG 2.61Å; D49-H143 PolarHBondContact OD1-N 2.93Å; D49-S144 WeakPolarHBondContact OD2-CB 3.46Å; D49-S144 PolarHBondContact OD2-N 2.79Å; D49-S144 PolarHBondContact OD2-OG 3.46Å; D49-I284 VanDerWaalsContact O-CD1 3.28Å; D49-I284 WeakPolarHBondContact O-CD1 3.32Å |
| 50 | L | 97.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -129.8 | 1.4 | -166.7 | -67.3 | 169.3 | 0 | 0 | 0 | 113.9 | L46 R52 W112 N113 G281 R282 I284 | L46-L50 HydrophobicContact CD2-CD1 4.27Å; L46-L50 PolarHBondContact O-N 3.3Å; L50-R52 HydrophobicContact CB-CB 4.44Å; L50-R52 PolarHBondContact O-N 3.4Å; L50-R52 VanDerWaalsContact O-N 3.17Å; L50-W112 HydrophobicContact CD2-CE3 4.35Å; L50-W112 HydrophobicContact CD2-CZ3 4.41Å; L50-N113 WeakPolarHBondContact CD1-O 3.22Å; L50-G281 WeakPolarHBondContact O-CA 2.97Å; L50-R282 PolarHBondContact O-N 2.77Å; L50-I284 HydrophobicContact CD2-CB 4.36Å; L50-I284 HydrophobicContact CD2-CD1 3.78Å; L50-I284 HydrophobicContact CG-CD1 4.42Å |
| 51 | N | 95.8 | Very high | 92.4 | Very high | 41 Ų | 41 | 45.6 Ų | 45.6 | 22% | 0.219 | 22% | 0.224 | C | C | . | . | trans | 55.1 | 23.3 | -169 | -165.8 | 48.6 | 0 | 0 | 0 | 113.8 | K47 Y280 R282 | K47-N51 WeakPolarHBondContact CE-OD1 3.39Å; K47-N51 PolarHBondContact NZ-O 2.97Å; K47-N51 PolarHBondContact NZ-OD1 3.26Å; K47-N51 WeakPolarHBondContact O-CA 3.48Å; K47-N51 PolarHBondContact O-N 2.99Å; N51-Y280 PolarHBondContact ND2-O 3.1Å; N51-R282 HydrophobicContact CB-CB 4.03Å; N51-R282 HydrophobicContact CB-CG 3.58Å; N51-R282 PolarHBondContact ND2-NH1 2.92Å | ||
| 52 | R | 92.6 | Very high | 92.3 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 3% | 0.03 | 21% | 0.207 | C | C | . | . | trans | -66.7 | 139.7 | -175.4 | -169.6 | 171 | -65.6 | 165.8 | 12.1 | 111.9 | K47 L50 D56 S60 E61 N113 N237 | K47-R52 WeakPolarHBondContact CD-O 3.44Å; L50-R52 HydrophobicContact CB-CB 4.44Å; L50-R52 PolarHBondContact O-N 3.4Å; L50-R52 VanDerWaalsContact O-N 3.17Å; R52-D56 HydrophobicContact CG-CB 3.95Å; R52-S60 WeakPolarHBondContact CD-OG 3.19Å; R52-S60 PolarHBondContact NH1-OG 3.17Å; R52-E61 IonicContact CZ-OE1 2.88Å; R52-E61 IonicContact NH1-OE1 2.85Å; R52-E61 PolarHBondContact NH1-OE1 2.92Å; R52-E61 IonicContact NH2-OE1 2.81Å; R52-N113 PolarHBondContact NH2-O 3.27Å; R52-N237 PolarHBondContact NH2-ND2 3.43Å; R52-N237 PolarHBondContact NH2-OD1 3.13Å | ||
| 53 | S | 89.3 | Confident | 92.2 | Very high | 9 Ų | 9 | 45.4 Ų | 45.4 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | trans | -61 | 145.6 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | Y55 D56 T57 D279 | S53-Y55 PolarHBondContact O-N 2.63Å; S53-D56 PolarHBondContact O-N 2.69Å; S53-T57 PolarHBondContact O-N 2.92Å; S53-T57 PolarHBondContact O-OG1 3.14Å; S53-D279 WeakPolarHBondContact CB-OD1 3.31Å; S53-D279 PolarHBondContact OG-OD1 3.11Å | ||
| 54 | Q | 83.1 | Confident | 92.1 | Very high | 119 Ų | 119 | 46.4 Ų | 46.4 | 56% | 0.556 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.6 | -32.4 | 177.6 | 68.1 | -178.9 | 6.4 | 0 | 0 | 111.7 | T57 | Q54-T57 WeakPolarHBondContact O-CB 3.34Å |
| 55 | Y | 84.4 | Confident | 92.1 | Very high | 168 Ų | 168 | 41.5 Ų | 41.5 | 66% | 0.659 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -75 | -40.9 | 179 | -61 | -68.9 | 0 | 0 | 0 | 111.2 | S53 T57 | S53-Y55 PolarHBondContact O-N 2.63Å; Y55-T57 VanDerWaalsContact C-N 3.26Å; Y55-T57 PolarHBondContact O-N 2.76Å |
| 56 | D | 82.8 | Confident | 92.1 | Very high | 39 Ų | 39 | 43.6 Ų | 43.6 | 21% | 0.209 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.5 | -30.1 | 174.8 | -74.6 | -19.4 | 0 | 0 | 0 | 112.6 | R52 S53 A58 L59 S60 | R52-D56 HydrophobicContact CG-CB 3.95Å; S53-D56 PolarHBondContact O-N 2.69Å; D56-A58 VanDerWaalsContact C-N 3.34Å; D56-A58 PolarHBondContact O-N 3.22Å; D56-L59 PolarHBondContact O-N 2.67Å; D56-S60 WeakPolarHBondContact O-CB 3.28Å; D56-S60 PolarHBondContact O-N 3.35Å; D56-S60 PolarHBondContact O-OG 2.83Å |
| 57 | T | 86.1 | Confident | 92 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56 | -47.8 | -179.5 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | A43 L46 S53 Q54 Y55 S60 E61 L62 | A43-T57 HydrophobicContact CB-CG2 4.12Å; L46-T57 HydrophobicContact CD1-CG2 3.44Å; L46-T57 VanDerWaalsContact CD1-CG2 3.44Å; S53-T57 PolarHBondContact O-N 2.92Å; S53-T57 PolarHBondContact O-OG1 3.14Å; Q54-T57 WeakPolarHBondContact O-CB 3.34Å; Y55-T57 VanDerWaalsContact C-N 3.26Å; Y55-T57 PolarHBondContact O-N 2.76Å; T57-S60 WeakPolarHBondContact CA-OG 3.36Å; T57-S60 PolarHBondContact O-N 3.36Å; T57-S60 PolarHBondContact O-OG 2.97Å; T57-S60 VanDerWaalsContact O-OG 3.12Å; T57-E61 PolarHBondContact O-N 3.07Å; T57-E61 VanDerWaalsContact O-N 3.12Å; T57-L62 HydrophobicContact CG2-CD1 4.06Å; T57-L62 HydrophobicContact CG2-CG 4.29Å |
| 58 | A | 86.8 | Confident | 92.1 | Very high | 17 Ų | 17 | 44.2 Ų | 44.2 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -65.3 | -45.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D56 L62 I63 | D56-A58 VanDerWaalsContact C-N 3.34Å; D56-A58 PolarHBondContact O-N 3.22Å; A58-L62 PolarHBondContact O-N 3.11Å; A58-I63 HydrophobicContact CB-CD1 4.33Å; A58-I63 WeakPolarHBondContact O-CG1 3.23Å; A58-I63 PolarHBondContact O-N 2.83Å |
| 59 | L | 87.1 | Confident | 92.1 | Very high | 128 Ų | 128 | 39 Ų | 39 | 67% | 0.67 | 20% | 0.203 | S | C | * | . | I | π-helix | trans | -67.5 | -35.4 | 179.8 | -67.1 | 171.5 | 0 | 0 | 0 | 112.7 | D56 I63 | D56-L59 PolarHBondContact O-N 2.67Å; L59-I63 HydrophobicContact CD2-CD1 4.03Å |
| 60 | S | 86.5 | Confident | 92.2 | Very high | 20 Ų | 20 | 41.8 Ų | 41.8 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -80.7 | -38.7 | -174.1 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | R52 D56 T57 F236 | R52-S60 WeakPolarHBondContact CD-OG 3.19Å; R52-S60 PolarHBondContact NH1-OG 3.17Å; D56-S60 WeakPolarHBondContact O-CB 3.28Å; D56-S60 PolarHBondContact O-N 3.35Å; D56-S60 PolarHBondContact O-OG 2.83Å; T57-S60 WeakPolarHBondContact CA-OG 3.36Å; T57-S60 PolarHBondContact O-N 3.36Å; T57-S60 PolarHBondContact O-OG 2.97Å; T57-S60 VanDerWaalsContact O-OG 3.12Å; S60-F236 VanDerWaalsContact CB-CZ 3.47Å |
| 61 | E | 93.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -131 | -40.6 | -171 | -65.6 | -167.9 | -116.7 | 0 | 0 | 114.2 | L46 R52 T57 L65 Y114 W116 A117 | L46-E61 WeakPolarHBondContact CD2-OE1 3.43Å; R52-E61 IonicContact CZ-OE1 2.88Å; R52-E61 IonicContact NH1-OE1 2.85Å; R52-E61 PolarHBondContact NH1-OE1 2.92Å; R52-E61 IonicContact NH2-OE1 2.81Å; T57-E61 PolarHBondContact O-N 3.07Å; T57-E61 VanDerWaalsContact O-N 3.12Å; E61-L65 WeakPolarHBondContact O-CD1 3.49Å; E61-L65 VanDerWaalsContact O-CG 3.3Å; E61-L65 WeakPolarHBondContact O-CG 3.48Å; E61-Y114 HydrophobicContact CG-CD1 3.71Å; E61-Y114 HydrophobicContact CG-CG 4.37Å; E61-Y114 VanDerWaalsContact OE2-CA 3.26Å; E61-Y114 WeakPolarHBondContact OE2-CA 3.43Å; E61-W116 WeakPolarHBondContact OE2-CA 3.42Å; E61-W116 WeakPolarHBondContact OE2-CB 3.38Å; E61-W116 PolarHBondContact OE2-N 2.83Å; E61-A117 HydrophobicContact CB-CB 4.04Å; E61-A117 HydrophobicContact CG-CB 3.93Å; E61-A117 PolarHBondContact OE2-N 2.76Å |
| 62 | L | 95.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -82.5 | -49.1 | -164.7 | -52.2 | -174.8 | 0 | 0 | 0 | 112.9 | I35 Q39 I42 T57 A58 G64 L65 E66 | I35-L62 HydrophobicContact CG2-CB 4.17Å; I35-L62 HydrophobicContact CG2-CD2 4.35Å; Q39-L62 HydrophobicContact CB-CD1 4.37Å; Q39-L62 HydrophobicContact CG-CD1 3.71Å; I42-L62 HydrophobicContact CG2-CD1 4.46Å; I42-L62 HydrophobicContact CG2-CD2 4.02Å; T57-L62 HydrophobicContact CG2-CD1 4.06Å; T57-L62 HydrophobicContact CG2-CG 4.29Å; A58-L62 PolarHBondContact O-N 3.11Å; L62-G64 PolarHBondContact O-N 2.85Å; L62-L65 WeakPolarHBondContact O-CA 3.39Å; L62-L65 WeakPolarHBondContact O-CB 3.47Å; L62-L65 PolarHBondContact O-N 2.81Å; L62-E66 WeakPolarHBondContact O-CG 3.46Å; L62-E66 PolarHBondContact O-N 3.46Å |
| 63 | I | 94.4 | Very high | 92.6 | Very high | 69 Ų | 69 | 44 Ų | 44 | 35% | 0.354 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.5 | -37.9 | -177.4 | -70.1 | 167.3 | 0 | 0 | 0 | 111.1 | A58 L59 L65 E66 N67 | A58-I63 HydrophobicContact CB-CD1 4.33Å; A58-I63 WeakPolarHBondContact O-CG1 3.23Å; A58-I63 PolarHBondContact O-N 2.83Å; L59-I63 HydrophobicContact CD2-CD1 4.03Å; I63-L65 PolarHBondContact O-N 3.45Å; I63-E66 PolarHBondContact O-N 3.34Å; I63-N67 WeakPolarHBondContact O-CB 3.36Å; I63-N67 VanDerWaalsContact O-CG 3.25Å; I63-N67 PolarHBondContact O-N 3.28Å; I63-N67 PolarHBondContact O-ND2 3Å |
| 64 | G | 94.8 | Very high | 93.1 | Very high | 36 Ų | 36 | 46.2 Ų | 46.2 | 37% | 0.371 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L62 N67 E68 | L62-G64 PolarHBondContact O-N 2.85Å; G64-N67 PolarHBondContact O-N 2.92Å; G64-E68 WeakPolarHBondContact O-CB 3.24Å; G64-E68 PolarHBondContact O-N 3.42Å |
| 65 | L | 97.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 176.8 | -66.5 | 170.5 | 0 | 0 | 0 | 112.1 | I35 E61 L62 I63 N67 E68 I69 L120 Q121 I124 | I35-L65 HydrophobicContact CD1-CB 3.76Å; I35-L65 HydrophobicContact CD1-CD1 4.21Å; E61-L65 WeakPolarHBondContact O-CD1 3.49Å; E61-L65 VanDerWaalsContact O-CG 3.3Å; E61-L65 WeakPolarHBondContact O-CG 3.48Å; L62-L65 WeakPolarHBondContact O-CA 3.39Å; L62-L65 WeakPolarHBondContact O-CB 3.47Å; L62-L65 PolarHBondContact O-N 2.81Å; I63-L65 PolarHBondContact O-N 3.45Å; L65-N67 VanDerWaalsContact C-N 3.33Å; L65-N67 PolarHBondContact O-N 3.23Å; L65-E68 PolarHBondContact O-N 3.33Å; L65-I69 VanDerWaalsContact O-CG1 3.29Å; L65-I69 WeakPolarHBondContact O-CG1 3.36Å; L65-I69 PolarHBondContact O-N 2.76Å; L65-L120 HydrophobicContact CD1-CB 4.02Å; L65-L120 HydrophobicContact CD1-CD1 4.02Å; L65-L120 HydrophobicContact CD2-CB 3.75Å; L65-Q121 HydrophobicContact CD2-CB 3.79Å; L65-Q121 HydrophobicContact CD2-CG 4.47Å; L65-I124 HydrophobicContact CB-CD1 4.37Å; L65-I124 HydrophobicContact CD2-CD1 3.73Å |
| 66 | E | 97.3 | Very high | 94.5 | Very high | 48 Ų | 48 | 37 Ų | 37 | 22% | 0.224 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 178.1 | -58 | -168.3 | 143.9 | 0 | 0 | 111.7 | Q32 I35 T36 L62 I63 I69 S70 | Q32-E66 PolarHBondContact NE2-OE1 3.47Å; Q32-E66 VanDerWaalsContact NE2-OE1 3.17Å; I35-E66 HydrophobicContact CG2-CG 3.97Å; T36-E66 PolarHBondContact OG1-OE1 3.45Å; T36-E66 VanDerWaalsContact OG1-OE1 3.13Å; L62-E66 WeakPolarHBondContact O-CG 3.46Å; L62-E66 PolarHBondContact O-N 3.46Å; I63-E66 PolarHBondContact O-N 3.34Å; E66-I69 PolarHBondContact O-N 2.7Å; E66-S70 VanDerWaalsContact O-CB 3.31Å; E66-S70 WeakPolarHBondContact O-CB 3.35Å; E66-S70 PolarHBondContact O-N 2.6Å; E66-S70 PolarHBondContact O-OG 3.34Å |
| 67 | N | 96.8 | Very high | 95.2 | Very high | 90 Ų | 90 | 39 Ų | 39 | 48% | 0.481 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.9 | -41.4 | 175.4 | -72.7 | -26.3 | 0 | 0 | 0 | 111.9 | I63 G64 L65 S70 L71 | I63-N67 WeakPolarHBondContact O-CB 3.36Å; I63-N67 VanDerWaalsContact O-CG 3.25Å; I63-N67 PolarHBondContact O-N 3.28Å; I63-N67 PolarHBondContact O-ND2 3Å; G64-N67 PolarHBondContact O-N 2.92Å; L65-N67 VanDerWaalsContact C-N 3.33Å; L65-N67 PolarHBondContact O-N 3.23Å; N67-S70 PolarHBondContact O-N 2.83Å; N67-L71 VanDerWaalsContact O-CB 3.29Å; N67-L71 WeakPolarHBondContact O-CB 3.38Å; N67-L71 PolarHBondContact O-N 3.4Å |
| 68 | E | 97.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 177.2 | -172.2 | 80.1 | 152.8 | 0 | 0 | 111.5 | G64 L65 L71 A72 Q121 I124 N396 H412 G413 | G64-E68 WeakPolarHBondContact O-CB 3.24Å; G64-E68 PolarHBondContact O-N 3.42Å; L65-E68 PolarHBondContact O-N 3.33Å; E68-L71 PolarHBondContact O-N 3.47Å; E68-A72 WeakPolarHBondContact O-CB 3.25Å; E68-A72 PolarHBondContact O-N 2.92Å; E68-Q121 HydrophobicContact CG-CG 4.15Å; E68-I124 HydrophobicContact CB-CD1 4.21Å; E68-I124 HydrophobicContact CG-CB 4.39Å; E68-I124 HydrophobicContact CG-CD1 4.19Å; E68-I124 HydrophobicContact CG-CG2 3.82Å; E68-N396 PolarHBondContact OE2-ND2 3Å; E68-H412 WeakPolarHBondContact OE1-CA 3.49Å; E68-G413 VanDerWaalsContact CD-N 3.32Å; E68-G413 PolarHBondContact OE1-N 2.94Å; E68-G413 PolarHBondContact OE2-N 3.15Å |
| 69 | I | 98.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.3 | -48.2 | 174.8 | -69.1 | 164.4 | 0 | 0 | 0 | 110.5 | L28 L31 Q32 I35 L65 E66 L71 A72 V73 I124 | L28-I69 HydrophobicContact CB-CG2 4.21Å; L28-I69 WeakPolarHBondContact O-CG2 3.45Å; L31-I69 HydrophobicContact CB-CD1 4.24Å; L31-I69 HydrophobicContact CD2-CD1 4.26Å; L31-I69 HydrophobicContact CG-CD1 4.05Å; Q32-I69 HydrophobicContact CB-CD1 4.23Å; Q32-I69 HydrophobicContact CB-CG2 4.07Å; I35-I69 HydrophobicContact CD1-CD1 3.7Å; L65-I69 VanDerWaalsContact O-CG1 3.29Å; L65-I69 WeakPolarHBondContact O-CG1 3.36Å; L65-I69 PolarHBondContact O-N 2.76Å; E66-I69 PolarHBondContact O-N 2.7Å; I69-L71 VanDerWaalsContact C-N 3.31Å; I69-L71 PolarHBondContact O-N 3.03Å; I69-A72 PolarHBondContact O-N 3.07Å; I69-V73 HydrophobicContact CG2-CG2 4.24Å; I69-V73 WeakPolarHBondContact O-CB 3.46Å; I69-V73 WeakPolarHBondContact O-CG2 3.36Å; I69-V73 PolarHBondContact O-N 3.1Å; I69-I124 HydrophobicContact CD1-CD1 4.04Å; I69-I124 HydrophobicContact CD1-CG1 4.34Å; I69-I124 HydrophobicContact CG1-CD1 3.52Å; I69-I124 HydrophobicContact CG1-CG1 3.7Å; I69-I124 HydrophobicContact CG1-CG2 4.3Å |
| 70 | S | 98.4 | Very high | 96.9 | Very high | 72 Ų | 72 | 39.6 Ų | 39.6 | 50% | 0.503 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.2 | -43.1 | -179.9 | -64.6 | 0 | 0 | 0 | 0 | 111.5 | E66 N67 G74 | E66-S70 VanDerWaalsContact O-CB 3.31Å; E66-S70 WeakPolarHBondContact O-CB 3.35Å; E66-S70 PolarHBondContact O-N 2.6Å; E66-S70 PolarHBondContact O-OG 3.34Å; N67-S70 PolarHBondContact O-N 2.83Å; S70-G74 PolarHBondContact O-N 2.91Å |
| 71 | L | 98.5 | Very high | 97.5 | Very high | 53 Ų | 53 | 40.6 Ų | 40.6 | 28% | 0.277 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.1 | -50 | 174.4 | 176.8 | 64.3 | 0 | 0 | 0 | 111.3 | N67 E68 I69 V73 G74 K75 W79 N396 | N67-L71 VanDerWaalsContact O-CB 3.29Å; N67-L71 WeakPolarHBondContact O-CB 3.38Å; N67-L71 PolarHBondContact O-N 3.4Å; E68-L71 PolarHBondContact O-N 3.47Å; I69-L71 VanDerWaalsContact C-N 3.31Å; I69-L71 PolarHBondContact O-N 3.03Å; L71-V73 PolarHBondContact O-N 2.73Å; L71-G74 PolarHBondContact O-N 2.97Å; L71-K75 HydrophobicContact CD1-CG 3.78Å; L71-K75 WeakPolarHBondContact O-CB 3.43Å; L71-K75 WeakPolarHBondContact O-CG 3.15Å; L71-K75 PolarHBondContact O-N 2.84Å; L71-W79 HydrophobicContact CD1-CZ2 4.45Å; L71-W79 HydrophobicContact CD2-CH2 4.33Å; L71-W79 HydrophobicContact CD2-CZ2 4.4Å; L71-W79 HydrophobicContact CG-CH2 3.99Å; L71-W79 HydrophobicContact CG-CZ2 4.06Å; L71-N396 HydrophobicContact CD2-CB 3.46Å; L71-N396 VanDerWaalsContact CD2-CB 3.46Å |
| 72 | A | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 3% | 0.025 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.2 | -49.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111 | L28 E68 I69 G74 K75 L76 W79 I124 A128 | L28-A72 HydrophobicContact CD1-CB 3.98Å; E68-A72 WeakPolarHBondContact O-CB 3.25Å; E68-A72 PolarHBondContact O-N 2.92Å; I69-A72 PolarHBondContact O-N 3.07Å; A72-G74 VanDerWaalsContact C-N 3.32Å; A72-G74 PolarHBondContact O-N 2.93Å; A72-K75 PolarHBondContact O-N 2.89Å; A72-L76 WeakPolarHBondContact O-CA 3.13Å; A72-L76 WeakPolarHBondContact O-CB 3.44Å; A72-L76 PolarHBondContact O-N 3.39Å; A72-W79 HydrophobicContact CB-CH2 4.39Å; A72-W79 HydrophobicContact CB-CZ3 3.98Å; A72-I124 HydrophobicContact CB-CG2 4.22Å; A72-A128 HydrophobicContact CB-CB 4.43Å |
| 73 | V | 98.8 | Very high | 97.9 | Very high | 41 Ų | 41 | 46.8 Ų | 46.8 | 25% | 0.248 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.2 | -43.6 | 176.9 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | V25 L28 K29 I69 L71 K75 | V25-V73 HydrophobicContact CG1-CG1 4.14Å; V25-V73 HydrophobicContact CG1-CG2 4.49Å; L28-V73 HydrophobicContact CB-CG2 3.85Å; L28-V73 HydrophobicContact CD1-CG2 4.09Å; K29-V73 HydrophobicContact CG-CG2 4.47Å; I69-V73 HydrophobicContact CG2-CG2 4.24Å; I69-V73 WeakPolarHBondContact O-CB 3.46Å; I69-V73 WeakPolarHBondContact O-CG2 3.36Å; I69-V73 PolarHBondContact O-N 3.1Å; L71-V73 PolarHBondContact O-N 2.73Å; V73-K75 VanDerWaalsContact C-N 3.35Å; V73-K75 PolarHBondContact O-N 2.81Å |
| 74 | G | 98.5 | Very high | 97.9 | Very high | 55 Ų | 55 | 50.5 Ų | 50.5 | 57% | 0.567 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -71.7 | -23.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | S70 L71 A72 | S70-G74 PolarHBondContact O-N 2.91Å; L71-G74 PolarHBondContact O-N 2.97Å; A72-G74 VanDerWaalsContact C-N 3.32Å; A72-G74 PolarHBondContact O-N 2.93Å |
| 75 | K | 98.6 | Very high | 97.8 | Very high | 90 Ų | 90 | 51.5 Ų | 51.5 | 39% | 0.391 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -116.3 | -8.2 | -173.6 | -63.7 | -63.5 | -171.7 | 179.6 | 0 | 115 | L71 A72 V73 S77 Q78 W79 | L71-K75 HydrophobicContact CD1-CG 3.78Å; L71-K75 WeakPolarHBondContact O-CB 3.43Å; L71-K75 WeakPolarHBondContact O-CG 3.15Å; L71-K75 PolarHBondContact O-N 2.84Å; A72-K75 PolarHBondContact O-N 2.89Å; V73-K75 VanDerWaalsContact C-N 3.35Å; V73-K75 PolarHBondContact O-N 2.81Å; K75-S77 VanDerWaalsContact C-N 3.32Å; K75-S77 PolarHBondContact O-N 3.22Å; K75-Q78 WeakPolarHBondContact O-CA 3.48Å; K75-Q78 WeakPolarHBondContact O-CB 3.39Å; K75-Q78 PolarHBondContact O-N 3.33Å; K75-W79 HydrophobicContact CB-CD2 3.92Å; K75-W79 HydrophobicContact CB-CG 4.32Å; K75-W79 HydrophobicContact CB-CH2 4.29Å; K75-W79 HydrophobicContact CB-CZ2 3.58Å; K75-W79 HydrophobicContact CG-CZ2 4.14Å; K75-W79 PolarHBondContact O-N 3.23Å |
| 76 | L | 98.5 | Very high | 97.5 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.2 | -42 | -171.8 | 177.3 | 60.3 | 0 | 0 | 0 | 113.5 | L21 R24 V25 A72 Q78 W79 A80 A128 F417 | L21-L76 HydrophobicContact CB-CD2 4.49Å; L21-L76 HydrophobicContact CD2-CD1 4.37Å; L21-L76 HydrophobicContact CD2-CD2 4.35Å; L21-L76 HydrophobicContact CD2-CG 4.12Å; R24-L76 HydrophobicContact CB-CD2 3.81Å; V25-L76 HydrophobicContact CG2-CD2 3.87Å; A72-L76 WeakPolarHBondContact O-CA 3.13Å; A72-L76 WeakPolarHBondContact O-CB 3.44Å; A72-L76 PolarHBondContact O-N 3.39Å; L76-Q78 VanDerWaalsContact C-N 3.31Å; L76-Q78 PolarHBondContact O-N 2.99Å; L76-W79 PolarHBondContact O-N 3.48Å; L76-A80 WeakPolarHBondContact O-CB 3.33Å; L76-A80 PolarHBondContact O-N 3.23Å; L76-A128 HydrophobicContact CD1-CB 4.21Å; L76-A128 WeakPolarHBondContact CD1-O 3.41Å; L76-F417 HydrophobicContact CD1-CD2 4.24Å; L76-F417 HydrophobicContact CD1-CE2 3.86Å |
| 77 | S | 98.4 | Very high | 97.1 | Very high | 81 Ų | 81 | 62.7 Ų | 62.7 | 57% | 0.566 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61 | -40.6 | 177.4 | 57 | 0 | 0 | 0 | 0 | 112.3 | K75 A81 | K75-S77 VanDerWaalsContact C-N 3.32Å; K75-S77 PolarHBondContact O-N 3.22Å; S77-A81 PolarHBondContact O-N 2.96Å |
| 78 | Q | 98.6 | Very high | 96.5 | Very high | 124 Ų | 124 | 61.1 Ų | 61.1 | 58% | 0.579 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67.8 | -42.4 | 175.1 | -176.7 | -174.9 | 1.3 | 0 | 0 | 111.3 | K75 L76 A81 | K75-Q78 WeakPolarHBondContact O-CA 3.48Å; K75-Q78 WeakPolarHBondContact O-CB 3.39Å; K75-Q78 PolarHBondContact O-N 3.33Å; L76-Q78 VanDerWaalsContact C-N 3.31Å; L76-Q78 PolarHBondContact O-N 2.99Å; Q78-A81 PolarHBondContact O-N 3.13Å |
| 79 | W | 98.6 | Very high | 95.7 | Very high | 16 Ų | 16 | 65.1 Ų | 65.1 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.8 | -38 | -177.4 | -67 | -10.1 | 0 | 0 | 0 | 113 | L71 A72 K75 L76 R83 K414 F417 | L71-W79 HydrophobicContact CD1-CZ2 4.45Å; L71-W79 HydrophobicContact CD2-CH2 4.33Å; L71-W79 HydrophobicContact CD2-CZ2 4.4Å; L71-W79 HydrophobicContact CG-CH2 3.99Å; L71-W79 HydrophobicContact CG-CZ2 4.06Å; A72-W79 HydrophobicContact CB-CH2 4.39Å; A72-W79 HydrophobicContact CB-CZ3 3.98Å; K75-W79 HydrophobicContact CB-CD2 3.92Å; K75-W79 HydrophobicContact CB-CG 4.32Å; K75-W79 HydrophobicContact CB-CH2 4.29Å; K75-W79 HydrophobicContact CB-CZ2 3.58Å; K75-W79 HydrophobicContact CG-CZ2 4.14Å; K75-W79 PolarHBondContact O-N 3.23Å; L76-W79 PolarHBondContact O-N 3.48Å; W79-R83 PolarHBondContact O-NH2 2.96Å; W79-R83 VanDerWaalsContact O-NH2 3.1Å; W79-K414 HydrophobicContact CD2-CB 4.39Å; W79-K414 HydrophobicContact CD2-CG 4.27Å; W79-K414 HydrophobicContact CG-CG 4.23Å; W79-K414 HydrophobicContact CZ2-CB 3.84Å; W79-F417 HydrophobicContact CB-CD1 3.86Å; W79-F417 HydrophobicContact CB-CD2 4.2Å; W79-F417 HydrophobicContact CB-CE1 3.84Å; W79-F417 HydrophobicContact CB-CE2 4.16Å; W79-F417 HydrophobicContact CB-CG 4.06Å; W79-F417 HydrophobicContact CB-CZ 4Å; W79-F417 HydrophobicContact CD2-CB 4.45Å; W79-F417 HydrophobicContact CD2-CG 4.45Å; W79-F417 HydrophobicContact CE3-CB 3.8Å; W79-F417 HydrophobicContact CE3-CD2 4.04Å; W79-F417 AromaticContact CE3-CG 3.95Å; W79-F417 HydrophobicContact CE3-CG 3.95Å; W79-F417 HydrophobicContact CZ3-CB 4.23Å; W79-F417 VanDerWaalsContact O-CE1 3.24Å; W79-F417 WeakPolarHBondContact O-CE1 3.22Å |
| 80 | A | 98.6 | Very high | 94.8 | Very high | 20 Ų | 20 | 70.5 Ų | 70.5 | 17% | 0.165 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -82.9 | -10.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L21 L76 F417 | L21-A80 HydrophobicContact CD1-CB 4.26Å; L21-A80 HydrophobicContact CD2-CB 3.68Å; L76-A80 WeakPolarHBondContact O-CB 3.33Å; L76-A80 PolarHBondContact O-N 3.23Å; A80-F417 HydrophobicContact CB-CZ 4.14Å |
| 81 | A | 98.4 | Very high | 94.3 | Very high | 40 Ų | 40 | 68.2 Ų | 68.2 | 33% | 0.331 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -67.1 | 149.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S77 Q78 R83 | S77-A81 PolarHBondContact O-N 2.96Å; Q78-A81 PolarHBondContact O-N 3.13Å; A81-R83 PolarHBondContact O-N 3.36Å |
| 82 | P | 98.1 | Very high | 93.7 | Very high | 70 Ų | 70 | 69.9 Ų | 69.9 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | trans | -54.7 | 135.3 | 169 | -23.4 | 32.3 | 0 | 0 | 0 | 112 | Y97 L99 | P82-Y97 HydrophobicContact CB-CD2 3.83Å; P82-Y97 HydrophobicContact CB-CE2 4.45Å; P82-Y97 HydrophobicContact CB-CG 4.21Å; P82-L99 HydrophobicContact CG-CD1 4.08Å | ||
| 83 | R | 97.6 | Very high | 93.3 | Very high | 65 Ų | 65 | 74.3 Ų | 74.3 | 25% | 0.245 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 105.1 | -179.5 | -53.1 | 175.3 | -170.3 | 174.8 | 2.7 | 109 | W79 A81 Y97 I98 D418 H423 | W79-R83 PolarHBondContact O-NH2 2.96Å; W79-R83 VanDerWaalsContact O-NH2 3.1Å; A81-R83 PolarHBondContact O-N 3.36Å; R83-Y97 CarbonylContact O-C 3.59Å; R83-Y97 VanDerWaalsContact O-CA 3.23Å; R83-Y97 WeakPolarHBondContact O-CA 3.48Å; R83-I98 HydrophobicContact CB-CB 4.32Å; R83-I98 PolarHBondContact N-O 3.26Å; R83-I98 PolarHBondContact O-N 2.86Å; R83-D418 IonicContact CZ-OD1 2.66Å; R83-D418 IonicContact NH1-OD1 3.16Å; R83-D418 PolarHBondContact NH1-OD1 3.36Å; R83-D418 IonicContact NH1-OD2 3.83Å; R83-D418 IonicContact NH2-OD1 3.72Å; R83-D418 PolarHBondContact NH2-OD1 3.19Å; R83-H423 VanDerWaalsContact CZ-CE1 3.41Å; R83-H423 PolarHBondContact NH1-CE1 3.29Å; R83-H423 PolarHBondContact NH2-CE1 3.49Å |
| 84 | H | 94.5 | Very high | 92.9 | Very high | 147 Ų | 147 | 72.6 Ų | 72.6 | 68% | 0.681 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 137.6 | 176.2 | -72.2 | -70.7 | 0 | 0 | 0 | 111.2 | V96 | H84-V96 PolarHBondContact ND1-O 2.95Å; H84-V96 VanDerWaalsContact ND1-O 3.11Å |
| 85 | V | 93.7 | Very high | 92.8 | Very high | 58 Ų | 58 | 75.6 Ų | 75.6 | 35% | 0.352 | 39% | 0.392 | S | S | . | . | trans | -114.6 | 166.1 | -178.7 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | V96 I98 | V85-V96 HydrophobicContact CG2-CB 4.07Å; V85-V96 HydrophobicContact CG2-CG1 3.41Å; V85-V96 VanDerWaalsContact CG2-CG1 3.41Å; V85-I98 HydrophobicContact CG1-CD1 3.59Å; V85-I98 HydrophobicContact CG1-CG1 3.84Å | ||
| 86 | E | 91.9 | Very high | 92.7 | Very high | 189 Ų | 189 | 72.3 Ų | 72.3 | 88% | 0.883 | 38% | 0.379 | S | S | * | . | trans | -62 | 143.1 | 172.9 | -63.6 | -171.5 | 160.8 | 0 | 0 | 111 | ||||
| 87 | K | 88.9 | Confident | 92.7 | Very high | 94 Ų | 94 | 74.5 Ų | 74.5 | 41% | 0.409 | 39% | 0.388 | S | S | . | . | trans | -110.8 | 155.4 | -179.7 | -55.5 | -178.7 | -168.5 | 179.4 | 0 | 108.6 | T91 L92 D94 V96 | K87-T91 WeakPolarHBondContact CD-O 3.16Å; K87-L92 WeakPolarHBondContact CD-O 3.31Å; K87-L92 PolarHBondContact NZ-O 2.68Å; K87-D94 WeakPolarHBondContact CE-O 3.23Å; K87-D94 PolarHBondContact NZ-O 3.41Å; K87-V96 HydrophobicContact CD-CG2 4.1Å; K87-V96 HydrophobicContact CG-CB 4.26Å; K87-V96 HydrophobicContact CG-CG2 3.87Å | ||
| 88 | N | 83.3 | Confident | 92.7 | Very high | 58 Ų | 58 | 73.1 Ų | 73.1 | 31% | 0.31 | 37% | 0.373 | S | S | . | . | trans | -105 | 177 | 169.4 | 63.9 | 46.4 | 0 | 0 | 0 | 110 | M90 T91 L92 | N88-M90 PolarHBondContact O-N 3.44Å; N88-M90 VanDerWaalsContact O-N 3.14Å; N88-M90 WeakPolarHBondContact OD1-CA 3.29Å; N88-M90 WeakPolarHBondContact OD1-CB 3.4Å; N88-M90 PolarHBondContact OD1-N 3.48Å; N88-T91 PolarHBondContact N-OG1 3.25Å; N88-T91 CarbonylContact O-C 3.51Å; N88-T91 PolarHBondContact O-N 2.94Å; N88-T91 PolarHBondContact O-OG1 2.85Å; N88-T91 PolarHBondContact OD1-N 2.9Å; N88-T91 PolarHBondContact OD1-OG1 3.35Å; N88-L92 PolarHBondContact O-N 3.39Å | ||
| 89 | I | 81 | Confident | 92.7 | Very high | 86 Ų | 86 | 69.3 Ų | 69.3 | 44% | 0.441 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -29.8 | -176.8 | -157.8 | 165.5 | 0 | 0 | 0 | 113.1 | T91 | I89-T91 VanDerWaalsContact C-N 3.3Å; I89-T91 PolarHBondContact O-N 3.21Å |
| 90 | M | 80.1 | Confident | 92.7 | Very high | 117 Ų | 117 | 69.2 Ų | 69.2 | 58% | 0.576 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -18.5 | 179.5 | -58.5 | -176.2 | -72.5 | 0 | 0 | 112.8 | N88 | N88-M90 PolarHBondContact O-N 3.44Å; N88-M90 VanDerWaalsContact O-N 3.14Å; N88-M90 WeakPolarHBondContact OD1-CA 3.29Å; N88-M90 WeakPolarHBondContact OD1-CB 3.4Å; N88-M90 PolarHBondContact OD1-N 3.48Å |
| 91 | T | 87.9 | Confident | 92.7 | Very high | 23 Ų | 23 | 70.8 Ų | 70.8 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 7.9 | -176.4 | 60.6 | 0 | 0 | 0 | 0 | 113.8 | K87 N88 I89 T93 D94 L427 | K87-T91 WeakPolarHBondContact CD-O 3.16Å; N88-T91 PolarHBondContact N-OG1 3.25Å; N88-T91 CarbonylContact O-C 3.51Å; N88-T91 PolarHBondContact O-N 2.94Å; N88-T91 PolarHBondContact O-OG1 2.85Å; N88-T91 PolarHBondContact OD1-N 2.9Å; N88-T91 PolarHBondContact OD1-OG1 3.35Å; I89-T91 VanDerWaalsContact C-N 3.3Å; I89-T91 PolarHBondContact O-N 3.21Å; T91-T93 VanDerWaalsContact C-N 3.26Å; T91-T93 PolarHBondContact O-N 3.2Å; T91-T93 VanDerWaalsContact O-N 3.14Å; T91-D94 VanDerWaalsContact CA-OD2 3.28Å; T91-D94 WeakPolarHBondContact CA-OD2 3.34Å; T91-D94 WeakPolarHBondContact O-CB 3.44Å; T91-D94 PolarHBondContact O-N 2.8Å; T91-L427 HydrophobicContact CG2-CD1 4.04Å; T91-L427 HydrophobicContact CG2-CD2 4.36Å |
| 92 | L | 86.1 | Confident | 92.7 | Very high | 89 Ų | 89 | 70.1 Ų | 70.1 | 47% | 0.466 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -40.9 | -170.7 | -171.5 | 64.2 | 0 | 0 | 0 | 113.4 | K87 N88 | K87-L92 WeakPolarHBondContact CD-O 3.31Å; K87-L92 PolarHBondContact NZ-O 2.68Å; N88-L92 PolarHBondContact O-N 3.39Å |
| 93 | T | 88.6 | Confident | 92.7 | Very high | 96 Ų | 96 | 68.9 Ų | 68.9 | 59% | 0.589 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -9.3 | 179.8 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | T91 M433 | T91-T93 VanDerWaalsContact C-N 3.26Å; T91-T93 PolarHBondContact O-N 3.2Å; T91-T93 VanDerWaalsContact O-N 3.14Å; T93-M433 HydrophobicContact CG2-CE 3.82Å; T93-M433 HydrophobicContact CG2-SD 4.43Å; T93-M433 WeakPolarHBondContact OG1-CE 3.41Å |
| 94 | D | 91.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -84.3 | 156.4 | -176.1 | -56.8 | -34.9 | 0 | 0 | 0 | 111 | K87 T91 V96 L427 K429 | K87-D94 WeakPolarHBondContact CE-O 3.23Å; K87-D94 PolarHBondContact NZ-O 3.41Å; T91-D94 VanDerWaalsContact CA-OD2 3.28Å; T91-D94 WeakPolarHBondContact CA-OD2 3.34Å; T91-D94 WeakPolarHBondContact O-CB 3.44Å; T91-D94 PolarHBondContact O-N 2.8Å; D94-V96 HydrophobicContact CB-CG2 4.36Å; D94-L427 HydrophobicContact CB-CD1 3.54Å; D94-K429 HydrophobicContact CB-CG 4.47Å; D94-K429 IonicContact OD1-NZ 3.47Å; D94-K429 PolarHBondContact OD1-NZ 3.41Å; D94-K429 IonicContact OD2-NZ 2.92Å; D94-K429 PolarHBondContact OD2-NZ 2.92Å |
| 95 | Q | 95.2 | Very high | 93 | Very high | 119 Ų | 119 | 58.8 Ų | 58.8 | 56% | 0.556 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 125.9 | 166.9 | -54.7 | -177.3 | -1.5 | 0 | 0 | 109 | L427 I428 | Q95-L427 CarbonylContact O-C 3.49Å; Q95-L427 WeakPolarHBondContact O-CA 3.39Å; Q95-I428 HydrophobicContact CB-CB 4.06Å; Q95-I428 HydrophobicContact CB-CG1 4.34Å; Q95-I428 PolarHBondContact N-O 2.84Å; Q95-I428 PolarHBondContact O-N 2.79Å |
| 96 | V | 96.8 | Very high | 93.3 | Very high | 21 Ų | 21 | 56 Ų | 56 | 13% | 0.127 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 124.2 | -179.5 | -161.5 | 0 | 0 | 0 | 0 | 109 | H84 V85 K87 D94 C426 L427 | H84-V96 PolarHBondContact ND1-O 2.95Å; H84-V96 VanDerWaalsContact ND1-O 3.11Å; V85-V96 HydrophobicContact CG2-CB 4.07Å; V85-V96 HydrophobicContact CG2-CG1 3.41Å; V85-V96 VanDerWaalsContact CG2-CG1 3.41Å; K87-V96 HydrophobicContact CD-CG2 4.1Å; K87-V96 HydrophobicContact CG-CB 4.26Å; K87-V96 HydrophobicContact CG-CG2 3.87Å; D94-V96 HydrophobicContact CB-CG2 4.36Å; V96-C426 WeakPolarHBondContact CA-O 3.33Å; V96-L427 HydrophobicContact CG2-CD1 3.65Å |
| 97 | Y | 97.9 | Very high | 93.6 | Very high | 48 Ų | 48 | 47 Ų | 47 | 19% | 0.188 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 162.2 | 178.3 | 59.5 | -88.9 | 0 | 0 | 0 | 111.6 | P82 R83 L99 C426 I428 | P82-Y97 HydrophobicContact CB-CD2 3.83Å; P82-Y97 HydrophobicContact CB-CE2 4.45Å; P82-Y97 HydrophobicContact CB-CG 4.21Å; R83-Y97 CarbonylContact O-C 3.59Å; R83-Y97 VanDerWaalsContact O-CA 3.23Å; R83-Y97 WeakPolarHBondContact O-CA 3.48Å; Y97-L99 HydrophobicContact CD2-CB 4.22Å; Y97-L99 HydrophobicContact CE2-CB 4.06Å; Y97-C426 HydrophobicContact CD1-CB 4.19Å; Y97-C426 HydrophobicContact CD2-CB 3.83Å; Y97-C426 HydrophobicContact CE1-CB 3.85Å; Y97-C426 HydrophobicContact CE2-CB 3.46Å; Y97-C426 VanDerWaalsContact CE2-CB 3.46Å; Y97-C426 HydrophobicContact CG-CB 4.18Å; Y97-C426 VanDerWaalsContact CZ-CB 3.47Å; Y97-C426 PolarHBondContact N-O 3.32Å; Y97-C426 VanDerWaalsContact N-O 3.07Å; Y97-C426 PolarHBondContact O-N 3.4Å; Y97-I428 HydrophobicContact CE1-CG1 4.11Å |
| 98 | I | 98.7 | Very high | 94.1 | Very high | 51 Ų | 51 | 42.6 Ų | 42.6 | 26% | 0.262 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127 | 169.4 | -63.5 | 169 | 0 | 0 | 0 | 107.8 | R83 V85 H423 R424 | R83-I98 HydrophobicContact CB-CB 4.32Å; R83-I98 PolarHBondContact N-O 3.26Å; R83-I98 PolarHBondContact O-N 2.86Å; V85-I98 HydrophobicContact CG1-CD1 3.59Å; V85-I98 HydrophobicContact CG1-CG1 3.84Å; I98-H423 HydrophobicContact CG2-CB 3.59Å; I98-R424 CarbonylContact C-O 3.59Å; I98-R424 WeakPolarHBondContact CA-O 3.36Å |
| 99 | L | 98.4 | Very high | 94.8 | Very high | 44 Ų | 44 | 40.2 Ų | 40.2 | 23% | 0.23 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 115.9 | 176.8 | -177.1 | 66.3 | 0 | 0 | 0 | 110.2 | P82 Y97 R424 | P82-L99 HydrophobicContact CG-CD1 4.08Å; Y97-L99 HydrophobicContact CD2-CB 4.22Å; Y97-L99 HydrophobicContact CE2-CB 4.06Å; L99-R424 PolarHBondContact N-O 2.9Å; L99-R424 WeakPolarHBondContact O-CB 3.48Å; L99-R424 PolarHBondContact O-N 3.28Å |
| 100 | P | 98.7 | Very high | 95.6 | Very high | 15 Ų | 15 | 36.4 Ų | 36.4 | 10% | 0.097 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 130.5 | 170 | -16.8 | 31.4 | 0 | 0 | 0 | 111.2 | F417 H422 | P100-F417 HydrophobicContact CB-CE1 3.8Å; P100-F417 HydrophobicContact CB-CZ 4.02Å; P100-F417 HydrophobicContact CG-CE1 4.19Å; P100-H422 CarbonylContact C-O 3.49Å; P100-H422 WeakPolarHBondContact CA-O 3.39Å |
| 101 | E | 98.4 | Very high | 96.5 | Very high | 53 Ų | 53 | 31.1 Ų | 31.1 | 25% | 0.248 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 148.6 | 174.7 | 65.6 | -170.9 | 178.3 | 0 | 0 | 110.6 | S421 H422 R424 | E101-S421 CarbonylContact O-C 3.53Å; E101-S421 VanDerWaalsContact O-CA 3.31Å; E101-S421 WeakPolarHBondContact O-CA 3.06Å; E101-H422 HydrophobicContact CG-CB 3.89Å; E101-H422 PolarHBondContact N-O 2.86Å; E101-H422 PolarHBondContact O-N 3.32Å; E101-H422 IonicContact OE1-CE1 3.99Å; E101-H422 IonicContact OE1-CG 2.76Å; E101-H422 IonicContact OE1-ND1 3.65Å; E101-H422 PolarHBondContact OE1-ND1 3.39Å; E101-R424 WeakPolarHBondContact OE1-CD 3.39Å; E101-R424 IonicContact OE1-NH1 3.06Å; E101-R424 IonicContact OE2-CZ 3.46Å; E101-R424 IonicContact OE2-NE 2.63Å; E101-R424 PolarHBondContact OE2-NE 3.45Å; E101-R424 IonicContact OE2-NH1 3.8Å; E101-R424 PolarHBondContact OE2-NH1 3.11Å; E101-R424 IonicContact OE2-NH2 3.16Å |
| 102 | P | 98.8 | Very high | 97 | Very high | 26 Ų | 26 | 31.4 Ų | 31.4 | 17% | 0.169 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 147.8 | 177.4 | 25.8 | -34.1 | 0 | 0 | 0 | 111.1 | F13 A129 N131 | F13-P102 HydrophobicContact CE2-CB 3.89Å; F13-P102 HydrophobicContact CE2-CG 3.92Å; F13-P102 HydrophobicContact CZ-CB 4.21Å; F13-P102 HydrophobicContact CZ-CG 4.03Å; P102-A129 WeakPolarHBondContact CB-O 3.26Å; P102-N131 WeakPolarHBondContact CB-OD1 3.31Å |
| 103 | L | 98.9 | Very high | 97.6 | Very high | 44 Ų | 44 | 27.4 Ų | 27.4 | 23% | 0.23 | 14% | 0.143 | C | C | . | . | trans | -73.2 | -42.4 | 175.3 | -63.3 | 174.8 | 0 | 0 | 0 | 111.7 | N131 D180 H181 H422 | L103-N131 PolarHBondContact N-OD1 3.33Å; L103-D180 HydrophobicContact CB-CB 4.03Å; L103-D180 WeakPolarHBondContact O-CB 3.4Å; L103-H181 HydrophobicContact CD1-CB 3.78Å; L103-H422 HydrophobicContact CD2-CB 3.86Å | ||
| 104 | G | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 144.2 | -116.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N131 A132 D180 | G104-N131 PolarHBondContact N-OD1 3.09Å; G104-N131 WeakPolarHBondContact O-CA 3.48Å; G104-N131 VanDerWaalsContact O-CB 3.32Å; G104-N131 WeakPolarHBondContact O-CB 3.4Å; G104-A132 PolarHBondContact O-N 3.04Å; G104-D180 WeakPolarHBondContact CA-OD2 3.49Å |
| 105 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 119.2 | 175.1 | -169.7 | 0 | 0 | 0 | 0 | 109.7 | A9 R10 A132 V134 F179 D180 | A9-V105 HydrophobicContact CB-CG1 4.19Å; R10-V105 HydrophobicContact CB-CG2 3.86Å; R10-V105 HydrophobicContact CG-CG2 4.22Å; V105-A132 WeakPolarHBondContact CA-O 3.35Å; V105-A132 HydrophobicContact CG1-CB 4.45Å; V105-A132 HydrophobicContact CG2-CB 4.28Å; V105-V134 HydrophobicContact CG1-CG2 4.13Å; V105-F179 HydrophobicContact CB-CD1 4.33Å; V105-F179 HydrophobicContact CG1-CD1 3.87Å; V105-F179 HydrophobicContact CG1-CE1 4.01Å; V105-D180 PolarHBondContact N-OD2 3.46Å; V105-D180 PolarHBondContact O-N 3.46Å |
| 106 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 133.9 | 177.1 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | I108 A126 N131 A132 A133 V134 H181 L420 | V106-I108 HydrophobicContact CG1-CG1 3.98Å; V106-A126 HydrophobicContact CG2-CB 4.5Å; V106-N131 HydrophobicContact CG2-CB 3.74Å; V106-A132 PolarHBondContact N-O 2.85Å; V106-A133 HydrophobicContact CB-CB 4.41Å; V106-A133 CarbonylContact O-C 3.52Å; V106-A133 WeakPolarHBondContact O-CA 3.4Å; V106-V134 PolarHBondContact O-N 2.95Å; V106-H181 WeakPolarHBondContact CA-O 3.47Å; V106-H181 HydrophobicContact CG1-CB 4.27Å; V106-H181 HydrophobicContact CG2-CB 4.12Å; V106-L420 HydrophobicContact CG1-CD2 4.15Å; V106-L420 HydrophobicContact CG2-CD2 4.29Å |
| 107 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 129.2 | 165.3 | 175.5 | 58.4 | 0 | 0 | 0 | 109.3 | I109 V134 K136 L174 L175 F179 H181 I182 F183 | L107-I109 HydrophobicContact CD1-CG1 4.24Å; L107-I109 HydrophobicContact CD2-CD1 3.92Å; L107-I109 HydrophobicContact CD2-CG1 4.08Å; L107-I109 HydrophobicContact CG-CD1 4.31Å; L107-I109 HydrophobicContact CG-CG1 3.94Å; L107-V134 HydrophobicContact CD1-CB 4.32Å; L107-V134 HydrophobicContact CD1-CG1 4.38Å; L107-K136 HydrophobicContact CD1-CB 4.47Å; L107-L174 HydrophobicContact CD1-CD2 3.39Å; L107-L174 HydrophobicContact CD1-CG 3.94Å; L107-L174 HydrophobicContact CD2-CD2 4.36Å; L107-L174 HydrophobicContact CD2-CG 4.27Å; L107-L175 HydrophobicContact CD2-CD2 3.92Å; L107-F179 HydrophobicContact CB-CB 4.43Å; L107-F179 HydrophobicContact CB-CD1 3.68Å; L107-F179 HydrophobicContact CB-CD2 3.85Å; L107-F179 HydrophobicContact CB-CE1 3.77Å; L107-F179 HydrophobicContact CB-CE2 3.93Å; L107-F179 HydrophobicContact CB-CG 3.71Å; L107-F179 HydrophobicContact CB-CZ 3.88Å; L107-F179 HydrophobicContact CD1-CE1 4.42Å; L107-F179 HydrophobicContact CD1-CE2 4.45Å; L107-F179 HydrophobicContact CD1-CZ 4.05Å; L107-F179 HydrophobicContact CD2-CD2 4.03Å; L107-F179 HydrophobicContact CD2-CE2 3.7Å; L107-F179 HydrophobicContact CD2-CZ 4.14Å; L107-F179 HydrophobicContact CG-CE2 4.23Å; L107-F179 HydrophobicContact CG-CZ 4.23Å; L107-H181 PolarHBondContact N-O 2.89Å; L107-I182 HydrophobicContact CB-CB 4.49Å; L107-I182 HydrophobicContact CB-CG1 4.07Å; L107-I182 HydrophobicContact CB-CG2 4.34Å; L107-I182 HydrophobicContact CD2-CG1 4.27Å; L107-I182 HydrophobicContact CD2-CG2 4.09Å; L107-I182 HydrophobicContact CG-CG2 4.33Å; L107-F183 PolarHBondContact O-N 3.17Å |
| 108 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 113.8 | 174.7 | -59.4 | 168.4 | 0 | 0 | 0 | 108.5 | V106 P122 L123 A126 A133 V134 K136 F183 | V106-I108 HydrophobicContact CG1-CG1 3.98Å; I108-P122 HydrophobicContact CD1-CB 4.18Å; I108-P122 HydrophobicContact CG1-CB 4.34Å; I108-P122 HydrophobicContact CG2-CB 4.01Å; I108-P122 HydrophobicContact CG2-CG 4.32Å; I108-L123 VanDerWaalsContact CD1-CA 3.46Å; I108-L123 HydrophobicContact CD1-CB 3.77Å; I108-L123 HydrophobicContact CD1-CD1 4.07Å; I108-A126 HydrophobicContact CD1-CB 4.36Å; I108-A133 HydrophobicContact CD1-CB 4.06Å; I108-V134 PolarHBondContact N-O 3.26Å; I108-K136 PolarHBondContact O-N 3.35Å; I108-F183 HydrophobicContact CG1-CB 4.36Å |
| 109 | I | 98.9 | Very high | 98.6 | Very high | 9 Ų | 9 | 13.4 Ų | 13.4 | 5% | 0.046 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 105 | 175.4 | -56 | 170.6 | 0 | 0 | 0 | 108.1 | L107 K136 T171 L175 F183 Y184 T185 V194 | L107-I109 HydrophobicContact CD1-CG1 4.24Å; L107-I109 HydrophobicContact CD2-CD1 3.92Å; L107-I109 HydrophobicContact CD2-CG1 4.08Å; L107-I109 HydrophobicContact CG-CD1 4.31Å; L107-I109 HydrophobicContact CG-CG1 3.94Å; I109-K136 WeakPolarHBondContact CA-O 3.33Å; I109-K136 HydrophobicContact CG1-CB 4.33Å; I109-K136 HydrophobicContact CG2-CD 4.15Å; I109-T171 HydrophobicContact CD1-CG2 4.25Å; I109-L175 HydrophobicContact CD1-CD2 4.2Å; I109-F183 PolarHBondContact N-O 3.44Å; I109-Y184 HydrophobicContact CB-CD2 3.84Å; I109-Y184 HydrophobicContact CD1-CD2 4.15Å; I109-Y184 HydrophobicContact CG2-CD2 3.69Å; I109-Y184 HydrophobicContact CG2-CE2 4Å; I109-T185 PolarHBondContact O-N 3.17Å; I109-T185 VanDerWaalsContact O-N 3.12Å; I109-V194 HydrophobicContact CD1-CG2 4.34Å |
| 110 | G | 98.6 | Very high | 98.6 | Very high | 5 Ų | 5 | 11.3 Ų | 11.3 | 5% | 0.052 | 6% | 0.06 | C | C | . | . | trans | -80.2 | 156.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | K136 | G110-K136 PolarHBondContact N-O 3.45Š| ||
| 111 | A | 98.6 | Very high | 98.6 | Very high | 7 Ų | 7 | 10.9 Ų | 10.9 | 6% | 0.058 | 6% | 0.056 | C | C | . | . | trans | -96.9 | 168.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P115 L118 T185 | A111-P115 WeakPolarHBondContact O-CA 3.32Å; A111-L118 HydrophobicContact CB-CD1 3.84Å; A111-T185 HydrophobicContact CB-CG2 4.04Å | ||
| 112 | W | 98.6 | Very high | 98.6 | Very high | 29 Ų | 29 | 8.3 Ų | 8.3 | 11% | 0.11 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -91.2 | -18.5 | -173.4 | 50.7 | -92.9 | 0 | 0 | 0 | 115.1 | L50 P115 S138 L140 S141 Q240 I284 H288 F334 | L50-W112 HydrophobicContact CD2-CE3 4.35Å; L50-W112 HydrophobicContact CD2-CZ3 4.41Å; W112-P115 WeakPolarHBondContact O-CD 3.16Å; W112-S138 WeakPolarHBondContact CB-OG 3.46Å; W112-L140 HydrophobicContact CB-CB 3.82Å; W112-L140 HydrophobicContact CG-CB 3.97Å; W112-L140 HydrophobicContact CG-CD1 4.11Å; W112-S141 VanDerWaalsContact CA-OG 3.24Å; W112-S141 WeakPolarHBondContact CA-OG 3.34Å; W112-S141 WeakPolarHBondContact CB-OG 3.36Å; W112-S141 PolarHBondContact O-OG 3.32Å; W112-Q240 HydrophobicContact CH2-CB 4.09Å; W112-Q240 HydrophobicContact CH2-CG 4.13Å; W112-Q240 HydrophobicContact CZ3-CB 4Å; W112-Q240 HydrophobicContact CZ3-CG 4.2Å; W112-I284 HydrophobicContact CD2-CB 4.39Å; W112-I284 HydrophobicContact CD2-CG1 4.13Å; W112-I284 HydrophobicContact CD2-CG2 4.27Å; W112-I284 HydrophobicContact CE3-CB 3.66Å; W112-I284 HydrophobicContact CE3-CD1 4.17Å; W112-I284 HydrophobicContact CE3-CG1 3.68Å; W112-I284 HydrophobicContact CE3-CG2 3.88Å; W112-I284 HydrophobicContact CH2-CB 4.1Å; W112-I284 HydrophobicContact CH2-CG2 3.55Å; W112-I284 HydrophobicContact CZ2-CG2 4Å; W112-I284 HydrophobicContact CZ3-CB 3.52Å; W112-I284 HydrophobicContact CZ3-CG1 4.1Å; W112-I284 HydrophobicContact CZ3-CG2 3.53Å; W112-H288 AromaticContact CZ2-CE1 3.71Å; W112-F334 AromaticContact CH2-CD1 3.54Å; W112-F334 HydrophobicContact CH2-CD1 3.54Å; W112-F334 AromaticContact CH2-CE1 3.29Å; W112-F334 HydrophobicContact CH2-CE1 3.29Å; W112-F334 AromaticContact CZ2-CD1 3.73Å; W112-F334 HydrophobicContact CZ2-CD1 3.73Å; W112-F334 AromaticContact CZ2-CE1 3.4Å; W112-F334 HydrophobicContact CZ2-CE1 3.4Å; W112-F334 VanDerWaalsContact CZ2-CE1 3.4Å; W112-F334 HydrophobicContact CZ3-CE1 4.02Å |
| 113 | N | 98.3 | Very high | 98.6 | Very high | 4 Ų | 4 | 7.1 Ų | 7.1 | 2% | 0.021 | 4% | 0.036 | C | C | . | . | S | Bend | trans | -77.8 | -25.4 | -171.5 | 61.6 | -46.8 | 0 | 0 | 0 | 113.4 | L50 R52 L118 N237 Q240 F334 | L50-N113 WeakPolarHBondContact CD1-O 3.22Å; R52-N113 PolarHBondContact NH2-O 3.27Å; N113-L118 VanDerWaalsContact OD1-CD1 3.27Å; N113-L118 WeakPolarHBondContact OD1-CD1 3.33Å; N113-N237 PolarHBondContact O-ND2 3.44Å; N113-Q240 HydrophobicContact CB-CB 4.43Å; N113-Q240 WeakPolarHBondContact CB-O 3.2Å; N113-Q240 PolarHBondContact ND2-O 3.22Å; N113-F334 HydrophobicContact CB-CE1 3.95Å; N113-F334 HydrophobicContact CB-CZ 3.95Å; N113-F334 WeakPolarHBondContact ND2-CZ 3.33Å |
| 114 | Y | 98.4 | Very high | 98.6 | Very high | 23 Ų | 23 | 5.1 Ų | 5.1 | 9% | 0.09 | 3% | 0.026 | C | C | . | . | S | Bend | trans | -140.2 | 72.8 | 168.2 | -61.8 | -86.3 | 0 | 0 | 0 | 107.5 | E61 W116 A117 L118 F236 N237 T241 | E61-Y114 HydrophobicContact CG-CD1 3.71Å; E61-Y114 HydrophobicContact CG-CG 4.37Å; E61-Y114 VanDerWaalsContact OE2-CA 3.26Å; E61-Y114 WeakPolarHBondContact OE2-CA 3.43Å; Y114-W116 PolarHBondContact O-N 2.86Å; Y114-A117 PolarHBondContact O-N 3.12Å; Y114-L118 HydrophobicContact CD2-CD1 4.4Å; Y114-L118 WeakPolarHBondContact O-CB 3.35Å; Y114-L118 WeakPolarHBondContact O-CG 3.48Å; Y114-L118 PolarHBondContact O-N 3.03Å; Y114-F236 AromaticContact CE1-CE1 3.89Å; Y114-F236 HydrophobicContact CE1-CE1 3.89Å; Y114-F236 HydrophobicContact CE1-CZ 4.45Å; Y114-F236 AromaticContact CZ-CE1 3.93Å; Y114-F236 WeakPolarHBondContact OH-CD1 3.38Å; Y114-F236 WeakPolarHBondContact OH-CE1 3.42Å; Y114-N237 HydrophobicContact CE1-CB 4.44Å; Y114-N237 WeakPolarHBondContact OH-CB 3.49Å; Y114-T241 HydrophobicContact CE2-CG2 3.89Å; Y114-T241 PolarHBondContact OH-OG1 2.82Å |
| 115 | P | 98.3 | Very high | 98.6 | Very high | 4 Ų | 4 | 5.2 Ų | 5.2 | 3% | 0.026 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -20.4 | -162.8 | 27.8 | -33.7 | 0 | 0 | 0 | 113.8 | L46 A111 W112 T119 S144 | L46-P115 HydrophobicContact CD2-CG 3.58Å; A111-P115 WeakPolarHBondContact O-CA 3.32Å; W112-P115 WeakPolarHBondContact O-CD 3.16Å; P115-T119 VanDerWaalsContact O-CB 3.26Å; P115-T119 WeakPolarHBondContact O-CB 3.43Å; P115-T119 PolarHBondContact O-OG1 3.22Å; P115-S144 WeakPolarHBondContact CG-OG 3.36Å |
| 116 | W | 98.3 | Very high | 98.6 | Very high | 2 Ų | 2 | 5.2 Ų | 5.2 | 1% | 0.008 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -50.9 | 175.2 | -67.9 | 84.5 | 0 | 0 | 0 | 110.7 | L34 I42 E61 Y114 L118 T119 L120 S144 L147 L148 L151 | L34-W116 HydrophobicContact CD2-CZ3 4.09Å; I42-W116 HydrophobicContact CB-CZ2 4.43Å; I42-W116 HydrophobicContact CD1-CD2 4.47Å; I42-W116 HydrophobicContact CD1-CE3 4.1Å; I42-W116 HydrophobicContact CD1-CH2 4.24Å; I42-W116 HydrophobicContact CD1-CZ3 3.97Å; I42-W116 HydrophobicContact CG1-CD2 4.27Å; I42-W116 HydrophobicContact CG1-CE3 4.25Å; I42-W116 HydrophobicContact CG1-CH2 3.76Å; I42-W116 HydrophobicContact CG1-CZ2 3.77Å; I42-W116 HydrophobicContact CG1-CZ3 4Å; I42-W116 HydrophobicContact CG2-CD2 3.86Å; I42-W116 HydrophobicContact CG2-CG 3.99Å; I42-W116 HydrophobicContact CG2-CZ2 4.28Å; E61-W116 WeakPolarHBondContact OE2-CA 3.42Å; E61-W116 WeakPolarHBondContact OE2-CB 3.38Å; E61-W116 PolarHBondContact OE2-N 2.83Å; Y114-W116 PolarHBondContact O-N 2.86Å; W116-L118 PolarHBondContact O-N 3.19Å; W116-T119 PolarHBondContact O-N 2.96Å; W116-L120 HydrophobicContact CE3-CD1 3.79Å; W116-L120 HydrophobicContact CZ3-CD1 4.38Å; W116-L120 VanDerWaalsContact O-CB 3.27Å; W116-L120 WeakPolarHBondContact O-CB 3.49Å; W116-L120 WeakPolarHBondContact O-CG 3.29Å; W116-L120 PolarHBondContact O-N 3.25Å; W116-S144 PolarHBondContact NE1-OG 3.41Å; W116-L147 HydrophobicContact CH2-CB 4.46Å; W116-L147 HydrophobicContact CH2-CD2 4.21Å; W116-L147 HydrophobicContact CH2-CG 4.1Å; W116-L147 HydrophobicContact CZ2-CB 4.14Å; W116-L147 HydrophobicContact CZ2-CD2 3.84Å; W116-L147 HydrophobicContact CZ2-CG 4.04Å; W116-L148 HydrophobicContact CE3-CD1 4.22Å; W116-L148 HydrophobicContact CH2-CB 4.04Å; W116-L148 HydrophobicContact CZ2-CB 4.45Å; W116-L148 HydrophobicContact CZ3-CB 4.36Å; W116-L148 HydrophobicContact CZ3-CD1 4.18Å; W116-L148 HydrophobicContact CZ3-CG 4.41Å; W116-L151 HydrophobicContact CH2-CD1 4.45Å |
| 117 | A | 97.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 5.2 Ų | 5.2 | 3% | 0.033 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -61.6 | -48.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E61 Y114 T119 Q121 | E61-A117 HydrophobicContact CB-CB 4.04Å; E61-A117 HydrophobicContact CG-CB 3.93Å; E61-A117 PolarHBondContact OE2-N 2.76Å; Y114-A117 PolarHBondContact O-N 3.12Å; A117-T119 PolarHBondContact O-N 3.31Å; A117-Q121 WeakPolarHBondContact O-CB 3.37Å; A117-Q121 PolarHBondContact O-N 3.36Å |
| 118 | L | 98.6 | Very high | 98.6 | Very high | 12 Ų | 12 | 5.2 Ų | 5.2 | 6% | 0.063 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -75.7 | -7.8 | -175.6 | -59.8 | 175.4 | 0 | 0 | 0 | 113.6 | A111 N113 Y114 W116 T185 | A111-L118 HydrophobicContact CB-CD1 3.84Å; N113-L118 VanDerWaalsContact OD1-CD1 3.27Å; N113-L118 WeakPolarHBondContact OD1-CD1 3.33Å; Y114-L118 HydrophobicContact CD2-CD1 4.4Å; Y114-L118 WeakPolarHBondContact O-CB 3.35Å; Y114-L118 WeakPolarHBondContact O-CG 3.48Å; Y114-L118 PolarHBondContact O-N 3.03Å; W116-L118 PolarHBondContact O-N 3.19Å; L118-T185 HydrophobicContact CD1-CG2 4.02Å; L118-T185 HydrophobicContact CD2-CG2 4.25Å; L118-T185 HydrophobicContact CG-CG2 4.48Å |
| 119 | T | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -101.6 | -47.5 | 174.1 | -55.4 | 0 | 0 | 0 | 0 | 111 | P115 W116 A117 V135 L148 | P115-T119 VanDerWaalsContact O-CB 3.26Å; P115-T119 WeakPolarHBondContact O-CB 3.43Å; P115-T119 PolarHBondContact O-OG1 3.22Å; W116-T119 PolarHBondContact O-N 2.96Å; A117-T119 PolarHBondContact O-N 3.31Å; T119-V135 HydrophobicContact CG2-CG1 3.2Å; T119-L148 HydrophobicContact CG2-CD1 3.91Å |
| 120 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -83.3 | -30.2 | -173 | -62.9 | -173 | 0 | 0 | 0 | 113.2 | L31 L65 W116 L123 I124 L148 L152 | L31-L120 HydrophobicContact CD1-CD1 4.29Å; L31-L120 HydrophobicContact CD1-CD2 4.24Å; L65-L120 HydrophobicContact CD1-CB 4.02Å; L65-L120 HydrophobicContact CD1-CD1 4.02Å; L65-L120 HydrophobicContact CD2-CB 3.75Å; W116-L120 HydrophobicContact CE3-CD1 3.79Å; W116-L120 HydrophobicContact CZ3-CD1 4.38Å; W116-L120 VanDerWaalsContact O-CB 3.27Å; W116-L120 WeakPolarHBondContact O-CB 3.49Å; W116-L120 WeakPolarHBondContact O-CG 3.29Å; W116-L120 PolarHBondContact O-N 3.25Å; L120-L123 HydrophobicContact CD2-CD2 3.9Å; L120-L123 WeakPolarHBondContact O-CB 3.37Å; L120-L123 PolarHBondContact O-N 2.92Å; L120-L123 VanDerWaalsContact O-N 3.14Å; L120-I124 VanDerWaalsContact O-CG1 3.27Å; L120-I124 WeakPolarHBondContact O-CG1 3.31Å; L120-I124 PolarHBondContact O-N 3.18Å; L120-L148 HydrophobicContact CD2-CD1 4.08Å; L120-L148 HydrophobicContact CG-CD1 4.44Å; L120-L152 HydrophobicContact CD2-CD1 4.3Å |
| 121 | Q | 98.4 | Very high | 98.6 | Very high | 6 Ų | 6 | 4.6 Ų | 4.6 | 3% | 0.028 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -65.3 | -44.6 | -179.4 | -162.8 | 176.6 | -2.7 | 0 | 0 | 112.7 | L65 E68 A117 L123 I124 Y393 Y411 H412 | L65-Q121 HydrophobicContact CD2-CB 3.79Å; L65-Q121 HydrophobicContact CD2-CG 4.47Å; E68-Q121 HydrophobicContact CG-CG 4.15Å; A117-Q121 WeakPolarHBondContact O-CB 3.37Å; A117-Q121 PolarHBondContact O-N 3.36Å; Q121-L123 VanDerWaalsContact C-N 3.3Å; Q121-L123 PolarHBondContact O-N 2.93Å; Q121-I124 PolarHBondContact O-N 3.3Å; Q121-Y393 PolarHBondContact OE1-OH 2.85Å; Q121-Y411 HydrophobicContact CB-CE2 4.1Å; Q121-Y411 HydrophobicContact CG-CD2 4.4Å; Q121-Y411 HydrophobicContact CG-CE2 3.84Å; Q121-H412 PolarHBondContact NE2-CD2 3.05Å; Q121-H412 PolarHBondContact NE2-CE1 3.32Å; Q121-H412 PolarHBondContact NE2-NE2 3.15Å; Q121-H412 VanDerWaalsContact NE2-NE2 3.16Å |
| 122 | P | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -62.6 | -35.9 | 169.4 | -22.4 | 34.8 | 0 | 0 | 0 | 112.8 | I108 G125 A126 F183 Y411 | I108-P122 HydrophobicContact CD1-CB 4.18Å; I108-P122 HydrophobicContact CG1-CB 4.34Å; I108-P122 HydrophobicContact CG2-CB 4.01Å; I108-P122 HydrophobicContact CG2-CG 4.32Å; P122-G125 PolarHBondContact O-N 2.95Å; P122-A126 PolarHBondContact O-N 3.5Å; P122-F183 HydrophobicContact CB-CD1 3.93Å; P122-F183 HydrophobicContact CB-CD2 3.96Å; P122-F183 HydrophobicContact CB-CE1 4.03Å; P122-F183 HydrophobicContact CB-CE2 4.03Å; P122-F183 HydrophobicContact CB-CG 3.92Å; P122-F183 HydrophobicContact CB-CZ 4.08Å; P122-F183 HydrophobicContact CG-CD1 3.77Å; P122-F183 HydrophobicContact CG-CD2 4.47Å; P122-F183 HydrophobicContact CG-CE1 3.49Å; P122-F183 VanDerWaalsContact CG-CE1 3.49Å; P122-F183 HydrophobicContact CG-CE2 4.21Å; P122-F183 HydrophobicContact CG-CG 4.28Å; P122-F183 HydrophobicContact CG-CZ 3.74Å; P122-Y411 HydrophobicContact CG-CD2 4.49Å; P122-Y411 HydrophobicContact CG-CE2 4.3Å |
| 123 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 2.9 Ų | 2.9 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 179.3 | 178.9 | 63.3 | 0 | 0 | 0 | 112.1 | I108 L120 Q121 G125 A126 I127 A133 V135 L152 L156 Y161 | I108-L123 VanDerWaalsContact CD1-CA 3.46Å; I108-L123 HydrophobicContact CD1-CB 3.77Å; I108-L123 HydrophobicContact CD1-CD1 4.07Å; L120-L123 HydrophobicContact CD2-CD2 3.9Å; L120-L123 WeakPolarHBondContact O-CB 3.37Å; L120-L123 PolarHBondContact O-N 2.92Å; L120-L123 VanDerWaalsContact O-N 3.14Å; Q121-L123 VanDerWaalsContact C-N 3.3Å; Q121-L123 PolarHBondContact O-N 2.93Å; L123-G125 VanDerWaalsContact C-N 3.28Å; L123-G125 PolarHBondContact O-N 3.36Å; L123-A126 PolarHBondContact O-N 3.45Å; L123-A126 VanDerWaalsContact O-N 3.14Å; L123-I127 HydrophobicContact CD1-CD1 4.12Å; L123-I127 HydrophobicContact CD1-CG1 4.14Å; L123-I127 HydrophobicContact CD2-CD1 4.48Å; L123-I127 HydrophobicContact CG-CD1 3.87Å; L123-I127 HydrophobicContact CG-CG1 4.34Å; L123-I127 VanDerWaalsContact O-CG1 3.3Å; L123-I127 WeakPolarHBondContact O-CG1 3.48Å; L123-I127 PolarHBondContact O-N 3.42Å; L123-A133 HydrophobicContact CD1-CB 3.64Å; L123-V135 HydrophobicContact CD1-CG2 4.04Å; L123-V135 HydrophobicContact CD2-CG2 4.04Å; L123-L152 HydrophobicContact CD2-CD1 4.29Å; L123-L152 HydrophobicContact CD2-CD2 4.21Å; L123-L156 HydrophobicContact CD2-CD1 4.17Å; L123-Y161 HydrophobicContact CD1-CD1 4.05Å |
| 124 | I | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 2.7 Ų | 2.7 | 1% | 0.01 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -54.4 | -47.7 | 174.9 | -72 | 159.3 | 0 | 0 | 0 | 110.1 | L28 L31 L65 E68 I69 A72 L120 Q121 A128 | L28-I124 HydrophobicContact CD2-CB 4.38Å; L28-I124 HydrophobicContact CD2-CG2 3.88Å; L31-I124 HydrophobicContact CD2-CD1 4.38Å; L31-I124 HydrophobicContact CD2-CG1 3.61Å; L65-I124 HydrophobicContact CB-CD1 4.37Å; L65-I124 HydrophobicContact CD2-CD1 3.73Å; E68-I124 HydrophobicContact CB-CD1 4.21Å; E68-I124 HydrophobicContact CG-CB 4.39Å; E68-I124 HydrophobicContact CG-CD1 4.19Å; E68-I124 HydrophobicContact CG-CG2 3.82Å; I69-I124 HydrophobicContact CD1-CD1 4.04Å; I69-I124 HydrophobicContact CD1-CG1 4.34Å; I69-I124 HydrophobicContact CG1-CD1 3.52Å; I69-I124 HydrophobicContact CG1-CG1 3.7Å; I69-I124 HydrophobicContact CG1-CG2 4.3Å; A72-I124 HydrophobicContact CB-CG2 4.22Å; L120-I124 VanDerWaalsContact O-CG1 3.27Å; L120-I124 WeakPolarHBondContact O-CG1 3.31Å; L120-I124 PolarHBondContact O-N 3.18Å; Q121-I124 PolarHBondContact O-N 3.3Å; I124-A128 WeakPolarHBondContact O-CB 3.4Å; I124-A128 PolarHBondContact O-N 3.41Å |
| 125 | G | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 1.6 Ų | 1.6 | 3% | 0.031 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -68.7 | -36.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | P122 L123 A128 A129 | P122-G125 PolarHBondContact O-N 2.95Å; L123-G125 VanDerWaalsContact C-N 3.28Å; L123-G125 PolarHBondContact O-N 3.36Å; G125-A128 PolarHBondContact O-N 2.66Å; G125-A129 WeakPolarHBondContact O-CB 3.37Å; G125-A129 PolarHBondContact O-N 2.93Å |
| 126 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 1.7 Ų | 1.7 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V106 I108 P122 L123 A129 G130 N131 A133 L420 | V106-A126 HydrophobicContact CG2-CB 4.5Å; I108-A126 HydrophobicContact CD1-CB 4.36Å; P122-A126 PolarHBondContact O-N 3.5Å; L123-A126 PolarHBondContact O-N 3.45Å; L123-A126 VanDerWaalsContact O-N 3.14Å; A126-A129 PolarHBondContact O-N 2.9Å; A126-G130 PolarHBondContact O-N 3.23Å; A126-G130 VanDerWaalsContact O-N 3.12Å; A126-N131 HydrophobicContact CB-CB 4.5Å; A126-N131 WeakPolarHBondContact O-CB 3.46Å; A126-N131 PolarHBondContact O-N 2.88Å; A126-N131 PolarHBondContact O-ND2 2.98Å; A126-A133 HydrophobicContact CB-CB 4.18Å; A126-L420 HydrophobicContact CB-CD1 3.77Å |
| 127 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 1.8 Ų | 1.8 | 0% | 0 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -62 | -47.4 | 174.5 | -65.8 | 167.5 | 0 | 0 | 0 | 110.1 | R24 Q27 L28 L31 L123 A129 G130 L156 Y161 | R24-I127 WeakPolarHBondContact CD-O 3.42Å; Q27-I127 HydrophobicContact CB-CG2 3.71Å; L28-I127 HydrophobicContact CD2-CB 4.12Å; L28-I127 HydrophobicContact CD2-CG2 3.94Å; L28-I127 HydrophobicContact CG-CG2 3.84Å; L31-I127 HydrophobicContact CD2-CD1 4.48Å; L123-I127 HydrophobicContact CD1-CD1 4.12Å; L123-I127 HydrophobicContact CD1-CG1 4.14Å; L123-I127 HydrophobicContact CD2-CD1 4.48Å; L123-I127 HydrophobicContact CG-CD1 3.87Å; L123-I127 HydrophobicContact CG-CG1 4.34Å; L123-I127 VanDerWaalsContact O-CG1 3.3Å; L123-I127 WeakPolarHBondContact O-CG1 3.48Å; L123-I127 PolarHBondContact O-N 3.42Å; I127-A129 VanDerWaalsContact C-N 3.33Å; I127-A129 PolarHBondContact O-N 2.85Å; I127-G130 PolarHBondContact O-N 3.41Å; I127-L156 HydrophobicContact CD1-CD1 4.03Å; I127-Y161 HydrophobicContact CD1-CE1 4.43Å; I127-Y161 HydrophobicContact CG1-CD1 4.09Å; I127-Y161 HydrophobicContact CG1-CE1 3.54Å; I127-Y161 HydrophobicContact CG1-CE2 4.39Å |
| 128 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -60 | -42.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R24 L28 A72 L76 I124 G125 G130 F417 | R24-A128 WeakPolarHBondContact CD-O 3.27Å; R24-A128 PolarHBondContact NH1-O 3.04Å; L28-A128 HydrophobicContact CD1-CB 4.39Å; A72-A128 HydrophobicContact CB-CB 4.43Å; L76-A128 HydrophobicContact CD1-CB 4.21Å; L76-A128 WeakPolarHBondContact CD1-O 3.41Å; I124-A128 WeakPolarHBondContact O-CB 3.4Å; I124-A128 PolarHBondContact O-N 3.41Å; G125-A128 PolarHBondContact O-N 2.66Å; A128-G130 PolarHBondContact O-N 2.97Å; A128-F417 HydrophobicContact CB-CD2 4.19Å; A128-F417 WeakPolarHBondContact O-CE2 3.43Å |
| 129 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -70.2 | -14.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R24 P102 G125 A126 I127 N131 F417 L420 S421 | R24-A129 PolarHBondContact NH1-O 3.19Å; P102-A129 WeakPolarHBondContact CB-O 3.26Å; G125-A129 WeakPolarHBondContact O-CB 3.37Å; G125-A129 PolarHBondContact O-N 2.93Å; A126-A129 PolarHBondContact O-N 2.9Å; I127-A129 VanDerWaalsContact C-N 3.33Å; I127-A129 PolarHBondContact O-N 2.85Å; A129-N131 VanDerWaalsContact CB-ND2 3.35Å; A129-N131 WeakPolarHBondContact CB-ND2 3.2Å; A129-F417 HydrophobicContact CB-CD2 4.22Å; A129-F417 HydrophobicContact CB-CE2 4.47Å; A129-L420 HydrophobicContact CB-CB 4.13Å; A129-L420 WeakPolarHBondContact CB-O 3.15Å; A129-S421 WeakPolarHBondContact CB-OG 3.42Å |
| 130 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | 17.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S18 A126 I127 A128 | S18-G130 WeakPolarHBondContact CB-O 3.34Å; S18-G130 PolarHBondContact OG-O 3.28Å; A126-G130 PolarHBondContact O-N 3.23Å; A126-G130 VanDerWaalsContact O-N 3.12Å; I127-G130 PolarHBondContact O-N 3.41Å; A128-G130 PolarHBondContact O-N 2.97Å |
| 131 | N | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.042 | C | C | . | . | trans | -79.9 | 158.9 | 178.6 | -59.5 | -68.9 | 0 | 0 | 0 | 111.4 | P102 L103 G104 V106 A126 A129 Y161 L420 | P102-N131 WeakPolarHBondContact CB-OD1 3.31Å; L103-N131 PolarHBondContact N-OD1 3.33Å; G104-N131 PolarHBondContact N-OD1 3.09Å; G104-N131 WeakPolarHBondContact O-CA 3.48Å; G104-N131 VanDerWaalsContact O-CB 3.32Å; G104-N131 WeakPolarHBondContact O-CB 3.4Å; V106-N131 HydrophobicContact CG2-CB 3.74Å; A126-N131 HydrophobicContact CB-CB 4.5Å; A126-N131 WeakPolarHBondContact O-CB 3.46Å; A126-N131 PolarHBondContact O-N 2.88Å; A126-N131 PolarHBondContact O-ND2 2.98Å; A129-N131 VanDerWaalsContact CB-ND2 3.35Å; A129-N131 WeakPolarHBondContact CB-ND2 3.2Å; N131-Y161 WeakPolarHBondContact O-CE1 3.37Å; N131-Y161 PolarHBondContact O-OH 3.41Å; N131-L420 PolarHBondContact ND2-O 3.26Å | ||
| 132 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 155.9 | 150.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | A9 F13 G104 V105 V106 L160 | A9-A132 HydrophobicContact CB-CB 4.41Å; F13-A132 HydrophobicContact CB-CB 3.94Å; G104-A132 PolarHBondContact O-N 3.04Å; V105-A132 WeakPolarHBondContact CA-O 3.35Å; V105-A132 HydrophobicContact CG1-CB 4.45Å; V105-A132 HydrophobicContact CG2-CB 4.28Å; V106-A132 PolarHBondContact N-O 2.85Å; A132-L160 CarbonylContact C-O 3.5Å; A132-L160 WeakPolarHBondContact CA-O 3.45Å; A132-L160 HydrophobicContact CB-CD2 3.76Å; A132-L160 WeakPolarHBondContact CB-O 3.4Å |
| 133 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 128.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V106 I108 L123 A126 L160 Y161 P162 | V106-A133 HydrophobicContact CB-CB 4.41Å; V106-A133 CarbonylContact O-C 3.52Å; V106-A133 WeakPolarHBondContact O-CA 3.4Å; I108-A133 HydrophobicContact CD1-CB 4.06Å; L123-A133 HydrophobicContact CD1-CB 3.64Å; A126-A133 HydrophobicContact CB-CB 4.18Å; A133-L160 PolarHBondContact N-O 2.85Å; A133-Y161 HydrophobicContact CB-CD1 4.19Å; A133-Y161 VanDerWaalsContact O-CA 3.3Å; A133-Y161 WeakPolarHBondContact O-CA 3.3Å; A133-P162 WeakPolarHBondContact O-CD 3.23Å |
| 134 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121.4 | 168.3 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | V6 A9 V105 V106 L107 I108 P162 V164 L174 F179 | V6-V134 HydrophobicContact CG2-CG2 4.31Å; A9-V134 HydrophobicContact CB-CG2 4.16Å; V105-V134 HydrophobicContact CG1-CG2 4.13Å; V106-V134 PolarHBondContact O-N 2.95Å; L107-V134 HydrophobicContact CD1-CB 4.32Å; L107-V134 HydrophobicContact CD1-CG1 4.38Å; I108-V134 PolarHBondContact N-O 3.26Å; V134-P162 HydrophobicContact CG2-CG 4.09Å; V134-V164 HydrophobicContact CG1-CB 4.38Å; V134-V164 HydrophobicContact CG1-CG2 3.68Å; V134-L174 HydrophobicContact CG1-CD1 4.23Å; V134-L174 HydrophobicContact CG1-CD2 4.32Å; V134-F179 HydrophobicContact CB-CE1 4.05Å; V134-F179 HydrophobicContact CB-CZ 4.48Å; V134-F179 HydrophobicContact CG2-CE1 3.88Å; V134-F179 HydrophobicContact CG2-CZ 4.49Å |
| 135 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 119.1 | -174.8 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | T119 L123 P137 L148 L152 P162 V163 V164 | T119-V135 HydrophobicContact CG2-CG1 3.2Å; L123-V135 HydrophobicContact CD1-CG2 4.04Å; L123-V135 HydrophobicContact CD2-CG2 4.04Å; V135-P137 WeakPolarHBondContact O-CD 3.38Å; V135-L148 HydrophobicContact CG1-CD2 3.93Å; V135-L152 HydrophobicContact CG2-CD2 4.1Å; V135-P162 PolarHBondContact N-O 3.44Å; V135-V163 HydrophobicContact CB-CG2 4.33Å; V135-V163 CarbonylContact O-C 3.55Å; V135-V163 VanDerWaalsContact O-CA 3.29Å; V135-V163 WeakPolarHBondContact O-CA 3.29Å; V135-V164 PolarHBondContact O-N 3.41Å |
| 136 | K | 98.8 | Very high | 98.7 | Very high | 6 Ų | 6 | 21.2 Ų | 21.2 | 3% | 0.026 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 92.7 | 176.8 | -163.5 | -86.2 | 157.5 | 168.3 | 0 | 109.5 | L107 I108 I109 G110 E139 V164 G166 T171 L174 | L107-K136 HydrophobicContact CD1-CB 4.47Å; I108-K136 PolarHBondContact O-N 3.35Å; I109-K136 WeakPolarHBondContact CA-O 3.33Å; I109-K136 HydrophobicContact CG1-CB 4.33Å; I109-K136 HydrophobicContact CG2-CD 4.15Å; G110-K136 PolarHBondContact N-O 3.45Å; K136-E139 IonicContact NZ-OE2 3.3Å; K136-E139 PolarHBondContact NZ-OE2 3.33Å; K136-V164 WeakPolarHBondContact CA-O 3.39Å; K136-G166 WeakPolarHBondContact CE-O 3.24Å; K136-G166 PolarHBondContact NZ-O 3.22Å; K136-T171 WeakPolarHBondContact CE-OG1 3.44Å; K136-T171 PolarHBondContact NZ-OG1 2.93Å; K136-L174 HydrophobicContact CB-CD2 4.14Å; K136-L174 HydrophobicContact CG-CD2 4.17Å |
| 137 | P | 98.7 | Very high | 98.7 | Very high | 4 Ų | 4 | 22.5 Ų | 22.5 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | trans | -68 | 156.8 | 173 | 29.8 | -34.7 | 0 | 0 | 0 | 110.8 | V135 A145 L148 V163 T165 | V135-P137 WeakPolarHBondContact O-CD 3.38Å; P137-A145 HydrophobicContact CB-CB 3.85Å; P137-A145 HydrophobicContact CG-CB 3.8Å; P137-L148 HydrophobicContact CG-CD2 4.43Å; P137-V163 HydrophobicContact CG-CG1 4.06Å; P137-T165 HydrophobicContact CG-CG2 4.15Å | ||
| 138 | S | 98.6 | Very high | 98.7 | Very high | 10 Ų | 10 | 22.7 Ų | 22.7 | 7% | 0.07 | 12% | 0.119 | C | C | . | . | trans | -70.6 | 133.3 | 177.1 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | W112 L140 S141 | W112-S138 WeakPolarHBondContact CB-OG 3.46Å; S138-L140 PolarHBondContact O-N 2.94Å; S138-L140 PolarHBondContact OG-N 2.85Å; S138-S141 PolarHBondContact O-N 3.42Å | ||
| 139 | E | 97.7 | Very high | 98.6 | Very high | 76 Ų | 76 | 27 Ų | 27 | 36% | 0.355 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -19.7 | 175.8 | 66.6 | -87.2 | -152.8 | 0 | 0 | 113.6 | K136 S141 | K136-E139 IonicContact NZ-OE2 3.3Å; K136-E139 PolarHBondContact NZ-OE2 3.33Å; E139-S141 VanDerWaalsContact C-N 3.31Å |
| 140 | L | 98.4 | Very high | 98.6 | Very high | 63 Ų | 63 | 29.7 Ų | 29.7 | 33% | 0.33 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -23.4 | 179.9 | -58.8 | -173.7 | 0 | 0 | 0 | 113.1 | W112 S138 I284 | W112-L140 HydrophobicContact CB-CB 3.82Å; W112-L140 HydrophobicContact CG-CB 3.97Å; W112-L140 HydrophobicContact CG-CD1 4.11Å; S138-L140 PolarHBondContact O-N 2.94Å; S138-L140 PolarHBondContact OG-N 2.85Å; L140-I284 HydrophobicContact CB-CG1 4.12Å; L140-I284 WeakPolarHBondContact O-CD1 3.24Å |
| 141 | S | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -102.8 | 67.4 | 171.4 | -60 | 0 | 0 | 0 | 0 | 108.7 | D49 W112 S138 E139 H143 S144 A145 | D49-S141 VanDerWaalsContact OD1-C 3.27Å; D49-S141 WeakPolarHBondContact OD1-CA 3.47Å; D49-S141 WeakPolarHBondContact OD2-CB 3.33Å; W112-S141 VanDerWaalsContact CA-OG 3.24Å; W112-S141 WeakPolarHBondContact CA-OG 3.34Å; W112-S141 WeakPolarHBondContact CB-OG 3.36Å; W112-S141 PolarHBondContact O-OG 3.32Å; S138-S141 PolarHBondContact O-N 3.42Å; E139-S141 VanDerWaalsContact C-N 3.31Å; S141-H143 VanDerWaalsContact C-N 3.3Å; S141-H143 PolarHBondContact O-N 2.86Å; S141-S144 PolarHBondContact O-N 3.2Å; S141-A145 WeakPolarHBondContact O-CB 3.48Å; S141-A145 PolarHBondContact O-N 2.93Å |
| 142 | E | 98.3 | Very high | 98.6 | Very high | 130 Ų | 130 | 30 Ų | 30 | 61% | 0.607 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -57.5 | -41.4 | -168.3 | -175.6 | -179.7 | 164.2 | 0 | 0 | 112.6 | D49 A145 S146 | D49-E142 PolarHBondContact OD1-N 3.36Å; E142-A145 PolarHBondContact O-N 3.38Å; E142-S146 VanDerWaalsContact O-CB 3.3Å; E142-S146 WeakPolarHBondContact O-CB 3.48Å; E142-S146 PolarHBondContact O-N 3.48Å; E142-S146 PolarHBondContact O-OG 3.09Å |
| 143 | H | 98.7 | Very high | 98.6 | Very high | 79 Ų | 79 | 32.4 Ų | 32.4 | 37% | 0.366 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.9 | -44.9 | -178.4 | -64.8 | -78 | 0 | 0 | 0 | 110.7 | A45 Q48 D49 S141 S146 L147 | A45-H143 HydrophobicContact CB-CB 4.01Å; Q48-H143 HydrophobicContact CB-CB 4.2Å; Q48-H143 WeakPolarHBondContact CB-CD2 3.29Å; Q48-H143 PolarHBondContact OE1-ND1 3.17Å; D49-H143 WeakPolarHBondContact OD1-CB 3.47Å; D49-H143 IonicContact OD1-CD2 3.43Å; D49-H143 PolarHBondContact OD1-CD2 3.34Å; D49-H143 IonicContact OD1-CG 2.61Å; D49-H143 PolarHBondContact OD1-N 2.93Å; S141-H143 VanDerWaalsContact C-N 3.3Å; S141-H143 PolarHBondContact O-N 2.86Å; H143-S146 PolarHBondContact O-N 3.09Å; H143-L147 VanDerWaalsContact O-CB 3.3Å; H143-L147 WeakPolarHBondContact O-CB 3.29Å; H143-L147 PolarHBondContact O-N 3.48Å |
| 144 | S | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 175.5 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | D49 P115 W116 S141 L147 L148 | D49-S144 WeakPolarHBondContact OD2-CB 3.46Å; D49-S144 PolarHBondContact OD2-N 2.79Å; D49-S144 PolarHBondContact OD2-OG 3.46Å; P115-S144 WeakPolarHBondContact CG-OG 3.36Å; W116-S144 PolarHBondContact NE1-OG 3.41Å; S141-S144 PolarHBondContact O-N 3.2Å; S144-L147 PolarHBondContact O-N 3.17Å; S144-L148 VanDerWaalsContact O-CB 3.23Å; S144-L148 WeakPolarHBondContact O-CB 3.37Å; S144-L148 PolarHBondContact O-N 2.94Å |
| 145 | A | 98.7 | Very high | 98.5 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P137 S141 E142 L148 K149 | P137-A145 HydrophobicContact CB-CB 3.85Å; P137-A145 HydrophobicContact CG-CB 3.8Å; S141-A145 WeakPolarHBondContact O-CB 3.48Å; S141-A145 PolarHBondContact O-N 2.93Å; E142-A145 PolarHBondContact O-N 3.38Å; A145-L148 PolarHBondContact O-N 3.49Å; A145-K149 WeakPolarHBondContact O-CB 3.45Å; A145-K149 PolarHBondContact O-N 3.03Å |
| 146 | S | 98.7 | Very high | 98.5 | Very high | 67 Ų | 67 | 39.8 Ų | 39.8 | 47% | 0.469 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.6 | -44.6 | 177.6 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | E142 H143 K149 A150 | E142-S146 VanDerWaalsContact O-CB 3.3Å; E142-S146 WeakPolarHBondContact O-CB 3.48Å; E142-S146 PolarHBondContact O-N 3.48Å; E142-S146 PolarHBondContact O-OG 3.09Å; H143-S146 PolarHBondContact O-N 3.09Å; S146-K149 PolarHBondContact O-N 3.02Å; S146-A150 PolarHBondContact O-N 2.83Å |
| 147 | L | 98.7 | Very high | 98.5 | Very high | 28 Ų | 28 | 40.7 Ų | 40.7 | 15% | 0.147 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65 | -43 | 177.8 | -174.8 | 60.8 | 0 | 0 | 0 | 111.4 | E41 I42 A45 W116 H143 S144 K149 A150 L151 | E41-L147 HydrophobicContact CB-CD1 4.46Å; E41-L147 HydrophobicContact CB-CD2 3.96Å; E41-L147 WeakPolarHBondContact O-CD2 3.41Å; I42-L147 HydrophobicContact CG1-CD2 4.33Å; A45-L147 HydrophobicContact CB-CD2 3.97Å; W116-L147 HydrophobicContact CH2-CB 4.46Å; W116-L147 HydrophobicContact CH2-CD2 4.21Å; W116-L147 HydrophobicContact CH2-CG 4.1Å; W116-L147 HydrophobicContact CZ2-CB 4.14Å; W116-L147 HydrophobicContact CZ2-CD2 3.84Å; W116-L147 HydrophobicContact CZ2-CG 4.04Å; H143-L147 VanDerWaalsContact O-CB 3.3Å; H143-L147 WeakPolarHBondContact O-CB 3.29Å; H143-L147 PolarHBondContact O-N 3.48Å; S144-L147 PolarHBondContact O-N 3.17Å; L147-K149 VanDerWaalsContact C-N 3.35Å; L147-K149 PolarHBondContact O-N 2.99Å; L147-A150 PolarHBondContact O-N 2.86Å; L147-L151 HydrophobicContact CD1-CD1 3.65Å; L147-L151 HydrophobicContact CD1-CD2 4.47Å; L147-L151 HydrophobicContact CD1-CG 3.83Å; L147-L151 HydrophobicContact CD2-CD1 4.3Å; L147-L151 HydrophobicContact CG-CD1 3.7Å; L147-L151 HydrophobicContact CG-CG 4.2Å; L147-L151 WeakPolarHBondContact O-CB 3.32Å; L147-L151 WeakPolarHBondContact O-CG 3.36Å; L147-L151 PolarHBondContact O-N 3.43Å |
| 148 | L | 98.4 | Very high | 98.5 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62 | -42 | 176.8 | -169.6 | 145.7 | 0 | 0 | 0 | 111.4 | W116 T119 L120 V135 P137 S144 A145 A150 L151 L152 V163 | W116-L148 HydrophobicContact CE3-CD1 4.22Å; W116-L148 HydrophobicContact CH2-CB 4.04Å; W116-L148 HydrophobicContact CZ2-CB 4.45Å; W116-L148 HydrophobicContact CZ3-CB 4.36Å; W116-L148 HydrophobicContact CZ3-CD1 4.18Å; W116-L148 HydrophobicContact CZ3-CG 4.41Å; T119-L148 HydrophobicContact CG2-CD1 3.91Å; L120-L148 HydrophobicContact CD2-CD1 4.08Å; L120-L148 HydrophobicContact CG-CD1 4.44Å; V135-L148 HydrophobicContact CG1-CD2 3.93Å; P137-L148 HydrophobicContact CG-CD2 4.43Å; S144-L148 VanDerWaalsContact O-CB 3.23Å; S144-L148 WeakPolarHBondContact O-CB 3.37Å; S144-L148 PolarHBondContact O-N 2.94Å; A145-L148 PolarHBondContact O-N 3.49Å; L148-A150 VanDerWaalsContact C-N 3.32Å; L148-A150 PolarHBondContact O-N 2.97Å; L148-L151 PolarHBondContact O-N 2.94Å; L148-L152 HydrophobicContact CD2-CD2 4.47Å; L148-L152 VanDerWaalsContact O-CB 3.3Å; L148-L152 WeakPolarHBondContact O-CB 3.44Å; L148-L152 PolarHBondContact O-N 2.83Å; L148-V163 HydrophobicContact CD2-CB 4.39Å; L148-V163 HydrophobicContact CD2-CG1 3.72Å; L148-V163 HydrophobicContact CD2-CG2 3.69Å |
| 149 | K | 98.4 | Very high | 98.5 | Very high | 92 Ų | 92 | 51.3 Ų | 51.3 | 40% | 0.4 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.1 | -38.2 | 174.2 | 176.7 | 60.1 | 173.9 | 177.6 | 0 | 112.6 | A145 S146 L147 P153 V163 T165 | A145-K149 WeakPolarHBondContact O-CB 3.45Å; A145-K149 PolarHBondContact O-N 3.03Å; S146-K149 PolarHBondContact O-N 3.02Å; L147-K149 VanDerWaalsContact C-N 3.35Å; L147-K149 PolarHBondContact O-N 2.99Å; K149-P153 VanDerWaalsContact O-CD 3.3Å; K149-P153 WeakPolarHBondContact O-CD 3.45Å; K149-V163 HydrophobicContact CB-CB 4.45Å; K149-V163 HydrophobicContact CB-CG1 3.99Å; K149-V163 HydrophobicContact CD-CB 3.67Å; K149-V163 HydrophobicContact CD-CG1 3.9Å; K149-V163 WeakPolarHBondContact CD-O 3.46Å; K149-V163 PolarHBondContact NZ-O 2.97Å; K149-T165 HydrophobicContact CB-CG2 3.8Å; K149-T165 HydrophobicContact CD-CG2 4.42Å; K149-T165 HydrophobicContact CG-CG2 4.06Å |
| 150 | A | 98.6 | Very high | 98.5 | Very high | 55 Ų | 55 | 47.7 Ų | 47.7 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -74.7 | -40.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S146 L147 L148 Q154 | S146-A150 PolarHBondContact O-N 2.83Å; L147-A150 PolarHBondContact O-N 2.86Å; L148-A150 VanDerWaalsContact C-N 3.32Å; L148-A150 PolarHBondContact O-N 2.97Å; A150-Q154 PolarHBondContact O-NE2 3.2Å |
| 151 | L | 98.6 | Very high | 98.6 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -86 | -43.1 | -172.3 | -67 | -179.9 | 0 | 0 | 0 | 113.5 | L34 R38 W116 L147 L148 P153 Q154 Y155 | L34-L151 HydrophobicContact CD1-CB 4.04Å; L34-L151 HydrophobicContact CG-CB 4.42Å; R38-L151 HydrophobicContact CB-CD1 3.85Å; R38-L151 HydrophobicContact CG-CD1 3.88Å; R38-L151 HydrophobicContact CG-CD2 4.19Å; W116-L151 HydrophobicContact CH2-CD1 4.45Å; L147-L151 HydrophobicContact CD1-CD1 3.65Å; L147-L151 HydrophobicContact CD1-CD2 4.47Å; L147-L151 HydrophobicContact CD1-CG 3.83Å; L147-L151 HydrophobicContact CD2-CD1 4.3Å; L147-L151 HydrophobicContact CG-CD1 3.7Å; L147-L151 HydrophobicContact CG-CG 4.2Å; L147-L151 WeakPolarHBondContact O-CB 3.32Å; L147-L151 WeakPolarHBondContact O-CG 3.36Å; L147-L151 PolarHBondContact O-N 3.43Å; L148-L151 PolarHBondContact O-N 2.94Å; L151-P153 VanDerWaalsContact C-CD 3.46Å; L151-P153 VanDerWaalsContact C-N 3.35Å; L151-Q154 WeakPolarHBondContact O-CB 3.46Å; L151-Q154 PolarHBondContact O-N 2.76Å; L151-Y155 WeakPolarHBondContact O-CD2 3.41Å |
| 152 | L | 98.4 | Very high | 98.6 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.1 | -43.6 | -170.5 | -156.9 | 73.5 | 0 | 0 | 0 | 113.4 | L31 L34 L120 L123 V135 L148 Q154 Y155 L156 V163 | L31-L152 HydrophobicContact CD1-CD1 4.09Å; L34-L152 HydrophobicContact CD1-CD1 4.07Å; L120-L152 HydrophobicContact CD2-CD1 4.3Å; L123-L152 HydrophobicContact CD2-CD1 4.29Å; L123-L152 HydrophobicContact CD2-CD2 4.21Å; V135-L152 HydrophobicContact CG2-CD2 4.1Å; L148-L152 HydrophobicContact CD2-CD2 4.47Å; L148-L152 VanDerWaalsContact O-CB 3.3Å; L148-L152 WeakPolarHBondContact O-CB 3.44Å; L148-L152 PolarHBondContact O-N 2.83Å; L152-Q154 PolarHBondContact O-N 3.48Å; L152-Y155 PolarHBondContact O-N 3.28Å; L152-L156 HydrophobicContact CD1-CD1 3.7Å; L152-L156 HydrophobicContact CD1-CG 4.19Å; L152-L156 HydrophobicContact CD2-CD1 4.42Å; L152-L156 HydrophobicContact CG-CD1 3.95Å; L152-L156 HydrophobicContact CG-CG 4.35Å; L152-L156 PolarHBondContact O-N 2.88Å; L152-V163 HydrophobicContact CB-CG2 3.75Å; L152-V163 HydrophobicContact CD2-CG2 3.39Å; L152-V163 HydrophobicContact CG-CG2 4.2Å |
| 153 | P | 98.3 | Very high | 98.6 | Very high | 51 Ų | 51 | 39.4 Ų | 39.4 | 33% | 0.331 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.7 | -14 | 178.2 | -20.4 | 34.5 | 0 | 0 | 0 | 115.3 | K149 L151 K158 | K149-P153 VanDerWaalsContact O-CD 3.3Å; K149-P153 WeakPolarHBondContact O-CD 3.45Å; L151-P153 VanDerWaalsContact C-CD 3.46Å; L151-P153 VanDerWaalsContact C-N 3.35Å; P153-K158 HydrophobicContact CB-CB 4.06Å |
| 154 | Q | 98.6 | Very high | 98.6 | Very high | 125 Ų | 125 | 36 Ų | 36 | 58% | 0.584 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -83.1 | -21.8 | 177.5 | -56.7 | -180 | 41.2 | 0 | 0 | 112.2 | A150 L151 L152 | A150-Q154 PolarHBondContact O-NE2 3.2Å; L151-Q154 WeakPolarHBondContact O-CB 3.46Å; L151-Q154 PolarHBondContact O-N 2.76Å; L152-Q154 PolarHBondContact O-N 3.48Å |
| 155 | Y | 98.8 | Very high | 98.5 | Very high | 19 Ų | 19 | 38.3 Ų | 38.3 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -111.5 | -39.7 | -175.4 | -71.3 | -93.9 | 0 | 0 | 0 | 112.6 | S30 R33 L34 E37 R38 L151 L152 | S30-Y155 WeakPolarHBondContact CB-O 3.39Å; S30-Y155 WeakPolarHBondContact O-CD1 3.36Å; S30-Y155 PolarHBondContact OG-O 3.42Å; R33-Y155 HydrophobicContact CB-CD1 4.18Å; R33-Y155 HydrophobicContact CB-CE1 4.12Å; L34-Y155 HydrophobicContact CB-CD1 3.83Å; L34-Y155 HydrophobicContact CB-CD2 3.84Å; L34-Y155 HydrophobicContact CB-CE1 4.19Å; L34-Y155 HydrophobicContact CB-CE2 4.2Å; L34-Y155 HydrophobicContact CB-CG 3.65Å; L34-Y155 HydrophobicContact CD1-CD2 3.77Å; L34-Y155 HydrophobicContact CD1-CE2 4.47Å; L34-Y155 HydrophobicContact CD1-CG 4.1Å; L34-Y155 HydrophobicContact CG-CD2 3.85Å; L34-Y155 HydrophobicContact CG-CE2 4.14Å; L34-Y155 HydrophobicContact CG-CG 4.17Å; E37-Y155 WeakPolarHBondContact OE2-CE1 3.32Å; E37-Y155 PolarHBondContact OE2-OH 2.95Å; R38-Y155 HydrophobicContact CG-CE2 4.35Å; R38-Y155 PolarHBondContact NE-OH 3.21Å; L151-Y155 WeakPolarHBondContact O-CD2 3.41Å; L152-Y155 PolarHBondContact O-N 3.28Å |
| 156 | L | 98.8 | Very high | 98.4 | Very high | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -101 | 164.3 | -177.7 | -60.7 | -168.4 | 0 | 0 | 0 | 112.2 | Q27 L31 L123 I127 L152 K158 Y161 | Q27-L156 HydrophobicContact CB-CD2 4.35Å; Q27-L156 VanDerWaalsContact O-CD2 3.24Å; Q27-L156 WeakPolarHBondContact O-CD2 3.25Å; L31-L156 HydrophobicContact CB-CD2 4.17Å; L31-L156 HydrophobicContact CD1-CD1 4.41Å; L123-L156 HydrophobicContact CD2-CD1 4.17Å; I127-L156 HydrophobicContact CD1-CD1 4.03Å; L152-L156 HydrophobicContact CD1-CD1 3.7Å; L152-L156 HydrophobicContact CD1-CG 4.19Å; L152-L156 HydrophobicContact CD2-CD1 4.42Å; L152-L156 HydrophobicContact CG-CD1 3.95Å; L152-L156 HydrophobicContact CG-CG 4.35Å; L152-L156 PolarHBondContact O-N 2.88Å; L156-K158 PolarHBondContact O-N 2.71Å; L156-Y161 HydrophobicContact CB-CD2 3.97Å; L156-Y161 HydrophobicContact CD1-CD2 4.24Å; L156-Y161 HydrophobicContact CD1-CG 4.24Å |
| 157 | D | 98.6 | Very high | 98.3 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 14% | 0.139 | 20% | 0.197 | C | C | . | . | trans | -59.2 | 107.5 | 167.7 | -176 | -46.5 | 0 | 0 | 0 | 110.4 | R17 F23 E159 L160 Y161 | R17-D157 IonicContact CZ-OD1 2.83Å; R17-D157 IonicContact CZ-OD2 3.34Å; R17-D157 IonicContact NE-OD2 3.44Å; R17-D157 PolarHBondContact NE-OD2 3.44Å; R17-D157 IonicContact NH2-OD1 3.37Å; R17-D157 PolarHBondContact NH2-OD1 3.49Å; R17-D157 IonicContact NH2-OD2 2.73Å; R17-D157 PolarHBondContact NH2-OD2 3.48Å; F23-D157 HydrophobicContact CZ-CB 4.07Å; D157-E159 PolarHBondContact O-N 3.36Å; D157-E159 PolarHBondContact OD1-N 2.97Å; D157-L160 HydrophobicContact CB-CB 4.16Å; D157-L160 HydrophobicContact CB-CD1 4.23Å; D157-L160 PolarHBondContact O-N 3.14Å; D157-L160 PolarHBondContact OD1-N 2.95Å; D157-Y161 HydrophobicContact CB-CD2 3.99Å; D157-Y161 HydrophobicContact CB-CE2 4.08Å; D157-Y161 WeakPolarHBondContact O-CD2 3.41Å; D157-Y161 PolarHBondContact O-N 3.31Å | ||
| 158 | K | 97.9 | Very high | 98.2 | Very high | 147 Ų | 147 | 39.2 Ų | 39.2 | 64% | 0.639 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -20 | -173.4 | 67.5 | -178.3 | -179.7 | 180 | 0 | 115 | P153 L156 | P153-K158 HydrophobicContact CB-CB 4.06Å; L156-K158 PolarHBondContact O-N 2.71Å |
| 159 | E | 98.4 | Very high | 98.2 | Very high | 90 Ų | 90 | 43.1 Ų | 43.1 | 42% | 0.421 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -37.7 | 178.5 | -46.1 | 174.4 | 121.1 | 0 | 0 | 110.2 | A9 A12 R17 D157 P162 | A9-E159 WeakPolarHBondContact CA-O 3.22Å; A12-E159 HydrophobicContact CB-CB 3.79Å; R17-E159 IonicContact CZ-OE2 3.72Å; R17-E159 VanDerWaalsContact CZ-OE2 3.25Å; R17-E159 IonicContact NH1-OE2 3.07Å; R17-E159 PolarHBondContact NH1-OE2 3.21Å; R17-E159 IonicContact NH2-OE2 3.4Å; R17-E159 PolarHBondContact NH2-OE2 2.86Å; D157-E159 PolarHBondContact O-N 3.36Å; D157-E159 PolarHBondContact OD1-N 2.97Å; E159-P162 WeakPolarHBondContact O-CD 3.36Å |
| 160 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -31.3 | 175.6 | -75.2 | 172 | 0 | 0 | 0 | 113.3 | A12 F13 R17 F23 A132 A133 D157 | A12-L160 HydrophobicContact CB-CD2 3.78Å; A12-L160 HydrophobicContact CB-CG 4.01Å; F13-L160 HydrophobicContact CB-CD2 4.4Å; R17-L160 HydrophobicContact CG-CD1 3.96Å; F23-L160 HydrophobicContact CE1-CD1 3.53Å; F23-L160 HydrophobicContact CZ-CD1 3.59Å; A132-L160 CarbonylContact C-O 3.5Å; A132-L160 WeakPolarHBondContact CA-O 3.45Å; A132-L160 HydrophobicContact CB-CD2 3.76Å; A132-L160 WeakPolarHBondContact CB-O 3.4Å; A133-L160 PolarHBondContact N-O 2.85Å; D157-L160 HydrophobicContact CB-CB 4.16Å; D157-L160 HydrophobicContact CB-CD1 4.23Å; D157-L160 PolarHBondContact O-N 3.14Å; D157-L160 PolarHBondContact OD1-N 2.95Å |
| 161 | Y | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -126.9 | 54.2 | -171.9 | -47.9 | -64.5 | 0 | 0 | 0 | 113.4 | Q27 L123 I127 N131 A133 L156 D157 | Q27-Y161 HydrophobicContact CB-CE2 4.39Å; Q27-Y161 HydrophobicContact CG-CE2 3.91Å; L123-Y161 HydrophobicContact CD1-CD1 4.05Å; I127-Y161 HydrophobicContact CD1-CE1 4.43Å; I127-Y161 HydrophobicContact CG1-CD1 4.09Å; I127-Y161 HydrophobicContact CG1-CE1 3.54Å; I127-Y161 HydrophobicContact CG1-CE2 4.39Å; N131-Y161 WeakPolarHBondContact O-CE1 3.37Å; N131-Y161 PolarHBondContact O-OH 3.41Å; A133-Y161 HydrophobicContact CB-CD1 4.19Å; A133-Y161 VanDerWaalsContact O-CA 3.3Å; A133-Y161 WeakPolarHBondContact O-CA 3.3Å; L156-Y161 HydrophobicContact CB-CD2 3.97Å; L156-Y161 HydrophobicContact CD1-CD2 4.24Å; L156-Y161 HydrophobicContact CD1-CG 4.24Å; D157-Y161 HydrophobicContact CB-CD2 3.99Å; D157-Y161 HydrophobicContact CB-CE2 4.08Å; D157-Y161 WeakPolarHBondContact O-CD2 3.41Å; D157-Y161 PolarHBondContact O-N 3.31Å |
| 162 | P | 98.6 | Very high | 98.1 | Very high | 16 Ų | 16 | 44.3 Ų | 44.3 | 10% | 0.104 | 24% | 0.239 | C | C | . | . | trans | -73.3 | 149.6 | -178.9 | 32.6 | -37.2 | 0 | 0 | 0 | 111.9 | T5 A9 A133 V134 V135 E159 | T5-P162 HydrophobicContact CG2-CB 3.54Å; T5-P162 HydrophobicContact CG2-CG 3.49Å; T5-P162 VanDerWaalsContact CG2-CG 3.49Å; A9-P162 HydrophobicContact CB-CG 4.18Å; A133-P162 WeakPolarHBondContact O-CD 3.23Å; V134-P162 HydrophobicContact CG2-CG 4.09Å; V135-P162 PolarHBondContact N-O 3.44Å; E159-P162 WeakPolarHBondContact O-CD 3.36Å | ||
| 163 | V | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -102.1 | 131.6 | 174.2 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | V135 P137 L148 K149 L152 T165 | V135-V163 HydrophobicContact CB-CG2 4.33Å; V135-V163 CarbonylContact O-C 3.55Å; V135-V163 VanDerWaalsContact O-CA 3.29Å; V135-V163 WeakPolarHBondContact O-CA 3.29Å; P137-V163 HydrophobicContact CG-CG1 4.06Å; L148-V163 HydrophobicContact CD2-CB 4.39Å; L148-V163 HydrophobicContact CD2-CG1 3.72Å; L148-V163 HydrophobicContact CD2-CG2 3.69Å; K149-V163 HydrophobicContact CB-CB 4.45Å; K149-V163 HydrophobicContact CB-CG1 3.99Å; K149-V163 HydrophobicContact CD-CB 3.67Å; K149-V163 HydrophobicContact CD-CG1 3.9Å; K149-V163 WeakPolarHBondContact CD-O 3.46Å; K149-V163 PolarHBondContact NZ-O 2.97Å; L152-V163 HydrophobicContact CB-CG2 3.75Å; L152-V163 HydrophobicContact CD2-CG2 3.39Å; L152-V163 HydrophobicContact CG-CG2 4.2Å; V163-T165 HydrophobicContact CG1-CG2 4.36Å |
| 164 | V | 98.3 | Very high | 98 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | trans | -116 | 115 | 173 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | E2 T5 V134 V135 K136 L174 | E2-V164 HydrophobicContact CG-CG1 4.37Å; T5-V164 HydrophobicContact CG2-CG2 3.73Å; V134-V164 HydrophobicContact CG1-CB 4.38Å; V134-V164 HydrophobicContact CG1-CG2 3.68Å; V135-V164 PolarHBondContact O-N 3.41Å; K136-V164 WeakPolarHBondContact CA-O 3.39Å; V164-L174 HydrophobicContact CB-CD2 4.44Å; V164-L174 HydrophobicContact CG1-CD2 4.46Å | ||
| 165 | T | 98.1 | Very high | 98 | Very high | 52 Ų | 52 | 39.3 Ų | 39.3 | 32% | 0.319 | 21% | 0.212 | S | C | . | . | trans | -96.4 | 151.6 | 174.6 | 52 | 0 | 0 | 0 | 0 | 110 | P137 K149 V163 | P137-T165 HydrophobicContact CG-CG2 4.15Å; K149-T165 HydrophobicContact CB-CG2 3.8Å; K149-T165 HydrophobicContact CD-CG2 4.42Å; K149-T165 HydrophobicContact CG-CG2 4.06Å; V163-T165 HydrophobicContact CG1-CG2 4.36Å | ||
| 166 | G | 96.5 | Very high | 98 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | trans | 151.5 | 168.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K136 | K136-G166 WeakPolarHBondContact CE-O 3.24Å; K136-G166 PolarHBondContact NZ-O 3.22Å | ||
| 167 | G | 95.9 | Very high | 98 | Very high | 17 Ų | 17 | 45.4 Ų | 45.4 | 18% | 0.175 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -90.1 | -146.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E170 T171 | G167-E170 PolarHBondContact N-OE2 3.46Å; G167-T171 WeakPolarHBondContact O-CB 3.47Å; G167-T171 PolarHBondContact O-N 3.22Å; G167-T171 PolarHBondContact O-OG1 3.32Å |
| 168 | V | 96.4 | Very high | 98 | Very high | 86 Ų | 86 | 51.5 Ų | 51.5 | 52% | 0.521 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 177.8 | 177.7 | 0 | 0 | 0 | 0 | 112.9 | E170 T171 Q172 | V168-E170 PolarHBondContact O-N 2.96Å; V168-T171 PolarHBondContact O-N 2.98Å; V168-Q172 HydrophobicContact CG1-CG 4.25Å; V168-Q172 WeakPolarHBondContact O-CG 3.47Å; V168-Q172 PolarHBondContact O-N 3.33Å |
| 169 | P | 97.8 | Very high | 98.1 | Very high | 84 Ų | 84 | 44.6 Ų | 44.6 | 55% | 0.545 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.3 | -45.8 | -177.7 | -24.3 | 35.6 | 0 | 0 | 0 | 113.3 | Q172 E173 | P169-Q172 PolarHBondContact O-N 3.19Å; P169-E173 PolarHBondContact O-N 3.44Å |
| 170 | E | 98.2 | Very high | 98.1 | Very high | 66 Ų | 66 | 41.9 Ų | 41.9 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.7 | -39.5 | 178.9 | -61.9 | 76.6 | -168.1 | 0 | 0 | 110.8 | G167 V168 Q172 E173 L174 | G167-E170 PolarHBondContact N-OE2 3.46Å; V168-E170 PolarHBondContact O-N 2.96Å; E170-Q172 VanDerWaalsContact C-N 3.34Å; E170-Q172 PolarHBondContact O-N 3.37Å; E170-E173 PolarHBondContact O-N 2.86Å; E170-L174 WeakPolarHBondContact O-CB 3.09Å; E170-L174 PolarHBondContact O-N 2.89Å |
| 171 | T | 98 | Very high | 98.1 | Very high | 20 Ų | 20 | 42 Ų | 42 | 12% | 0.123 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 175.6 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | I109 K136 G167 V168 L174 L175 | I109-T171 HydrophobicContact CD1-CG2 4.25Å; K136-T171 WeakPolarHBondContact CE-OG1 3.44Å; K136-T171 PolarHBondContact NZ-OG1 2.93Å; G167-T171 WeakPolarHBondContact O-CB 3.47Å; G167-T171 PolarHBondContact O-N 3.22Å; G167-T171 PolarHBondContact O-OG1 3.32Å; V168-T171 PolarHBondContact O-N 2.98Å; T171-L174 PolarHBondContact O-N 3.45Å; T171-L175 HydrophobicContact CG2-CD1 4.14Å; T171-L175 HydrophobicContact CG2-CG 4.49Å; T171-L175 WeakPolarHBondContact O-CB 3.44Å; T171-L175 VanDerWaalsContact O-CG 3.3Å; T171-L175 WeakPolarHBondContact O-CG 3.48Å; T171-L175 PolarHBondContact O-N 2.71Å |
| 172 | Q | 97.4 | Very high | 98.1 | Very high | 93 Ų | 93 | 42.1 Ų | 42.1 | 44% | 0.435 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.2 | -41.3 | 176.1 | -74.9 | 179.2 | -3 | 0 | 0 | 112.2 | V168 P169 E170 L174 L175 R176 | V168-Q172 HydrophobicContact CG1-CG 4.25Å; V168-Q172 WeakPolarHBondContact O-CG 3.47Å; V168-Q172 PolarHBondContact O-N 3.33Å; P169-Q172 PolarHBondContact O-N 3.19Å; E170-Q172 VanDerWaalsContact C-N 3.34Å; E170-Q172 PolarHBondContact O-N 3.37Å; Q172-L174 VanDerWaalsContact C-N 3.34Å; Q172-L175 PolarHBondContact O-N 2.71Å; Q172-R176 WeakPolarHBondContact O-CG 3.43Å; Q172-R176 PolarHBondContact O-N 2.88Å |
| 173 | E | 98.1 | Very high | 98.1 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 27% | 0.271 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.9 | -39.4 | 175.7 | -177.9 | 55.5 | -150.8 | 0 | 0 | 111.7 | E2 P169 E170 R176 Q177 | E2-E173 HydrophobicContact CB-CG 3.97Å; E2-E173 HydrophobicContact CG-CB 4.15Å; E2-E173 HydrophobicContact CG-CG 4.02Å; P169-E173 PolarHBondContact O-N 3.44Å; E170-E173 PolarHBondContact O-N 2.86Å; E173-R176 WeakPolarHBondContact O-CB 3.42Å; E173-R176 PolarHBondContact O-N 2.81Å; E173-R176 WeakPolarHBondContact OE2-CD 3.26Å; E173-R176 IonicContact OE2-CZ 3.75Å; E173-R176 IonicContact OE2-NE 3.79Å; E173-R176 IonicContact OE2-NH1 3.26Å; E173-R176 PolarHBondContact OE2-NH1 3.24Å; E173-Q177 PolarHBondContact O-NE2 3.49Å; E173-Q177 PolarHBondContact OE1-NE2 3.28Å |
| 174 | L | 98.1 | Very high | 98.1 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -46.2 | 175.1 | -165 | 60.8 | 0 | 0 | 0 | 111.1 | E2 V6 L107 V134 K136 V164 E170 T171 Q172 R176 Q177 F179 | E2-L174 HydrophobicContact CB-CD1 4.12Å; E2-L174 HydrophobicContact CG-CB 4.48Å; V6-L174 HydrophobicContact CG2-CD1 3.66Å; L107-L174 HydrophobicContact CD1-CD2 3.39Å; L107-L174 HydrophobicContact CD1-CG 3.94Å; L107-L174 HydrophobicContact CD2-CD2 4.36Å; L107-L174 HydrophobicContact CD2-CG 4.27Å; V134-L174 HydrophobicContact CG1-CD1 4.23Å; V134-L174 HydrophobicContact CG1-CD2 4.32Å; K136-L174 HydrophobicContact CB-CD2 4.14Å; K136-L174 HydrophobicContact CG-CD2 4.17Å; V164-L174 HydrophobicContact CB-CD2 4.44Å; V164-L174 HydrophobicContact CG1-CD2 4.46Å; E170-L174 WeakPolarHBondContact O-CB 3.09Å; E170-L174 PolarHBondContact O-N 2.89Å; T171-L174 PolarHBondContact O-N 3.45Å; Q172-L174 VanDerWaalsContact C-N 3.34Å; L174-R176 PolarHBondContact O-N 2.85Å; L174-R176 VanDerWaalsContact O-N 3.16Å; L174-Q177 WeakPolarHBondContact O-CB 3.18Å; L174-Q177 WeakPolarHBondContact O-CG 3.43Å; L174-Q177 PolarHBondContact O-N 2.9Å; L174-F179 HydrophobicContact CD1-CE2 4.41Å; L174-F179 HydrophobicContact CD1-CZ 3.85Å; L174-F179 HydrophobicContact CG-CE2 4.26Å; L174-F179 HydrophobicContact CG-CZ 4.04Å; L174-F179 WeakPolarHBondContact O-CE2 3.33Å |
| 175 | L | 98.6 | Very high | 98.2 | Very high | 12 Ų | 12 | 42 Ų | 42 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.6 | -15.6 | 178.1 | -75.3 | 171.7 | 0 | 0 | 0 | 114.4 | L107 I109 T171 Q172 Q177 I182 V194 A197 | L107-L175 HydrophobicContact CD2-CD2 3.92Å; I109-L175 HydrophobicContact CD1-CD2 4.2Å; T171-L175 HydrophobicContact CG2-CD1 4.14Å; T171-L175 HydrophobicContact CG2-CG 4.49Å; T171-L175 WeakPolarHBondContact O-CB 3.44Å; T171-L175 VanDerWaalsContact O-CG 3.3Å; T171-L175 WeakPolarHBondContact O-CG 3.48Å; T171-L175 PolarHBondContact O-N 2.71Å; Q172-L175 PolarHBondContact O-N 2.71Å; L175-Q177 VanDerWaalsContact C-N 3.3Å; L175-I182 HydrophobicContact CD2-CD1 4.15Å; L175-I182 HydrophobicContact CD2-CG2 4.49Å; L175-V194 HydrophobicContact CD1-CG2 4.14Å; L175-V194 HydrophobicContact CD2-CG1 4.25Å; L175-V194 HydrophobicContact CD2-CG2 4.41Å; L175-A197 HydrophobicContact CB-CB 3.84Å; L175-A197 HydrophobicContact CD1-CB 4.5Å; L175-A197 HydrophobicContact CD2-CB 4.34Å; L175-A197 HydrophobicContact CG-CB 4.46Å |
| 176 | R | 98.4 | Very high | 98.2 | Very high | 134 Ų | 134 | 40.5 Ų | 40.5 | 51% | 0.506 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -74 | -24.3 | 170.7 | -69.6 | 173.9 | -172.5 | 118.2 | 8.4 | 112.3 | Q172 E173 L174 H201 | Q172-R176 WeakPolarHBondContact O-CG 3.43Å; Q172-R176 PolarHBondContact O-N 2.88Å; E173-R176 WeakPolarHBondContact O-CB 3.42Å; E173-R176 PolarHBondContact O-N 2.81Å; E173-R176 WeakPolarHBondContact OE2-CD 3.26Å; E173-R176 IonicContact OE2-CZ 3.75Å; E173-R176 IonicContact OE2-NE 3.79Å; E173-R176 IonicContact OE2-NH1 3.26Å; E173-R176 PolarHBondContact OE2-NH1 3.24Å; L174-R176 PolarHBondContact O-N 2.85Å; L174-R176 VanDerWaalsContact O-N 3.16Å; R176-H201 PolarHBondContact O-NE2 3.01Å |
| 177 | Q | 98.7 | Very high | 98.2 | Very high | 24 Ų | 24 | 42.9 Ų | 42.9 | 11% | 0.112 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -74.8 | 158.8 | -178.6 | -45.9 | -47.5 | -54.1 | 0 | 0 | 111.1 | V6 E173 L174 L175 F179 | V6-Q177 HydrophobicContact CB-CB 4.26Å; V6-Q177 HydrophobicContact CB-CG 4.4Å; V6-Q177 HydrophobicContact CG1-CB 4.07Å; V6-Q177 HydrophobicContact CG2-CB 3.98Å; V6-Q177 HydrophobicContact CG2-CG 3.97Å; E173-Q177 PolarHBondContact O-NE2 3.49Å; E173-Q177 PolarHBondContact OE1-NE2 3.28Å; L174-Q177 WeakPolarHBondContact O-CB 3.18Å; L174-Q177 WeakPolarHBondContact O-CG 3.43Å; L174-Q177 PolarHBondContact O-N 2.9Å; L175-Q177 VanDerWaalsContact C-N 3.3Å; Q177-F179 HydrophobicContact CB-CE2 4.09Å |
| 178 | R | 98.8 | Very high | 98.3 | Very high | 153 Ų | 153 | 43.9 Ų | 43.9 | 58% | 0.577 | 22% | 0.22 | S | C | * | . | trans | -84.4 | 122.8 | 178.9 | -176.9 | 173.2 | 177 | 178.4 | 0.4 | 110.3 | R10 H201 | R10-R178 PolarHBondContact NH2-O 2.94Å; R178-H201 HydrophobicContact CG-CB 4.27Å | ||
| 179 | F | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | trans | -118.4 | 156.9 | 169.4 | -66.1 | -80.2 | 0 | 0 | 0 | 110.4 | V6 V105 L107 V134 L174 Q177 I182 T203 | V6-F179 HydrophobicContact CG1-CE1 4.08Å; V6-F179 HydrophobicContact CG1-CZ 4.22Å; V6-F179 HydrophobicContact CG2-CE1 3.92Å; V6-F179 HydrophobicContact CG2-CE2 4.39Å; V6-F179 HydrophobicContact CG2-CZ 3.49Å; V6-F179 VanDerWaalsContact CG2-CZ 3.49Å; V105-F179 HydrophobicContact CB-CD1 4.33Å; V105-F179 HydrophobicContact CG1-CD1 3.87Å; V105-F179 HydrophobicContact CG1-CE1 4.01Å; L107-F179 HydrophobicContact CB-CB 4.43Å; L107-F179 HydrophobicContact CB-CD1 3.68Å; L107-F179 HydrophobicContact CB-CD2 3.85Å; L107-F179 HydrophobicContact CB-CE1 3.77Å; L107-F179 HydrophobicContact CB-CE2 3.93Å; L107-F179 HydrophobicContact CB-CG 3.71Å; L107-F179 HydrophobicContact CB-CZ 3.88Å; L107-F179 HydrophobicContact CD1-CE1 4.42Å; L107-F179 HydrophobicContact CD1-CE2 4.45Å; L107-F179 HydrophobicContact CD1-CZ 4.05Å; L107-F179 HydrophobicContact CD2-CD2 4.03Å; L107-F179 HydrophobicContact CD2-CE2 3.7Å; L107-F179 HydrophobicContact CD2-CZ 4.14Å; L107-F179 HydrophobicContact CG-CE2 4.23Å; L107-F179 HydrophobicContact CG-CZ 4.23Å; V134-F179 HydrophobicContact CB-CE1 4.05Å; V134-F179 HydrophobicContact CB-CZ 4.48Å; V134-F179 HydrophobicContact CG2-CE1 3.88Å; V134-F179 HydrophobicContact CG2-CZ 4.49Å; L174-F179 HydrophobicContact CD1-CE2 4.41Å; L174-F179 HydrophobicContact CD1-CZ 3.85Å; L174-F179 HydrophobicContact CG-CE2 4.26Å; L174-F179 HydrophobicContact CG-CZ 4.04Å; L174-F179 WeakPolarHBondContact O-CE2 3.33Å; Q177-F179 HydrophobicContact CB-CE2 4.09Å; F179-I182 HydrophobicContact CB-CG1 4.04Å; F179-I182 HydrophobicContact CD2-CG1 4.34Å; F179-I182 HydrophobicContact CG-CG1 4.45Å; F179-T203 HydrophobicContact CB-CG2 4.25Å; F179-T203 WeakPolarHBondContact O-CG2 3.3Å; F179-T203 PolarHBondContact O-OG1 3.13Å | ||
| 180 | D | 98.9 | Very high | 98.4 | Very high | 34 Ų | 34 | 43.2 Ų | 43.2 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -92.8 | -14 | 177.6 | -54.7 | -73.3 | 0 | 0 | 0 | 111.2 | R10 L103 G104 V105 P204 | R10-D180 IonicContact CZ-OD2 3.62Å; R10-D180 IonicContact NH1-OD1 2.66Å; R10-D180 IonicContact NH1-OD2 2.76Å; R10-D180 PolarHBondContact NH1-OD2 3.46Å; R10-D180 IonicContact NH2-OD2 3.96Å; R10-D180 PolarHBondContact NH2-OD2 2.99Å; L103-D180 HydrophobicContact CB-CB 4.03Å; L103-D180 WeakPolarHBondContact O-CB 3.4Å; G104-D180 WeakPolarHBondContact CA-OD2 3.49Å; V105-D180 PolarHBondContact N-OD2 3.46Å; V105-D180 PolarHBondContact O-N 3.46Å; D180-P204 WeakPolarHBondContact O-CD 3.39Å; D180-P204 VanDerWaalsContact O-CG 3.31Å; D180-P204 WeakPolarHBondContact O-CG 3.44Å |
| 181 | H | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 147.9 | 163.8 | -162.8 | 87.2 | 0 | 0 | 0 | 110.4 | L103 V106 L107 P204 T206 L420 | L103-H181 HydrophobicContact CD1-CB 3.78Å; V106-H181 WeakPolarHBondContact CA-O 3.47Å; V106-H181 HydrophobicContact CG1-CB 4.27Å; V106-H181 HydrophobicContact CG2-CB 4.12Å; L107-H181 PolarHBondContact N-O 2.89Å; H181-P204 WeakPolarHBondContact CA-O 3.33Å; H181-T206 PolarHBondContact NE2-N 2.91Å; H181-T206 PolarHBondContact NE2-OG1 2.88Å; H181-L420 HydrophobicContact CB-CD2 4.16Å; H181-L420 WeakPolarHBondContact CD2-CD2 3.38Å |
| 182 | I | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 121.1 | 169.2 | -60.7 | 161.3 | 0 | 0 | 0 | 109.6 | L107 L175 F179 V194 A198 T203 P204 V205 T206 | L107-I182 HydrophobicContact CB-CB 4.49Å; L107-I182 HydrophobicContact CB-CG1 4.07Å; L107-I182 HydrophobicContact CB-CG2 4.34Å; L107-I182 HydrophobicContact CD2-CG1 4.27Å; L107-I182 HydrophobicContact CD2-CG2 4.09Å; L107-I182 HydrophobicContact CG-CG2 4.33Å; L175-I182 HydrophobicContact CD2-CD1 4.15Å; L175-I182 HydrophobicContact CD2-CG2 4.49Å; F179-I182 HydrophobicContact CB-CG1 4.04Å; F179-I182 HydrophobicContact CD2-CG1 4.34Å; F179-I182 HydrophobicContact CG-CG1 4.45Å; I182-V194 HydrophobicContact CB-CG1 4.47Å; I182-V194 HydrophobicContact CG2-CG1 3.57Å; I182-A198 HydrophobicContact CD1-CB 3.86Å; I182-T203 HydrophobicContact CD1-CG2 4Å; I182-T203 HydrophobicContact CG1-CG2 3.86Å; I182-P204 PolarHBondContact N-O 2.62Å; I182-V205 HydrophobicContact CB-CG1 4.29Å; I182-V205 CarbonylContact O-C 3.59Å; I182-V205 VanDerWaalsContact O-CA 3.24Å; I182-V205 WeakPolarHBondContact O-CA 3.48Å; I182-T206 PolarHBondContact O-N 3.14Å |
| 183 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 119.6 | 173.6 | -162.1 | -67 | 0 | 0 | 0 | 108.8 | L107 I108 I109 P122 T206 E208 Y411 | L107-F183 PolarHBondContact O-N 3.17Å; I108-F183 HydrophobicContact CG1-CB 4.36Å; I109-F183 PolarHBondContact N-O 3.44Å; P122-F183 HydrophobicContact CB-CD1 3.93Å; P122-F183 HydrophobicContact CB-CD2 3.96Å; P122-F183 HydrophobicContact CB-CE1 4.03Å; P122-F183 HydrophobicContact CB-CE2 4.03Å; P122-F183 HydrophobicContact CB-CG 3.92Å; P122-F183 HydrophobicContact CB-CZ 4.08Å; P122-F183 HydrophobicContact CG-CD1 3.77Å; P122-F183 HydrophobicContact CG-CD2 4.47Å; P122-F183 HydrophobicContact CG-CE1 3.49Å; P122-F183 VanDerWaalsContact CG-CE1 3.49Å; P122-F183 HydrophobicContact CG-CE2 4.21Å; P122-F183 HydrophobicContact CG-CG 4.28Å; P122-F183 HydrophobicContact CG-CZ 3.74Å; F183-T206 HydrophobicContact CD2-CG2 3.88Å; F183-T206 HydrophobicContact CE2-CG2 3.51Å; F183-T206 HydrophobicContact CZ-CG2 3.85Å; F183-E208 HydrophobicContact CE1-CG 3.95Å; F183-E208 HydrophobicContact CZ-CG 3.9Å; F183-Y411 HydrophobicContact CE2-CD1 4.23Å; F183-Y411 HydrophobicContact CE2-CD2 4.37Å; F183-Y411 AromaticContact CE2-CG 3.95Å; F183-Y411 HydrophobicContact CE2-CG 3.95Å; F183-Y411 AromaticContact CZ-CD1 3.63Å; F183-Y411 HydrophobicContact CZ-CD1 3.63Å; F183-Y411 HydrophobicContact CZ-CD2 4.02Å; F183-Y411 AromaticContact CZ-CE1 3.92Å; F183-Y411 HydrophobicContact CZ-CE1 3.92Å; F183-Y411 HydrophobicContact CZ-CE2 4.36Å; F183-Y411 AromaticContact CZ-CG 3.69Å; F183-Y411 HydrophobicContact CZ-CG 3.69Å |
| 184 | Y | 98.9 | Very high | 98.6 | Very high | 16 Ų | 16 | 41 Ų | 41 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 128.7 | -179.5 | 170.8 | -99.3 | 0 | 0 | 0 | 110.8 | I109 G186 N187 V190 V194 T206 L207 E208 L209 | I109-Y184 HydrophobicContact CB-CD2 3.84Å; I109-Y184 HydrophobicContact CD1-CD2 4.15Å; I109-Y184 HydrophobicContact CG2-CD2 3.69Å; I109-Y184 HydrophobicContact CG2-CE2 4Å; Y184-G186 WeakPolarHBondContact OH-CA 3.21Å; Y184-N187 PolarHBondContact OH-N 3.17Å; Y184-N187 VanDerWaalsContact OH-N 3.13Å; Y184-V190 HydrophobicContact CE1-CB 4.46Å; Y184-V190 HydrophobicContact CE1-CG1 4.38Å; Y184-V190 HydrophobicContact CE2-CG1 3.75Å; Y184-V190 VanDerWaalsContact OH-CB 3.28Å; Y184-V190 WeakPolarHBondContact OH-CB 3.28Å; Y184-V190 WeakPolarHBondContact OH-CG1 3.24Å; Y184-V194 HydrophobicContact CD1-CG2 4.47Å; Y184-V194 HydrophobicContact CD2-CG2 3.89Å; Y184-V194 HydrophobicContact CE2-CG2 4.4Å; Y184-V194 HydrophobicContact CG-CG2 3.95Å; Y184-T206 PolarHBondContact N-O 3.01Å; Y184-L207 HydrophobicContact CD1-CD2 4.18Å; Y184-L207 HydrophobicContact CG-CD2 4.49Å; Y184-L207 WeakPolarHBondContact O-CA 3.44Å; Y184-E208 PolarHBondContact O-N 2.87Å; Y184-L209 HydrophobicContact CD1-CD2 3.81Å; Y184-L209 HydrophobicContact CE1-CD2 3.63Å |
| 185 | T | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128.8 | 167.5 | -52.4 | 0 | 0 | 0 | 0 | 109.9 | I109 A111 L118 E208 | I109-T185 PolarHBondContact O-N 3.17Å; I109-T185 VanDerWaalsContact O-N 3.12Å; A111-T185 HydrophobicContact CB-CG2 4.04Å; L118-T185 HydrophobicContact CD1-CG2 4.02Å; L118-T185 HydrophobicContact CD2-CG2 4.25Å; L118-T185 HydrophobicContact CG-CG2 4.48Å; T185-E208 CarbonylContact C-O 3.5Å; T185-E208 VanDerWaalsContact CA-O 3.3Å; T185-E208 WeakPolarHBondContact CA-O 3.4Å; T185-E208 HydrophobicContact CG2-CB 3.99Å |
| 186 | G | 98.3 | Very high | 98.6 | Very high | 20 Ų | 20 | 51 Ų | 51 | 21% | 0.206 | 25% | 0.254 | C | S | . | . | S | Bend | trans | 164.7 | -128.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y184 E208 L209 G210 | Y184-G186 WeakPolarHBondContact OH-CA 3.21Å; G186-E208 PolarHBondContact N-O 2.81Å; G186-L209 WeakPolarHBondContact O-CA 3.47Å; G186-G210 PolarHBondContact O-N 3.07Å |
| 187 | N | 97.9 | Very high | 98.6 | Very high | 69 Ų | 69 | 45.2 Ų | 45.2 | 37% | 0.369 | 24% | 0.235 | S | C | . | . | trans | -110 | 156.3 | -174.2 | 69.7 | 75.6 | 0 | 0 | 0 | 112.4 | Y184 T189 V190 G191 | Y184-N187 PolarHBondContact OH-N 3.17Å; Y184-N187 VanDerWaalsContact OH-N 3.13Å; N187-T189 VanDerWaalsContact C-N 3.31Å; N187-T189 PolarHBondContact O-N 3.43Å; N187-T189 VanDerWaalsContact OD1-CB 3.31Å; N187-T189 WeakPolarHBondContact OD1-CB 3.44Å; N187-T189 PolarHBondContact OD1-N 3.35Å; N187-T189 VanDerWaalsContact OD1-N 3.16Å; N187-V190 PolarHBondContact O-N 2.95Å; N187-V190 PolarHBondContact OD1-N 3.5Å; N187-G191 PolarHBondContact O-N 3.22Å | ||
| 188 | S | 97.4 | Very high | 98.6 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.8 | -31.4 | -175.3 | 60.7 | 0 | 0 | 0 | 0 | 114.3 | G191 K192 | S188-G191 PolarHBondContact O-N 2.91Å; S188-K192 WeakPolarHBondContact O-CG 3.1Å; S188-K192 PolarHBondContact O-N 3.04Å; S188-K192 VanDerWaalsContact O-N 3.13Å |
| 189 | T | 97.5 | Very high | 98.6 | Very high | 99 Ų | 99 | 40 Ų | 40 | 61% | 0.607 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.5 | -48.8 | 175.7 | -58.5 | 0 | 0 | 0 | 0 | 111 | N187 | N187-T189 VanDerWaalsContact C-N 3.31Å; N187-T189 PolarHBondContact O-N 3.43Å; N187-T189 VanDerWaalsContact OD1-CB 3.31Å; N187-T189 WeakPolarHBondContact OD1-CB 3.44Å; N187-T189 PolarHBondContact OD1-N 3.35Å; N187-T189 VanDerWaalsContact OD1-N 3.16Å |
| 190 | V | 98.4 | Very high | 98.6 | Very high | 58 Ų | 58 | 47 Ų | 47 | 35% | 0.352 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -76.1 | -31.8 | 178.4 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | Y184 N187 K192 V193 V194 | Y184-V190 HydrophobicContact CE1-CB 4.46Å; Y184-V190 HydrophobicContact CE1-CG1 4.38Å; Y184-V190 HydrophobicContact CE2-CG1 3.75Å; Y184-V190 VanDerWaalsContact OH-CB 3.28Å; Y184-V190 WeakPolarHBondContact OH-CB 3.28Å; Y184-V190 WeakPolarHBondContact OH-CG1 3.24Å; N187-V190 PolarHBondContact O-N 2.95Å; N187-V190 PolarHBondContact OD1-N 3.5Å; V190-K192 PolarHBondContact O-N 3.2Å; V190-V193 WeakPolarHBondContact O-CB 3.17Å; V190-V193 PolarHBondContact O-N 3.47Å; V190-V194 HydrophobicContact CG1-CG2 4.33Å; V190-V194 WeakPolarHBondContact O-CG2 3.5Å; V190-V194 PolarHBondContact O-N 3.22Å |
| 191 | G | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.4 | -38.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N187 S188 V194 M195 | N187-G191 PolarHBondContact O-N 3.22Å; S188-G191 PolarHBondContact O-N 2.91Å; G191-V194 PolarHBondContact O-N 3.19Å; G191-M195 WeakPolarHBondContact O-CB 3.24Å; G191-M195 PolarHBondContact O-N 3.27Å |
| 192 | K | 98.8 | Very high | 98.6 | Very high | 119 Ų | 119 | 56.1 Ų | 56.1 | 52% | 0.517 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 173.2 | -69.2 | 167.3 | -172 | 172.1 | 0 | 112.3 | S188 V190 V194 M195 E196 | S188-K192 WeakPolarHBondContact O-CG 3.1Å; S188-K192 PolarHBondContact O-N 3.04Å; S188-K192 VanDerWaalsContact O-N 3.13Å; V190-K192 PolarHBondContact O-N 3.2Å; K192-V194 VanDerWaalsContact C-N 3.35Å; K192-M195 PolarHBondContact O-N 3.42Å; K192-E196 WeakPolarHBondContact O-CB 3.46Å; K192-E196 PolarHBondContact O-N 2.8Å |
| 193 | V | 98.8 | Very high | 98.6 | Very high | 70 Ų | 70 | 56.6 Ų | 56.6 | 42% | 0.424 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 177 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | V190 E196 A197 | V190-V193 WeakPolarHBondContact O-CB 3.17Å; V190-V193 PolarHBondContact O-N 3.47Å; V193-E196 PolarHBondContact O-N 3.15Å; V193-A197 PolarHBondContact O-N 2.77Å |
| 194 | V | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 175.5 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | I109 L175 I182 Y184 V190 G191 K192 E196 A197 A198 L207 | I109-V194 HydrophobicContact CD1-CG2 4.34Å; L175-V194 HydrophobicContact CD1-CG2 4.14Å; L175-V194 HydrophobicContact CD2-CG1 4.25Å; L175-V194 HydrophobicContact CD2-CG2 4.41Å; I182-V194 HydrophobicContact CB-CG1 4.47Å; I182-V194 HydrophobicContact CG2-CG1 3.57Å; Y184-V194 HydrophobicContact CD1-CG2 4.47Å; Y184-V194 HydrophobicContact CD2-CG2 3.89Å; Y184-V194 HydrophobicContact CE2-CG2 4.4Å; Y184-V194 HydrophobicContact CG-CG2 3.95Å; V190-V194 HydrophobicContact CG1-CG2 4.33Å; V190-V194 WeakPolarHBondContact O-CG2 3.5Å; V190-V194 PolarHBondContact O-N 3.22Å; G191-V194 PolarHBondContact O-N 3.19Å; K192-V194 VanDerWaalsContact C-N 3.35Å; V194-E196 PolarHBondContact O-N 3.02Å; V194-A197 PolarHBondContact O-N 2.63Å; V194-A198 WeakPolarHBondContact O-CB 3.45Å; V194-A198 PolarHBondContact O-N 3.37Å; V194-L207 HydrophobicContact CB-CD2 4.47Å; V194-L207 HydrophobicContact CG1-CD2 4.12Å |
| 195 | M | 98.9 | Very high | 98.6 | Very high | 87 Ų | 87 | 59.8 Ų | 59.8 | 43% | 0.429 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.9 | -38 | 179.4 | -166.7 | 177.2 | -176.9 | 0 | 0 | 112.5 | G191 K192 A198 A199 V205 L207 M408 | G191-M195 WeakPolarHBondContact O-CB 3.24Å; G191-M195 PolarHBondContact O-N 3.27Å; K192-M195 PolarHBondContact O-N 3.42Å; M195-A198 WeakPolarHBondContact O-CB 3.24Å; M195-A198 PolarHBondContact O-N 3.29Å; M195-A199 PolarHBondContact O-N 3Å; M195-V205 HydrophobicContact CG-CG2 4.3Å; M195-L207 HydrophobicContact CB-CD1 4.32Å; M195-L207 HydrophobicContact SD-CD1 4.46Å; M195-M408 HydrophobicContact CE-CE 3.78Å; M195-M408 HydrophobicContact CE-SD 4.03Å; M195-M408 HydrophobicContact SD-CE 3.73Å; M195-M408 HydrophobicContact SD-SD 4.33Å |
| 196 | E | 98.9 | Very high | 98.6 | Very high | 135 Ų | 135 | 59.5 Ų | 59.5 | 63% | 0.631 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63 | -42.3 | 174.6 | -174.3 | -175.3 | 168.1 | 0 | 0 | 111.8 | K192 V193 V194 A199 | K192-E196 WeakPolarHBondContact O-CB 3.46Å; K192-E196 PolarHBondContact O-N 2.8Å; V193-E196 PolarHBondContact O-N 3.15Å; V194-E196 PolarHBondContact O-N 3.02Å; E196-A199 PolarHBondContact O-N 3.06Å |
| 197 | A | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 11% | 0.107 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L175 V193 V194 A199 K200 | L175-A197 HydrophobicContact CB-CB 3.84Å; L175-A197 HydrophobicContact CD1-CB 4.5Å; L175-A197 HydrophobicContact CD2-CB 4.34Å; L175-A197 HydrophobicContact CG-CB 4.46Å; V193-A197 PolarHBondContact O-N 2.77Å; V194-A197 PolarHBondContact O-N 2.63Å; A197-A199 VanDerWaalsContact C-N 3.28Å; A197-A199 PolarHBondContact O-N 3.17Å; A197-K200 WeakPolarHBondContact O-CB 3.32Å; A197-K200 PolarHBondContact O-N 3.03Å |
| 198 | A | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.1 | -36.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I182 V194 M195 K200 H201 L202 T203 V205 | I182-A198 HydrophobicContact CD1-CB 3.86Å; V194-A198 WeakPolarHBondContact O-CB 3.45Å; V194-A198 PolarHBondContact O-N 3.37Å; M195-A198 WeakPolarHBondContact O-CB 3.24Å; M195-A198 PolarHBondContact O-N 3.29Å; A198-K200 PolarHBondContact O-N 3.27Å; A198-H201 PolarHBondContact O-N 2.88Å; A198-H201 VanDerWaalsContact O-N 3.11Å; A198-L202 PolarHBondContact O-N 2.74Å; A198-L202 VanDerWaalsContact O-N 3.15Å; A198-T203 PolarHBondContact O-N 2.84Å; A198-V205 HydrophobicContact CB-CG1 3.44Å; A198-V205 VanDerWaalsContact CB-CG1 3.44Å |
| 199 | A | 98.8 | Very high | 98.7 | Very high | 64 Ų | 64 | 54.3 Ų | 54.3 | 53% | 0.529 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.8 | -29.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M195 E196 A197 H201 L202 | M195-A199 PolarHBondContact O-N 3Å; E196-A199 PolarHBondContact O-N 3.06Å; A197-A199 VanDerWaalsContact C-N 3.28Å; A197-A199 PolarHBondContact O-N 3.17Å; A199-H201 PolarHBondContact O-N 2.97Å; A199-L202 PolarHBondContact O-N 2.86Å |
| 200 | K | 98.7 | Very high | 98.7 | Very high | 151 Ų | 151 | 50 Ų | 50 | 66% | 0.657 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.3 | 178.7 | -61.9 | -179.4 | -179.7 | 176.7 | 0 | 113.4 | A197 A198 | A197-K200 WeakPolarHBondContact O-CB 3.32Å; A197-K200 PolarHBondContact O-N 3.03Å; A198-K200 PolarHBondContact O-N 3.27Å |
| 201 | H | 98.8 | Very high | 98.6 | Very high | 69 Ų | 69 | 48.2 Ų | 48.2 | 32% | 0.319 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 5.6 | -178.6 | -63.3 | -63.9 | 0 | 0 | 0 | 112.9 | R176 R178 A198 A199 T203 | R176-H201 PolarHBondContact O-NE2 3.01Å; R178-H201 HydrophobicContact CG-CB 4.27Å; A198-H201 PolarHBondContact O-N 2.88Å; A198-H201 VanDerWaalsContact O-N 3.11Å; A199-H201 PolarHBondContact O-N 2.97Å; H201-T203 WeakPolarHBondContact CB-OG1 3.44Å; H201-T203 PolarHBondContact O-N 3.39Å |
| 202 | L | 98.8 | Very high | 98.6 | Very high | 158 Ų | 158 | 49.4 Ų | 49.4 | 83% | 0.827 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 35.4 | -169.8 | -57.2 | 176.1 | 0 | 0 | 0 | 112.5 | A198 A199 | A198-L202 PolarHBondContact O-N 2.74Å; A198-L202 VanDerWaalsContact O-N 3.15Å; A199-L202 PolarHBondContact O-N 2.86Å |
| 203 | T | 98.9 | Very high | 98.6 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 8% | 0.08 | 24% | 0.24 | C | C | . | . | trans | -77.4 | 126 | -178.3 | -59.4 | 0 | 0 | 0 | 0 | 109.8 | F179 I182 A198 H201 | F179-T203 HydrophobicContact CB-CG2 4.25Å; F179-T203 WeakPolarHBondContact O-CG2 3.3Å; F179-T203 PolarHBondContact O-OG1 3.13Å; I182-T203 HydrophobicContact CD1-CG2 4Å; I182-T203 HydrophobicContact CG1-CG2 3.86Å; A198-T203 PolarHBondContact O-N 2.84Å; H201-T203 WeakPolarHBondContact CB-OG1 3.44Å; H201-T203 PolarHBondContact O-N 3.39Å | ||
| 204 | P | 98.9 | Very high | 98.6 | Very high | 64 Ų | 64 | 40.4 Ų | 40.4 | 42% | 0.416 | 22% | 0.221 | S | C | . | . | trans | -64.4 | 149.8 | 171.7 | 27.3 | -33.7 | 0 | 0 | 0 | 111 | D180 H181 I182 | D180-P204 WeakPolarHBondContact O-CD 3.39Å; D180-P204 VanDerWaalsContact O-CG 3.31Å; D180-P204 WeakPolarHBondContact O-CG 3.44Å; H181-P204 WeakPolarHBondContact CA-O 3.33Å; I182-P204 PolarHBondContact N-O 2.62Å | ||
| 205 | V | 98.9 | Very high | 98.6 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 11% | 0.109 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 147.1 | -178.9 | -59.2 | 0 | 0 | 0 | 0 | 112 | I182 M195 A198 L207 M408 | I182-V205 HydrophobicContact CB-CG1 4.29Å; I182-V205 CarbonylContact O-C 3.59Å; I182-V205 VanDerWaalsContact O-CA 3.24Å; I182-V205 WeakPolarHBondContact O-CA 3.48Å; M195-V205 HydrophobicContact CG-CG2 4.3Å; A198-V205 HydrophobicContact CB-CG1 3.44Å; A198-V205 VanDerWaalsContact CB-CG1 3.44Å; V205-L207 HydrophobicContact CB-CD2 4.12Å; V205-L207 HydrophobicContact CB-CG 4.22Å; V205-L207 HydrophobicContact CG2-CD1 4.13Å; V205-L207 HydrophobicContact CG2-CD2 4.27Å; V205-L207 HydrophobicContact CG2-CG 3.89Å; V205-M408 HydrophobicContact CG2-CG 4.38Å; V205-M408 HydrophobicContact CG2-SD 3.88Å |
| 206 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 121.8 | 157.9 | -57.9 | 0 | 0 | 0 | 0 | 107.2 | H181 I182 F183 Y184 E208 M408 Q419 | H181-T206 PolarHBondContact NE2-N 2.91Å; H181-T206 PolarHBondContact NE2-OG1 2.88Å; I182-T206 PolarHBondContact O-N 3.14Å; F183-T206 HydrophobicContact CD2-CG2 3.88Å; F183-T206 HydrophobicContact CE2-CG2 3.51Å; F183-T206 HydrophobicContact CZ-CG2 3.85Å; Y184-T206 PolarHBondContact N-O 3.01Å; T206-E208 HydrophobicContact CG2-CG 4.39Å; T206-M408 WeakPolarHBondContact CA-O 3.36Å; T206-Q419 WeakPolarHBondContact OG1-CG 3.3Å; T206-Q419 PolarHBondContact OG1-NE2 3.26Å |
| 207 | L | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 107.4 | -178.5 | -56.5 | -179.1 | 0 | 0 | 0 | 108.5 | Y184 V194 M195 V205 L209 G407 M408 | Y184-L207 HydrophobicContact CD1-CD2 4.18Å; Y184-L207 HydrophobicContact CG-CD2 4.49Å; Y184-L207 WeakPolarHBondContact O-CA 3.44Å; V194-L207 HydrophobicContact CB-CD2 4.47Å; V194-L207 HydrophobicContact CG1-CD2 4.12Å; M195-L207 HydrophobicContact CB-CD1 4.32Å; M195-L207 HydrophobicContact SD-CD1 4.46Å; V205-L207 HydrophobicContact CB-CD2 4.12Å; V205-L207 HydrophobicContact CB-CG 4.22Å; V205-L207 HydrophobicContact CG2-CD1 4.13Å; V205-L207 HydrophobicContact CG2-CD2 4.27Å; V205-L207 HydrophobicContact CG2-CG 3.89Å; L207-L209 HydrophobicContact CB-CD1 4.21Å; L207-L209 HydrophobicContact CB-CD2 4.2Å; L207-L209 HydrophobicContact CB-CG 4.06Å; L207-G407 CarbonylContact O-C 3.45Å; L207-G407 WeakPolarHBondContact O-CA 2.95Å; L207-M408 HydrophobicContact CB-CG 4.24Å; L207-M408 HydrophobicContact CD1-CE 4.41Å; L207-M408 HydrophobicContact CD1-CG 4.2Å; L207-M408 HydrophobicContact CD1-SD 4.48Å; L207-M408 HydrophobicContact CG-CG 4.18Å; L207-M408 PolarHBondContact N-O 2.91Å; L207-M408 PolarHBondContact O-N 3.14Å |
| 208 | E | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 99.6 | 173.3 | -64 | -61.2 | 155.9 | 0 | 0 | 108.3 | F183 Y184 T185 G186 T206 G401 Y411 | F183-E208 HydrophobicContact CE1-CG 3.95Å; F183-E208 HydrophobicContact CZ-CG 3.9Å; Y184-E208 PolarHBondContact O-N 2.87Å; T185-E208 CarbonylContact C-O 3.5Å; T185-E208 VanDerWaalsContact CA-O 3.3Å; T185-E208 WeakPolarHBondContact CA-O 3.4Å; T185-E208 HydrophobicContact CG2-CB 3.99Å; G186-E208 PolarHBondContact N-O 2.81Å; T206-E208 HydrophobicContact CG2-CG 4.39Å; E208-G401 WeakPolarHBondContact OE1-CA 3.2Å; E208-G401 WeakPolarHBondContact OE2-CA 3.38Å; E208-Y411 HydrophobicContact CG-CD1 4.12Å; E208-Y411 HydrophobicContact CG-CE1 3.79Å; E208-Y411 WeakPolarHBondContact OE1-CD1 3.48Å |
| 209 | L | 98.7 | Very high | 98.4 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | trans | -112.6 | 175.7 | -171.3 | -47.2 | 173.1 | 0 | 0 | 0 | 111.2 | Y184 G186 L207 Q405 S406 | Y184-L209 HydrophobicContact CD1-CD2 3.81Å; Y184-L209 HydrophobicContact CE1-CD2 3.63Å; G186-L209 WeakPolarHBondContact O-CA 3.47Å; L207-L209 HydrophobicContact CB-CD1 4.21Å; L207-L209 HydrophobicContact CB-CD2 4.2Å; L207-L209 HydrophobicContact CB-CG 4.06Å; L209-Q405 WeakPolarHBondContact CB-O 3.43Å; L209-Q405 VanDerWaalsContact CD1-O 3.31Å; L209-Q405 WeakPolarHBondContact CD1-O 3.49Å; L209-S406 CarbonylContact C-O 3.51Å; L209-S406 WeakPolarHBondContact CA-O 3.23Å; L209-S406 WeakPolarHBondContact CB-O 3.41Å; L209-S406 PolarHBondContact N-O 3.45Å | ||
| 210 | G | 96.3 | Very high | 97.9 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 8% | 0.082 | 19% | 0.187 | C | C | . | . | trans | -91.9 | -163.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G186 E332 S406 | G186-G210 PolarHBondContact O-N 3.07Å; G210-E332 WeakPolarHBondContact CA-OE1 3.46Å; G210-S406 VanDerWaalsContact O-CA 3.31Å; G210-S406 WeakPolarHBondContact O-CA 3.3Å; G210-S406 WeakPolarHBondContact O-CB 3.36Å | ||
| 211 | G | 97.1 | Very high | 97.6 | Very high | 20 Ų | 20 | 29.8 Ų | 29.8 | 21% | 0.206 | 16% | 0.162 | C | C | . | . | trans | 154.4 | 169.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | S213 E332 | G211-S213 PolarHBondContact O-N 2.88Å; G211-S213 VanDerWaalsContact O-N 3.13Å; G211-E332 VanDerWaalsContact N-CD 3.34Å; G211-E332 PolarHBondContact N-OE1 2.77Å; G211-E332 VanDerWaalsContact N-OE1 3.11Å | ||
| 212 | K | 98.8 | Very high | 97.6 | Very high | 26 Ų | 26 | 31 Ų | 31 | 11% | 0.113 | 17% | 0.171 | C | C | . | . | trans | -84 | 92.7 | 179.4 | -60.5 | -177.1 | 72.6 | 68.3 | 0 | 109.9 | P214 D246 Y247 L328 M329 E331 P359 | K212-P214 WeakPolarHBondContact O-CD 3.4Å; K212-D246 HydrophobicContact CB-CB 4.18Å; K212-D246 WeakPolarHBondContact CB-OD1 3.4Å; K212-D246 WeakPolarHBondContact CE-OD1 3.4Å; K212-D246 WeakPolarHBondContact CG-OD1 3.44Å; K212-D246 IonicContact NZ-OD1 3.2Å; K212-D246 PolarHBondContact NZ-OD1 2.97Å; K212-D246 IonicContact NZ-OD2 3.97Å; K212-Y247 HydrophobicContact CB-CD1 4.03Å; K212-Y247 HydrophobicContact CB-CE1 3.74Å; K212-L328 PolarHBondContact NZ-O 3Å; K212-M329 WeakPolarHBondContact CD-O 3.1Å; K212-M329 WeakPolarHBondContact CE-O 3.27Å; K212-E331 WeakPolarHBondContact CD-O 3.23Å; K212-E331 PolarHBondContact NZ-O 2.89Å; K212-P359 WeakPolarHBondContact O-CB 3.4Å | ||
| 213 | S | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -68.2 | 107.4 | 178.9 | -63.2 | 0 | 0 | 0 | 0 | 111.5 | G211 C242 A244 D246 A361 | G211-S213 PolarHBondContact O-N 2.88Å; G211-S213 VanDerWaalsContact O-N 3.13Å; S213-C242 PolarHBondContact OG-O 2.77Å; S213-A244 WeakPolarHBondContact CB-O 3.21Å; S213-D246 PolarHBondContact O-N 3.41Å; S213-A361 VanDerWaalsContact CA-O 3.28Å; S213-A361 WeakPolarHBondContact CA-O 3.11Å; S213-A361 VanDerWaalsContact CB-O 3.24Å; S213-A361 WeakPolarHBondContact CB-O 3.2Å; S213-A361 PolarHBondContact OG-N 3.05Å; S213-A361 PolarHBondContact OG-O 3.16Å | ||
| 214 | P | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 147.8 | -179.1 | 27.6 | -35.3 | 0 | 0 | 0 | 112.4 | K212 Y247 I353 P359 A361 L362 Y363 | K212-P214 WeakPolarHBondContact O-CD 3.4Å; P214-Y247 HydrophobicContact CB-CE1 4.06Å; P214-Y247 HydrophobicContact CB-CE2 4.02Å; P214-I353 HydrophobicContact CB-CD1 4.02Å; P214-I353 HydrophobicContact CB-CG1 3.91Å; P214-I353 HydrophobicContact CG-CD1 4.03Å; P214-I353 HydrophobicContact CG-CG1 3.98Å; P214-I353 HydrophobicContact CG-CG2 4.3Å; P214-P359 HydrophobicContact CG-CG 4.24Å; P214-A361 WeakPolarHBondContact CD-O 3.09Å; P214-L362 HydrophobicContact CB-CD1 4.36Å; P214-L362 HydrophobicContact CG-CB 4.47Å; P214-L362 HydrophobicContact CG-CD1 3.61Å; P214-Y363 PolarHBondContact O-N 3.02Å |
| 215 | C | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 103.6 | 169.6 | -171.9 | 0 | 0 | 0 | 0 | 110.8 | I230 P245 Y247 I248 L249 Y363 F365 | C215-I230 WeakPolarHBondContact SG-CD1 3.25Å; C215-P245 HydrophobicContact CB-CB 4Å; C215-Y247 WeakPolarHBondContact CB-O 3.15Å; C215-Y247 PolarHBondContact N-O 3.45Å; C215-I248 HydrophobicContact CB-CG1 4.37Å; C215-I248 CarbonylContact O-C 3.54Å; C215-I248 VanDerWaalsContact O-CA 3.27Å; C215-I248 WeakPolarHBondContact O-CA 3.43Å; C215-L249 PolarHBondContact O-N 3Å; C215-Y363 WeakPolarHBondContact CA-O 3.42Å; C215-F365 VanDerWaalsContact SG-CE2 3.57Å |
| 216 | Y | 98.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 129.3 | 175.5 | 179.1 | -106.3 | 0 | 0 | 0 | 110.7 | D218 L249 V343 V346 A349 Y363 V364 F365 V371 M375 | Y216-D218 HydrophobicContact CE1-CB 3.89Å; Y216-L249 WeakPolarHBondContact CA-O 3.18Å; Y216-L249 HydrophobicContact CD2-CB 4.01Å; Y216-L249 WeakPolarHBondContact CD2-O 3.48Å; Y216-V343 HydrophobicContact CE2-CG2 4.23Å; Y216-V346 HydrophobicContact CE1-CB 4.37Å; Y216-V346 HydrophobicContact CE1-CG2 4.23Å; Y216-V346 PolarHBondContact OH-N 2.99Å; Y216-A349 HydrophobicContact CD2-CB 3.47Å; Y216-A349 VanDerWaalsContact CD2-CB 3.47Å; Y216-A349 HydrophobicContact CE2-CB 3.63Å; Y216-A349 HydrophobicContact CG-CB 4.31Å; Y216-Y363 PolarHBondContact N-O 2.85Å; Y216-V364 HydrophobicContact CD1-CG1 4.28Å; Y216-F365 PolarHBondContact O-N 2.68Å; Y216-V371 HydrophobicContact CD1-CG1 4.41Å; Y216-V371 HydrophobicContact CE1-CG1 3.8Å; Y216-M375 HydrophobicContact CD1-CE 3.61Å; Y216-M375 HydrophobicContact CD2-CE 4.16Å; Y216-M375 HydrophobicContact CE1-CE 4.22Å; Y216-M375 HydrophobicContact CG-CE 3.56Å |
| 217 | I | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 114.6 | 173.1 | -51.5 | 176.6 | 0 | 0 | 0 | 108.1 | L223 I230 I248 L249 C250 I254 V258 F365 | I217-L223 HydrophobicContact CG2-CD2 3.58Å; I217-I230 HydrophobicContact CD1-CD1 3.5Å; I217-I230 VanDerWaalsContact CD1-CD1 3.5Å; I217-I230 HydrophobicContact CG1-CD1 3.88Å; I217-I248 HydrophobicContact CD1-CD1 4.1Å; I217-I248 HydrophobicContact CD1-CG1 4.4Å; I217-I248 HydrophobicContact CD1-CG2 3.72Å; I217-I248 HydrophobicContact CG1-CG2 4.06Å; I217-L249 PolarHBondContact N-O 3.49Å; I217-C250 HydrophobicContact CB-CB 4.27Å; I217-I254 HydrophobicContact CB-CD1 4.43Å; I217-I254 HydrophobicContact CG2-CD1 4.02Å; I217-V258 HydrophobicContact CD1-CG1 3.98Å; I217-V258 HydrophobicContact CD1-CG2 3.99Å; I217-F365 HydrophobicContact CG1-CB 4.49Å; I217-F365 HydrophobicContact CG2-CB 4.42Å |
| 218 | D | 97.9 | Very high | 97.4 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 4% | 0.043 | 18% | 0.176 | C | C | . | . | trans | -75.6 | 152.1 | 172.2 | -170.1 | 8.6 | 0 | 0 | 0 | 110.6 | Y216 D220 C221 F365 S366 | Y216-D218 HydrophobicContact CE1-CB 3.89Å; D218-D220 PolarHBondContact O-N 2.73Å; D218-C221 PolarHBondContact O-SG 2.91Å; D218-F365 VanDerWaalsContact CB-O 3.24Å; D218-F365 WeakPolarHBondContact CB-O 3.45Å; D218-F365 PolarHBondContact N-O 2.66Å; D218-S366 WeakPolarHBondContact OD2-CB 3.18Å; D218-S366 PolarHBondContact OD2-OG 3.12Å | ||
| 219 | K | 93.9 | Very high | 97.4 | Very high | 98 Ų | 98 | 38 Ų | 38 | 43% | 0.426 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -67.7 | -26.4 | 176.2 | 58 | 161.3 | 168.7 | -90.9 | 0 | 112.8 | C221 E251 I254 | K219-C221 VanDerWaalsContact C-N 3.3Å; K219-C221 PolarHBondContact O-N 2.88Å; K219-E251 VanDerWaalsContact NZ-CD 3.29Å; K219-E251 IonicContact NZ-OE1 3.98Å; K219-E251 PolarHBondContact NZ-OE1 3.25Å; K219-E251 IonicContact NZ-OE2 2.68Å; K219-E251 PolarHBondContact NZ-OE2 3.31Å; K219-I254 HydrophobicContact CB-CG2 4.13Å |
| 220 | D | 88.7 | Confident | 97.4 | Very high | 99 Ų | 99 | 37.6 Ų | 37.6 | 53% | 0.529 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -93.1 | 52 | -178.8 | -65.9 | -19.8 | 0 | 0 | 0 | 111.5 | D218 S367 | D218-D220 PolarHBondContact O-N 2.73Å; D220-S367 VanDerWaalsContact O-CB 3.24Å; D220-S367 WeakPolarHBondContact O-CB 3.2Å; D220-S367 PolarHBondContact O-N 2.67Å; D220-S367 VanDerWaalsContact O-N 3.13Å; D220-S367 PolarHBondContact O-OG 2.67Å |
| 221 | C | 93.8 | Very high | 97.5 | Very high | 22 Ų | 22 | 37.2 Ų | 37.2 | 15% | 0.149 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -136.7 | 162.7 | 172.5 | 81.7 | 0 | 0 | 0 | 0 | 113 | D218 K219 L223 | D218-C221 PolarHBondContact O-SG 2.91Å; K219-C221 VanDerWaalsContact C-N 3.3Å; K219-C221 PolarHBondContact O-N 2.88Å; C221-L223 PolarHBondContact O-N 3.29Å |
| 222 | D | 97.3 | Very high | 97.6 | Very high | 95 Ų | 95 | 40.5 Ų | 40.5 | 51% | 0.508 | 19% | 0.192 | S | C | . | . | trans | -70.3 | 96.8 | 169.3 | -173.9 | -27.5 | 0 | 0 | 0 | 109.7 | I224 V225 A226 | D222-I224 VanDerWaalsContact C-N 3.25Å; D222-I224 PolarHBondContact O-N 2.95Å; D222-I224 WeakPolarHBondContact OD1-CB 3.4Å; D222-I224 PolarHBondContact OD1-N 3.16Å; D222-V225 HydrophobicContact CB-CB 4.26Å; D222-V225 HydrophobicContact CB-CG2 4.36Å; D222-V225 PolarHBondContact O-N 3.38Å; D222-V225 PolarHBondContact OD1-N 3.18Å; D222-V225 VanDerWaalsContact OD1-N 3.1Å; D222-V225 WeakPolarHBondContact OD2-CG2 3.09Å; D222-A226 WeakPolarHBondContact O-CB 3.27Å; D222-A226 PolarHBondContact O-N 2.9Å | ||
| 223 | L | 97.4 | Very high | 97.6 | Very high | 29 Ų | 29 | 39.2 Ų | 39.2 | 15% | 0.152 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.8 | -29.2 | -178 | -67.7 | 177.7 | 0 | 0 | 0 | 112.8 | I217 C221 C227 I254 K257 V258 | I217-L223 HydrophobicContact CG2-CD2 3.58Å; C221-L223 PolarHBondContact O-N 3.29Å; L223-C227 VanDerWaalsContact O-CB 3.22Å; L223-C227 WeakPolarHBondContact O-CB 3.34Å; L223-C227 PolarHBondContact O-N 3.47Å; L223-C227 PolarHBondContact O-SG 2.95Å; L223-I254 HydrophobicContact CD1-CB 4.22Å; L223-I254 HydrophobicContact CD1-CG2 4.24Å; L223-I254 HydrophobicContact CD2-CD1 4.18Å; L223-K257 HydrophobicContact CD1-CB 3.92Å; L223-K257 HydrophobicContact CD1-CD 4.04Å; L223-V258 HydrophobicContact CD2-CG2 4.18Å |
| 224 | I | 97.9 | Very high | 97.6 | Very high | 135 Ų | 135 | 39.3 Ų | 39.3 | 69% | 0.692 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -66.5 | -50.6 | 179.2 | -62.2 | 174.3 | 0 | 0 | 0 | 108.7 | D222 R228 | D222-I224 VanDerWaalsContact C-N 3.25Å; D222-I224 PolarHBondContact O-N 2.95Å; D222-I224 WeakPolarHBondContact OD1-CB 3.4Å; D222-I224 PolarHBondContact OD1-N 3.16Å; I224-R228 VanDerWaalsContact O-CB 3.29Å; I224-R228 WeakPolarHBondContact O-CB 3.45Å; I224-R228 PolarHBondContact O-N 3.17Å |
| 225 | V | 98.6 | Very high | 97.6 | Very high | 55 Ų | 55 | 39.3 Ų | 39.3 | 33% | 0.333 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 178.1 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | D222 R228 R229 | D222-V225 HydrophobicContact CB-CB 4.26Å; D222-V225 HydrophobicContact CB-CG2 4.36Å; D222-V225 PolarHBondContact O-N 3.38Å; D222-V225 PolarHBondContact OD1-N 3.18Å; D222-V225 VanDerWaalsContact OD1-N 3.1Å; D222-V225 WeakPolarHBondContact OD2-CG2 3.09Å; V225-R228 PolarHBondContact O-N 3.27Å; V225-R229 WeakPolarHBondContact O-CG 3.43Å; V225-R229 PolarHBondContact O-N 2.83Å; V225-R229 VanDerWaalsContact O-N 3.08Å |
| 226 | A | 98.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61 | -53.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | D222 R228 R229 I230 F365 | D222-A226 WeakPolarHBondContact O-CB 3.27Å; D222-A226 PolarHBondContact O-N 2.9Å; A226-R228 VanDerWaalsContact C-N 3.25Å; A226-R228 PolarHBondContact O-N 2.84Å; A226-R229 PolarHBondContact O-N 3.4Å; A226-I230 WeakPolarHBondContact O-CB 3.3Å; A226-I230 WeakPolarHBondContact O-CD1 3.48Å; A226-I230 VanDerWaalsContact O-CG1 3.22Å; A226-I230 WeakPolarHBondContact O-CG1 3.42Å; A226-I230 PolarHBondContact O-N 2.86Å; A226-F365 HydrophobicContact CB-CB 4.19Å; A226-F365 HydrophobicContact CB-CD1 3.43Å; A226-F365 VanDerWaalsContact CB-CD1 3.43Å; A226-F365 HydrophobicContact CB-CE1 4Å; A226-F365 HydrophobicContact CB-CG 3.92Å |
| 227 | C | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.1 | -40.3 | 178.2 | -73.4 | 0 | 0 | 0 | 0 | 111.7 | L223 I230 T231 V258 I262 | L223-C227 VanDerWaalsContact O-CB 3.22Å; L223-C227 WeakPolarHBondContact O-CB 3.34Å; L223-C227 PolarHBondContact O-N 3.47Å; L223-C227 PolarHBondContact O-SG 2.95Å; C227-I230 PolarHBondContact O-N 3.14Å; C227-T231 VanDerWaalsContact O-CB 3.26Å; C227-T231 WeakPolarHBondContact O-CB 3.4Å; C227-T231 PolarHBondContact O-N 3.45Å; C227-T231 PolarHBondContact O-OG1 3.19Å; C227-V258 VanDerWaalsContact SG-CA 3.6Å; C227-V258 PolarHBondContact SG-O 3.44Å; C227-V258 VanDerWaalsContact SG-O 3.37Å; C227-I262 HydrophobicContact CB-CG1 4.24Å |
| 228 | R | 98.8 | Very high | 97.2 | Very high | 95 Ų | 95 | 41.3 Ų | 41.3 | 36% | 0.358 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.9 | -48.7 | 179.6 | -168.2 | -176.7 | 170 | 74.8 | -2.4 | 112.5 | I224 V225 A226 T231 W232 T265 E268 F269 | I224-R228 VanDerWaalsContact O-CB 3.29Å; I224-R228 WeakPolarHBondContact O-CB 3.45Å; I224-R228 PolarHBondContact O-N 3.17Å; V225-R228 PolarHBondContact O-N 3.27Å; A226-R228 VanDerWaalsContact C-N 3.25Å; A226-R228 PolarHBondContact O-N 2.84Å; R228-T231 PolarHBondContact O-N 2.99Å; R228-W232 PolarHBondContact O-N 3.37Å; R228-W232 VanDerWaalsContact O-N 3.08Å; R228-T265 HydrophobicContact CB-CG2 4.35Å; R228-T265 HydrophobicContact CG-CG2 3.9Å; R228-E268 IonicContact CZ-OE1 2.97Å; R228-E268 IonicContact CZ-OE2 3.39Å; R228-E268 IonicContact NH1-OE1 2.71Å; R228-E268 PolarHBondContact NH1-OE1 3.32Å; R228-E268 IonicContact NH1-OE2 2.71Å; R228-E268 PolarHBondContact NH1-OE2 3.08Å; R228-E268 IonicContact NH2-OE1 3.25Å; R228-E268 PolarHBondContact NH2-OE1 3.26Å; R228-F269 HydrophobicContact CG-CZ 4.07Å |
| 229 | R | 98.9 | Very high | 97.2 | Very high | 93 Ų | 93 | 41 Ų | 41 | 35% | 0.351 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 177.1 | -73.9 | 174.9 | 164.2 | 153.9 | 7.8 | 112.2 | V225 A226 T231 W232 G233 F365 N387 D388 V389 | V225-R229 WeakPolarHBondContact O-CG 3.43Å; V225-R229 PolarHBondContact O-N 2.83Å; V225-R229 VanDerWaalsContact O-N 3.08Å; A226-R229 PolarHBondContact O-N 3.4Å; R229-T231 PolarHBondContact O-N 2.71Å; R229-W232 PolarHBondContact O-N 2.83Å; R229-G233 PolarHBondContact O-N 3.44Å; R229-F365 HydrophobicContact CB-CE1 4.16Å; R229-F365 HydrophobicContact CB-CZ 4.16Å; R229-N387 WeakPolarHBondContact CD-O 3.37Å; R229-N387 PolarHBondContact NH1-O 2.76Å; R229-D388 WeakPolarHBondContact CD-OD1 3.25Å; R229-D388 IonicContact CZ-OD2 3.6Å; R229-D388 IonicContact NE-OD1 3.97Å; R229-D388 IonicContact NE-OD2 2.64Å; R229-D388 PolarHBondContact NE-OD2 2.64Å; R229-V389 VanDerWaalsContact O-CG2 3.23Å; R229-V389 WeakPolarHBondContact O-CG2 3.39Å |
| 230 | I | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.9 | -42.1 | 178.4 | -66 | 165.3 | 0 | 0 | 0 | 110.9 | C215 I217 A226 C227 G233 K234 P245 I248 L338 F365 V389 | C215-I230 WeakPolarHBondContact SG-CD1 3.25Å; I217-I230 HydrophobicContact CD1-CD1 3.5Å; I217-I230 VanDerWaalsContact CD1-CD1 3.5Å; I217-I230 HydrophobicContact CG1-CD1 3.88Å; A226-I230 WeakPolarHBondContact O-CB 3.3Å; A226-I230 WeakPolarHBondContact O-CD1 3.48Å; A226-I230 VanDerWaalsContact O-CG1 3.22Å; A226-I230 WeakPolarHBondContact O-CG1 3.42Å; A226-I230 PolarHBondContact O-N 2.86Å; C227-I230 PolarHBondContact O-N 3.14Å; I230-G233 PolarHBondContact O-N 2.95Å; I230-K234 VanDerWaalsContact O-CB 3.23Å; I230-K234 WeakPolarHBondContact O-CB 3.38Å; I230-K234 PolarHBondContact O-N 2.91Å; I230-P245 HydrophobicContact CG2-CB 4.37Å; I230-P245 HydrophobicContact CG2-CG 4.08Å; I230-I248 HydrophobicContact CG2-CD1 4.1Å; I230-I248 HydrophobicContact CG2-CG1 4.47Å; I230-L338 HydrophobicContact CG2-CD2 4.22Å; I230-F365 HydrophobicContact CD1-CD2 3.9Å; I230-F365 HydrophobicContact CD1-CE2 3.72Å; I230-F365 HydrophobicContact CD1-CG 4.49Å; I230-F365 HydrophobicContact CD1-CZ 4.15Å; I230-F365 HydrophobicContact CG1-CD2 4.23Å; I230-F365 HydrophobicContact CG1-CE1 4.49Å; I230-F365 HydrophobicContact CG1-CE2 3.51Å; I230-F365 HydrophobicContact CG1-CZ 3.67Å; I230-V389 HydrophobicContact CG1-CG1 4.34Å |
| 231 | T | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 178.4 | -58.4 | 0 | 0 | 0 | 0 | 110.4 | C227 R228 R229 K234 F235 T265 L266 F269 | C227-T231 VanDerWaalsContact O-CB 3.26Å; C227-T231 WeakPolarHBondContact O-CB 3.4Å; C227-T231 PolarHBondContact O-N 3.45Å; C227-T231 PolarHBondContact O-OG1 3.19Å; R228-T231 PolarHBondContact O-N 2.99Å; R229-T231 PolarHBondContact O-N 2.71Å; T231-K234 PolarHBondContact O-N 3.32Å; T231-F235 HydrophobicContact CG2-CD2 3.67Å; T231-F235 HydrophobicContact CG2-CE2 4.04Å; T231-F235 WeakPolarHBondContact O-CD2 3.49Å; T231-F235 PolarHBondContact O-N 3.2Å; T231-T265 HydrophobicContact CG2-CG2 3.69Å; T231-L266 HydrophobicContact CG2-CD2 3.64Å; T231-L266 HydrophobicContact CG2-CG 3.77Å; T231-F269 HydrophobicContact CG2-CD2 4.17Å; T231-F269 HydrophobicContact CG2-CE2 4.24Å |
| 232 | W | 98.6 | Very high | 98.1 | Very high | 89 Ų | 89 | 32 Ų | 32 | 34% | 0.337 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -55.3 | -56.4 | 174.1 | 167.6 | 75.6 | 0 | 0 | 0 | 110.9 | R228 R229 K234 F235 F236 F269 V389 I390 M391 | R228-W232 PolarHBondContact O-N 3.37Å; R228-W232 VanDerWaalsContact O-N 3.08Å; R229-W232 PolarHBondContact O-N 2.83Å; W232-K234 VanDerWaalsContact C-N 3.31Å; W232-K234 PolarHBondContact O-N 2.99Å; W232-F235 PolarHBondContact O-N 3.48Å; W232-F236 WeakPolarHBondContact O-CB 3.3Å; W232-F236 PolarHBondContact O-N 2.96Å; W232-F269 HydrophobicContact CB-CE2 3.83Å; W232-F269 HydrophobicContact CB-CZ 4.32Å; W232-V389 HydrophobicContact CE3-CG2 3.84Å; W232-V389 HydrophobicContact CZ3-CG2 3.93Å; W232-I390 HydrophobicContact CH2-CB 3.96Å; W232-I390 HydrophobicContact CH2-CD1 4.17Å; W232-I390 HydrophobicContact CH2-CG2 4.11Å; W232-I390 HydrophobicContact CZ3-CB 3.94Å; W232-I390 HydrophobicContact CZ3-CD1 4.11Å; W232-I390 HydrophobicContact CZ3-CG1 4.34Å; W232-M391 HydrophobicContact CH2-SD 4.16Å; W232-M391 HydrophobicContact CZ3-SD 4.49Å |
| 233 | G | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.4 | -30.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R229 I230 | R229-G233 PolarHBondContact O-N 3.44Å; I230-G233 PolarHBondContact O-N 2.95Å |
| 234 | K | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -71.9 | -46.4 | 178.8 | 176.3 | 57.4 | 179.6 | -175.6 | 0 | 112.3 | I230 T231 W232 G239 P245 G335 L337 L338 | I230-K234 VanDerWaalsContact O-CB 3.23Å; I230-K234 WeakPolarHBondContact O-CB 3.38Å; I230-K234 PolarHBondContact O-N 2.91Å; T231-K234 PolarHBondContact O-N 3.32Å; W232-K234 VanDerWaalsContact C-N 3.31Å; W232-K234 PolarHBondContact O-N 2.99Å; K234-G239 WeakPolarHBondContact O-CA 3.45Å; K234-G239 PolarHBondContact O-N 2.95Å; K234-P245 HydrophobicContact CB-CG 4Å; K234-P245 VanDerWaalsContact CD-O 3.26Å; K234-P245 WeakPolarHBondContact CD-O 3.19Å; K234-G335 WeakPolarHBondContact CE-O 3.48Å; K234-G335 PolarHBondContact NZ-O 3.05Å; K234-G335 VanDerWaalsContact NZ-O 3.15Å; K234-L337 WeakPolarHBondContact CE-O 3.3Å; K234-L337 PolarHBondContact NZ-O 2.96Å; K234-L338 HydrophobicContact CB-CD2 4.43Å; K234-L338 HydrophobicContact CD-CB 4.35Å; K234-L338 HydrophobicContact CD-CD1 4.07Å; K234-L338 HydrophobicContact CG-CB 4.11Å; K234-L338 HydrophobicContact CG-CD1 4.24Å; K234-L338 HydrophobicContact CG-CD2 4.15Å; K234-L338 HydrophobicContact CG-CG 4.41Å |
| 235 | F | 98.3 | Very high | 98.3 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.009 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -99.3 | -8.3 | -169.5 | -59.7 | -69.3 | 0 | 0 | 0 | 112.7 | T231 W232 N237 V238 I262 L266 Y270 Y280 P316 P336 L338 | T231-F235 HydrophobicContact CG2-CD2 3.67Å; T231-F235 HydrophobicContact CG2-CE2 4.04Å; T231-F235 WeakPolarHBondContact O-CD2 3.49Å; T231-F235 PolarHBondContact O-N 3.2Å; W232-F235 PolarHBondContact O-N 3.48Å; F235-N237 PolarHBondContact O-N 3.22Å; F235-V238 WeakPolarHBondContact O-CA 3.48Å; F235-V238 PolarHBondContact O-N 3.03Å; F235-I262 HydrophobicContact CE2-CG2 4.25Å; F235-L266 HydrophobicContact CD2-CD2 3.6Å; F235-L266 HydrophobicContact CE2-CD1 4.18Å; F235-L266 HydrophobicContact CE2-CD2 3.84Å; F235-L266 HydrophobicContact CE2-CG 4.34Å; F235-L266 HydrophobicContact CG-CD2 4.08Å; F235-L266 HydrophobicContact CZ-CD1 4.44Å; F235-Y270 HydrophobicContact CB-CE2 3.97Å; F235-Y280 HydrophobicContact CB-CE2 4.42Å; F235-P316 HydrophobicContact CD1-CB 3.67Å; F235-P316 HydrophobicContact CD1-CG 4.3Å; F235-P316 VanDerWaalsContact CE1-CA 3.45Å; F235-P316 HydrophobicContact CE1-CB 3.53Å; F235-P316 HydrophobicContact CE2-CB 4.39Å; F235-P316 HydrophobicContact CG-CB 4.17Å; F235-P316 HydrophobicContact CZ-CB 3.91Å; F235-P336 HydrophobicContact CD1-CB 3.83Å; F235-P336 HydrophobicContact CE1-CB 4.06Å; F235-P336 WeakPolarHBondContact CE1-O 3.36Å; F235-L338 HydrophobicContact CZ-CB 4.37Å |
| 236 | F | 94.6 | Very high | 98.3 | Very high | 31 Ų | 31 | 18 Ų | 18 | 14% | 0.136 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | -54.4 | 130.6 | 163.6 | -176.7 | -115.9 | 0 | 0 | 0 | 110.7 | S60 Y114 W232 V238 G239 | S60-F236 VanDerWaalsContact CB-CZ 3.47Å; Y114-F236 AromaticContact CE1-CE1 3.89Å; Y114-F236 HydrophobicContact CE1-CE1 3.89Å; Y114-F236 HydrophobicContact CE1-CZ 4.45Å; Y114-F236 AromaticContact CZ-CE1 3.93Å; Y114-F236 WeakPolarHBondContact OH-CD1 3.38Å; Y114-F236 WeakPolarHBondContact OH-CE1 3.42Å; W232-F236 WeakPolarHBondContact O-CB 3.3Å; W232-F236 PolarHBondContact O-N 2.96Å; F236-V238 PolarHBondContact O-N 3.13Å; F236-V238 VanDerWaalsContact O-N 3.16Å; F236-G239 PolarHBondContact O-N 3.23Å |
| 237 | N | 97.1 | Very high | 98.3 | Very high | 12 Ų | 12 | 18.1 Ų | 18.1 | 6% | 0.064 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | 50.5 | 35.3 | -172.8 | -161.9 | 41.8 | 0 | 0 | 0 | 113.4 | R52 N113 Y114 F235 G239 Q240 | R52-N237 PolarHBondContact NH2-ND2 3.43Å; R52-N237 PolarHBondContact NH2-OD1 3.13Å; N113-N237 PolarHBondContact O-ND2 3.44Å; Y114-N237 HydrophobicContact CE1-CB 4.44Å; Y114-N237 WeakPolarHBondContact OH-CB 3.49Å; F235-N237 PolarHBondContact O-N 3.22Å; N237-G239 PolarHBondContact O-N 3.14Å; N237-G239 VanDerWaalsContact O-N 3.09Å; N237-Q240 PolarHBondContact ND2-O 2.99Å; N237-Q240 VanDerWaalsContact ND2-O 3.17Å; N237-Q240 WeakPolarHBondContact O-CB 3.48Å; N237-Q240 PolarHBondContact O-N 3Å |
| 238 | V | 97.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | 54.5 | 28.8 | -178.4 | -106.1 | 0 | 0 | 0 | 0 | 113 | F235 F236 Q240 Y280 R282 G335 P336 | F235-V238 WeakPolarHBondContact O-CA 3.48Å; F235-V238 PolarHBondContact O-N 3.03Å; F236-V238 PolarHBondContact O-N 3.13Å; F236-V238 VanDerWaalsContact O-N 3.16Å; V238-Q240 PolarHBondContact O-N 3.46Å; V238-Y280 HydrophobicContact CG1-CD1 4.18Å; V238-Y280 HydrophobicContact CG1-CD2 4.29Å; V238-Y280 HydrophobicContact CG1-CE1 3.54Å; V238-Y280 HydrophobicContact CG1-CE2 3.66Å; V238-Y280 WeakPolarHBondContact CG1-OH 3.46Å; V238-R282 WeakPolarHBondContact CG2-O 3.38Å; V238-G335 CarbonylContact O-C 3.48Å; V238-G335 WeakPolarHBondContact O-CA 3.22Å; V238-P336 HydrophobicContact CG1-CB 4.33Å; V238-P336 HydrophobicContact CG1-CG 4.26Å; V238-P336 WeakPolarHBondContact O-CD 3.47Å; V238-P336 VanDerWaalsContact O-N 3.08Å |
| 239 | G | 98.1 | Very high | 98.3 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.01 | 6% | 0.06 | C | C | . | . | G | 310 helix | trans | 71.7 | 11.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | K234 F236 N237 T241 F334 G335 | K234-G239 WeakPolarHBondContact O-CA 3.45Å; K234-G239 PolarHBondContact O-N 2.95Å; F236-G239 PolarHBondContact O-N 3.23Å; N237-G239 PolarHBondContact O-N 3.14Å; N237-G239 VanDerWaalsContact O-N 3.09Å; G239-T241 PolarHBondContact O-N 3.26Å; G239-F334 CarbonylContact O-C 3.57Å; G239-F334 WeakPolarHBondContact O-CA 3.29Å; G239-G335 PolarHBondContact O-N 2.92Å; G239-G335 VanDerWaalsContact O-N 3.15Å |
| 240 | Q | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.043 | C | C | . | . | trans | -81.3 | 60.2 | 174.9 | -59.6 | 176 | 119.4 | 0 | 0 | 110.3 | W112 N113 N237 V238 R282 I283 F334 | W112-Q240 HydrophobicContact CH2-CB 4.09Å; W112-Q240 HydrophobicContact CH2-CG 4.13Å; W112-Q240 HydrophobicContact CZ3-CB 4Å; W112-Q240 HydrophobicContact CZ3-CG 4.2Å; N113-Q240 HydrophobicContact CB-CB 4.43Å; N113-Q240 WeakPolarHBondContact CB-O 3.2Å; N113-Q240 PolarHBondContact ND2-O 3.22Å; N237-Q240 PolarHBondContact ND2-O 2.99Å; N237-Q240 VanDerWaalsContact ND2-O 3.17Å; N237-Q240 WeakPolarHBondContact O-CB 3.48Å; N237-Q240 PolarHBondContact O-N 3Å; V238-Q240 PolarHBondContact O-N 3.46Å; Q240-R282 PolarHBondContact NE2-O 3.45Å; Q240-I283 HydrophobicContact CG-CD1 4.36Å; Q240-F334 HydrophobicContact CB-CD1 3.82Å; Q240-F334 HydrophobicContact CB-CE1 3.72Å; Q240-F334 HydrophobicContact CG-CD1 4.2Å | ||
| 241 | T | 98.5 | Very high | 98.2 | Very high | 10 Ų | 10 | 10.4 Ų | 10.4 | 6% | 0.061 | 5% | 0.049 | C | C | . | . | trans | -143.3 | 124.2 | -171.9 | -53.5 | 0 | 0 | 0 | 0 | 109.6 | Y114 G239 I243 A244 | Y114-T241 HydrophobicContact CE2-CG2 3.89Å; Y114-T241 PolarHBondContact OH-OG1 2.82Å; G239-T241 PolarHBondContact O-N 3.26Å; T241-I243 HydrophobicContact CG2-CG1 3.78Å; T241-I243 PolarHBondContact O-N 3.44Å; T241-I243 VanDerWaalsContact O-N 3.1Å; T241-A244 WeakPolarHBondContact O-CB 3.48Å; T241-A244 PolarHBondContact O-N 2.63Å | ||
| 242 | C | 98.2 | Very high | 98.1 | Very high | 20 Ų | 20 | 14.1 Ų | 14.1 | 14% | 0.135 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -27 | -176.1 | -48.9 | 0 | 0 | 0 | 0 | 113 | S213 L360 | S213-C242 PolarHBondContact OG-O 2.77Å; C242-L360 HydrophobicContact CB-CD2 3.68Å |
| 243 | I | 98.6 | Very high | 98 | Very high | 9 Ų | 9 | 13.7 Ų | 13.7 | 5% | 0.046 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 12 | 176.8 | 59.8 | 175.5 | 0 | 0 | 0 | 113.2 | T241 L360 A361 Y363 I390 Y393 F400 | T241-I243 HydrophobicContact CG2-CG1 3.78Å; T241-I243 PolarHBondContact O-N 3.44Å; T241-I243 VanDerWaalsContact O-N 3.1Å; I243-L360 HydrophobicContact CG2-CB 4.42Å; I243-L360 HydrophobicContact CG2-CD2 3.49Å; I243-L360 VanDerWaalsContact CG2-CD2 3.49Å; I243-L360 HydrophobicContact CG2-CG 3.73Å; I243-A361 HydrophobicContact CB-CB 4.17Å; I243-A361 HydrophobicContact CG2-CB 4.02Å; I243-Y363 VanDerWaalsContact O-CE2 3.32Å; I243-Y363 WeakPolarHBondContact O-CE2 3.39Å; I243-Y363 VanDerWaalsContact O-CZ 3.31Å; I243-Y363 PolarHBondContact O-OH 3.21Å; I243-I390 HydrophobicContact CD1-CB 4.38Å; I243-I390 HydrophobicContact CD1-CG1 4.45Å; I243-I390 HydrophobicContact CD1-CG2 3.93Å; I243-I390 HydrophobicContact CG1-CG1 4.34Å; I243-Y393 HydrophobicContact CD1-CD2 4.22Å; I243-Y393 HydrophobicContact CD1-CG 4.17Å; I243-F400 HydrophobicContact CD1-CE2 4.41Å; I243-F400 HydrophobicContact CG2-CE2 3.87Å; I243-F400 HydrophobicContact CG2-CZ 4.09Å |
| 244 | A | 98.8 | Very high | 98 | Very high | 5 Ų | 5 | 14.1 Ų | 14.1 | 4% | 0.041 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -61.2 | 145.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | S213 T241 D246 | S213-A244 WeakPolarHBondContact CB-O 3.21Å; T241-A244 WeakPolarHBondContact O-CB 3.48Å; T241-A244 PolarHBondContact O-N 2.63Å; A244-D246 PolarHBondContact O-N 2.61Å |
| 245 | P | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -58.8 | 111.2 | 166.7 | 26.3 | -32.8 | 0 | 0 | 0 | 108.1 | C215 I230 K234 Y363 V389 | C215-P245 HydrophobicContact CB-CB 4Å; I230-P245 HydrophobicContact CG2-CB 4.37Å; I230-P245 HydrophobicContact CG2-CG 4.08Å; K234-P245 HydrophobicContact CB-CG 4Å; K234-P245 VanDerWaalsContact CD-O 3.26Å; K234-P245 WeakPolarHBondContact CD-O 3.19Å; P245-Y363 HydrophobicContact CB-CD2 4.02Å; P245-Y363 HydrophobicContact CB-CE2 4.29Å; P245-V389 HydrophobicContact CG-CG1 4.36Å | ||
| 246 | D | 98.8 | Very high | 97.9 | Very high | 7 Ų | 7 | 20.8 Ų | 20.8 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | trans | -79.8 | -40.6 | -172.8 | -175.8 | -89.6 | 0 | 0 | 0 | 110.3 | K212 S213 A244 I333 P339 | K212-D246 HydrophobicContact CB-CB 4.18Å; K212-D246 WeakPolarHBondContact CB-OD1 3.4Å; K212-D246 WeakPolarHBondContact CE-OD1 3.4Å; K212-D246 WeakPolarHBondContact CG-OD1 3.44Å; K212-D246 IonicContact NZ-OD1 3.2Å; K212-D246 PolarHBondContact NZ-OD1 2.97Å; K212-D246 IonicContact NZ-OD2 3.97Å; S213-D246 PolarHBondContact O-N 3.41Å; A244-D246 PolarHBondContact O-N 2.61Å; D246-I333 WeakPolarHBondContact O-CD1 3.41Å; D246-I333 WeakPolarHBondContact OD2-CB 3.4Å; D246-I333 WeakPolarHBondContact OD2-CG1 3.38Å; D246-I333 PolarHBondContact OD2-N 3.26Å; D246-P339 WeakPolarHBondContact O-CD 3.27Å | ||
| 247 | Y | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 156.9 | 177.3 | 65.6 | -84.2 | 0 | 0 | 0 | 112 | K212 P214 C215 L249 M329 P339 F352 | K212-Y247 HydrophobicContact CB-CD1 4.03Å; K212-Y247 HydrophobicContact CB-CE1 3.74Å; P214-Y247 HydrophobicContact CB-CE1 4.06Å; P214-Y247 HydrophobicContact CB-CE2 4.02Å; C215-Y247 WeakPolarHBondContact CB-O 3.15Å; C215-Y247 PolarHBondContact N-O 3.45Å; Y247-L249 HydrophobicContact CD2-CD2 4.21Å; Y247-L249 HydrophobicContact CD2-CG 4Å; Y247-L249 HydrophobicContact CE2-CD1 3.83Å; Y247-L249 HydrophobicContact CE2-CD2 3.9Å; Y247-L249 HydrophobicContact CE2-CG 3.64Å; Y247-M329 HydrophobicContact CD1-CE 4.08Å; Y247-M329 HydrophobicContact CD2-CE 3.77Å; Y247-M329 HydrophobicContact CE1-CE 4.43Å; Y247-M329 HydrophobicContact CE2-CE 4.11Å; Y247-M329 HydrophobicContact CG-CE 3.72Å; Y247-M329 HydrophobicContact CG-SD 4.35Å; Y247-P339 WeakPolarHBondContact CA-O 3.49Å; Y247-F352 HydrophobicContact CD2-CE1 4.39Å; Y247-F352 AromaticContact CE2-CD1 3.97Å; Y247-F352 HydrophobicContact CE2-CD1 3.97Å; Y247-F352 AromaticContact CE2-CE1 3.5Å; Y247-F352 HydrophobicContact CE2-CE1 3.5Å; Y247-F352 AromaticContact CZ-CE1 3.83Å |
| 248 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 140.1 | 174.1 | -67.5 | 170.5 | 0 | 0 | 0 | 110.4 | C215 I217 I230 C250 V258 I262 L338 P339 I340 V341 | C215-I248 HydrophobicContact CB-CG1 4.37Å; C215-I248 CarbonylContact O-C 3.54Å; C215-I248 VanDerWaalsContact O-CA 3.27Å; C215-I248 WeakPolarHBondContact O-CA 3.43Å; I217-I248 HydrophobicContact CD1-CD1 4.1Å; I217-I248 HydrophobicContact CD1-CG1 4.4Å; I217-I248 HydrophobicContact CD1-CG2 3.72Å; I217-I248 HydrophobicContact CG1-CG2 4.06Å; I230-I248 HydrophobicContact CG2-CD1 4.1Å; I230-I248 HydrophobicContact CG2-CG1 4.47Å; I248-C250 HydrophobicContact CG2-CB 4.16Å; I248-V258 HydrophobicContact CD1-CG1 3.91Å; I248-I262 HydrophobicContact CD1-CD1 4Å; I248-L338 HydrophobicContact CD1-CD1 4.4Å; I248-L338 HydrophobicContact CD1-CD2 3.91Å; I248-L338 HydrophobicContact CD1-CG 4.23Å; I248-L338 HydrophobicContact CG1-CD1 4.19Å; I248-P339 PolarHBondContact N-O 3.45Å; I248-I340 HydrophobicContact CB-CG1 4.22Å; I248-I340 HydrophobicContact CB-CG2 4.28Å; I248-I340 HydrophobicContact CD1-CD1 4.47Å; I248-I340 HydrophobicContact CD1-CG1 4.28Å; I248-I340 HydrophobicContact CG2-CG2 4.07Å; I248-V341 PolarHBondContact O-N 3Å |
| 249 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 124.8 | 163.5 | -65.2 | 169.7 | 0 | 0 | 0 | 109 | C215 Y216 I217 Y247 V341 V343 A349 F352 I353 | C215-L249 PolarHBondContact O-N 3Å; Y216-L249 WeakPolarHBondContact CA-O 3.18Å; Y216-L249 HydrophobicContact CD2-CB 4.01Å; Y216-L249 WeakPolarHBondContact CD2-O 3.48Å; I217-L249 PolarHBondContact N-O 3.49Å; Y247-L249 HydrophobicContact CD2-CD2 4.21Å; Y247-L249 HydrophobicContact CD2-CG 4Å; Y247-L249 HydrophobicContact CE2-CD1 3.83Å; Y247-L249 HydrophobicContact CE2-CD2 3.9Å; Y247-L249 HydrophobicContact CE2-CG 3.64Å; L249-V341 WeakPolarHBondContact CA-O 3.37Å; L249-V341 HydrophobicContact CD2-CB 3.93Å; L249-V341 HydrophobicContact CD2-CG1 4.08Å; L249-V343 HydrophobicContact CB-CG2 4.26Å; L249-V343 HydrophobicContact CD2-CG1 3.81Å; L249-A349 HydrophobicContact CD1-CB 4.17Å; L249-F352 HydrophobicContact CD1-CD1 3.98Å; L249-F352 HydrophobicContact CD2-CD1 3.8Å; L249-F352 HydrophobicContact CD2-CE1 4.04Å; L249-F352 HydrophobicContact CD2-CG 4.09Å; L249-F352 HydrophobicContact CG-CD1 4.47Å; L249-I353 HydrophobicContact CD1-CD1 4.05Å; L249-I353 HydrophobicContact CD1-CG1 3.85Å |
| 250 | C | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 164.8 | 178.1 | 72 | 0 | 0 | 0 | 0 | 112.2 | I217 I248 I254 V341 T342 V343 | I217-C250 HydrophobicContact CB-CB 4.27Å; I248-C250 HydrophobicContact CG2-CB 4.16Å; C250-I254 HydrophobicContact CB-CD1 3.8Å; C250-I254 HydrophobicContact CB-CG1 3.9Å; C250-V341 PolarHBondContact N-O 3.49Å; C250-T342 CarbonylContact O-C 3.39Å; C250-T342 VanDerWaalsContact O-CA 3.22Å; C250-T342 WeakPolarHBondContact O-CA 3.49Å; C250-V343 PolarHBondContact O-N 3.17Å |
| 251 | E | 97.4 | Very high | 98.2 | Very high | 27 Ų | 27 | 30.3 Ų | 30.3 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | trans | -66.9 | 146.6 | 170.7 | -70.8 | -177.2 | -140 | 0 | 0 | 111 | K219 S253 I254 Q255 V343 | K219-E251 VanDerWaalsContact NZ-CD 3.29Å; K219-E251 IonicContact NZ-OE1 3.98Å; K219-E251 PolarHBondContact NZ-OE1 3.25Å; K219-E251 IonicContact NZ-OE2 2.68Å; K219-E251 PolarHBondContact NZ-OE2 3.31Å; E251-S253 PolarHBondContact O-N 2.82Å; E251-S253 VanDerWaalsContact O-N 3.12Å; E251-I254 HydrophobicContact CB-CG1 4.46Å; E251-I254 VanDerWaalsContact O-CG1 3.29Å; E251-I254 WeakPolarHBondContact O-CG1 3.37Å; E251-I254 PolarHBondContact O-N 3.29Å; E251-I254 VanDerWaalsContact O-N 3.13Å; E251-Q255 PolarHBondContact O-N 3.38Å; E251-V343 WeakPolarHBondContact CA-O 3.4Å | ||
| 252 | P | 96.9 | Very high | 98.2 | Very high | 78 Ų | 78 | 29.9 Ų | 29.9 | 51% | 0.506 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -53.3 | -33.4 | 175.6 | -24.1 | 29.6 | 0 | 0 | 0 | 113.5 | I254 Q255 T342 V343 | P252-I254 PolarHBondContact O-N 2.74Å; P252-I254 VanDerWaalsContact O-N 3.17Å; P252-Q255 PolarHBondContact O-N 3.39Å; P252-T342 HydrophobicContact CB-CG2 4.34Å; P252-T342 HydrophobicContact CG-CG2 4.3Å; P252-V343 WeakPolarHBondContact CD-O 3.37Å |
| 253 | S | 97.4 | Very high | 98.2 | Very high | 81 Ų | 81 | 33.7 Ų | 33.7 | 57% | 0.566 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -62.1 | -21.4 | -178.2 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | E251 | E251-S253 PolarHBondContact O-N 2.82Å; E251-S253 VanDerWaalsContact O-N 3.12Å |
| 254 | I | 97.6 | Very high | 98.2 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 5% | 0.046 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -113.4 | -7.1 | -178.4 | 62.3 | 167 | 0 | 0 | 0 | 114 | I217 K219 L223 C250 E251 P252 N256 K257 V258 | I217-I254 HydrophobicContact CB-CD1 4.43Å; I217-I254 HydrophobicContact CG2-CD1 4.02Å; K219-I254 HydrophobicContact CB-CG2 4.13Å; L223-I254 HydrophobicContact CD1-CB 4.22Å; L223-I254 HydrophobicContact CD1-CG2 4.24Å; L223-I254 HydrophobicContact CD2-CD1 4.18Å; C250-I254 HydrophobicContact CB-CD1 3.8Å; C250-I254 HydrophobicContact CB-CG1 3.9Å; E251-I254 HydrophobicContact CB-CG1 4.46Å; E251-I254 VanDerWaalsContact O-CG1 3.29Å; E251-I254 WeakPolarHBondContact O-CG1 3.37Å; E251-I254 PolarHBondContact O-N 3.29Å; E251-I254 VanDerWaalsContact O-N 3.13Å; P252-I254 PolarHBondContact O-N 2.74Å; P252-I254 VanDerWaalsContact O-N 3.17Å; I254-N256 PolarHBondContact O-N 3.06Å; I254-K257 WeakPolarHBondContact O-CB 3.27Å; I254-K257 PolarHBondContact O-N 3.3Å; I254-V258 WeakPolarHBondContact O-CG2 3.44Å; I254-V258 PolarHBondContact O-N 3.33Å |
| 255 | Q | 97.3 | Very high | 98.2 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 8% | 0.079 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -52.4 | -51.4 | -175.9 | -171.8 | -167.7 | 43.9 | 0 | 0 | 112.6 | E251 P252 K257 V258 V259 T320 D321 I340 T342 | E251-Q255 PolarHBondContact O-N 3.38Å; P252-Q255 PolarHBondContact O-N 3.39Å; Q255-K257 VanDerWaalsContact C-N 3.32Å; Q255-K257 PolarHBondContact O-N 2.95Å; Q255-V258 WeakPolarHBondContact O-CB 3.48Å; Q255-V258 PolarHBondContact O-N 2.95Å; Q255-V258 VanDerWaalsContact O-N 3.14Å; Q255-V259 WeakPolarHBondContact O-CG2 3.29Å; Q255-V259 PolarHBondContact O-N 3.29Å; Q255-T320 HydrophobicContact CG-CG2 4.19Å; Q255-D321 PolarHBondContact NE2-OD1 3.13Å; Q255-I340 HydrophobicContact CG-CG2 3.98Å; Q255-T342 HydrophobicContact CB-CG2 4.25Å; Q255-T342 HydrophobicContact CG-CG2 4.21Å |
| 256 | N | 97.5 | Very high | 98.2 | Very high | 125 Ų | 125 | 38.4 Ų | 38.4 | 67% | 0.668 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -63.3 | -36.2 | -179.9 | -71.8 | -23.3 | 0 | 0 | 0 | 113 | I254 V258 V259 E260 | I254-N256 PolarHBondContact O-N 3.06Å; N256-V258 VanDerWaalsContact C-N 3.33Å; N256-V259 PolarHBondContact O-N 2.91Å; N256-E260 WeakPolarHBondContact O-CB 3.33Å; N256-E260 PolarHBondContact O-N 3.48Å |
| 257 | K | 98.1 | Very high | 98.1 | Very high | 137 Ų | 137 | 42.9 Ų | 42.9 | 60% | 0.596 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -67.8 | -37.3 | 176.2 | -64.7 | -179.5 | -179.1 | 176.3 | 0 | 111.2 | L223 I254 Q255 E260 G261 | L223-K257 HydrophobicContact CD1-CB 3.92Å; L223-K257 HydrophobicContact CD1-CD 4.04Å; I254-K257 WeakPolarHBondContact O-CB 3.27Å; I254-K257 PolarHBondContact O-N 3.3Å; Q255-K257 VanDerWaalsContact C-N 3.32Å; Q255-K257 PolarHBondContact O-N 2.95Å; K257-E260 PolarHBondContact O-N 3.38Å; K257-G261 PolarHBondContact O-N 3.38Å |
| 258 | V | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.6 | -46.9 | 176 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | I217 L223 C227 I248 I254 Q255 N256 E260 G261 I262 I340 | I217-V258 HydrophobicContact CD1-CG1 3.98Å; I217-V258 HydrophobicContact CD1-CG2 3.99Å; L223-V258 HydrophobicContact CD2-CG2 4.18Å; C227-V258 VanDerWaalsContact SG-CA 3.6Å; C227-V258 PolarHBondContact SG-O 3.44Å; C227-V258 VanDerWaalsContact SG-O 3.37Å; I248-V258 HydrophobicContact CD1-CG1 3.91Å; I254-V258 WeakPolarHBondContact O-CG2 3.44Å; I254-V258 PolarHBondContact O-N 3.33Å; Q255-V258 WeakPolarHBondContact O-CB 3.48Å; Q255-V258 PolarHBondContact O-N 2.95Å; Q255-V258 VanDerWaalsContact O-N 3.14Å; N256-V258 VanDerWaalsContact C-N 3.33Å; V258-E260 VanDerWaalsContact C-N 3.31Å; V258-E260 PolarHBondContact O-N 2.95Å; V258-G261 PolarHBondContact O-N 3.05Å; V258-I262 HydrophobicContact CG1-CD1 3.8Å; V258-I262 WeakPolarHBondContact O-CD1 3.48Å; V258-I262 VanDerWaalsContact O-CG1 3.3Å; V258-I262 WeakPolarHBondContact O-CG1 3.4Å; V258-I262 PolarHBondContact O-N 3.12Å; V258-I340 HydrophobicContact CG1-CD1 3.96Å |
| 259 | V | 98.5 | Very high | 98.1 | Very high | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.7 | -46.7 | 175.8 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | Q255 N256 I262 R263 T302 V318 T320 I340 | Q255-V259 WeakPolarHBondContact O-CG2 3.29Å; Q255-V259 PolarHBondContact O-N 3.29Å; N256-V259 PolarHBondContact O-N 2.91Å; V259-I262 PolarHBondContact O-N 3.11Å; V259-R263 PolarHBondContact O-N 3.45Å; V259-T302 HydrophobicContact CG1-CG2 3.99Å; V259-V318 HydrophobicContact CG2-CG1 4.28Å; V259-T320 HydrophobicContact CG2-CG2 3.58Å; V259-I340 HydrophobicContact CG2-CD1 3.72Å |
| 260 | E | 98.4 | Very high | 98 | Very high | 83 Ų | 83 | 52.1 Ų | 52.1 | 39% | 0.388 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.2 | -38.1 | -178.7 | -170.1 | 51.4 | -144.6 | 0 | 0 | 112.6 | N256 K257 V258 I262 R263 N264 | N256-E260 WeakPolarHBondContact O-CB 3.33Å; N256-E260 PolarHBondContact O-N 3.48Å; K257-E260 PolarHBondContact O-N 3.38Å; V258-E260 VanDerWaalsContact C-N 3.31Å; V258-E260 PolarHBondContact O-N 2.95Å; E260-I262 VanDerWaalsContact C-N 3.31Å; E260-I262 PolarHBondContact O-N 2.99Å; E260-R263 PolarHBondContact O-N 3.32Å; E260-R263 WeakPolarHBondContact OE2-CD 3.11Å; E260-R263 IonicContact OE2-NE 3.41Å; E260-R263 PolarHBondContact OE2-NE 3.01Å; E260-N264 PolarHBondContact O-N 3.31Å; E260-N264 PolarHBondContact O-ND2 2.97Å; E260-N264 PolarHBondContact OE1-ND2 3.29Å |
| 261 | G | 98.6 | Very high | 98 | Very high | 17 Ų | 17 | 53.2 Ų | 53.2 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -39.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K257 V258 T265 | K257-G261 PolarHBondContact O-N 3.38Å; V258-G261 PolarHBondContact O-N 3.05Å; G261-T265 WeakPolarHBondContact O-CB 3.46Å; G261-T265 PolarHBondContact O-N 3.48Å; G261-T265 VanDerWaalsContact O-N 3.11Å; G261-T265 PolarHBondContact O-OG1 2.92Å |
| 262 | I | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.3 | -45.4 | 175.3 | -67.1 | 161.9 | 0 | 0 | 0 | 110.7 | C227 F235 I248 V258 V259 E260 N264 T265 L266 L303 V318 L338 | C227-I262 HydrophobicContact CB-CG1 4.24Å; F235-I262 HydrophobicContact CE2-CG2 4.25Å; I248-I262 HydrophobicContact CD1-CD1 4Å; V258-I262 HydrophobicContact CG1-CD1 3.8Å; V258-I262 WeakPolarHBondContact O-CD1 3.48Å; V258-I262 VanDerWaalsContact O-CG1 3.3Å; V258-I262 WeakPolarHBondContact O-CG1 3.4Å; V258-I262 PolarHBondContact O-N 3.12Å; V259-I262 PolarHBondContact O-N 3.11Å; E260-I262 VanDerWaalsContact C-N 3.31Å; E260-I262 PolarHBondContact O-N 2.99Å; I262-N264 PolarHBondContact O-N 3.18Å; I262-T265 PolarHBondContact O-N 3.22Å; I262-L266 HydrophobicContact CG2-CD1 3.77Å; I262-L266 HydrophobicContact CG2-CG 4.23Å; I262-L266 WeakPolarHBondContact O-CB 3.49Å; I262-L266 WeakPolarHBondContact O-CG 3.41Å; I262-L266 PolarHBondContact O-N 3.35Å; I262-L303 HydrophobicContact CG2-CD2 4.45Å; I262-V318 HydrophobicContact CG2-CG2 3.81Å; I262-L338 HydrophobicContact CD1-CD2 3.87Å |
| 263 | R | 98.6 | Very high | 97.8 | Very high | 99 Ų | 99 | 57 Ų | 57 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -54.2 | -50.7 | 176.4 | -179.1 | -168.9 | -60.2 | -77.5 | -6.9 | 111.6 | V259 E260 T265 L266 Q267 L303 | V259-R263 PolarHBondContact O-N 3.45Å; E260-R263 PolarHBondContact O-N 3.32Å; E260-R263 WeakPolarHBondContact OE2-CD 3.11Å; E260-R263 IonicContact OE2-NE 3.41Å; E260-R263 PolarHBondContact OE2-NE 3.01Å; R263-T265 VanDerWaalsContact C-N 3.32Å; R263-T265 PolarHBondContact O-N 2.71Å; R263-L266 PolarHBondContact O-N 2.97Å; R263-Q267 PolarHBondContact O-N 2.89Å; R263-L303 HydrophobicContact CB-CD1 4.47Å; R263-L303 HydrophobicContact CB-CD2 4.13Å; R263-L303 HydrophobicContact CG-CD1 4.16Å |
| 264 | N | 98.6 | Very high | 97.8 | Very high | 92 Ų | 92 | 54.3 Ų | 54.3 | 49% | 0.492 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | -179.3 | -72.4 | -50.2 | 0 | 0 | 0 | 111.9 | E260 I262 Q267 E268 | E260-N264 PolarHBondContact O-N 3.31Å; E260-N264 PolarHBondContact O-ND2 2.97Å; E260-N264 PolarHBondContact OE1-ND2 3.29Å; I262-N264 PolarHBondContact O-N 3.18Å; N264-Q267 PolarHBondContact O-N 3.37Å; N264-E268 PolarHBondContact O-N 3.06Å; N264-E268 VanDerWaalsContact O-N 3.11Å |
| 265 | T | 98.7 | Very high | 97.7 | Very high | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.055 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 176.7 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | R228 T231 G261 I262 R263 Q267 E268 F269 | R228-T265 HydrophobicContact CB-CG2 4.35Å; R228-T265 HydrophobicContact CG-CG2 3.9Å; T231-T265 HydrophobicContact CG2-CG2 3.69Å; G261-T265 WeakPolarHBondContact O-CB 3.46Å; G261-T265 PolarHBondContact O-N 3.48Å; G261-T265 VanDerWaalsContact O-N 3.11Å; G261-T265 PolarHBondContact O-OG1 2.92Å; I262-T265 PolarHBondContact O-N 3.22Å; R263-T265 VanDerWaalsContact C-N 3.32Å; R263-T265 PolarHBondContact O-N 2.71Å; T265-Q267 PolarHBondContact O-N 3.29Å; T265-E268 WeakPolarHBondContact O-CB 3.41Å; T265-E268 PolarHBondContact O-N 3.4Å; T265-F269 HydrophobicContact CG2-CD1 4.12Å; T265-F269 HydrophobicContact CG2-CD2 3.74Å; T265-F269 HydrophobicContact CG2-CE1 3.76Å; T265-F269 HydrophobicContact CG2-CE2 3.33Å; T265-F269 HydrophobicContact CG2-CG 4.12Å; T265-F269 HydrophobicContact CG2-CZ 3.34Å; T265-F269 WeakPolarHBondContact O-CG 3.35Å; T265-F269 PolarHBondContact O-N 3.5Å |
| 266 | L | 98.4 | Very high | 97.7 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 177.4 | -75.6 | 170.2 | 0 | 0 | 0 | 112.1 | T231 F235 I262 R263 E268 F269 Y270 L303 P316 | T231-L266 HydrophobicContact CG2-CD2 3.64Å; T231-L266 HydrophobicContact CG2-CG 3.77Å; F235-L266 HydrophobicContact CD2-CD2 3.6Å; F235-L266 HydrophobicContact CE2-CD1 4.18Å; F235-L266 HydrophobicContact CE2-CD2 3.84Å; F235-L266 HydrophobicContact CE2-CG 4.34Å; F235-L266 HydrophobicContact CG-CD2 4.08Å; F235-L266 HydrophobicContact CZ-CD1 4.44Å; I262-L266 HydrophobicContact CG2-CD1 3.77Å; I262-L266 HydrophobicContact CG2-CG 4.23Å; I262-L266 WeakPolarHBondContact O-CB 3.49Å; I262-L266 WeakPolarHBondContact O-CG 3.41Å; I262-L266 PolarHBondContact O-N 3.35Å; R263-L266 PolarHBondContact O-N 2.97Å; L266-E268 VanDerWaalsContact C-N 3.27Å; L266-E268 PolarHBondContact O-N 3.25Å; L266-F269 PolarHBondContact O-N 3.31Å; L266-Y270 HydrophobicContact CD2-CD2 3.77Å; L266-Y270 HydrophobicContact CD2-CE2 3.82Å; L266-Y270 PolarHBondContact O-N 2.87Å; L266-L303 HydrophobicContact CD1-CD2 3.54Å; L266-P316 HydrophobicContact CD1-CB 3.71Å; L266-P316 HydrophobicContact CD2-CB 3.49Å; L266-P316 VanDerWaalsContact CD2-CB 3.49Å; L266-P316 HydrophobicContact CD2-CG 3.84Å; L266-P316 HydrophobicContact CG-CB 4.23Å |
| 267 | Q | 97.9 | Very high | 97.6 | Very high | 101 Ų | 101 | 55 Ų | 55 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.1 | -38.6 | 174.2 | -178.3 | 64.3 | 39.1 | 0 | 0 | 111.6 | R263 N264 T265 G271 | R263-Q267 PolarHBondContact O-N 2.89Å; N264-Q267 PolarHBondContact O-N 3.37Å; T265-Q267 PolarHBondContact O-N 3.29Å; Q267-G271 WeakPolarHBondContact O-CA 3.48Å; Q267-G271 PolarHBondContact O-N 3.43Å |
| 268 | E | 98.3 | Very high | 97.4 | Very high | 119 Ų | 119 | 52.5 Ų | 52.5 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -69.4 | -45 | 176.1 | -172 | -169 | 138 | 0 | 0 | 112.4 | R228 N264 T265 L266 | R228-E268 IonicContact CZ-OE1 2.97Å; R228-E268 IonicContact CZ-OE2 3.39Å; R228-E268 IonicContact NH1-OE1 2.71Å; R228-E268 PolarHBondContact NH1-OE1 3.32Å; R228-E268 IonicContact NH1-OE2 2.71Å; R228-E268 PolarHBondContact NH1-OE2 3.08Å; R228-E268 IonicContact NH2-OE1 3.25Å; R228-E268 PolarHBondContact NH2-OE1 3.26Å; N264-E268 PolarHBondContact O-N 3.06Å; N264-E268 VanDerWaalsContact O-N 3.11Å; T265-E268 WeakPolarHBondContact O-CB 3.41Å; T265-E268 PolarHBondContact O-N 3.4Å; L266-E268 VanDerWaalsContact C-N 3.27Å; L266-E268 PolarHBondContact O-N 3.25Å |
| 269 | F | 97.6 | Very high | 97.2 | Very high | 54 Ų | 54 | 55.6 Ų | 55.6 | 24% | 0.237 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -75 | -40.9 | -174.2 | -70.6 | -4.4 | 0 | 0 | 0 | 113.3 | R228 T231 W232 T265 L266 | R228-F269 HydrophobicContact CG-CZ 4.07Å; T231-F269 HydrophobicContact CG2-CD2 4.17Å; T231-F269 HydrophobicContact CG2-CE2 4.24Å; W232-F269 HydrophobicContact CB-CE2 3.83Å; W232-F269 HydrophobicContact CB-CZ 4.32Å; T265-F269 HydrophobicContact CG2-CD1 4.12Å; T265-F269 HydrophobicContact CG2-CD2 3.74Å; T265-F269 HydrophobicContact CG2-CE1 3.76Å; T265-F269 HydrophobicContact CG2-CE2 3.33Å; T265-F269 HydrophobicContact CG2-CG 4.12Å; T265-F269 HydrophobicContact CG2-CZ 3.34Å; T265-F269 WeakPolarHBondContact O-CG 3.35Å; T265-F269 PolarHBondContact O-N 3.5Å; L266-F269 PolarHBondContact O-N 3.31Å |
| 270 | Y | 97.4 | Very high | 97.1 | Very high | 25 Ų | 25 | 55.2 Ų | 55.2 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -121.5 | -0.3 | -169.2 | -53.7 | -59.3 | 0 | 0 | 0 | 113.3 | F235 L266 Y280 P316 | F235-Y270 HydrophobicContact CB-CE2 3.97Å; L266-Y270 HydrophobicContact CD2-CD2 3.77Å; L266-Y270 HydrophobicContact CD2-CE2 3.82Å; L266-Y270 PolarHBondContact O-N 2.87Å; Y270-Y280 HydrophobicContact CD1-CD2 4.12Å; Y270-Y280 HydrophobicContact CD2-CD2 4.32Å; Y270-Y280 AromaticContact CE1-CD2 3.87Å; Y270-Y280 HydrophobicContact CE1-CD2 3.87Å; Y270-Y280 HydrophobicContact CE2-CD2 4.07Å; Y270-Y280 HydrophobicContact CE2-CE2 4.37Å; Y270-Y280 HydrophobicContact CG-CD2 4.34Å; Y270-Y280 AromaticContact CZ-CD2 3.84Å; Y270-P316 HydrophobicContact CD2-CG 4.36Å |
| 271 | G | 97.1 | Very high | 97 | Very high | 22 Ų | 22 | 51.6 Ų | 51.6 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | trans | 71.3 | -168.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q267 D273 | Q267-G271 WeakPolarHBondContact O-CA 3.48Å; Q267-G271 PolarHBondContact O-N 3.43Å; G271-D273 VanDerWaalsContact C-N 3.27Å; G271-D273 PolarHBondContact O-N 2.94Å | ||
| 272 | P | 94.9 | Very high | 97 | Very high | 114 Ų | 114 | 52.3 Ų | 52.3 | 74% | 0.74 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -72.8 | -18.3 | -177.6 | 30.1 | -34.7 | 0 | 0 | 0 | 113.7 | ||
| 273 | D | 96.3 | Very high | 97 | Very high | 72 Ų | 72 | 52.5 Ų | 52.5 | 39% | 0.385 | 28% | 0.283 | S | S | . | . | trans | -129.8 | 91.3 | 177.4 | 173.8 | 29.4 | 0 | 0 | 0 | 110.5 | G271 K275 S276 | G271-D273 VanDerWaalsContact C-N 3.27Å; G271-D273 PolarHBondContact O-N 2.94Å; D273-K275 PolarHBondContact O-N 2.88Å; D273-K275 VanDerWaalsContact O-N 3.07Å; D273-K275 WeakPolarHBondContact OD1-CB 3.36Å; D273-K275 PolarHBondContact OD1-N 3.12Å; D273-K275 VanDerWaalsContact OD1-N 3.12Å; D273-S276 PolarHBondContact O-N 2.84Å; D273-S276 PolarHBondContact O-OG 3.34Å; D273-S276 VanDerWaalsContact O-OG 3.11Å; D273-S276 VanDerWaalsContact OD2-CB 3.3Å; D273-S276 WeakPolarHBondContact OD2-CB 3.48Å; D273-S276 PolarHBondContact OD2-N 2.88Å; D273-S276 PolarHBondContact OD2-OG 3.17Å | ||
| 274 | P | 96.4 | Very high | 97 | Very high | 23 Ų | 23 | 48.7 Ų | 48.7 | 15% | 0.149 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -19.5 | 177.7 | -25.5 | 35 | 0 | 0 | 0 | 114.1 | S276 S277 Y280 P316 | P274-S276 VanDerWaalsContact C-N 3.35Å; P274-S277 PolarHBondContact O-N 2.86Å; P274-Y280 WeakPolarHBondContact O-CB 3.31Å; P274-P316 HydrophobicContact CB-CG 4.05Å; P274-P316 HydrophobicContact CG-CG 4.17Å |
| 275 | K | 97 | Very high | 97 | Very high | 65 Ų | 65 | 46.2 Ų | 46.2 | 28% | 0.283 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -38.9 | 178.1 | -166.8 | 178 | 179.7 | -178.7 | 0 | 111.8 | D273 R282 D308 Y313 | D273-K275 PolarHBondContact O-N 2.88Å; D273-K275 VanDerWaalsContact O-N 3.07Å; D273-K275 WeakPolarHBondContact OD1-CB 3.36Å; D273-K275 PolarHBondContact OD1-N 3.12Å; D273-K275 VanDerWaalsContact OD1-N 3.12Å; K275-R282 PolarHBondContact O-NH2 2.98Å; K275-D308 VanDerWaalsContact CE-OD2 3.31Å; K275-D308 WeakPolarHBondContact CE-OD2 3.48Å; K275-D308 IonicContact NZ-OD2 2.67Å; K275-D308 PolarHBondContact NZ-OD2 3.21Å; K275-Y313 VanDerWaalsContact CA-CE2 3.41Å; K275-Y313 HydrophobicContact CB-CD1 4.31Å; K275-Y313 HydrophobicContact CB-CD2 4.22Å; K275-Y313 HydrophobicContact CB-CE1 3.86Å; K275-Y313 HydrophobicContact CB-CE2 3.75Å; K275-Y313 HydrophobicContact CB-CG 4.47Å; K275-Y313 HydrophobicContact CD-CD1 3.95Å; K275-Y313 HydrophobicContact CD-CE1 4.05Å; K275-Y313 HydrophobicContact CD-CG 4.41Å; K275-Y313 HydrophobicContact CG-CD1 3.85Å; K275-Y313 HydrophobicContact CG-CD2 4Å; K275-Y313 HydrophobicContact CG-CE1 3.91Å; K275-Y313 HydrophobicContact CG-CE2 4.05Å; K275-Y313 HydrophobicContact CG-CG 3.89Å; K275-Y313 PolarHBondContact N-OH 3.03Å |
| 276 | S | 95.9 | Very high | 96.9 | Very high | 89 Ų | 89 | 50.5 Ų | 50.5 | 62% | 0.622 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -7.5 | 179.8 | 55.4 | 0 | 0 | 0 | 0 | 114 | D273 P274 | D273-S276 PolarHBondContact O-N 2.84Å; D273-S276 PolarHBondContact O-OG 3.34Å; D273-S276 VanDerWaalsContact O-OG 3.11Å; D273-S276 VanDerWaalsContact OD2-CB 3.3Å; D273-S276 WeakPolarHBondContact OD2-CB 3.48Å; D273-S276 PolarHBondContact OD2-N 2.88Å; D273-S276 PolarHBondContact OD2-OG 3.17Å; P274-S276 VanDerWaalsContact C-N 3.35Å |
| 277 | S | 95.9 | Very high | 96.9 | Very high | 13 Ų | 13 | 59.8 Ų | 59.8 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | trans | -62.4 | 129.9 | 176.5 | 178.8 | 0 | 0 | 0 | 0 | 111.8 | P274 D279 Y280 | P274-S277 PolarHBondContact O-N 2.86Å; S277-D279 PolarHBondContact O-N 2.66Å; S277-D279 PolarHBondContact OG-N 3Å; S277-Y280 PolarHBondContact O-N 2.54Å | ||
| 278 | P | 93.3 | Very high | 97 | Very high | 83 Ų | 83 | 56.5 Ų | 56.5 | 54% | 0.539 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -20.1 | 177.4 | 29.2 | -35.1 | 0 | 0 | 0 | 113.3 | ||
| 279 | D | 93.7 | Very high | 97 | Very high | 65 Ų | 65 | 51.5 Ų | 51.5 | 35% | 0.348 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 2.7 | -176.1 | -55.5 | -49.6 | 0 | 0 | 0 | 112.6 | S53 S277 | S53-D279 WeakPolarHBondContact CB-OD1 3.31Å; S53-D279 PolarHBondContact OG-OD1 3.11Å; S277-D279 PolarHBondContact O-N 2.66Å; S277-D279 PolarHBondContact OG-N 3Å |
| 280 | Y | 96.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | trans | -102.2 | 118.1 | 175.1 | -161.2 | -110.8 | 0 | 0 | 0 | 111.4 | N51 F235 V238 Y270 P274 S277 R282 Y313 I314 P316 P336 | N51-Y280 PolarHBondContact ND2-O 3.1Å; F235-Y280 HydrophobicContact CB-CE2 4.42Å; V238-Y280 HydrophobicContact CG1-CD1 4.18Å; V238-Y280 HydrophobicContact CG1-CD2 4.29Å; V238-Y280 HydrophobicContact CG1-CE1 3.54Å; V238-Y280 HydrophobicContact CG1-CE2 3.66Å; V238-Y280 WeakPolarHBondContact CG1-OH 3.46Å; Y270-Y280 HydrophobicContact CD1-CD2 4.12Å; Y270-Y280 HydrophobicContact CD2-CD2 4.32Å; Y270-Y280 AromaticContact CE1-CD2 3.87Å; Y270-Y280 HydrophobicContact CE1-CD2 3.87Å; Y270-Y280 HydrophobicContact CE2-CD2 4.07Å; Y270-Y280 HydrophobicContact CE2-CE2 4.37Å; Y270-Y280 HydrophobicContact CG-CD2 4.34Å; Y270-Y280 AromaticContact CZ-CD2 3.84Å; P274-Y280 WeakPolarHBondContact O-CB 3.31Å; S277-Y280 PolarHBondContact O-N 2.54Å; Y280-R282 PolarHBondContact O-NH1 2.91Å; Y280-Y313 HydrophobicContact CD1-CD2 4.08Å; Y280-Y313 AromaticContact CD1-CE2 3.75Å; Y280-Y313 HydrophobicContact CD1-CE2 3.75Å; Y280-Y313 AromaticContact CE1-CD2 3.93Å; Y280-Y313 HydrophobicContact CE1-CD2 3.93Å; Y280-Y313 AromaticContact CE1-CE2 3.56Å; Y280-Y313 HydrophobicContact CE1-CE2 3.56Å; Y280-I314 VanDerWaalsContact CE1-O 3.28Å; Y280-I314 WeakPolarHBondContact CE1-O 3.4Å; Y280-I314 PolarHBondContact OH-O 2.99Å; Y280-P316 HydrophobicContact CD2-CG 4.49Å; Y280-P316 HydrophobicContact CE2-CG 3.68Å; Y280-P316 WeakPolarHBondContact OH-CD 3.42Å; Y280-P336 WeakPolarHBondContact OH-CB 3.39Å | ||
| 281 | G | 96.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 7% | 0.072 | 29% | 0.292 | C | S | . | . | trans | -72.2 | -170 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L50 | L50-G281 WeakPolarHBondContact O-CA 2.97Š| ||
| 282 | R | 98.2 | Very high | 97.2 | Very high | 33 Ų | 33 | 52.9 Ų | 52.9 | 13% | 0.125 | 28% | 0.281 | C | S | . | . | trans | -127.8 | 155.5 | 173.4 | -63.5 | -59.6 | -178.9 | -96 | 2.2 | 111.4 | L50 N51 V238 Q240 K275 Y280 Q311 | L50-R282 PolarHBondContact O-N 2.77Å; N51-R282 HydrophobicContact CB-CB 4.03Å; N51-R282 HydrophobicContact CB-CG 3.58Å; N51-R282 PolarHBondContact ND2-NH1 2.92Å; V238-R282 WeakPolarHBondContact CG2-O 3.38Å; Q240-R282 PolarHBondContact NE2-O 3.45Å; K275-R282 PolarHBondContact O-NH2 2.98Å; Y280-R282 PolarHBondContact O-NH1 2.91Å; R282-Q311 WeakPolarHBondContact CD-O 3.47Å; R282-Q311 WeakPolarHBondContact CG-O 3.36Å | ||
| 283 | I | 98.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | trans | -64.8 | 135.8 | 171.3 | -57.4 | -62.1 | 0 | 0 | 0 | 108.2 | Q240 N285 H288 F289 C312 I314 | Q240-I283 HydrophobicContact CG-CD1 4.36Å; I283-N285 PolarHBondContact O-N 3.47Å; I283-H288 HydrophobicContact CG2-CB 3.51Å; I283-F289 HydrophobicContact CB-CB 4.44Å; I283-F289 HydrophobicContact CG2-CB 4.21Å; I283-C312 HydrophobicContact CB-CB 4.2Å; I283-C312 WeakPolarHBondContact CB-O 3.48Å; I283-C312 PolarHBondContact N-O 2.99Å; I283-C312 WeakPolarHBondContact O-CB 3.5Å; I283-I314 HydrophobicContact CD1-CD1 4.26Å; I283-I314 HydrophobicContact CG1-CD1 3.81Å; I283-I314 HydrophobicContact CG1-CG1 4.06Å | ||
| 284 | I | 98.6 | Very high | 97.4 | Very high | 19 Ų | 19 | 46.6 Ų | 46.6 | 10% | 0.097 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -52.3 | -34.6 | -169.6 | -174.4 | 57.9 | 0 | 0 | 0 | 114.5 | D49 L50 W112 L140 H288 | D49-I284 VanDerWaalsContact O-CD1 3.28Å; D49-I284 WeakPolarHBondContact O-CD1 3.32Å; L50-I284 HydrophobicContact CD2-CB 4.36Å; L50-I284 HydrophobicContact CD2-CD1 3.78Å; L50-I284 HydrophobicContact CG-CD1 4.42Å; W112-I284 HydrophobicContact CD2-CB 4.39Å; W112-I284 HydrophobicContact CD2-CG1 4.13Å; W112-I284 HydrophobicContact CD2-CG2 4.27Å; W112-I284 HydrophobicContact CE3-CB 3.66Å; W112-I284 HydrophobicContact CE3-CD1 4.17Å; W112-I284 HydrophobicContact CE3-CG1 3.68Å; W112-I284 HydrophobicContact CE3-CG2 3.88Å; W112-I284 HydrophobicContact CH2-CB 4.1Å; W112-I284 HydrophobicContact CH2-CG2 3.55Å; W112-I284 HydrophobicContact CZ2-CG2 4Å; W112-I284 HydrophobicContact CZ3-CB 3.52Å; W112-I284 HydrophobicContact CZ3-CG1 4.1Å; W112-I284 HydrophobicContact CZ3-CG2 3.53Å; L140-I284 HydrophobicContact CB-CG1 4.12Å; L140-I284 WeakPolarHBondContact O-CD1 3.24Å; I284-H288 HydrophobicContact CG2-CB 3.86Å |
| 285 | N | 98.4 | Very high | 97.5 | Very high | 41 Ų | 41 | 45.5 Ų | 45.5 | 22% | 0.219 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -163 | 174.2 | 177.1 | 60.8 | 43 | 0 | 0 | 0 | 112 | I283 R287 H288 F289 | I283-N285 PolarHBondContact O-N 3.47Å; N285-R287 VanDerWaalsContact C-N 3.3Å; N285-R287 PolarHBondContact O-N 3.12Å; N285-R287 WeakPolarHBondContact OD1-CB 3.28Å; N285-R287 PolarHBondContact OD1-N 3.38Å; N285-R287 VanDerWaalsContact OD1-N 3.1Å; N285-H288 PolarHBondContact O-N 3.06Å; N285-H288 PolarHBondContact OD1-CD2 3.35Å; N285-H288 PolarHBondContact OD1-N 3.03Å; N285-F289 WeakPolarHBondContact O-CB 3.43Å; N285-F289 PolarHBondContact O-N 2.94Å |
| 286 | L | 98.4 | Very high | 97.5 | Very high | 98 Ų | 98 | 43.5 Ų | 43.5 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.1 | -31.7 | -178.7 | -170.3 | 61.5 | 0 | 0 | 0 | 113.5 | F289 S290 P309 | L286-F289 HydrophobicContact CD1-CB 4.48Å; L286-F289 HydrophobicContact CD1-CD1 4Å; L286-F289 HydrophobicContact CD1-CG 4.46Å; L286-F289 WeakPolarHBondContact O-CB 3.3Å; L286-F289 PolarHBondContact O-N 3.3Å; L286-S290 PolarHBondContact O-N 2.94Å; L286-S290 PolarHBondContact O-OG 3.1Å; L286-S290 VanDerWaalsContact O-OG 3.11Å; L286-P309 HydrophobicContact CD1-CB 4.12Å |
| 287 | R | 98.4 | Very high | 97.3 | Very high | 207 Ų | 207 | 46.1 Ų | 46.1 | 78% | 0.781 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -64.1 | -47.7 | 176.3 | 176.8 | -174.6 | 173.8 | -172.6 | -1 | 111 | N285 R291 | N285-R287 VanDerWaalsContact C-N 3.3Å; N285-R287 PolarHBondContact O-N 3.12Å; N285-R287 WeakPolarHBondContact OD1-CB 3.28Å; N285-R287 PolarHBondContact OD1-N 3.38Å; N285-R287 VanDerWaalsContact OD1-N 3.1Å; R287-R291 WeakPolarHBondContact O-CB 3.36Å; R287-R291 PolarHBondContact O-N 3.29Å; R287-R291 VanDerWaalsContact O-N 3.08Å |
| 288 | H | 98.6 | Very high | 96.9 | Very high | 33 Ų | 33 | 49.6 Ų | 49.6 | 15% | 0.153 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.3 | -37 | 176.7 | -80.2 | -89.3 | 0 | 0 | 0 | 111.4 | W112 I283 I284 N285 R291 V292 | W112-H288 AromaticContact CZ2-CE1 3.71Å; I283-H288 HydrophobicContact CG2-CB 3.51Å; I284-H288 HydrophobicContact CG2-CB 3.86Å; N285-H288 PolarHBondContact O-N 3.06Å; N285-H288 PolarHBondContact OD1-CD2 3.35Å; N285-H288 PolarHBondContact OD1-N 3.03Å; H288-R291 PolarHBondContact O-N 3.39Å; H288-V292 VanDerWaalsContact O-CG2 3.29Å; H288-V292 WeakPolarHBondContact O-CG2 3.32Å; H288-V292 PolarHBondContact O-N 3.06Å |
| 289 | F | 98.8 | Very high | 96.9 | Very high | 13 Ų | 13 | 47 Ų | 47 | 6% | 0.057 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.4 | -55.1 | 174.1 | 174.1 | -85.9 | 0 | 0 | 0 | 111.1 | I283 N285 L286 R291 V292 M293 P309 Y313 I314 | I283-F289 HydrophobicContact CB-CB 4.44Å; I283-F289 HydrophobicContact CG2-CB 4.21Å; N285-F289 WeakPolarHBondContact O-CB 3.43Å; N285-F289 PolarHBondContact O-N 2.94Å; L286-F289 HydrophobicContact CD1-CB 4.48Å; L286-F289 HydrophobicContact CD1-CD1 4Å; L286-F289 HydrophobicContact CD1-CG 4.46Å; L286-F289 WeakPolarHBondContact O-CB 3.3Å; L286-F289 PolarHBondContact O-N 3.3Å; F289-R291 VanDerWaalsContact C-N 3.31Å; F289-R291 PolarHBondContact O-N 3.08Å; F289-V292 PolarHBondContact O-N 3.46Å; F289-M293 HydrophobicContact CD1-CG 4.32Å; F289-M293 HydrophobicContact CE1-CG 3.87Å; F289-M293 HydrophobicContact CE2-CG 4.21Å; F289-M293 HydrophobicContact CZ-CG 3.82Å; F289-M293 WeakPolarHBondContact O-CG 3.45Å; F289-M293 PolarHBondContact O-N 3.39Å; F289-P309 HydrophobicContact CD1-CB 4.22Å; F289-P309 HydrophobicContact CE1-CB 3.63Å; F289-P309 HydrophobicContact CZ-CB 3.84Å; F289-Y313 WeakPolarHBondContact CE2-O 3.29Å; F289-I314 HydrophobicContact CD2-CD1 3.95Å; F289-I314 HydrophobicContact CD2-CG1 3.68Å; F289-I314 HydrophobicContact CE2-CD1 4.23Å; F289-I314 HydrophobicContact CE2-CG1 3.61Å |
| 290 | S | 98.6 | Very high | 96.7 | Very high | 67 Ų | 67 | 48.3 Ų | 48.3 | 47% | 0.469 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.6 | -38.3 | -179.3 | -61 | 0 | 0 | 0 | 0 | 112.1 | L286 G294 | L286-S290 PolarHBondContact O-N 2.94Å; L286-S290 PolarHBondContact O-OG 3.1Å; L286-S290 VanDerWaalsContact O-OG 3.11Å; S290-G294 PolarHBondContact O-N 3.49Å |
| 291 | R | 98.4 | Very high | 96.8 | Very high | 63 Ų | 63 | 51 Ų | 51 | 24% | 0.238 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.9 | -50.3 | 174.6 | -178.3 | -166.7 | 65.3 | 87.2 | 5.1 | 111.3 | R287 H288 F289 G294 L295 E332 I333 | R287-R291 WeakPolarHBondContact O-CB 3.36Å; R287-R291 PolarHBondContact O-N 3.29Å; R287-R291 VanDerWaalsContact O-N 3.08Å; H288-R291 PolarHBondContact O-N 3.39Å; F289-R291 VanDerWaalsContact C-N 3.31Å; F289-R291 PolarHBondContact O-N 3.08Å; R291-G294 PolarHBondContact O-N 3.03Å; R291-L295 PolarHBondContact O-N 3.22Å; R291-E332 PolarHBondContact NH1-O 3.31Å; R291-I333 PolarHBondContact NH1-O 2.86Å; R291-I333 VanDerWaalsContact NH1-O 3.16Å; R291-I333 PolarHBondContact NH2-O 2.91Å |
| 292 | V | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.4 | -46.4 | -177.4 | 174 | 0 | 0 | 0 | 0 | 110.5 | H288 F289 G294 L295 I314 L337 | H288-V292 VanDerWaalsContact O-CG2 3.29Å; H288-V292 WeakPolarHBondContact O-CG2 3.32Å; H288-V292 PolarHBondContact O-N 3.06Å; F289-V292 PolarHBondContact O-N 3.46Å; V292-G294 VanDerWaalsContact C-N 3.29Å; V292-G294 PolarHBondContact O-N 2.95Å; V292-L295 VanDerWaalsContact O-CB 3.29Å; V292-L295 WeakPolarHBondContact O-CB 3.22Å; V292-L295 PolarHBondContact O-N 3.39Å; V292-I314 HydrophobicContact CB-CD1 3.79Å; V292-I314 HydrophobicContact CG1-CD1 3.57Å; V292-L337 HydrophobicContact CG1-CD1 3.66Å; V292-L337 HydrophobicContact CG1-CD2 4.28Å; V292-L337 HydrophobicContact CG1-CG 3.77Å; V292-L337 WeakPolarHBondContact O-CD1 3.45Å |
| 293 | M | 98.3 | Very high | 96.8 | Very high | 45 Ų | 45 | 52.7 Ų | 52.7 | 22% | 0.222 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 176.7 | -71 | -56 | -61.5 | 0 | 0 | 112.3 | F289 L295 L296 S307 I314 | F289-M293 HydrophobicContact CD1-CG 4.32Å; F289-M293 HydrophobicContact CE1-CG 3.87Å; F289-M293 HydrophobicContact CE2-CG 4.21Å; F289-M293 HydrophobicContact CZ-CG 3.82Å; F289-M293 WeakPolarHBondContact O-CG 3.45Å; F289-M293 PolarHBondContact O-N 3.39Å; M293-L295 PolarHBondContact O-N 2.88Å; M293-L295 VanDerWaalsContact O-N 3.16Å; M293-L296 HydrophobicContact CE-CD1 4.2Å; M293-L296 WeakPolarHBondContact O-CB 3.4Å; M293-L296 PolarHBondContact O-N 2.82Å; M293-L296 HydrophobicContact SD-CD1 4.43Å; M293-S307 WeakPolarHBondContact CE-OG 3.36Å; M293-I314 HydrophobicContact CG-CD1 3.84Å; M293-I314 HydrophobicContact CG-CG1 4.26Å; M293-I314 HydrophobicContact SD-CB 4.45Å; M293-I314 HydrophobicContact SD-CD1 3.76Å; M293-I314 HydrophobicContact SD-CG1 3.83Å; M293-I314 HydrophobicContact SD-CG2 3.86Å |
| 294 | G | 97.8 | Very high | 96.7 | Very high | 9 Ų | 9 | 53.8 Ų | 53.8 | 9% | 0.093 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.4 | -16 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S290 R291 V292 L296 | S290-G294 PolarHBondContact O-N 3.49Å; R291-G294 PolarHBondContact O-N 3.03Å; V292-G294 VanDerWaalsContact C-N 3.29Å; V292-G294 PolarHBondContact O-N 2.95Å; G294-L296 VanDerWaalsContact C-N 3.26Å; G294-L296 PolarHBondContact O-N 3.48Å |
| 295 | L | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -20.3 | 172.7 | -59.7 | 177.4 | 0 | 0 | 0 | 112.6 | R291 V292 M293 E297 R327 L328 E331 I333 L337 | R291-L295 PolarHBondContact O-N 3.22Å; V292-L295 VanDerWaalsContact O-CB 3.29Å; V292-L295 WeakPolarHBondContact O-CB 3.22Å; V292-L295 PolarHBondContact O-N 3.39Å; M293-L295 PolarHBondContact O-N 2.88Å; M293-L295 VanDerWaalsContact O-N 3.16Å; L295-E297 VanDerWaalsContact C-N 3.32Å; L295-R327 HydrophobicContact CD2-CB 4.17Å; L295-L328 HydrophobicContact CB-CB 4.49Å; L295-L328 HydrophobicContact CB-CD1 3.95Å; L295-L328 HydrophobicContact CD1-CD1 4.43Å; L295-E331 HydrophobicContact CD2-CB 4.44Å; L295-I333 HydrophobicContact CD1-CB 4.48Å; L295-I333 HydrophobicContact CD1-CG1 4.47Å; L295-I333 HydrophobicContact CD1-CG2 4.3Å; L295-L337 HydrophobicContact CB-CD1 4.07Å; L295-L337 HydrophobicContact CD1-CD1 4.48Å |
| 296 | L | 96.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 12% | 0.115 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -8.6 | 178.6 | -65.2 | 177.4 | 0 | 0 | 0 | 113.2 | M293 G294 G298 C299 V301 T317 V319 L337 | M293-L296 HydrophobicContact CE-CD1 4.2Å; M293-L296 WeakPolarHBondContact O-CB 3.4Å; M293-L296 PolarHBondContact O-N 2.82Å; M293-L296 HydrophobicContact SD-CD1 4.43Å; G294-L296 VanDerWaalsContact C-N 3.26Å; G294-L296 PolarHBondContact O-N 3.48Å; L296-G298 PolarHBondContact O-N 2.69Å; L296-C299 WeakPolarHBondContact O-CB 3.34Å; L296-C299 PolarHBondContact O-N 3.32Å; L296-V301 HydrophobicContact CD1-CG2 4.49Å; L296-V301 HydrophobicContact CD2-CG2 4.28Å; L296-T317 HydrophobicContact CD1-CG2 4.45Å; L296-T317 HydrophobicContact CD2-CG2 4.3Å; L296-V319 HydrophobicContact CD2-CG2 3.79Å; L296-L337 HydrophobicContact CD1-CD1 4.47Å; L296-L337 HydrophobicContact CD1-CD2 3.99Å; L296-L337 HydrophobicContact CD2-CD1 3.83Å; L296-L337 HydrophobicContact CD2-CD2 4.09Å; L296-L337 HydrophobicContact CD2-CG 4.43Å; L296-L337 HydrophobicContact CG-CD1 3.84Å; L296-L337 HydrophobicContact CG-CD2 4.19Å |
| 297 | E | 92.8 | Very high | 96.5 | Very high | 144 Ų | 144 | 55.5 Ų | 55.5 | 67% | 0.673 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 124.6 | 177.1 | -70.1 | 174.8 | -171.7 | 0 | 0 | 110.9 | L295 C299 | L295-E297 VanDerWaalsContact C-N 3.32Å; E297-C299 PolarHBondContact O-N 3.12Å |
| 298 | G | 87.7 | Confident | 96.5 | Very high | 86 Ų | 86 | 47 Ų | 47 | 89% | 0.887 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L296 | L296-G298 PolarHBondContact O-N 2.69Š|
| 299 | C | 92.8 | Very high | 96.5 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 19% | 0.189 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -101.1 | 150 | 174.8 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | L296 E297 V319 | L296-C299 WeakPolarHBondContact O-CB 3.34Å; L296-C299 PolarHBondContact O-N 3.32Å; E297-C299 PolarHBondContact O-N 3.12Å; C299-V319 HydrophobicContact CB-CG1 3.8Å |
| 300 | S | 90.6 | Very high | 96.5 | Very high | 94 Ų | 94 | 53 Ų | 53 | 66% | 0.657 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -96.8 | 116.2 | 171.9 | -167.9 | 0 | 0 | 0 | 0 | 109.9 | V319 | S300-V319 WeakPolarHBondContact O-CG1 3.43Š|
| 301 | V | 97.2 | Very high | 96.3 | Very high | 57 Ų | 57 | 54.2 Ų | 54.2 | 35% | 0.345 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 127.6 | -179.1 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | L296 L303 G304 T317 | L296-V301 HydrophobicContact CD1-CG2 4.49Å; L296-V301 HydrophobicContact CD2-CG2 4.28Å; V301-L303 VanDerWaalsContact CG1-O 3.32Å; V301-L303 WeakPolarHBondContact CG1-O 3.44Å; V301-G304 WeakPolarHBondContact CG1-O 3.45Å; V301-T317 HydrophobicContact CG1-CG2 3.76Å; V301-T317 HydrophobicContact CG2-CG2 4.27Å |
| 302 | T | 97.6 | Very high | 96.3 | Very high | 50 Ų | 50 | 52.2 Ų | 52.2 | 31% | 0.307 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -32.5 | -177.6 | -40.6 | 0 | 0 | 0 | 0 | 112.1 | V259 V318 T320 | V259-T302 HydrophobicContact CG1-CG2 3.99Å; T302-V318 PolarHBondContact N-O 3.27Å; T302-T320 HydrophobicContact CG2-CG2 4.04Å; T302-T320 WeakPolarHBondContact OG1-CB 3.43Å; T302-T320 WeakPolarHBondContact OG1-CG2 3.34Å; T302-T320 PolarHBondContact OG1-N 2.91Å; T302-T320 PolarHBondContact OG1-OG1 3.43Å |
| 303 | L | 97.3 | Very high | 96.3 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 13% | 0.131 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 138.2 | 177.5 | 179.5 | 67.3 | 0 | 0 | 0 | 109.1 | I262 R263 L266 V301 T317 V318 | I262-L303 HydrophobicContact CG2-CD2 4.45Å; R263-L303 HydrophobicContact CB-CD1 4.47Å; R263-L303 HydrophobicContact CB-CD2 4.13Å; R263-L303 HydrophobicContact CG-CD1 4.16Å; L266-L303 HydrophobicContact CD1-CD2 3.54Å; V301-L303 VanDerWaalsContact CG1-O 3.32Å; V301-L303 WeakPolarHBondContact CG1-O 3.44Å; L303-T317 CarbonylContact O-C 3.11Å; L303-T317 VanDerWaalsContact O-CA 3.25Å; L303-T317 WeakPolarHBondContact O-CA 3.3Å; L303-V318 HydrophobicContact CB-CB 3.95Å; L303-V318 HydrophobicContact CB-CG2 4.23Å; L303-V318 HydrophobicContact CD2-CG2 3.99Å; L303-V318 PolarHBondContact N-O 3.34Å; L303-V318 PolarHBondContact O-N 3.1Å |
| 304 | G | 97.4 | Very high | 96.4 | Very high | 27 Ų | 27 | 50.6 Ų | 50.6 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | trans | 74.1 | -137.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V301 E306 | V301-G304 WeakPolarHBondContact CG1-O 3.45Å; G304-E306 WeakPolarHBondContact CA-OE2 3.15Å | ||
| 305 | G | 95.9 | Very high | 96.4 | Very high | 24 Ų | 24 | 50.3 Ų | 50.3 | 25% | 0.247 | 32% | 0.32 | C | S | . | . | trans | 94.7 | -7.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T317 | G305-T317 PolarHBondContact N-OG1 3.23Å; G305-T317 VanDerWaalsContact N-OG1 3.08Å | ||
| 306 | E | 97.9 | Very high | 96.4 | Very high | 118 Ų | 118 | 50.5 Ų | 50.5 | 55% | 0.551 | 32% | 0.322 | S | S | * | . | trans | -67.4 | 146.2 | 173.1 | -55.3 | 81.7 | 178.4 | 0 | 0 | 111.1 | G304 A315 | G304-E306 WeakPolarHBondContact CA-OE2 3.15Å; E306-A315 HydrophobicContact CB-CB 4.09Å; E306-A315 VanDerWaalsContact O-CB 3.31Å; E306-A315 WeakPolarHBondContact O-CB 3.08Å; E306-A315 PolarHBondContact O-N 3.05Å; E306-A315 WeakPolarHBondContact OE2-CB 3.32Å | ||
| 307 | S | 98.2 | Very high | 96.6 | Very high | 53 Ų | 53 | 49.5 Ų | 49.5 | 37% | 0.371 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 159.1 | 178 | 63.4 | 0 | 0 | 0 | 0 | 112 | M293 Y313 | M293-S307 WeakPolarHBondContact CE-OG 3.36Å; S307-Y313 CarbonylContact C-O 3.45Å; S307-Y313 WeakPolarHBondContact CA-O 3.23Å; S307-Y313 WeakPolarHBondContact CB-O 3.26Å |
| 308 | D | 98.4 | Very high | 96.8 | Very high | 27 Ų | 27 | 42.6 Ų | 42.6 | 14% | 0.144 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 105.2 | 172.9 | -179.1 | -7.3 | 0 | 0 | 0 | 109.8 | K275 S310 Q311 C312 Y313 | K275-D308 VanDerWaalsContact CE-OD2 3.31Å; K275-D308 WeakPolarHBondContact CE-OD2 3.48Å; K275-D308 IonicContact NZ-OD2 2.67Å; K275-D308 PolarHBondContact NZ-OD2 3.21Å; D308-S310 VanDerWaalsContact CG-OG 3.31Å; D308-S310 PolarHBondContact O-N 2.78Å; D308-S310 WeakPolarHBondContact OD1-CB 3.45Å; D308-S310 PolarHBondContact OD1-N 2.7Å; D308-S310 PolarHBondContact OD1-OG 3.26Å; D308-S310 PolarHBondContact OD2-OG 2.95Å; D308-Q311 PolarHBondContact O-N 3.48Å; D308-C312 PolarHBondContact O-N 3.37Å; D308-C312 VanDerWaalsContact O-N 3.09Å; D308-Y313 HydrophobicContact CB-CD1 4.24Å; D308-Y313 PolarHBondContact N-O 3.09Å; D308-Y313 PolarHBondContact O-N 3.37Å |
| 309 | P | 97.8 | Very high | 97.3 | Very high | 72 Ų | 72 | 38.6 Ų | 38.6 | 47% | 0.468 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -64.9 | -27.5 | -179 | 25 | -32.9 | 0 | 0 | 0 | 113 | L286 F289 Q311 C312 | L286-P309 HydrophobicContact CD1-CB 4.12Å; F289-P309 HydrophobicContact CD1-CB 4.22Å; F289-P309 HydrophobicContact CE1-CB 3.63Å; F289-P309 HydrophobicContact CZ-CB 3.84Å; P309-Q311 PolarHBondContact O-N 3.22Å; P309-C312 PolarHBondContact O-N 3.31Å |
| 310 | S | 97.7 | Very high | 97.5 | Very high | 101 Ų | 101 | 38 Ų | 38 | 71% | 0.706 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -67.3 | -23.5 | -179.5 | 74.4 | 0 | 0 | 0 | 0 | 112.7 | D308 | D308-S310 VanDerWaalsContact CG-OG 3.31Å; D308-S310 PolarHBondContact O-N 2.78Å; D308-S310 WeakPolarHBondContact OD1-CB 3.45Å; D308-S310 PolarHBondContact OD1-N 2.7Å; D308-S310 PolarHBondContact OD1-OG 3.26Å; D308-S310 PolarHBondContact OD2-OG 2.95Å |
| 311 | Q | 96.4 | Very high | 97.2 | Very high | 92 Ų | 92 | 39.1 Ų | 39.1 | 43% | 0.43 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -112.5 | 2.1 | 177.5 | -60.8 | -170 | -16.6 | 0 | 0 | 112.8 | R282 D308 P309 Y313 | R282-Q311 WeakPolarHBondContact CD-O 3.47Å; R282-Q311 WeakPolarHBondContact CG-O 3.36Å; D308-Q311 PolarHBondContact O-N 3.48Å; P309-Q311 PolarHBondContact O-N 3.22Å; Q311-Y313 PolarHBondContact O-N 2.91Å |
| 312 | C | 98.4 | Very high | 96.8 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 15% | 0.149 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 38.2 | -168.5 | -65.3 | 0 | 0 | 0 | 0 | 112.7 | I283 D308 P309 | I283-C312 HydrophobicContact CB-CB 4.2Å; I283-C312 WeakPolarHBondContact CB-O 3.48Å; I283-C312 PolarHBondContact N-O 2.99Å; I283-C312 WeakPolarHBondContact O-CB 3.5Å; D308-C312 PolarHBondContact O-N 3.37Å; D308-C312 VanDerWaalsContact O-N 3.09Å; P309-C312 PolarHBondContact O-N 3.31Å |
| 313 | Y | 98.7 | Very high | 96.4 | Very high | 9 Ų | 9 | 37.1 Ų | 37.1 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 128.3 | -178.7 | 165.5 | -100.5 | 0 | 0 | 0 | 111.1 | K275 Y280 F289 S307 D308 Q311 A315 | K275-Y313 VanDerWaalsContact CA-CE2 3.41Å; K275-Y313 HydrophobicContact CB-CD1 4.31Å; K275-Y313 HydrophobicContact CB-CD2 4.22Å; K275-Y313 HydrophobicContact CB-CE1 3.86Å; K275-Y313 HydrophobicContact CB-CE2 3.75Å; K275-Y313 HydrophobicContact CB-CG 4.47Å; K275-Y313 HydrophobicContact CD-CD1 3.95Å; K275-Y313 HydrophobicContact CD-CE1 4.05Å; K275-Y313 HydrophobicContact CD-CG 4.41Å; K275-Y313 HydrophobicContact CG-CD1 3.85Å; K275-Y313 HydrophobicContact CG-CD2 4Å; K275-Y313 HydrophobicContact CG-CE1 3.91Å; K275-Y313 HydrophobicContact CG-CE2 4.05Å; K275-Y313 HydrophobicContact CG-CG 3.89Å; K275-Y313 PolarHBondContact N-OH 3.03Å; Y280-Y313 HydrophobicContact CD1-CD2 4.08Å; Y280-Y313 AromaticContact CD1-CE2 3.75Å; Y280-Y313 HydrophobicContact CD1-CE2 3.75Å; Y280-Y313 AromaticContact CE1-CD2 3.93Å; Y280-Y313 HydrophobicContact CE1-CD2 3.93Å; Y280-Y313 AromaticContact CE1-CE2 3.56Å; Y280-Y313 HydrophobicContact CE1-CE2 3.56Å; F289-Y313 WeakPolarHBondContact CE2-O 3.29Å; S307-Y313 CarbonylContact C-O 3.45Å; S307-Y313 WeakPolarHBondContact CA-O 3.23Å; S307-Y313 WeakPolarHBondContact CB-O 3.26Å; D308-Y313 HydrophobicContact CB-CD1 4.24Å; D308-Y313 PolarHBondContact N-O 3.09Å; D308-Y313 PolarHBondContact O-N 3.37Å; Q311-Y313 PolarHBondContact O-N 2.91Å; Y313-A315 HydrophobicContact CE1-CB 4.21Å; Y313-A315 WeakPolarHBondContact OH-CA 3.27Å; Y313-A315 VanDerWaalsContact OH-CB 3.32Å; Y313-A315 WeakPolarHBondContact OH-CB 3.41Å |
| 314 | I | 98.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 125.9 | 168.6 | -56.1 | 178.1 | 0 | 0 | 0 | 107.1 | Y280 I283 F289 V292 M293 P336 L337 | Y280-I314 VanDerWaalsContact CE1-O 3.28Å; Y280-I314 WeakPolarHBondContact CE1-O 3.4Å; Y280-I314 PolarHBondContact OH-O 2.99Å; I283-I314 HydrophobicContact CD1-CD1 4.26Å; I283-I314 HydrophobicContact CG1-CD1 3.81Å; I283-I314 HydrophobicContact CG1-CG1 4.06Å; F289-I314 HydrophobicContact CD2-CD1 3.95Å; F289-I314 HydrophobicContact CD2-CG1 3.68Å; F289-I314 HydrophobicContact CE2-CD1 4.23Å; F289-I314 HydrophobicContact CE2-CG1 3.61Å; V292-I314 HydrophobicContact CB-CD1 3.79Å; V292-I314 HydrophobicContact CG1-CD1 3.57Å; M293-I314 HydrophobicContact CG-CD1 3.84Å; M293-I314 HydrophobicContact CG-CG1 4.26Å; M293-I314 HydrophobicContact SD-CB 4.45Å; M293-I314 HydrophobicContact SD-CD1 3.76Å; M293-I314 HydrophobicContact SD-CG1 3.83Å; M293-I314 HydrophobicContact SD-CG2 3.86Å; I314-P336 HydrophobicContact CB-CG 3.73Å; I314-P336 HydrophobicContact CG2-CG 3.77Å; I314-P336 WeakPolarHBondContact O-CG 3.46Å; I314-L337 HydrophobicContact CG2-CD2 4.11Å |
| 315 | A | 98.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | trans | -62.8 | 151.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E306 Y313 T317 | E306-A315 HydrophobicContact CB-CB 4.09Å; E306-A315 VanDerWaalsContact O-CB 3.31Å; E306-A315 WeakPolarHBondContact O-CB 3.08Å; E306-A315 PolarHBondContact O-N 3.05Å; E306-A315 WeakPolarHBondContact OE2-CB 3.32Å; Y313-A315 HydrophobicContact CE1-CB 4.21Å; Y313-A315 WeakPolarHBondContact OH-CA 3.27Å; Y313-A315 VanDerWaalsContact OH-CB 3.32Å; Y313-A315 WeakPolarHBondContact OH-CB 3.41Å; A315-T317 PolarHBondContact O-N 3.44Å; A315-T317 PolarHBondContact O-OG1 2.85Å | ||
| 316 | P | 98.7 | Very high | 95.4 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 4% | 0.039 | 25% | 0.254 | C | S | . | . | trans | -53.9 | 112.9 | 168.4 | -24.3 | 34.3 | 0 | 0 | 0 | 110.5 | F235 L266 Y270 P274 Y280 | F235-P316 HydrophobicContact CD1-CB 3.67Å; F235-P316 HydrophobicContact CD1-CG 4.3Å; F235-P316 VanDerWaalsContact CE1-CA 3.45Å; F235-P316 HydrophobicContact CE1-CB 3.53Å; F235-P316 HydrophobicContact CE2-CB 4.39Å; F235-P316 HydrophobicContact CG-CB 4.17Å; F235-P316 HydrophobicContact CZ-CB 3.91Å; L266-P316 HydrophobicContact CD1-CB 3.71Å; L266-P316 HydrophobicContact CD2-CB 3.49Å; L266-P316 VanDerWaalsContact CD2-CB 3.49Å; L266-P316 HydrophobicContact CD2-CG 3.84Å; L266-P316 HydrophobicContact CG-CB 4.23Å; Y270-P316 HydrophobicContact CD2-CG 4.36Å; P274-P316 HydrophobicContact CB-CG 4.05Å; P274-P316 HydrophobicContact CG-CG 4.17Å; Y280-P316 HydrophobicContact CD2-CG 4.49Å; Y280-P316 HydrophobicContact CE2-CG 3.68Å; Y280-P316 WeakPolarHBondContact OH-CD 3.42Å | ||
| 317 | T | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 130.7 | -168.4 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | L296 V301 L303 G305 A315 V319 P336 L337 L338 | L296-T317 HydrophobicContact CD1-CG2 4.45Å; L296-T317 HydrophobicContact CD2-CG2 4.3Å; V301-T317 HydrophobicContact CG1-CG2 3.76Å; V301-T317 HydrophobicContact CG2-CG2 4.27Å; L303-T317 CarbonylContact O-C 3.11Å; L303-T317 VanDerWaalsContact O-CA 3.25Å; L303-T317 WeakPolarHBondContact O-CA 3.3Å; G305-T317 PolarHBondContact N-OG1 3.23Å; G305-T317 VanDerWaalsContact N-OG1 3.08Å; A315-T317 PolarHBondContact O-N 3.44Å; A315-T317 PolarHBondContact O-OG1 2.85Å; T317-V319 HydrophobicContact CG2-CG2 4.2Å; T317-P336 PolarHBondContact N-O 3.01Å; T317-L337 HydrophobicContact CG2-CD2 4.05Å; T317-L337 CarbonylContact O-C 3.49Å; T317-L337 WeakPolarHBondContact O-CA 3.3Å; T317-L338 PolarHBondContact O-N 3.26Å |
| 318 | V | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135 | 172.6 | -177.8 | 0 | 0 | 0 | 0 | 109 | V259 I262 T302 L303 L338 I340 | V259-V318 HydrophobicContact CG2-CG1 4.28Å; I262-V318 HydrophobicContact CG2-CG2 3.81Å; T302-V318 PolarHBondContact N-O 3.27Å; L303-V318 HydrophobicContact CB-CB 3.95Å; L303-V318 HydrophobicContact CB-CG2 4.23Å; L303-V318 HydrophobicContact CD2-CG2 3.99Å; L303-V318 PolarHBondContact N-O 3.34Å; L303-V318 PolarHBondContact O-N 3.1Å; V318-L338 WeakPolarHBondContact CA-O 3.47Å; V318-L338 HydrophobicContact CG2-CB 4.49Å; V318-I340 HydrophobicContact CG1-CD1 3.72Å; V318-I340 HydrophobicContact CG1-CG1 4.05Å |
| 319 | V | 98.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 120.3 | -179.1 | -169.6 | 0 | 0 | 0 | 0 | 107.9 | L296 C299 S300 T317 V322 L328 L338 P339 I340 | L296-V319 HydrophobicContact CD2-CG2 3.79Å; C299-V319 HydrophobicContact CB-CG1 3.8Å; S300-V319 WeakPolarHBondContact O-CG1 3.43Å; T317-V319 HydrophobicContact CG2-CG2 4.2Å; V319-V322 HydrophobicContact CB-CG2 3.85Å; V319-V322 HydrophobicContact CG1-CG2 3.45Å; V319-V322 VanDerWaalsContact CG1-CG2 3.45Å; V319-V322 WeakPolarHBondContact O-CG2 3.49Å; V319-L328 HydrophobicContact CB-CD2 4.11Å; V319-L328 HydrophobicContact CG1-CD2 4.17Å; V319-L328 HydrophobicContact CG2-CD2 4.04Å; V319-L338 PolarHBondContact N-O 3.16Å; V319-L338 VanDerWaalsContact N-O 3.12Å; V319-P339 CarbonylContact O-C 3.57Å; V319-P339 WeakPolarHBondContact O-CA 3.42Å; V319-I340 PolarHBondContact O-N 3.27Å |
| 320 | T | 95.8 | Very high | 95.1 | Very high | 16 Ų | 16 | 42.8 Ų | 42.8 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | trans | -98.7 | 167.5 | 175.1 | 56.5 | 0 | 0 | 0 | 0 | 111.5 | Q255 V259 T302 V322 I340 | Q255-T320 HydrophobicContact CG-CG2 4.19Å; V259-T320 HydrophobicContact CG2-CG2 3.58Å; T302-T320 HydrophobicContact CG2-CG2 4.04Å; T302-T320 WeakPolarHBondContact OG1-CB 3.43Å; T302-T320 WeakPolarHBondContact OG1-CG2 3.34Å; T302-T320 PolarHBondContact OG1-N 2.91Å; T302-T320 PolarHBondContact OG1-OG1 3.43Å; T320-V322 PolarHBondContact O-N 3.02Å; T320-V322 VanDerWaalsContact O-N 3.13Å; T320-I340 HydrophobicContact CG2-CD1 4.37Å | ||
| 321 | D | 84.7 | Confident | 94.9 | Very high | 117 Ų | 117 | 41.4 Ų | 41.4 | 63% | 0.626 | 21% | 0.209 | S | C | * | . | S | Bend | trans | 55.3 | 36.2 | 174.2 | -49.2 | -44.6 | 0 | 0 | 0 | 113.2 | Q255 S323 | Q255-D321 PolarHBondContact NE2-OD1 3.13Å; D321-S323 PolarHBondContact O-N 2.88Å |
| 322 | V | 88.8 | Confident | 95 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | trans | -76.7 | 117.9 | -175.3 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | V319 T320 T326 L328 M329 P339 V341 | V319-V322 HydrophobicContact CB-CG2 3.85Å; V319-V322 HydrophobicContact CG1-CG2 3.45Å; V319-V322 VanDerWaalsContact CG1-CG2 3.45Å; V319-V322 WeakPolarHBondContact O-CG2 3.49Å; T320-V322 PolarHBondContact O-N 3.02Å; T320-V322 VanDerWaalsContact O-N 3.13Å; V322-T326 HydrophobicContact CG1-CG2 4.49Å; V322-T326 WeakPolarHBondContact CG1-OG1 3.39Å; V322-L328 HydrophobicContact CG1-CD2 4.18Å; V322-L328 HydrophobicContact CG2-CD2 4.4Å; V322-M329 HydrophobicContact CG1-CG 3.6Å; V322-P339 HydrophobicContact CB-CB 4.28Å; V322-P339 HydrophobicContact CG1-CB 4.31Å; V322-P339 HydrophobicContact CG2-CB 3.8Å; V322-V341 HydrophobicContact CB-CG2 4.35Å | ||
| 323 | S | 88.4 | Confident | 95 | Very high | 55 Ų | 55 | 38.4 Ų | 38.4 | 39% | 0.385 | 19% | 0.193 | S | C | . | . | trans | -61.4 | 133.8 | 170 | 167.5 | 0 | 0 | 0 | 0 | 110.1 | D321 H325 T326 | D321-S323 PolarHBondContact O-N 2.88Å; S323-H325 PolarHBondContact O-N 3.03Å; S323-H325 PolarHBondContact OG-N 3.43Å; S323-T326 WeakPolarHBondContact O-CG2 3.49Å; S323-T326 PolarHBondContact O-N 3.28Å; S323-T326 VanDerWaalsContact O-N 3.12Å; S323-T326 PolarHBondContact O-OG1 3.42Å | ||
| 324 | P | 87.6 | Confident | 95 | Very high | 47 Ų | 47 | 39 Ų | 39 | 31% | 0.305 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -16.8 | 177.6 | -25.9 | 35.7 | 0 | 0 | 0 | 114.4 | M329 Q330 F352 | P324-M329 WeakPolarHBondContact O-CB 3.19Å; P324-Q330 PolarHBondContact O-NE2 2.83Å; P324-F352 HydrophobicContact CB-CE2 3.86Å; P324-F352 HydrophobicContact CB-CZ 4.23Å; P324-F352 HydrophobicContact CG-CE2 3.77Å; P324-F352 HydrophobicContact CG-CZ 4.44Å |
| 325 | H | 89.2 | Confident | 95 | Very high | 160 Ų | 160 | 39 Ų | 39 | 74% | 0.741 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -5.8 | -178.1 | -57.9 | -64.3 | 0 | 0 | 0 | 114.1 | S323 | S323-H325 PolarHBondContact O-N 3.03Å; S323-H325 PolarHBondContact OG-N 3.43Å |
| 326 | T | 94 | Very high | 95 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 19% | 0.19 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -67.8 | 154 | 175.3 | 61.3 | 0 | 0 | 0 | 0 | 111.1 | V322 S323 L328 M329 Q330 | V322-T326 HydrophobicContact CG1-CG2 4.49Å; V322-T326 WeakPolarHBondContact CG1-OG1 3.39Å; S323-T326 WeakPolarHBondContact O-CG2 3.49Å; S323-T326 PolarHBondContact O-N 3.28Å; S323-T326 VanDerWaalsContact O-N 3.12Å; S323-T326 PolarHBondContact O-OG1 3.42Å; T326-L328 PolarHBondContact O-N 3.12Å; T326-M329 PolarHBondContact O-N 3.48Å; T326-Q330 WeakPolarHBondContact O-CG 3.17Å; T326-Q330 PolarHBondContact O-N 3.27Å |
| 327 | R | 95.6 | Very high | 95 | Very high | 114 Ų | 114 | 38.5 Ų | 38.5 | 43% | 0.43 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -54.3 | -37.9 | 175.3 | -68.6 | -176.6 | 61.5 | -152.9 | -5.3 | 112.3 | L295 M329 Q330 E331 | L295-R327 HydrophobicContact CD2-CB 4.17Å; R327-M329 PolarHBondContact O-N 3.13Å; R327-M329 VanDerWaalsContact O-N 3.11Å; R327-Q330 PolarHBondContact O-N 2.88Å; R327-E331 IonicContact CZ-OE1 3.23Å; R327-E331 IonicContact NE-OE1 3.75Å; R327-E331 PolarHBondContact NE-OE1 3.11Å; R327-E331 IonicContact NH2-OE1 3.34Å; R327-E331 PolarHBondContact NH2-OE1 3.46Å; R327-E331 VanDerWaalsContact NH2-OE1 3.15Å; R327-E331 PolarHBondContact O-N 2.89Å; R327-E331 VanDerWaalsContact O-N 3.14Å |
| 328 | L | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -52.2 | -31.8 | 174.3 | -172.9 | 60.1 | 0 | 0 | 0 | 113.3 | K212 L295 V319 V322 T326 I333 L337 P339 | K212-L328 PolarHBondContact NZ-O 3Å; L295-L328 HydrophobicContact CB-CB 4.49Å; L295-L328 HydrophobicContact CB-CD1 3.95Å; L295-L328 HydrophobicContact CD1-CD1 4.43Å; V319-L328 HydrophobicContact CB-CD2 4.11Å; V319-L328 HydrophobicContact CG1-CD2 4.17Å; V319-L328 HydrophobicContact CG2-CD2 4.04Å; V322-L328 HydrophobicContact CG1-CD2 4.18Å; V322-L328 HydrophobicContact CG2-CD2 4.4Å; T326-L328 PolarHBondContact O-N 3.12Å; L328-I333 HydrophobicContact CD1-CD1 3.79Å; L328-I333 HydrophobicContact CD1-CG1 4.05Å; L328-L337 HydrophobicContact CD1-CB 4.14Å; L328-L337 HydrophobicContact CD1-CD1 3.98Å; L328-P339 HydrophobicContact CD2-CB 3.86Å; L328-P339 HydrophobicContact CD2-CG 4.28Å; L328-P339 HydrophobicContact CG-CB 4.17Å; L328-P339 HydrophobicContact CG-CG 4.11Å |
| 329 | M | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -101.4 | -2.9 | 179.7 | -71.7 | -55.1 | -60.1 | 0 | 0 | 115 | K212 Y247 V322 P324 T326 R327 P339 V341 F352 K356 | K212-M329 WeakPolarHBondContact CD-O 3.1Å; K212-M329 WeakPolarHBondContact CE-O 3.27Å; Y247-M329 HydrophobicContact CD1-CE 4.08Å; Y247-M329 HydrophobicContact CD2-CE 3.77Å; Y247-M329 HydrophobicContact CE1-CE 4.43Å; Y247-M329 HydrophobicContact CE2-CE 4.11Å; Y247-M329 HydrophobicContact CG-CE 3.72Å; Y247-M329 HydrophobicContact CG-SD 4.35Å; V322-M329 HydrophobicContact CG1-CG 3.6Å; P324-M329 WeakPolarHBondContact O-CB 3.19Å; T326-M329 PolarHBondContact O-N 3.48Å; R327-M329 PolarHBondContact O-N 3.13Å; R327-M329 VanDerWaalsContact O-N 3.11Å; M329-P339 HydrophobicContact SD-CB 3.91Å; M329-P339 HydrophobicContact SD-CG 3.68Å; M329-V341 HydrophobicContact CE-CG2 3.92Å; M329-V341 HydrophobicContact CG-CG2 4.39Å; M329-V341 HydrophobicContact SD-CG2 4.01Å; M329-F352 HydrophobicContact CE-CE1 4.04Å; M329-F352 HydrophobicContact CE-CZ 3.84Å; M329-K356 PolarHBondContact O-NZ 2.9Å |
| 330 | Q | 95.5 | Very high | 95 | Very high | 114 Ų | 114 | 38.5 Ų | 38.5 | 53% | 0.533 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -101.9 | -29.7 | 180 | -64.5 | -59.6 | -50.7 | 0 | 0 | 113.2 | P324 T326 R327 | P324-Q330 PolarHBondContact O-NE2 2.83Å; T326-Q330 WeakPolarHBondContact O-CG 3.17Å; T326-Q330 PolarHBondContact O-N 3.27Å; R327-Q330 PolarHBondContact O-N 2.88Å |
| 331 | E | 94.4 | Very high | 95.1 | Very high | 71 Ų | 71 | 38.1 Ų | 38.1 | 33% | 0.332 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -109.7 | 154.1 | -179.4 | -58.3 | 179.8 | -127.6 | 0 | 0 | 111 | K212 L295 R327 I333 | K212-E331 WeakPolarHBondContact CD-O 3.23Å; K212-E331 PolarHBondContact NZ-O 2.89Å; L295-E331 HydrophobicContact CD2-CB 4.44Å; R327-E331 IonicContact CZ-OE1 3.23Å; R327-E331 IonicContact NE-OE1 3.75Å; R327-E331 PolarHBondContact NE-OE1 3.11Å; R327-E331 IonicContact NH2-OE1 3.34Å; R327-E331 PolarHBondContact NH2-OE1 3.46Å; R327-E331 VanDerWaalsContact NH2-OE1 3.15Å; R327-E331 PolarHBondContact O-N 2.89Å; R327-E331 VanDerWaalsContact O-N 3.14Å; E331-I333 PolarHBondContact O-N 3.13Å |
| 332 | E | 97.9 | Very high | 95.6 | Very high | 51 Ų | 51 | 35.1 Ų | 35.1 | 24% | 0.238 | 18% | 0.176 | C | C | . | . | trans | -64.2 | 128.2 | 167.5 | -177.5 | 177.8 | -153.1 | 0 | 0 | 109.7 | G210 G211 R291 F334 | G210-E332 WeakPolarHBondContact CA-OE1 3.46Å; G211-E332 VanDerWaalsContact N-CD 3.34Å; G211-E332 PolarHBondContact N-OE1 2.77Å; G211-E332 VanDerWaalsContact N-OE1 3.11Å; R291-E332 PolarHBondContact NH1-O 3.31Å; E332-F334 HydrophobicContact CG-CB 4.44Å; E332-F334 HydrophobicContact CG-CD2 4.36Å | ||
| 333 | I | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -71.3 | -52.5 | -170.9 | -61.6 | 176.7 | 0 | 0 | 0 | 109.7 | D246 R291 L295 L328 E331 G335 L337 P339 | D246-I333 WeakPolarHBondContact O-CD1 3.41Å; D246-I333 WeakPolarHBondContact OD2-CB 3.4Å; D246-I333 WeakPolarHBondContact OD2-CG1 3.38Å; D246-I333 PolarHBondContact OD2-N 3.26Å; R291-I333 PolarHBondContact NH1-O 2.86Å; R291-I333 VanDerWaalsContact NH1-O 3.16Å; R291-I333 PolarHBondContact NH2-O 2.91Å; L295-I333 HydrophobicContact CD1-CB 4.48Å; L295-I333 HydrophobicContact CD1-CG1 4.47Å; L295-I333 HydrophobicContact CD1-CG2 4.3Å; L328-I333 HydrophobicContact CD1-CD1 3.79Å; L328-I333 HydrophobicContact CD1-CG1 4.05Å; E331-I333 PolarHBondContact O-N 3.13Å; I333-G335 VanDerWaalsContact C-N 3.27Å; I333-G335 PolarHBondContact O-N 3.43Å; I333-L337 VanDerWaalsContact CD1-O 3.25Å; I333-L337 WeakPolarHBondContact CD1-O 3.42Å; I333-L337 HydrophobicContact CG2-CB 3.8Å; I333-L337 HydrophobicContact CG2-CD1 4.33Å; I333-L337 HydrophobicContact CG2-CG 4.12Å; I333-P339 VanDerWaalsContact CD1-CD 3.4Å; I333-P339 HydrophobicContact CD1-CG 3.75Å | ||
| 334 | F | 98.6 | Very high | 96.4 | Very high | 22 Ų | 22 | 34.9 Ų | 34.9 | 10% | 0.096 | 18% | 0.181 | C | C | . | . | trans | 49 | 50.1 | -179.2 | -140.4 | -100.3 | 0 | 0 | 0 | 112.4 | W112 N113 G239 Q240 E332 | W112-F334 AromaticContact CH2-CD1 3.54Å; W112-F334 HydrophobicContact CH2-CD1 3.54Å; W112-F334 AromaticContact CH2-CE1 3.29Å; W112-F334 HydrophobicContact CH2-CE1 3.29Å; W112-F334 AromaticContact CZ2-CD1 3.73Å; W112-F334 HydrophobicContact CZ2-CD1 3.73Å; W112-F334 AromaticContact CZ2-CE1 3.4Å; W112-F334 HydrophobicContact CZ2-CE1 3.4Å; W112-F334 VanDerWaalsContact CZ2-CE1 3.4Å; W112-F334 HydrophobicContact CZ3-CE1 4.02Å; N113-F334 HydrophobicContact CB-CE1 3.95Å; N113-F334 HydrophobicContact CB-CZ 3.95Å; N113-F334 WeakPolarHBondContact ND2-CZ 3.33Å; G239-F334 CarbonylContact O-C 3.57Å; G239-F334 WeakPolarHBondContact O-CA 3.29Å; Q240-F334 HydrophobicContact CB-CD1 3.82Å; Q240-F334 HydrophobicContact CB-CE1 3.72Å; Q240-F334 HydrophobicContact CG-CD1 4.2Å; E332-F334 HydrophobicContact CG-CB 4.44Å; E332-F334 HydrophobicContact CG-CD2 4.36Å | ||
| 335 | G | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -176.7 | 173.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K234 V238 G239 I333 L337 | K234-G335 WeakPolarHBondContact CE-O 3.48Å; K234-G335 PolarHBondContact NZ-O 3.05Å; K234-G335 VanDerWaalsContact NZ-O 3.15Å; V238-G335 CarbonylContact O-C 3.48Å; V238-G335 WeakPolarHBondContact O-CA 3.22Å; G239-G335 PolarHBondContact O-N 2.92Å; G239-G335 VanDerWaalsContact O-N 3.15Å; I333-G335 VanDerWaalsContact C-N 3.27Å; I333-G335 PolarHBondContact O-N 3.43Å; G335-L337 PolarHBondContact O-N 2.93Å |
| 336 | P | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -85.8 | 43 | -168.7 | 35.9 | -36.9 | 0 | 0 | 0 | 112.4 | F235 V238 Y280 I314 T317 | F235-P336 HydrophobicContact CD1-CB 3.83Å; F235-P336 HydrophobicContact CE1-CB 4.06Å; F235-P336 WeakPolarHBondContact CE1-O 3.36Å; V238-P336 HydrophobicContact CG1-CB 4.33Å; V238-P336 HydrophobicContact CG1-CG 4.26Å; V238-P336 WeakPolarHBondContact O-CD 3.47Å; V238-P336 VanDerWaalsContact O-N 3.08Å; Y280-P336 WeakPolarHBondContact OH-CB 3.39Å; I314-P336 HydrophobicContact CB-CG 3.73Å; I314-P336 HydrophobicContact CG2-CG 3.77Å; I314-P336 WeakPolarHBondContact O-CG 3.46Å; T317-P336 PolarHBondContact N-O 3.01Å |
| 337 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 121 | 176 | -43.7 | -179.1 | 0 | 0 | 0 | 109.6 | K234 V292 L295 L296 I314 T317 L328 I333 G335 P339 | K234-L337 WeakPolarHBondContact CE-O 3.3Å; K234-L337 PolarHBondContact NZ-O 2.96Å; V292-L337 HydrophobicContact CG1-CD1 3.66Å; V292-L337 HydrophobicContact CG1-CD2 4.28Å; V292-L337 HydrophobicContact CG1-CG 3.77Å; V292-L337 WeakPolarHBondContact O-CD1 3.45Å; L295-L337 HydrophobicContact CB-CD1 4.07Å; L295-L337 HydrophobicContact CD1-CD1 4.48Å; L296-L337 HydrophobicContact CD1-CD1 4.47Å; L296-L337 HydrophobicContact CD1-CD2 3.99Å; L296-L337 HydrophobicContact CD2-CD1 3.83Å; L296-L337 HydrophobicContact CD2-CD2 4.09Å; L296-L337 HydrophobicContact CD2-CG 4.43Å; L296-L337 HydrophobicContact CG-CD1 3.84Å; L296-L337 HydrophobicContact CG-CD2 4.19Å; I314-L337 HydrophobicContact CG2-CD2 4.11Å; T317-L337 HydrophobicContact CG2-CD2 4.05Å; T317-L337 CarbonylContact O-C 3.49Å; T317-L337 WeakPolarHBondContact O-CA 3.3Å; L328-L337 HydrophobicContact CD1-CB 4.14Å; L328-L337 HydrophobicContact CD1-CD1 3.98Å; I333-L337 VanDerWaalsContact CD1-O 3.25Å; I333-L337 WeakPolarHBondContact CD1-O 3.42Å; I333-L337 HydrophobicContact CG2-CB 3.8Å; I333-L337 HydrophobicContact CG2-CD1 4.33Å; I333-L337 HydrophobicContact CG2-CG 4.12Å; G335-L337 PolarHBondContact O-N 2.93Å; L337-P339 WeakPolarHBondContact O-CD 3.43Å |
| 338 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 93.1 | -177.9 | -173.5 | 57.8 | 0 | 0 | 0 | 110.7 | I230 K234 F235 I248 I262 T317 V318 V319 | I230-L338 HydrophobicContact CG2-CD2 4.22Å; K234-L338 HydrophobicContact CB-CD2 4.43Å; K234-L338 HydrophobicContact CD-CB 4.35Å; K234-L338 HydrophobicContact CD-CD1 4.07Å; K234-L338 HydrophobicContact CG-CB 4.11Å; K234-L338 HydrophobicContact CG-CD1 4.24Å; K234-L338 HydrophobicContact CG-CD2 4.15Å; K234-L338 HydrophobicContact CG-CG 4.41Å; F235-L338 HydrophobicContact CZ-CB 4.37Å; I248-L338 HydrophobicContact CD1-CD1 4.4Å; I248-L338 HydrophobicContact CD1-CD2 3.91Å; I248-L338 HydrophobicContact CD1-CG 4.23Å; I248-L338 HydrophobicContact CG1-CD1 4.19Å; I262-L338 HydrophobicContact CD1-CD2 3.87Å; T317-L338 PolarHBondContact O-N 3.26Å; V318-L338 WeakPolarHBondContact CA-O 3.47Å; V318-L338 HydrophobicContact CG2-CB 4.49Å; V319-L338 PolarHBondContact N-O 3.16Å; V319-L338 VanDerWaalsContact N-O 3.12Å |
| 339 | P | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 140.3 | 171.7 | 27.5 | -33.2 | 0 | 0 | 0 | 111.6 | D246 Y247 I248 V319 V322 L328 M329 I333 L337 | D246-P339 WeakPolarHBondContact O-CD 3.27Å; Y247-P339 WeakPolarHBondContact CA-O 3.49Å; I248-P339 PolarHBondContact N-O 3.45Å; V319-P339 CarbonylContact O-C 3.57Å; V319-P339 WeakPolarHBondContact O-CA 3.42Å; V322-P339 HydrophobicContact CB-CB 4.28Å; V322-P339 HydrophobicContact CG1-CB 4.31Å; V322-P339 HydrophobicContact CG2-CB 3.8Å; L328-P339 HydrophobicContact CD2-CB 3.86Å; L328-P339 HydrophobicContact CD2-CG 4.28Å; L328-P339 HydrophobicContact CG-CB 4.17Å; L328-P339 HydrophobicContact CG-CG 4.11Å; M329-P339 HydrophobicContact SD-CB 3.91Å; M329-P339 HydrophobicContact SD-CG 3.68Å; I333-P339 VanDerWaalsContact CD1-CD 3.4Å; I333-P339 HydrophobicContact CD1-CG 3.75Å; L337-P339 WeakPolarHBondContact O-CD 3.43Å |
| 340 | I | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 116.4 | 171.4 | -52.7 | -177.9 | 0 | 0 | 0 | 108.4 | I248 Q255 V258 V259 V318 V319 T320 | I248-I340 HydrophobicContact CB-CG1 4.22Å; I248-I340 HydrophobicContact CB-CG2 4.28Å; I248-I340 HydrophobicContact CD1-CD1 4.47Å; I248-I340 HydrophobicContact CD1-CG1 4.28Å; I248-I340 HydrophobicContact CG2-CG2 4.07Å; Q255-I340 HydrophobicContact CG-CG2 3.98Å; V258-I340 HydrophobicContact CG1-CD1 3.96Å; V259-I340 HydrophobicContact CG2-CD1 3.72Å; V318-I340 HydrophobicContact CG1-CD1 3.72Å; V318-I340 HydrophobicContact CG1-CG1 4.05Å; V319-I340 PolarHBondContact O-N 3.27Å; T320-I340 HydrophobicContact CG2-CD1 4.37Å |
| 341 | V | 97.1 | Very high | 98 | Very high | 9 Ų | 9 | 27.8 Ų | 27.8 | 6% | 0.055 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 127.8 | 177.3 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | I248 L249 C250 V322 M329 F352 | I248-V341 PolarHBondContact O-N 3Å; L249-V341 WeakPolarHBondContact CA-O 3.37Å; L249-V341 HydrophobicContact CD2-CB 3.93Å; L249-V341 HydrophobicContact CD2-CG1 4.08Å; C250-V341 PolarHBondContact N-O 3.49Å; V322-V341 HydrophobicContact CB-CG2 4.35Å; M329-V341 HydrophobicContact CE-CG2 3.92Å; M329-V341 HydrophobicContact CG-CG2 4.39Å; M329-V341 HydrophobicContact SD-CG2 4.01Å; V341-F352 HydrophobicContact CG1-CE2 4.12Å; V341-F352 HydrophobicContact CG1-CZ 4.3Å |
| 342 | T | 96.8 | Very high | 98.2 | Very high | 53 Ų | 53 | 26.4 Ų | 26.4 | 33% | 0.325 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 142.3 | 179.3 | 53.8 | 0 | 0 | 0 | 0 | 111.6 | C250 P252 Q255 | C250-T342 CarbonylContact O-C 3.39Å; C250-T342 VanDerWaalsContact O-CA 3.22Å; C250-T342 WeakPolarHBondContact O-CA 3.49Å; P252-T342 HydrophobicContact CB-CG2 4.34Å; P252-T342 HydrophobicContact CG-CG2 4.3Å; Q255-T342 HydrophobicContact CB-CG2 4.25Å; Q255-T342 HydrophobicContact CG-CG2 4.21Å |
| 343 | V | 97.2 | Very high | 98.2 | Very high | 14 Ų | 14 | 24.3 Ų | 24.3 | 9% | 0.085 | 13% | 0.131 | C | C | . | . | trans | -135.1 | 151.6 | 178.5 | -70.2 | 0 | 0 | 0 | 0 | 109.7 | Y216 L249 C250 E251 P252 D348 A349 | Y216-V343 HydrophobicContact CE2-CG2 4.23Å; L249-V343 HydrophobicContact CB-CG2 4.26Å; L249-V343 HydrophobicContact CD2-CG1 3.81Å; C250-V343 PolarHBondContact O-N 3.17Å; E251-V343 WeakPolarHBondContact CA-O 3.4Å; P252-V343 WeakPolarHBondContact CD-O 3.37Å; V343-D348 HydrophobicContact CB-CB 3.9Å; V343-D348 HydrophobicContact CG1-CB 4.37Å; V343-A349 HydrophobicContact CG2-CB 4.16Å | ||
| 344 | G | 97.1 | Very high | 98.2 | Very high | 46 Ų | 46 | 28.5 Ų | 28.5 | 47% | 0.474 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -70.5 | -39.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D348 | G344-D348 VanDerWaalsContact CA-OD2 3.27Å; G344-D348 WeakPolarHBondContact CA-OD2 3.45Å; G344-D348 PolarHBondContact N-OD2 3.38Å |
| 345 | D | 97.1 | Very high | 98.2 | Very high | 74 Ų | 74 | 30.7 Ų | 30.7 | 40% | 0.396 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -158.2 | -176.1 | 179.9 | 63.4 | 31.7 | 0 | 0 | 0 | 112.5 | G347 D348 A349 | D345-G347 PolarHBondContact O-N 3.31Å; D345-G347 WeakPolarHBondContact OD1-CA 3.36Å; D345-G347 PolarHBondContact OD1-N 2.93Å; D345-D348 PolarHBondContact O-N 2.95Å; D345-D348 PolarHBondContact OD1-N 2.91Å; D345-A349 PolarHBondContact O-N 3.07Å |
| 346 | V | 98.1 | Very high | 98.1 | Very high | 17 Ų | 17 | 33.4 Ų | 33.4 | 10% | 0.103 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.1 | -32.5 | 174.7 | 66.6 | 0 | 0 | 0 | 0 | 112.9 | Y216 A349 I350 V371 M375 | Y216-V346 HydrophobicContact CE1-CB 4.37Å; Y216-V346 HydrophobicContact CE1-CG2 4.23Å; Y216-V346 PolarHBondContact OH-N 2.99Å; V346-A349 WeakPolarHBondContact O-CB 3.46Å; V346-A349 PolarHBondContact O-N 2.88Å; V346-I350 HydrophobicContact CG2-CD1 4.07Å; V346-I350 WeakPolarHBondContact O-CD1 3.36Å; V346-I350 VanDerWaalsContact O-CG1 3.26Å; V346-I350 WeakPolarHBondContact O-CG1 3.26Å; V346-I350 PolarHBondContact O-N 3.37Å; V346-V371 HydrophobicContact CB-CG1 4.47Å; V346-V371 HydrophobicContact CG2-CG1 3.89Å; V346-M375 HydrophobicContact CG2-CE 3.85Å |
| 347 | G | 98.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.3 | -40.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D345 I350 R351 | D345-G347 PolarHBondContact O-N 3.31Å; D345-G347 WeakPolarHBondContact OD1-CA 3.36Å; D345-G347 PolarHBondContact OD1-N 2.93Å; G347-I350 PolarHBondContact O-N 2.86Å; G347-R351 WeakPolarHBondContact O-CG 3.2Å; G347-R351 PolarHBondContact O-N 3.13Å; G347-R351 PolarHBondContact O-NH1 3.17Å |
| 348 | D | 98.3 | Very high | 98.1 | Very high | 57 Ų | 57 | 43.7 Ų | 43.7 | 31% | 0.305 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.4 | -43.5 | 170 | -79.2 | -30.4 | 0 | 0 | 0 | 111.5 | V343 G344 D345 I350 R351 F352 | V343-D348 HydrophobicContact CB-CB 3.9Å; V343-D348 HydrophobicContact CG1-CB 4.37Å; G344-D348 VanDerWaalsContact CA-OD2 3.27Å; G344-D348 WeakPolarHBondContact CA-OD2 3.45Å; G344-D348 PolarHBondContact N-OD2 3.38Å; D345-D348 PolarHBondContact O-N 2.95Å; D345-D348 PolarHBondContact OD1-N 2.91Å; D348-I350 PolarHBondContact O-N 3.23Å; D348-R351 PolarHBondContact O-N 2.99Å; D348-R351 IonicContact OD1-CZ 2.85Å; D348-R351 IonicContact OD1-NE 2.86Å; D348-R351 IonicContact OD1-NH2 3.67Å; D348-R351 PolarHBondContact OD1-NH2 3.31Å; D348-F352 WeakPolarHBondContact O-CB 3.37Å; D348-F352 PolarHBondContact O-N 3.35Å |
| 349 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.3 | -46.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y216 L249 V343 D345 V346 R351 F352 I353 M375 | Y216-A349 HydrophobicContact CD2-CB 3.47Å; Y216-A349 VanDerWaalsContact CD2-CB 3.47Å; Y216-A349 HydrophobicContact CE2-CB 3.63Å; Y216-A349 HydrophobicContact CG-CB 4.31Å; L249-A349 HydrophobicContact CD1-CB 4.17Å; V343-A349 HydrophobicContact CG2-CB 4.16Å; D345-A349 PolarHBondContact O-N 3.07Å; V346-A349 WeakPolarHBondContact O-CB 3.46Å; V346-A349 PolarHBondContact O-N 2.88Å; A349-R351 PolarHBondContact O-N 3.01Å; A349-F352 WeakPolarHBondContact O-CB 3.46Å; A349-F352 PolarHBondContact O-N 2.89Å; A349-I353 VanDerWaalsContact O-CG1 3.27Å; A349-I353 WeakPolarHBondContact O-CG1 3.43Å; A349-I353 PolarHBondContact O-N 2.86Å; A349-M375 HydrophobicContact CB-CE 4.08Å |
| 350 | I | 98.9 | Very high | 98.1 | Very high | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 176.8 | -72 | 163.5 | 0 | 0 | 0 | 110.7 | V346 G347 D348 F352 I353 N354 R374 M375 E378 T379 | V346-I350 HydrophobicContact CG2-CD1 4.07Å; V346-I350 WeakPolarHBondContact O-CD1 3.36Å; V346-I350 VanDerWaalsContact O-CG1 3.26Å; V346-I350 WeakPolarHBondContact O-CG1 3.26Å; V346-I350 PolarHBondContact O-N 3.37Å; G347-I350 PolarHBondContact O-N 2.86Å; D348-I350 PolarHBondContact O-N 3.23Å; I350-F352 VanDerWaalsContact C-N 3.32Å; I350-F352 PolarHBondContact O-N 2.66Å; I350-I353 PolarHBondContact O-N 3.08Å; I350-N354 WeakPolarHBondContact O-CB 3.27Å; I350-N354 PolarHBondContact O-N 2.91Å; I350-N354 PolarHBondContact O-ND2 3.39Å; I350-R374 HydrophobicContact CD1-CB 4.35Å; I350-M375 HydrophobicContact CD1-SD 4.43Å; I350-M375 HydrophobicContact CG1-CE 4.2Å; I350-M375 HydrophobicContact CG1-SD 3.55Å; I350-M375 VanDerWaalsContact CG1-SD 3.55Å; I350-E378 HydrophobicContact CD1-CB 4.15Å; I350-E378 HydrophobicContact CG2-CB 3.8Å; I350-T379 HydrophobicContact CB-CG2 4.49Å; I350-T379 HydrophobicContact CG1-CG2 4.22Å; I350-T379 HydrophobicContact CG2-CG2 4.17Å |
| 351 | R | 98.8 | Very high | 98.1 | Very high | 156 Ų | 156 | 44 Ų | 44 | 59% | 0.589 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -60.3 | -42 | 176 | -76.7 | -173.5 | -70.5 | -85.7 | 8.6 | 111.9 | G347 D348 A349 N354 G355 | G347-R351 WeakPolarHBondContact O-CG 3.2Å; G347-R351 PolarHBondContact O-N 3.13Å; G347-R351 PolarHBondContact O-NH1 3.17Å; D348-R351 PolarHBondContact O-N 2.99Å; D348-R351 IonicContact OD1-CZ 2.85Å; D348-R351 IonicContact OD1-NE 2.86Å; D348-R351 IonicContact OD1-NH2 3.67Å; D348-R351 PolarHBondContact OD1-NH2 3.31Å; A349-R351 PolarHBondContact O-N 3.01Å; R351-N354 PolarHBondContact O-N 3.17Å; R351-G355 PolarHBondContact O-N 2.94Å |
| 352 | F | 98.4 | Very high | 98.2 | Very high | 41 Ų | 41 | 43.7 Ų | 43.7 | 18% | 0.18 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.9 | -47.2 | 178.4 | -172.5 | -84.4 | 0 | 0 | 0 | 111.9 | Y247 L249 P324 M329 V341 D348 A349 I350 G355 K356 | Y247-F352 HydrophobicContact CD2-CE1 4.39Å; Y247-F352 AromaticContact CE2-CD1 3.97Å; Y247-F352 HydrophobicContact CE2-CD1 3.97Å; Y247-F352 AromaticContact CE2-CE1 3.5Å; Y247-F352 HydrophobicContact CE2-CE1 3.5Å; Y247-F352 AromaticContact CZ-CE1 3.83Å; L249-F352 HydrophobicContact CD1-CD1 3.98Å; L249-F352 HydrophobicContact CD2-CD1 3.8Å; L249-F352 HydrophobicContact CD2-CE1 4.04Å; L249-F352 HydrophobicContact CD2-CG 4.09Å; L249-F352 HydrophobicContact CG-CD1 4.47Å; P324-F352 HydrophobicContact CB-CE2 3.86Å; P324-F352 HydrophobicContact CB-CZ 4.23Å; P324-F352 HydrophobicContact CG-CE2 3.77Å; P324-F352 HydrophobicContact CG-CZ 4.44Å; M329-F352 HydrophobicContact CE-CE1 4.04Å; M329-F352 HydrophobicContact CE-CZ 3.84Å; V341-F352 HydrophobicContact CG1-CE2 4.12Å; V341-F352 HydrophobicContact CG1-CZ 4.3Å; D348-F352 WeakPolarHBondContact O-CB 3.37Å; D348-F352 PolarHBondContact O-N 3.35Å; A349-F352 WeakPolarHBondContact O-CB 3.46Å; A349-F352 PolarHBondContact O-N 2.89Å; I350-F352 VanDerWaalsContact C-N 3.32Å; I350-F352 PolarHBondContact O-N 2.66Å; F352-G355 PolarHBondContact O-N 3.44Å; F352-K356 HydrophobicContact CE1-CD 4.02Å; F352-K356 VanDerWaalsContact CZ-CE 3.47Å |
| 353 | I | 98.7 | Very high | 98.3 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63 | -48 | 178.9 | -67.9 | 163.8 | 0 | 0 | 0 | 110.2 | P214 L249 A349 I350 G355 K356 L362 M375 T379 | P214-I353 HydrophobicContact CB-CD1 4.02Å; P214-I353 HydrophobicContact CB-CG1 3.91Å; P214-I353 HydrophobicContact CG-CD1 4.03Å; P214-I353 HydrophobicContact CG-CG1 3.98Å; P214-I353 HydrophobicContact CG-CG2 4.3Å; L249-I353 HydrophobicContact CD1-CD1 4.05Å; L249-I353 HydrophobicContact CD1-CG1 3.85Å; A349-I353 VanDerWaalsContact O-CG1 3.27Å; A349-I353 WeakPolarHBondContact O-CG1 3.43Å; A349-I353 PolarHBondContact O-N 2.86Å; I350-I353 PolarHBondContact O-N 3.08Å; I353-G355 PolarHBondContact O-N 2.82Å; I353-K356 PolarHBondContact O-N 3.35Å; I353-K356 VanDerWaalsContact O-N 3.1Å; I353-L362 HydrophobicContact CD1-CD1 4.02Å; I353-M375 HydrophobicContact CD1-SD 3.83Å; I353-T379 HydrophobicContact CB-CG2 4.44Å; I353-T379 HydrophobicContact CG2-CG2 4.1Å |
| 354 | N | 98.7 | Very high | 98.4 | Very high | 88 Ų | 88 | 40.5 Ų | 40.5 | 47% | 0.471 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -69.6 | -17.5 | -179 | -71.8 | -18.8 | 0 | 0 | 0 | 113.7 | I350 R351 K356 E378 | I350-N354 WeakPolarHBondContact O-CB 3.27Å; I350-N354 PolarHBondContact O-N 2.91Å; I350-N354 PolarHBondContact O-ND2 3.39Å; R351-N354 PolarHBondContact O-N 3.17Å; N354-K356 PolarHBondContact O-N 3.05Å; N354-E378 PolarHBondContact ND2-O 3.5Å |
| 355 | G | 97.9 | Very high | 98.5 | Very high | 67 Ų | 67 | 38.5 Ų | 38.5 | 69% | 0.691 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 0.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R351 F352 I353 | R351-G355 PolarHBondContact O-N 2.94Å; F352-G355 PolarHBondContact O-N 3.44Å; I353-G355 PolarHBondContact O-N 2.82Å |
| 356 | K | 97.2 | Very high | 98.6 | Very high | 57 Ų | 57 | 35 Ų | 35 | 25% | 0.248 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -123.9 | 170.6 | -178.9 | -66.8 | 178.8 | 178 | -72.8 | 0 | 111 | M329 F352 I353 N354 | M329-K356 PolarHBondContact O-NZ 2.9Å; F352-K356 HydrophobicContact CE1-CD 4.02Å; F352-K356 VanDerWaalsContact CZ-CE 3.47Å; I353-K356 PolarHBondContact O-N 3.35Å; I353-K356 VanDerWaalsContact O-N 3.1Å; N354-K356 PolarHBondContact O-N 3.05Å |
| 357 | E | 98.3 | Very high | 98.5 | Very high | 127 Ų | 127 | 38.3 Ų | 38.3 | 59% | 0.593 | 21% | 0.205 | S | C | * | . | P | Polyproline II helix | trans | -62.6 | 147 | 172.3 | -68.9 | -68.1 | 176.7 | 0 | 0 | 111.7 | P359 Q405 | E357-P359 WeakPolarHBondContact O-CD 3.44Å; E357-Q405 HydrophobicContact CB-CB 4.16Å; E357-Q405 HydrophobicContact CB-CG 4.12Å; E357-Q405 HydrophobicContact CG-CB 4.37Å; E357-Q405 HydrophobicContact CG-CG 3.79Å; E357-Q405 WeakPolarHBondContact OE2-CG 3.22Å |
| 358 | K | 98.8 | Very high | 98.5 | Very high | 89 Ų | 89 | 41 Ų | 41 | 39% | 0.387 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -64.9 | 121.5 | -176.9 | -65.9 | -179.1 | 179.7 | -163.5 | 0 | 111.3 | S380 V403 S406 | K358-S380 WeakPolarHBondContact CD-OG 3.5Å; K358-S380 WeakPolarHBondContact CE-OG 3.1Å; K358-S380 PolarHBondContact NZ-OG 3.45Å; K358-V403 HydrophobicContact CB-CG1 4.13Å; K358-V403 WeakPolarHBondContact CB-O 3.26Å; K358-V403 HydrophobicContact CD-CG1 3.99Å; K358-V403 HydrophobicContact CD-CG2 4.13Å; K358-S406 VanDerWaalsContact O-CB 3.29Å; K358-S406 WeakPolarHBondContact O-CB 3.22Å; K358-S406 PolarHBondContact O-OG 3.31Å; K358-S406 VanDerWaalsContact O-OG 3.05Å |
| 359 | P | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -81.6 | 163.2 | -175.9 | 34.1 | -36.5 | 0 | 0 | 0 | 112.3 | K212 P214 E357 S381 G382 S406 | K212-P359 WeakPolarHBondContact O-CB 3.4Å; P214-P359 HydrophobicContact CG-CG 4.24Å; E357-P359 WeakPolarHBondContact O-CD 3.44Å; P359-S381 VanDerWaalsContact O-CA 3.28Å; P359-S381 WeakPolarHBondContact O-CA 3.31Å; P359-S381 WeakPolarHBondContact O-CB 3.41Å; P359-G382 PolarHBondContact O-N 2.88Å; P359-S406 PolarHBondContact O-OG 2.8Å |
| 360 | L | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -68 | -40.1 | 174.3 | -175.7 | 59.6 | 0 | 0 | 0 | 111.5 | C242 I243 G382 G383 F400 | C242-L360 HydrophobicContact CB-CD2 3.68Å; I243-L360 HydrophobicContact CG2-CB 4.42Å; I243-L360 HydrophobicContact CG2-CD2 3.49Å; I243-L360 VanDerWaalsContact CG2-CD2 3.49Å; I243-L360 HydrophobicContact CG2-CG 3.73Å; L360-G382 CarbonylContact O-C 3.47Å; L360-G382 WeakPolarHBondContact O-CA 3.1Å; L360-G382 PolarHBondContact O-N 2.85Å; L360-G382 VanDerWaalsContact O-N 3.17Å; L360-G383 PolarHBondContact O-N 3.06Å; L360-F400 HydrophobicContact CD2-CE2 4.44Å; L360-F400 HydrophobicContact CD2-CZ 3.91Å; L360-F400 HydrophobicContact CG-CZ 4.44Å |
| 361 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 153.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | S213 P214 I243 Y363 G383 | S213-A361 VanDerWaalsContact CA-O 3.28Å; S213-A361 WeakPolarHBondContact CA-O 3.11Å; S213-A361 VanDerWaalsContact CB-O 3.24Å; S213-A361 WeakPolarHBondContact CB-O 3.2Å; S213-A361 PolarHBondContact OG-N 3.05Å; S213-A361 PolarHBondContact OG-O 3.16Å; P214-A361 WeakPolarHBondContact CD-O 3.09Å; I243-A361 HydrophobicContact CB-CB 4.17Å; I243-A361 HydrophobicContact CG2-CB 4.02Å; A361-Y363 HydrophobicContact CB-CE1 4.22Å; A361-Y363 HydrophobicContact CB-CE2 4.03Å; A361-G383 WeakPolarHBondContact CA-O 3.44Å |
| 362 | L | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 132.5 | 170.4 | 162.4 | 66.7 | 0 | 0 | 0 | 108.7 | P214 I353 V364 M375 T379 G383 V384 V385 | P214-L362 HydrophobicContact CB-CD1 4.36Å; P214-L362 HydrophobicContact CG-CB 4.47Å; P214-L362 HydrophobicContact CG-CD1 3.61Å; I353-L362 HydrophobicContact CD1-CD1 4.02Å; L362-V364 HydrophobicContact CD1-CG2 4.28Å; L362-V364 HydrophobicContact CG-CG2 4.18Å; L362-M375 HydrophobicContact CD1-CG 4.29Å; L362-M375 HydrophobicContact CD2-CG 4.09Å; L362-T379 WeakPolarHBondContact CD2-OG1 3.36Å; L362-G383 PolarHBondContact N-O 3.09Å; L362-V384 HydrophobicContact CB-CG2 4.26Å; L362-V384 HydrophobicContact CD2-CG1 4.31Å; L362-V384 HydrophobicContact CD2-CG2 4.07Å; L362-V384 HydrophobicContact CG-CG1 4.26Å; L362-V384 HydrophobicContact CG-CG2 4.49Å; L362-V384 WeakPolarHBondContact O-CA 3.34Å; L362-V385 PolarHBondContact O-N 3.16Å |
| 363 | Y | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 134.6 | 179.9 | -57.1 | -58 | 0 | 0 | 0 | 111.4 | P214 C215 Y216 I243 P245 A361 V385 D388 V389 I390 | P214-Y363 PolarHBondContact O-N 3.02Å; C215-Y363 WeakPolarHBondContact CA-O 3.42Å; Y216-Y363 PolarHBondContact N-O 2.85Å; I243-Y363 VanDerWaalsContact O-CE2 3.32Å; I243-Y363 WeakPolarHBondContact O-CE2 3.39Å; I243-Y363 VanDerWaalsContact O-CZ 3.31Å; I243-Y363 PolarHBondContact O-OH 3.21Å; P245-Y363 HydrophobicContact CB-CD2 4.02Å; P245-Y363 HydrophobicContact CB-CE2 4.29Å; A361-Y363 HydrophobicContact CB-CE1 4.22Å; A361-Y363 HydrophobicContact CB-CE2 4.03Å; Y363-V385 WeakPolarHBondContact CA-O 3.35Å; Y363-V385 HydrophobicContact CD1-CB 3.8Å; Y363-V385 HydrophobicContact CD1-CG2 4.21Å; Y363-V385 HydrophobicContact CE1-CB 3.9Å; Y363-V385 HydrophobicContact CE1-CG2 3.8Å; Y363-D388 WeakPolarHBondContact CD1-O 3.46Å; Y363-V389 HydrophobicContact CD1-CB 4.16Å; Y363-V389 HydrophobicContact CD1-CG1 3.94Å; Y363-V389 HydrophobicContact CD2-CG1 4.02Å; Y363-V389 HydrophobicContact CE1-CB 4Å; Y363-V389 HydrophobicContact CE1-CG1 4.26Å; Y363-V389 HydrophobicContact CE2-CB 4.33Å; Y363-V389 HydrophobicContact CE2-CG1 4.3Å; Y363-V389 HydrophobicContact CG-CB 4.42Å; Y363-V389 HydrophobicContact CG-CG1 3.8Å; Y363-I390 PolarHBondContact OH-N 2.76Å; Y363-I390 VanDerWaalsContact OH-N 3.11Å |
| 364 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 114.5 | -177.6 | -169.9 | 0 | 0 | 0 | 0 | 109.7 | Y216 L362 I372 M375 V385 V386 N387 | Y216-V364 HydrophobicContact CD1-CG1 4.28Å; L362-V364 HydrophobicContact CD1-CG2 4.28Å; L362-V364 HydrophobicContact CG-CG2 4.18Å; V364-I372 HydrophobicContact CG1-CG1 4.41Å; V364-M375 HydrophobicContact CG1-CB 4.44Å; V364-M375 HydrophobicContact CG2-CB 4.08Å; V364-M375 HydrophobicContact CG2-CG 3.57Å; V364-V385 PolarHBondContact N-O 2.78Å; V364-V386 HydrophobicContact CB-CG2 4.5Å; V364-V386 CarbonylContact O-C 3.57Å; V364-V386 VanDerWaalsContact O-CA 3.3Å; V364-V386 WeakPolarHBondContact O-CA 3.26Å; V364-N387 PolarHBondContact O-N 2.81Å |
| 365 | F | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 109.4 | 173.2 | -71.6 | -96.4 | 0 | 0 | 0 | 109.1 | C215 Y216 I217 D218 A226 R229 I230 N387 V389 | C215-F365 VanDerWaalsContact SG-CE2 3.57Å; Y216-F365 PolarHBondContact O-N 2.68Å; I217-F365 HydrophobicContact CG1-CB 4.49Å; I217-F365 HydrophobicContact CG2-CB 4.42Å; D218-F365 VanDerWaalsContact CB-O 3.24Å; D218-F365 WeakPolarHBondContact CB-O 3.45Å; D218-F365 PolarHBondContact N-O 2.66Å; A226-F365 HydrophobicContact CB-CB 4.19Å; A226-F365 HydrophobicContact CB-CD1 3.43Å; A226-F365 VanDerWaalsContact CB-CD1 3.43Å; A226-F365 HydrophobicContact CB-CE1 4Å; A226-F365 HydrophobicContact CB-CG 3.92Å; R229-F365 HydrophobicContact CB-CE1 4.16Å; R229-F365 HydrophobicContact CB-CZ 4.16Å; I230-F365 HydrophobicContact CD1-CD2 3.9Å; I230-F365 HydrophobicContact CD1-CE2 3.72Å; I230-F365 HydrophobicContact CD1-CG 4.49Å; I230-F365 HydrophobicContact CD1-CZ 4.15Å; I230-F365 HydrophobicContact CG1-CD2 4.23Å; I230-F365 HydrophobicContact CG1-CE1 4.49Å; I230-F365 HydrophobicContact CG1-CE2 3.51Å; I230-F365 HydrophobicContact CG1-CZ 3.67Å; F365-N387 VanDerWaalsContact CA-OD1 3.32Å; F365-N387 WeakPolarHBondContact CA-OD1 3.33Å; F365-N387 WeakPolarHBondContact CE1-O 3.43Å; F365-V389 HydrophobicContact CE2-CG1 3.97Å; F365-V389 HydrophobicContact CZ-CG1 3.99Å |
| 366 | S | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -163.5 | 148.7 | -179.9 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | D218 D368 N387 | D218-S366 WeakPolarHBondContact OD2-CB 3.18Å; D218-S366 PolarHBondContact OD2-OG 3.12Å; S366-D368 PolarHBondContact OG-N 2.87Å; S366-N387 PolarHBondContact N-OD1 2.76Å; S366-N387 PolarHBondContact O-ND2 2.93Å; S366-N387 PolarHBondContact O-OD1 2.67Å | ||
| 367 | S | 97.1 | Very high | 98.5 | Very high | 88 Ų | 88 | 55.2 Ų | 55.2 | 62% | 0.615 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -92.4 | -14.2 | 166.5 | -46.2 | 0 | 0 | 0 | 0 | 112.4 | D220 K369 | D220-S367 VanDerWaalsContact O-CB 3.24Å; D220-S367 WeakPolarHBondContact O-CB 3.2Å; D220-S367 PolarHBondContact O-N 2.67Å; D220-S367 VanDerWaalsContact O-N 3.13Å; D220-S367 PolarHBondContact O-OG 2.67Å; S367-K369 PolarHBondContact O-N 3.25Å |
| 368 | D | 97.8 | Very high | 98.5 | Very high | 62 Ų | 62 | 53 Ų | 53 | 33% | 0.332 | 27% | 0.265 | S | S | . | . | trans | -82.9 | 111.9 | 179 | -173.7 | -0.5 | 0 | 0 | 0 | 111.5 | S366 K370 V371 I372 | S366-D368 PolarHBondContact OG-N 2.87Å; D368-K370 PolarHBondContact O-N 3.47Å; D368-K370 VanDerWaalsContact O-N 3.17Å; D368-K370 WeakPolarHBondContact OD1-CB 3.29Å; D368-K370 PolarHBondContact OD1-N 2.87Å; D368-V371 HydrophobicContact CB-CB 4.14Å; D368-V371 HydrophobicContact CB-CG2 3.93Å; D368-V371 WeakPolarHBondContact O-CB 3.48Å; D368-V371 PolarHBondContact O-N 2.98Å; D368-V371 VanDerWaalsContact O-N 3.17Å; D368-I372 WeakPolarHBondContact O-CG1 3.45Å; D368-I372 PolarHBondContact O-N 3.44Å; D368-I372 VanDerWaalsContact O-N 3.09Å | ||
| 369 | K | 97.5 | Very high | 98.5 | Very high | 161 Ų | 161 | 49.8 Ų | 49.8 | 70% | 0.7 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.4 | -26.7 | 176.2 | -64.4 | -179.1 | -178.5 | 176.2 | 0 | 112.9 | S367 K373 | S367-K369 PolarHBondContact O-N 3.25Å; K369-K373 WeakPolarHBondContact O-CB 3.48Å; K369-K373 VanDerWaalsContact O-CG 3.22Å; K369-K373 WeakPolarHBondContact O-CG 3.44Å; K369-K373 PolarHBondContact O-N 3.03Å |
| 370 | K | 98 | Very high | 98.5 | Very high | 156 Ų | 156 | 51.6 Ų | 51.6 | 68% | 0.678 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -71.3 | -46.3 | 176.7 | -64.1 | 177.2 | -178.9 | 173.6 | 0 | 110.6 | D368 I372 K373 R374 | D368-K370 PolarHBondContact O-N 3.47Å; D368-K370 VanDerWaalsContact O-N 3.17Å; D368-K370 WeakPolarHBondContact OD1-CB 3.29Å; D368-K370 PolarHBondContact OD1-N 2.87Å; K370-I372 VanDerWaalsContact C-N 3.35Å; K370-I372 PolarHBondContact O-N 3.44Å; K370-K373 PolarHBondContact O-N 3.18Å; K370-R374 WeakPolarHBondContact O-CB 3.49Å; K370-R374 VanDerWaalsContact O-CG 3.27Å; K370-R374 WeakPolarHBondContact O-CG 3.23Å; K370-R374 PolarHBondContact O-N 3.45Å |
| 371 | V | 98.3 | Very high | 98.5 | Very high | 14 Ų | 14 | 52.4 Ų | 52.4 | 9% | 0.085 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56 | -50.6 | 174 | 168.4 | 0 | 0 | 0 | 0 | 110.2 | Y216 V346 D368 K373 R374 M375 | Y216-V371 HydrophobicContact CD1-CG1 4.41Å; Y216-V371 HydrophobicContact CE1-CG1 3.8Å; V346-V371 HydrophobicContact CB-CG1 4.47Å; V346-V371 HydrophobicContact CG2-CG1 3.89Å; D368-V371 HydrophobicContact CB-CB 4.14Å; D368-V371 HydrophobicContact CB-CG2 3.93Å; D368-V371 WeakPolarHBondContact O-CB 3.48Å; D368-V371 PolarHBondContact O-N 2.98Å; D368-V371 VanDerWaalsContact O-N 3.17Å; V371-K373 PolarHBondContact O-N 3.37Å; V371-R374 PolarHBondContact O-N 3.47Å; V371-M375 WeakPolarHBondContact O-CB 3.38Å; V371-M375 PolarHBondContact O-N 2.93Å |
| 372 | I | 98.5 | Very high | 98.5 | Very high | 29 Ų | 29 | 53.9 Ų | 53.9 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.1 | -51.4 | 179.2 | -65 | 160.2 | 0 | 0 | 0 | 111.5 | V364 D368 K370 R374 M375 I376 V386 | V364-I372 HydrophobicContact CG1-CG1 4.41Å; D368-I372 WeakPolarHBondContact O-CG1 3.45Å; D368-I372 PolarHBondContact O-N 3.44Å; D368-I372 VanDerWaalsContact O-N 3.09Å; K370-I372 VanDerWaalsContact C-N 3.35Å; K370-I372 PolarHBondContact O-N 3.44Å; I372-R374 VanDerWaalsContact C-N 3.33Å; I372-R374 PolarHBondContact O-N 2.99Å; I372-M375 PolarHBondContact O-N 3.01Å; I372-I376 HydrophobicContact CG2-CD1 3.87Å; I372-I376 WeakPolarHBondContact O-CG1 3.5Å; I372-I376 PolarHBondContact O-N 3.35Å; I372-I376 VanDerWaalsContact O-N 3.09Å; I372-V386 HydrophobicContact CD1-CG1 3.63Å; I372-V386 HydrophobicContact CG1-CG1 3.78Å; I372-V386 HydrophobicContact CG2-CB 4.48Å; I372-V386 HydrophobicContact CG2-CG1 4.04Å; I372-V386 HydrophobicContact CG2-CG2 3.64Å |
| 373 | K | 98.5 | Very high | 98.5 | Very high | 151 Ų | 151 | 54.6 Ų | 54.6 | 66% | 0.657 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.7 | -41.6 | -178.9 | -78.4 | 178.1 | 179.3 | -173.6 | 0 | 112.1 | K369 K370 V371 A377 | K369-K373 WeakPolarHBondContact O-CB 3.48Å; K369-K373 VanDerWaalsContact O-CG 3.22Å; K369-K373 WeakPolarHBondContact O-CG 3.44Å; K369-K373 PolarHBondContact O-N 3.03Å; K370-K373 PolarHBondContact O-N 3.18Å; V371-K373 PolarHBondContact O-N 3.37Å; K373-A377 WeakPolarHBondContact O-CB 3.42Å; K373-A377 PolarHBondContact O-N 2.99Å |
| 374 | R | 98.5 | Very high | 98.5 | Very high | 101 Ų | 101 | 57 Ų | 57 | 38% | 0.381 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 178 | -74.9 | -172.7 | 66.7 | -150.9 | -8.8 | 111.5 | I350 K370 V371 I372 I376 A377 E378 | I350-R374 HydrophobicContact CD1-CB 4.35Å; K370-R374 WeakPolarHBondContact O-CB 3.49Å; K370-R374 VanDerWaalsContact O-CG 3.27Å; K370-R374 WeakPolarHBondContact O-CG 3.23Å; K370-R374 PolarHBondContact O-N 3.45Å; V371-R374 PolarHBondContact O-N 3.47Å; I372-R374 VanDerWaalsContact C-N 3.33Å; I372-R374 PolarHBondContact O-N 2.99Å; R374-I376 VanDerWaalsContact C-N 3.3Å; R374-I376 PolarHBondContact O-N 3.32Å; R374-A377 PolarHBondContact O-N 3.43Å; R374-E378 WeakPolarHBondContact CB-OE1 3.37Å; R374-E378 WeakPolarHBondContact CG-OE1 3.48Å; R374-E378 IonicContact CZ-OE1 3.69Å; R374-E378 IonicContact NE-OE1 3.82Å; R374-E378 PolarHBondContact NE-OE1 2.99Å; R374-E378 IonicContact NE-OE2 2.78Å; R374-E378 IonicContact NH2-OE1 2.7Å; R374-E378 PolarHBondContact NH2-OE1 3.42Å; R374-E378 IonicContact NH2-OE2 2.67Å; R374-E378 PolarHBondContact NH2-OE2 3.03Å; R374-E378 VanDerWaalsContact O-CB 3.26Å; R374-E378 WeakPolarHBondContact O-CB 3.32Å; R374-E378 WeakPolarHBondContact O-CG 3.36Å; R374-E378 PolarHBondContact O-N 3.28Å |
| 375 | M | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.3 | -43.6 | 178.7 | -165.8 | 67.8 | 76.9 | 0 | 0 | 111.6 | Y216 V346 A349 I350 I353 L362 V364 V371 I372 T379 | Y216-M375 HydrophobicContact CD1-CE 3.61Å; Y216-M375 HydrophobicContact CD2-CE 4.16Å; Y216-M375 HydrophobicContact CE1-CE 4.22Å; Y216-M375 HydrophobicContact CG-CE 3.56Å; V346-M375 HydrophobicContact CG2-CE 3.85Å; A349-M375 HydrophobicContact CB-CE 4.08Å; I350-M375 HydrophobicContact CD1-SD 4.43Å; I350-M375 HydrophobicContact CG1-CE 4.2Å; I350-M375 HydrophobicContact CG1-SD 3.55Å; I350-M375 VanDerWaalsContact CG1-SD 3.55Å; I353-M375 HydrophobicContact CD1-SD 3.83Å; L362-M375 HydrophobicContact CD1-CG 4.29Å; L362-M375 HydrophobicContact CD2-CG 4.09Å; V364-M375 HydrophobicContact CG1-CB 4.44Å; V364-M375 HydrophobicContact CG2-CB 4.08Å; V364-M375 HydrophobicContact CG2-CG 3.57Å; V371-M375 WeakPolarHBondContact O-CB 3.38Å; V371-M375 PolarHBondContact O-N 2.93Å; I372-M375 PolarHBondContact O-N 3.01Å; M375-T379 WeakPolarHBondContact O-CB 3.4Å; M375-T379 WeakPolarHBondContact O-CG2 3.36Å; M375-T379 PolarHBondContact O-N 3.33Å; M375-T379 PolarHBondContact O-OG1 2.96Å; M375-T379 HydrophobicContact SD-CG2 4.04Å |
| 376 | I | 98.8 | Very high | 98.5 | Very high | 84 Ų | 84 | 60 Ų | 60 | 43% | 0.431 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.3 | -43.2 | 177.1 | -66.3 | 168.3 | 0 | 0 | 0 | 111.8 | I372 R374 V384 V386 | I372-I376 HydrophobicContact CG2-CD1 3.87Å; I372-I376 WeakPolarHBondContact O-CG1 3.5Å; I372-I376 PolarHBondContact O-N 3.35Å; I372-I376 VanDerWaalsContact O-N 3.09Å; R374-I376 VanDerWaalsContact C-N 3.3Å; R374-I376 PolarHBondContact O-N 3.32Å; I376-V384 HydrophobicContact CD1-CG1 4.5Å; I376-V384 HydrophobicContact CG1-CG1 4.05Å; I376-V386 HydrophobicContact CD1-CG2 4.33Å |
| 377 | A | 98.8 | Very high | 98.5 | Very high | 84 Ų | 84 | 62.6 Ų | 62.6 | 69% | 0.694 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -76.6 | -28.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K373 R374 | K373-A377 WeakPolarHBondContact O-CB 3.42Å; K373-A377 PolarHBondContact O-N 2.99Å; R374-A377 PolarHBondContact O-N 3.43Å |
| 378 | E | 98.9 | Very high | 98.6 | Very high | 81 Ų | 81 | 60.2 Ų | 60.2 | 38% | 0.379 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -103.2 | 1.5 | -172.1 | -60.9 | 173.7 | -141.5 | 0 | 0 | 112.9 | I350 N354 R374 | I350-E378 HydrophobicContact CD1-CB 4.15Å; I350-E378 HydrophobicContact CG2-CB 3.8Å; N354-E378 PolarHBondContact ND2-O 3.5Å; R374-E378 WeakPolarHBondContact CB-OE1 3.37Å; R374-E378 WeakPolarHBondContact CG-OE1 3.48Å; R374-E378 IonicContact CZ-OE1 3.69Å; R374-E378 IonicContact NE-OE1 3.82Å; R374-E378 PolarHBondContact NE-OE1 2.99Å; R374-E378 IonicContact NE-OE2 2.78Å; R374-E378 IonicContact NH2-OE1 2.7Å; R374-E378 PolarHBondContact NH2-OE1 3.42Å; R374-E378 IonicContact NH2-OE2 2.67Å; R374-E378 PolarHBondContact NH2-OE2 3.03Å; R374-E378 VanDerWaalsContact O-CB 3.26Å; R374-E378 WeakPolarHBondContact O-CB 3.32Å; R374-E378 WeakPolarHBondContact O-CG 3.36Å; R374-E378 PolarHBondContact O-N 3.28Å |
| 379 | T | 98.9 | Very high | 98.6 | Very high | 21 Ų | 21 | 57.2 Ų | 57.2 | 13% | 0.129 | 31% | 0.305 | C | S | . | . | trans | -127.8 | 175.5 | 176.9 | 70.1 | 0 | 0 | 0 | 0 | 112.2 | I350 I353 L362 M375 | I350-T379 HydrophobicContact CB-CG2 4.49Å; I350-T379 HydrophobicContact CG1-CG2 4.22Å; I350-T379 HydrophobicContact CG2-CG2 4.17Å; I353-T379 HydrophobicContact CB-CG2 4.44Å; I353-T379 HydrophobicContact CG2-CG2 4.1Å; L362-T379 WeakPolarHBondContact CD2-OG1 3.36Å; M375-T379 WeakPolarHBondContact O-CB 3.4Å; M375-T379 WeakPolarHBondContact O-CG2 3.36Å; M375-T379 PolarHBondContact O-N 3.33Å; M375-T379 PolarHBondContact O-OG1 2.96Å; M375-T379 HydrophobicContact SD-CG2 4.04Å | ||
| 380 | S | 98.8 | Very high | 98.6 | Very high | 43 Ų | 43 | 50.2 Ų | 50.2 | 30% | 0.301 | 28% | 0.275 | S | S | . | . | trans | -142.6 | 124.6 | 177.8 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | K358 | K358-S380 WeakPolarHBondContact CD-OG 3.5Å; K358-S380 WeakPolarHBondContact CE-OG 3.1Å; K358-S380 PolarHBondContact NZ-OG 3.45Å | ||
| 381 | S | 98.9 | Very high | 98.6 | Very high | 21 Ų | 21 | 46.6 Ų | 46.6 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | trans | -143.1 | 171.1 | 176.4 | 60.9 | 0 | 0 | 0 | 0 | 110.4 | P359 G383 V384 V403 | P359-S381 VanDerWaalsContact O-CA 3.28Å; P359-S381 WeakPolarHBondContact O-CA 3.31Å; P359-S381 WeakPolarHBondContact O-CB 3.41Å; S381-G383 PolarHBondContact OG-O 3.32Å; S381-V384 WeakPolarHBondContact OG-CG2 3.28Å; S381-V403 VanDerWaalsContact C-CG1 3.49Å | ||
| 382 | G | 98.7 | Very high | 98.6 | Very high | 31 Ų | 31 | 47.1 Ų | 47.1 | 32% | 0.32 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -64.3 | -51.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P359 L360 G401 | P359-G382 PolarHBondContact O-N 2.88Å; L360-G382 CarbonylContact O-C 3.47Å; L360-G382 WeakPolarHBondContact O-CA 3.1Å; L360-G382 PolarHBondContact O-N 2.85Å; L360-G382 VanDerWaalsContact O-N 3.17Å; G382-G401 CarbonylContact C-O 3.56Å; G382-G401 WeakPolarHBondContact CA-O 3.41Å |
| 383 | G | 98.6 | Very high | 98.4 | Very high | 15 Ų | 15 | 47.9 Ų | 47.9 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 164.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | L360 A361 L362 S381 | L360-G383 PolarHBondContact O-N 3.06Å; A361-G383 WeakPolarHBondContact CA-O 3.44Å; L362-G383 PolarHBondContact N-O 3.09Å; S381-G383 PolarHBondContact OG-O 3.32Å |
| 384 | V | 98.8 | Very high | 98.2 | Very high | 52 Ų | 52 | 45 Ų | 45 | 32% | 0.315 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 136.8 | 175 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | L362 I376 S381 V386 | L362-V384 HydrophobicContact CB-CG2 4.26Å; L362-V384 HydrophobicContact CD2-CG1 4.31Å; L362-V384 HydrophobicContact CD2-CG2 4.07Å; L362-V384 HydrophobicContact CG-CG1 4.26Å; L362-V384 HydrophobicContact CG-CG2 4.49Å; L362-V384 WeakPolarHBondContact O-CA 3.34Å; I376-V384 HydrophobicContact CD1-CG1 4.5Å; I376-V384 HydrophobicContact CG1-CG1 4.05Å; S381-V384 WeakPolarHBondContact OG-CG2 3.28Å; V384-V386 HydrophobicContact CG1-CG2 4.47Å |
| 385 | V | 98.9 | Very high | 97.9 | Very high | 16 Ų | 16 | 44.4 Ų | 44.4 | 10% | 0.097 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133.1 | 167.5 | -169.2 | 0 | 0 | 0 | 0 | 109.5 | L362 Y363 V364 D388 H392 | L362-V385 PolarHBondContact O-N 3.16Å; Y363-V385 WeakPolarHBondContact CA-O 3.35Å; Y363-V385 HydrophobicContact CD1-CB 3.8Å; Y363-V385 HydrophobicContact CD1-CG2 4.21Å; Y363-V385 HydrophobicContact CE1-CB 3.9Å; Y363-V385 HydrophobicContact CE1-CG2 3.8Å; V364-V385 PolarHBondContact N-O 2.78Å; V385-D388 WeakPolarHBondContact CB-O 3.34Å; V385-D388 HydrophobicContact CG1-CB 3.79Å; V385-D388 VanDerWaalsContact CG1-O 3.23Å; V385-D388 WeakPolarHBondContact CG1-O 3.45Å; V385-H392 HydrophobicContact CG2-CB 3.72Å; V385-H392 WeakPolarHBondContact CG2-ND1 3.49Å |
| 386 | V | 98.7 | Very high | 97.5 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 129.4 | 177 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | V364 I372 I376 V384 D388 | V364-V386 HydrophobicContact CB-CG2 4.5Å; V364-V386 CarbonylContact O-C 3.57Å; V364-V386 VanDerWaalsContact O-CA 3.3Å; V364-V386 WeakPolarHBondContact O-CA 3.26Å; I372-V386 HydrophobicContact CD1-CG1 3.63Å; I372-V386 HydrophobicContact CG1-CG1 3.78Å; I372-V386 HydrophobicContact CG2-CB 4.48Å; I372-V386 HydrophobicContact CG2-CG1 4.04Å; I372-V386 HydrophobicContact CG2-CG2 3.64Å; I376-V386 HydrophobicContact CD1-CG2 4.33Å; V384-V386 HydrophobicContact CG1-CG2 4.47Å; V386-D388 PolarHBondContact O-N 2.95Å |
| 387 | N | 98.6 | Very high | 97.2 | Very high | 54 Ų | 54 | 45.8 Ų | 45.8 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 61 | 15.8 | -179.7 | -63.1 | -37.6 | 0 | 0 | 0 | 114.9 | R229 V364 F365 S366 | R229-N387 WeakPolarHBondContact CD-O 3.37Å; R229-N387 PolarHBondContact NH1-O 2.76Å; V364-N387 PolarHBondContact O-N 2.81Å; F365-N387 VanDerWaalsContact CA-OD1 3.32Å; F365-N387 WeakPolarHBondContact CA-OD1 3.33Å; F365-N387 WeakPolarHBondContact CE1-O 3.43Å; S366-N387 PolarHBondContact N-OD1 2.76Å; S366-N387 PolarHBondContact O-ND2 2.93Å; S366-N387 PolarHBondContact O-OD1 2.67Å |
| 388 | D | 98.8 | Very high | 97.1 | Very high | 37 Ų | 37 | 45.3 Ų | 45.3 | 20% | 0.198 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -154 | 176.7 | 170.7 | -142.6 | -30.1 | 0 | 0 | 0 | 110.4 | R229 Y363 V385 V386 M391 | R229-D388 WeakPolarHBondContact CD-OD1 3.25Å; R229-D388 IonicContact CZ-OD2 3.6Å; R229-D388 IonicContact NE-OD1 3.97Å; R229-D388 IonicContact NE-OD2 2.64Å; R229-D388 PolarHBondContact NE-OD2 2.64Å; Y363-D388 WeakPolarHBondContact CD1-O 3.46Å; V385-D388 WeakPolarHBondContact CB-O 3.34Å; V385-D388 HydrophobicContact CG1-CB 3.79Å; V385-D388 VanDerWaalsContact CG1-O 3.23Å; V385-D388 WeakPolarHBondContact CG1-O 3.45Å; V386-D388 PolarHBondContact O-N 2.95Å; D388-M391 HydrophobicContact CB-CG 4.43Å |
| 389 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -127.4 | 156.1 | 175.5 | -61.4 | 0 | 0 | 0 | 0 | 110.4 | R229 I230 W232 P245 Y363 F365 M391 | R229-V389 VanDerWaalsContact O-CG2 3.23Å; R229-V389 WeakPolarHBondContact O-CG2 3.39Å; I230-V389 HydrophobicContact CG1-CG1 4.34Å; W232-V389 HydrophobicContact CE3-CG2 3.84Å; W232-V389 HydrophobicContact CZ3-CG2 3.93Å; P245-V389 HydrophobicContact CG-CG1 4.36Å; Y363-V389 HydrophobicContact CD1-CB 4.16Å; Y363-V389 HydrophobicContact CD1-CG1 3.94Å; Y363-V389 HydrophobicContact CD2-CG1 4.02Å; Y363-V389 HydrophobicContact CE1-CB 4Å; Y363-V389 HydrophobicContact CE1-CG1 4.26Å; Y363-V389 HydrophobicContact CE2-CB 4.33Å; Y363-V389 HydrophobicContact CE2-CG1 4.3Å; Y363-V389 HydrophobicContact CG-CB 4.42Å; Y363-V389 HydrophobicContact CG-CG1 3.8Å; F365-V389 HydrophobicContact CE2-CG1 3.97Å; F365-V389 HydrophobicContact CZ-CG1 3.99Å; V389-M391 WeakPolarHBondContact O-CG 2.93Å; V389-M391 PolarHBondContact O-N 3.43Å |
| 390 | I | 98 | Very high | 97.1 | Very high | 14 Ų | 14 | 44.1 Ų | 44.1 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 65.7 | -34.9 | 173.9 | -58.4 | 179.4 | 0 | 0 | 0 | 115.6 | W232 I243 Y363 H392 Y393 | W232-I390 HydrophobicContact CH2-CB 3.96Å; W232-I390 HydrophobicContact CH2-CD1 4.17Å; W232-I390 HydrophobicContact CH2-CG2 4.11Å; W232-I390 HydrophobicContact CZ3-CB 3.94Å; W232-I390 HydrophobicContact CZ3-CD1 4.11Å; W232-I390 HydrophobicContact CZ3-CG1 4.34Å; I243-I390 HydrophobicContact CD1-CB 4.38Å; I243-I390 HydrophobicContact CD1-CG1 4.45Å; I243-I390 HydrophobicContact CD1-CG2 3.93Å; I243-I390 HydrophobicContact CG1-CG1 4.34Å; Y363-I390 PolarHBondContact OH-N 2.76Å; Y363-I390 VanDerWaalsContact OH-N 3.11Å; I390-H392 PolarHBondContact O-N 2.95Å; I390-H392 PolarHBondContact O-ND1 3.31Å; I390-Y393 VanDerWaalsContact O-CB 3.25Å; I390-Y393 WeakPolarHBondContact O-CB 3.32Å; I390-Y393 PolarHBondContact O-N 3.05Å |
| 391 | M | 97.3 | Very high | 97 | Very high | 80 Ų | 80 | 42.5 Ų | 42.5 | 39% | 0.394 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -58.6 | -20.3 | -165.8 | -66.9 | -49.2 | -57.9 | 0 | 0 | 116.3 | W232 D388 V389 Y393 V394 | W232-M391 HydrophobicContact CH2-SD 4.16Å; W232-M391 HydrophobicContact CZ3-SD 4.49Å; D388-M391 HydrophobicContact CB-CG 4.43Å; V389-M391 WeakPolarHBondContact O-CG 2.93Å; V389-M391 PolarHBondContact O-N 3.43Å; M391-Y393 PolarHBondContact O-N 3.36Å; M391-V394 HydrophobicContact CE-CG1 4.41Å; M391-V394 HydrophobicContact CE-CG2 3.54Å; M391-V394 WeakPolarHBondContact O-CG2 3.43Å; M391-V394 PolarHBondContact O-N 3.16Å |
| 392 | H | 97.5 | Very high | 97 | Very high | 24 Ų | 24 | 42 Ų | 42 | 11% | 0.111 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -62.8 | -25.7 | 171.6 | 66.2 | -67 | 0 | 0 | 0 | 113 | V385 I390 V394 L398 | V385-H392 HydrophobicContact CG2-CB 3.72Å; V385-H392 WeakPolarHBondContact CG2-ND1 3.49Å; I390-H392 PolarHBondContact O-N 2.95Å; I390-H392 PolarHBondContact O-ND1 3.31Å; H392-V394 VanDerWaalsContact C-N 3.34Å; H392-V394 PolarHBondContact O-N 2.68Å; H392-L398 HydrophobicContact CB-CD1 4.05Å |
| 393 | Y | 96 | Very high | 97 | Very high | 46 Ų | 46 | 42.8 Ų | 42.8 | 18% | 0.18 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -66.2 | -31.6 | 178.1 | -178.9 | -92.8 | 0 | 0 | 0 | 113.2 | Q121 I243 I390 M391 L395 F400 H412 | Q121-Y393 PolarHBondContact OE1-OH 2.85Å; I243-Y393 HydrophobicContact CD1-CD2 4.22Å; I243-Y393 HydrophobicContact CD1-CG 4.17Å; I390-Y393 VanDerWaalsContact O-CB 3.25Å; I390-Y393 WeakPolarHBondContact O-CB 3.32Å; I390-Y393 PolarHBondContact O-N 3.05Å; M391-Y393 PolarHBondContact O-N 3.36Å; Y393-L395 PolarHBondContact O-N 3.12Å; Y393-F400 HydrophobicContact CD2-CD1 4.12Å; Y393-F400 AromaticContact CD2-CD2 3.85Å; Y393-F400 HydrophobicContact CD2-CD2 3.85Å; Y393-F400 HydrophobicContact CD2-CE1 4Å; Y393-F400 AromaticContact CD2-CE2 3.71Å; Y393-F400 HydrophobicContact CD2-CE2 3.71Å; Y393-F400 HydrophobicContact CD2-CG 4.05Å; Y393-F400 AromaticContact CD2-CZ 3.77Å; Y393-F400 HydrophobicContact CD2-CZ 3.77Å; Y393-F400 HydrophobicContact CE2-CD1 4.1Å; Y393-F400 AromaticContact CE2-CE1 3.9Å; Y393-F400 HydrophobicContact CE2-CE1 3.9Å; Y393-F400 HydrophobicContact CE2-CE2 4.43Å; Y393-F400 HydrophobicContact CE2-CG 4.44Å; Y393-F400 HydrophobicContact CE2-CZ 4.06Å; Y393-H412 AromaticContact CD2-CE1 3.54Å; Y393-H412 AromaticContact CD2-NE2 3.95Å; Y393-H412 AromaticContact CE2-CE1 3.45Å; Y393-H412 VanDerWaalsContact CE2-CE1 3.45Å; Y393-H412 WeakPolarHBondContact CE2-CE1 3.34Å; Y393-H412 AromaticContact CE2-NE2 3.48Å; Y393-H412 WeakPolarHBondContact CE2-NE2 3.48Å; Y393-H412 AromaticContact CG-CE1 3.99Å; Y393-H412 AromaticContact CZ-CE1 3.81Å; Y393-H412 AromaticContact CZ-NE2 3.93Å; Y393-H412 PolarHBondContact O-CE1 3.42Å; Y393-H412 PolarHBondContact O-ND1 2.99Å |
| 394 | V | 92.3 | Very high | 97 | Very high | 90 Ų | 90 | 44.5 Ų | 44.5 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -81.6 | -3.2 | -173.7 | -51.1 | 0 | 0 | 0 | 0 | 113.3 | M391 H392 | M391-V394 HydrophobicContact CE-CG1 4.41Å; M391-V394 HydrophobicContact CE-CG2 3.54Å; M391-V394 WeakPolarHBondContact O-CG2 3.43Å; M391-V394 PolarHBondContact O-N 3.16Å; H392-V394 VanDerWaalsContact C-N 3.34Å; H392-V394 PolarHBondContact O-N 2.68Å |
| 395 | L | 93.1 | Very high | 97 | Very high | 88 Ų | 88 | 45 Ų | 45 | 46% | 0.461 | 27% | 0.265 | S | S | . | . | trans | -102.5 | 95.8 | -174.2 | -174.5 | 60.3 | 0 | 0 | 0 | 110.8 | Y393 S397 L398 | Y393-L395 PolarHBondContact O-N 3.12Å; L395-S397 WeakPolarHBondContact CG-OG 3.43Å; L395-S397 PolarHBondContact O-N 2.7Å; L395-L398 HydrophobicContact CB-CD1 4.21Å; L395-L398 HydrophobicContact CB-CG 4.35Å; L395-L398 HydrophobicContact CD2-CD1 3.87Å; L395-L398 HydrophobicContact CD2-CG 3.83Å; L395-L398 HydrophobicContact CG-CD1 4.41Å; L395-L398 HydrophobicContact CG-CG 4.19Å; L395-L398 PolarHBondContact O-N 3Å | ||
| 396 | N | 89.9 | Confident | 97 | Very high | 29 Ų | 29 | 44.3 Ų | 44.3 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -11.1 | -176.6 | -57.9 | -9.9 | 0 | 0 | 0 | 115.3 | E68 L71 | E68-N396 PolarHBondContact OE2-ND2 3Å; L71-N396 HydrophobicContact CD2-CB 3.46Å; L71-N396 VanDerWaalsContact CD2-CB 3.46Å |
| 397 | S | 92.6 | Very high | 97 | Very high | 84 Ų | 84 | 42 Ų | 42 | 59% | 0.587 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -21.7 | 173 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | L395 H415 | L395-S397 WeakPolarHBondContact CG-OG 3.43Å; L395-S397 PolarHBondContact O-N 2.7Å; S397-H415 PolarHBondContact O-NE2 3.32Å |
| 398 | L | 97.4 | Very high | 97 | Very high | 75 Ų | 75 | 43.2 Ų | 43.2 | 39% | 0.393 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -81.4 | 137.7 | 172.8 | -68.6 | 177.3 | 0 | 0 | 0 | 109.6 | H392 L395 F400 | H392-L398 HydrophobicContact CB-CD1 4.05Å; L395-L398 HydrophobicContact CB-CD1 4.21Å; L395-L398 HydrophobicContact CB-CG 4.35Å; L395-L398 HydrophobicContact CD2-CD1 3.87Å; L395-L398 HydrophobicContact CD2-CG 3.83Å; L395-L398 HydrophobicContact CG-CD1 4.41Å; L395-L398 HydrophobicContact CG-CG 4.19Å; L395-L398 PolarHBondContact O-N 3Å; L398-F400 PolarHBondContact O-N 3.01Å |
| 399 | P | 97.9 | Very high | 97 | Very high | 60 Ų | 60 | 42.7 Ų | 42.7 | 39% | 0.39 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -70 | 130.5 | 165.3 | 28.5 | -29.5 | 0 | 0 | 0 | 108.8 | R410 H415 | P399-R410 HydrophobicContact CB-CB 3.94Å; P399-R410 HydrophobicContact CB-CG 4.05Å; P399-H415 HydrophobicContact CB-CB 4.39Å |
| 400 | F | 98.7 | Very high | 96.9 | Very high | 16 Ų | 16 | 49.3 Ų | 49.3 | 7% | 0.07 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -103.9 | 126.3 | 170.1 | 179.6 | -101.2 | 0 | 0 | 0 | 108.8 | I243 L360 Y393 L398 R410 Y411 H412 | I243-F400 HydrophobicContact CD1-CE2 4.41Å; I243-F400 HydrophobicContact CG2-CE2 3.87Å; I243-F400 HydrophobicContact CG2-CZ 4.09Å; L360-F400 HydrophobicContact CD2-CE2 4.44Å; L360-F400 HydrophobicContact CD2-CZ 3.91Å; L360-F400 HydrophobicContact CG-CZ 4.44Å; Y393-F400 HydrophobicContact CD2-CD1 4.12Å; Y393-F400 AromaticContact CD2-CD2 3.85Å; Y393-F400 HydrophobicContact CD2-CD2 3.85Å; Y393-F400 HydrophobicContact CD2-CE1 4Å; Y393-F400 AromaticContact CD2-CE2 3.71Å; Y393-F400 HydrophobicContact CD2-CE2 3.71Å; Y393-F400 HydrophobicContact CD2-CG 4.05Å; Y393-F400 AromaticContact CD2-CZ 3.77Å; Y393-F400 HydrophobicContact CD2-CZ 3.77Å; Y393-F400 HydrophobicContact CE2-CD1 4.1Å; Y393-F400 AromaticContact CE2-CE1 3.9Å; Y393-F400 HydrophobicContact CE2-CE1 3.9Å; Y393-F400 HydrophobicContact CE2-CE2 4.43Å; Y393-F400 HydrophobicContact CE2-CG 4.44Å; Y393-F400 HydrophobicContact CE2-CZ 4.06Å; L398-F400 PolarHBondContact O-N 3.01Å; F400-R410 CarbonylContact O-C 3.54Å; F400-R410 VanDerWaalsContact O-CA 3.23Å; F400-R410 WeakPolarHBondContact O-CA 3.22Å; F400-Y411 HydrophobicContact CD1-CD1 4.05Å; F400-Y411 AromaticContact CD1-CE1 3.34Å; F400-Y411 HydrophobicContact CD1-CE1 3.34Å; F400-Y411 AromaticContact CD1-CZ 3.9Å; F400-Y411 AromaticContact CE1-CE1 3.87Å; F400-Y411 HydrophobicContact CE1-CE1 3.87Å; F400-Y411 HydrophobicContact CG-CE1 4.45Å; F400-Y411 PolarHBondContact N-O 2.71Å; F400-Y411 PolarHBondContact O-N 3.45Å; F400-H412 AromaticContact CD1-NE2 3.64Å; F400-H412 AromaticContact CG-NE2 3.81Å |
| 401 | G | 98.4 | Very high | 97 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 9% | 0.093 | 28% | 0.277 | C | S | . | . | trans | 177.3 | 153.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E208 G382 | E208-G401 WeakPolarHBondContact OE1-CA 3.2Å; E208-G401 WeakPolarHBondContact OE2-CA 3.38Å; G382-G401 CarbonylContact C-O 3.56Å; G382-G401 WeakPolarHBondContact CA-O 3.41Å | ||
| 402 | G | 98.6 | Very high | 97 | Very high | 12 Ų | 12 | 44.9 Ų | 44.9 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | trans | -86.6 | 179 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G407 | G402-G407 CarbonylContact C-O 3.58Š| ||
| 403 | V | 98.8 | Very high | 97 | Very high | 47 Ų | 47 | 43.9 Ų | 43.9 | 29% | 0.285 | 26% | 0.255 | S | S | . | . | trans | -144.1 | 130.7 | 172.8 | 58.9 | 0 | 0 | 0 | 0 | 110.3 | K358 S381 S406 G407 | K358-V403 HydrophobicContact CB-CG1 4.13Å; K358-V403 WeakPolarHBondContact CB-O 3.26Å; K358-V403 HydrophobicContact CD-CG1 3.99Å; K358-V403 HydrophobicContact CD-CG2 4.13Å; S381-V403 VanDerWaalsContact C-CG1 3.49Å; V403-S406 PolarHBondContact N-OG 3.46Å; V403-S406 PolarHBondContact O-OG 3.33Å; V403-G407 CarbonylContact C-O 3.5Å; V403-G407 WeakPolarHBondContact CA-O 3.47Å; V403-G407 PolarHBondContact N-O 2.99Å | ||
| 404 | G | 98.5 | Very high | 97.1 | Very high | 51 Ų | 51 | 45 Ų | 45 | 53% | 0.526 | 26% | 0.261 | S | S | . | . | B | Isolated β-bridge | trans | 72.1 | -130.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S406 G407 | G404-S406 PolarHBondContact O-N 3.3Å; G404-G407 PolarHBondContact N-O 2.91Å; G404-G407 PolarHBondContact O-N 3.06Å; G404-G407 VanDerWaalsContact O-N 3.12Å |
| 405 | Q | 98.1 | Very high | 97.4 | Very high | 63 Ų | 63 | 42.9 Ų | 42.9 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -23.4 | 179.9 | -72 | -70.5 | 6.5 | 0 | 0 | 114.1 | L209 E357 G407 | L209-Q405 WeakPolarHBondContact CB-O 3.43Å; L209-Q405 VanDerWaalsContact CD1-O 3.31Å; L209-Q405 WeakPolarHBondContact CD1-O 3.49Å; E357-Q405 HydrophobicContact CB-CB 4.16Å; E357-Q405 HydrophobicContact CB-CG 4.12Å; E357-Q405 HydrophobicContact CG-CB 4.37Å; E357-Q405 HydrophobicContact CG-CG 3.79Å; E357-Q405 WeakPolarHBondContact OE2-CG 3.22Å; Q405-G407 VanDerWaalsContact C-N 3.26Å; Q405-G407 PolarHBondContact O-N 3.47Å |
| 406 | S | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -8.8 | 175.8 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | L209 G210 K358 P359 V403 G404 | L209-S406 CarbonylContact C-O 3.51Å; L209-S406 WeakPolarHBondContact CA-O 3.23Å; L209-S406 WeakPolarHBondContact CB-O 3.41Å; L209-S406 PolarHBondContact N-O 3.45Å; G210-S406 VanDerWaalsContact O-CA 3.31Å; G210-S406 WeakPolarHBondContact O-CA 3.3Å; G210-S406 WeakPolarHBondContact O-CB 3.36Å; K358-S406 VanDerWaalsContact O-CB 3.29Å; K358-S406 WeakPolarHBondContact O-CB 3.22Å; K358-S406 PolarHBondContact O-OG 3.31Å; K358-S406 VanDerWaalsContact O-OG 3.05Å; P359-S406 PolarHBondContact O-OG 2.8Å; V403-S406 PolarHBondContact N-OG 3.46Å; V403-S406 PolarHBondContact O-OG 3.33Å; G404-S406 PolarHBondContact O-N 3.3Å |
| 407 | G | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 144.1 | -178.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116 | L207 G402 V403 G404 Q405 | L207-G407 CarbonylContact O-C 3.45Å; L207-G407 WeakPolarHBondContact O-CA 2.95Å; G402-G407 CarbonylContact C-O 3.58Å; V403-G407 CarbonylContact C-O 3.5Å; V403-G407 WeakPolarHBondContact CA-O 3.47Å; V403-G407 PolarHBondContact N-O 2.99Å; G404-G407 PolarHBondContact N-O 2.91Å; G404-G407 PolarHBondContact O-N 3.06Å; G404-G407 VanDerWaalsContact O-N 3.12Å; Q405-G407 VanDerWaalsContact C-N 3.26Å; Q405-G407 PolarHBondContact O-N 3.47Å |
| 408 | M | 98.9 | Very high | 98.4 | Very high | 79 Ų | 79 | 35.2 Ų | 35.2 | 39% | 0.389 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 150.1 | 170.2 | 67.2 | 175.4 | 71.3 | 0 | 0 | 110.7 | M195 V205 T206 L207 | M195-M408 HydrophobicContact CE-CE 3.78Å; M195-M408 HydrophobicContact CE-SD 4.03Å; M195-M408 HydrophobicContact SD-CE 3.73Å; M195-M408 HydrophobicContact SD-SD 4.33Å; V205-M408 HydrophobicContact CG2-CG 4.38Å; V205-M408 HydrophobicContact CG2-SD 3.88Å; T206-M408 WeakPolarHBondContact CA-O 3.36Å; L207-M408 HydrophobicContact CB-CG 4.24Å; L207-M408 HydrophobicContact CD1-CE 4.41Å; L207-M408 HydrophobicContact CD1-CG 4.2Å; L207-M408 HydrophobicContact CD1-SD 4.48Å; L207-M408 HydrophobicContact CG-CG 4.18Å; L207-M408 PolarHBondContact N-O 2.91Å; L207-M408 PolarHBondContact O-N 3.14Å |
| 409 | G | 98.4 | Very high | 98.5 | Very high | 27 Ų | 27 | 34 Ų | 34 | 28% | 0.278 | 19% | 0.19 | S | C | . | . | trans | 85.7 | 179.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 410 | R | 98.3 | Very high | 98.5 | Very high | 138 Ų | 138 | 31.1 Ų | 31.1 | 52% | 0.521 | 17% | 0.172 | S | C | . | . | trans | -159.9 | 154.9 | -179.5 | 59.6 | -162.2 | 180 | -105.8 | -2.3 | 110.5 | P399 F400 Q419 | P399-R410 HydrophobicContact CB-CB 3.94Å; P399-R410 HydrophobicContact CB-CG 4.05Å; F400-R410 CarbonylContact O-C 3.54Å; F400-R410 VanDerWaalsContact O-CA 3.23Å; F400-R410 WeakPolarHBondContact O-CA 3.22Å; R410-Q419 WeakPolarHBondContact O-CB 3.44Å; R410-Q419 WeakPolarHBondContact O-CG 2.99Å | ||
| 411 | Y | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -144 | -164.1 | 175.9 | 81 | -67.1 | 0 | 0 | 0 | 111.4 | Q121 P122 F183 E208 F400 T416 | Q121-Y411 HydrophobicContact CB-CE2 4.1Å; Q121-Y411 HydrophobicContact CG-CD2 4.4Å; Q121-Y411 HydrophobicContact CG-CE2 3.84Å; P122-Y411 HydrophobicContact CG-CD2 4.49Å; P122-Y411 HydrophobicContact CG-CE2 4.3Å; F183-Y411 HydrophobicContact CE2-CD1 4.23Å; F183-Y411 HydrophobicContact CE2-CD2 4.37Å; F183-Y411 AromaticContact CE2-CG 3.95Å; F183-Y411 HydrophobicContact CE2-CG 3.95Å; F183-Y411 AromaticContact CZ-CD1 3.63Å; F183-Y411 HydrophobicContact CZ-CD1 3.63Å; F183-Y411 HydrophobicContact CZ-CD2 4.02Å; F183-Y411 AromaticContact CZ-CE1 3.92Å; F183-Y411 HydrophobicContact CZ-CE1 3.92Å; F183-Y411 HydrophobicContact CZ-CE2 4.36Å; F183-Y411 AromaticContact CZ-CG 3.69Å; F183-Y411 HydrophobicContact CZ-CG 3.69Å; E208-Y411 HydrophobicContact CG-CD1 4.12Å; E208-Y411 HydrophobicContact CG-CE1 3.79Å; E208-Y411 WeakPolarHBondContact OE1-CD1 3.48Å; F400-Y411 HydrophobicContact CD1-CD1 4.05Å; F400-Y411 AromaticContact CD1-CE1 3.34Å; F400-Y411 HydrophobicContact CD1-CE1 3.34Å; F400-Y411 AromaticContact CD1-CZ 3.9Å; F400-Y411 AromaticContact CE1-CE1 3.87Å; F400-Y411 HydrophobicContact CE1-CE1 3.87Å; F400-Y411 HydrophobicContact CG-CE1 4.45Å; F400-Y411 PolarHBondContact N-O 2.71Å; F400-Y411 PolarHBondContact O-N 3.45Å; Y411-T416 WeakPolarHBondContact CB-OG1 3.46Å |
| 412 | H | 98 | Very high | 98.6 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 85.5 | 134.8 | -165.9 | -64.5 | -153.9 | 0 | 0 | 0 | 114.3 | E68 Q121 Y393 F400 K414 H415 T416 | E68-H412 WeakPolarHBondContact OE1-CA 3.49Å; Q121-H412 PolarHBondContact NE2-CD2 3.05Å; Q121-H412 PolarHBondContact NE2-CE1 3.32Å; Q121-H412 PolarHBondContact NE2-NE2 3.15Å; Q121-H412 VanDerWaalsContact NE2-NE2 3.16Å; Y393-H412 AromaticContact CD2-CE1 3.54Å; Y393-H412 AromaticContact CD2-NE2 3.95Å; Y393-H412 AromaticContact CE2-CE1 3.45Å; Y393-H412 VanDerWaalsContact CE2-CE1 3.45Å; Y393-H412 WeakPolarHBondContact CE2-CE1 3.34Å; Y393-H412 AromaticContact CE2-NE2 3.48Å; Y393-H412 WeakPolarHBondContact CE2-NE2 3.48Å; Y393-H412 AromaticContact CG-CE1 3.99Å; Y393-H412 AromaticContact CZ-CE1 3.81Å; Y393-H412 AromaticContact CZ-NE2 3.93Å; Y393-H412 PolarHBondContact O-CE1 3.42Å; Y393-H412 PolarHBondContact O-ND1 2.99Å; F400-H412 AromaticContact CD1-NE2 3.64Å; F400-H412 AromaticContact CG-NE2 3.81Å; H412-K414 PolarHBondContact O-N 3.35Å; H412-H415 WeakPolarHBondContact O-CA 3.47Å; H412-H415 VanDerWaalsContact O-CB 3.23Å; H412-H415 WeakPolarHBondContact O-CB 3.24Å; H412-H415 PolarHBondContact O-CD2 3Å; H412-H415 PolarHBondContact O-N 2.74Å; H412-T416 VanDerWaalsContact CA-OG1 3.29Å; H412-T416 WeakPolarHBondContact CA-OG1 3.49Å; H412-T416 PolarHBondContact N-OG1 3.43Å; H412-T416 PolarHBondContact O-N 3.36Å |
| 413 | G | 97.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | 44.9 | -122 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E68 H415 T416 F417 | E68-G413 VanDerWaalsContact CD-N 3.32Å; E68-G413 PolarHBondContact OE1-N 2.94Å; E68-G413 PolarHBondContact OE2-N 3.15Å; G413-H415 PolarHBondContact O-N 2.87Å; G413-T416 PolarHBondContact O-N 3.31Å; G413-F417 PolarHBondContact O-N 2.99Å |
| 414 | K | 98.4 | Very high | 98.6 | Very high | 70 Ų | 70 | 40 Ų | 40 | 30% | 0.304 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.9 | -29.7 | 179.2 | -170.7 | -176 | -178.3 | -51.7 | 0 | 112.2 | W79 H412 F417 D418 | W79-K414 HydrophobicContact CD2-CB 4.39Å; W79-K414 HydrophobicContact CD2-CG 4.27Å; W79-K414 HydrophobicContact CG-CG 4.23Å; W79-K414 HydrophobicContact CZ2-CB 3.84Å; H412-K414 PolarHBondContact O-N 3.35Å; K414-F417 WeakPolarHBondContact O-CB 3.47Å; K414-F417 PolarHBondContact O-N 2.91Å; K414-D418 IonicContact NZ-OD1 3.98Å; K414-D418 PolarHBondContact NZ-OD1 2.84Å; K414-D418 IonicContact NZ-OD2 2.71Å; K414-D418 PolarHBondContact NZ-OD2 3.09Å; K414-D418 PolarHBondContact O-N 3.41Å |
| 415 | H | 98.8 | Very high | 98.6 | Very high | 45 Ų | 45 | 41.8 Ų | 41.8 | 21% | 0.208 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68 | -37.2 | -178.9 | -53.1 | -74.4 | 0 | 0 | 0 | 111 | S397 P399 H412 G413 D418 Q419 | S397-H415 PolarHBondContact O-NE2 3.32Å; P399-H415 HydrophobicContact CB-CB 4.39Å; H412-H415 WeakPolarHBondContact O-CA 3.47Å; H412-H415 VanDerWaalsContact O-CB 3.23Å; H412-H415 WeakPolarHBondContact O-CB 3.24Å; H412-H415 PolarHBondContact O-CD2 3Å; H412-H415 PolarHBondContact O-N 2.74Å; G413-H415 PolarHBondContact O-N 2.87Å; H415-D418 PolarHBondContact O-N 3.3Å; H415-Q419 WeakPolarHBondContact O-CB 3.36Å; H415-Q419 PolarHBondContact O-N 3.06Å |
| 416 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 171.6 | -37.8 | 0 | 0 | 0 | 0 | 111.3 | Y411 H412 G413 D418 Q419 L420 | Y411-T416 WeakPolarHBondContact CB-OG1 3.46Å; H412-T416 VanDerWaalsContact CA-OG1 3.29Å; H412-T416 WeakPolarHBondContact CA-OG1 3.49Å; H412-T416 PolarHBondContact N-OG1 3.43Å; H412-T416 PolarHBondContact O-N 3.36Å; G413-T416 PolarHBondContact O-N 3.31Å; T416-D418 PolarHBondContact O-N 3.11Å; T416-Q419 PolarHBondContact O-N 2.78Å; T416-L420 HydrophobicContact CG2-CD1 3.98Å; T416-L420 WeakPolarHBondContact O-CB 3.3Å; T416-L420 PolarHBondContact O-N 2.78Å |
| 417 | F | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.5 | -48.1 | 177.5 | 175.6 | -84.4 | 0 | 0 | 0 | 111.4 | L76 W79 A80 P100 A128 A129 G413 K414 S421 | L76-F417 HydrophobicContact CD1-CD2 4.24Å; L76-F417 HydrophobicContact CD1-CE2 3.86Å; W79-F417 HydrophobicContact CB-CD1 3.86Å; W79-F417 HydrophobicContact CB-CD2 4.2Å; W79-F417 HydrophobicContact CB-CE1 3.84Å; W79-F417 HydrophobicContact CB-CE2 4.16Å; W79-F417 HydrophobicContact CB-CG 4.06Å; W79-F417 HydrophobicContact CB-CZ 4Å; W79-F417 HydrophobicContact CD2-CB 4.45Å; W79-F417 HydrophobicContact CD2-CG 4.45Å; W79-F417 HydrophobicContact CE3-CB 3.8Å; W79-F417 HydrophobicContact CE3-CD2 4.04Å; W79-F417 AromaticContact CE3-CG 3.95Å; W79-F417 HydrophobicContact CE3-CG 3.95Å; W79-F417 HydrophobicContact CZ3-CB 4.23Å; W79-F417 VanDerWaalsContact O-CE1 3.24Å; W79-F417 WeakPolarHBondContact O-CE1 3.22Å; A80-F417 HydrophobicContact CB-CZ 4.14Å; P100-F417 HydrophobicContact CB-CE1 3.8Å; P100-F417 HydrophobicContact CB-CZ 4.02Å; P100-F417 HydrophobicContact CG-CE1 4.19Å; A128-F417 HydrophobicContact CB-CD2 4.19Å; A128-F417 WeakPolarHBondContact O-CE2 3.43Å; A129-F417 HydrophobicContact CB-CD2 4.22Å; A129-F417 HydrophobicContact CB-CE2 4.47Å; G413-F417 PolarHBondContact O-N 2.99Å; K414-F417 WeakPolarHBondContact O-CB 3.47Å; K414-F417 PolarHBondContact O-N 2.91Å; F417-S421 VanDerWaalsContact O-CB 3.29Å; F417-S421 WeakPolarHBondContact O-CB 3.19Å; F417-S421 PolarHBondContact O-N 2.87Å; F417-S421 PolarHBondContact O-OG 3.22Å |
| 418 | D | 98.8 | Very high | 98.4 | Very high | 38 Ų | 38 | 47.6 Ų | 47.6 | 20% | 0.203 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.5 | -43 | 179.4 | -73.6 | -13.1 | 0 | 0 | 0 | 111.5 | R83 K414 H415 T416 L420 S421 H423 | R83-D418 IonicContact CZ-OD1 2.66Å; R83-D418 IonicContact NH1-OD1 3.16Å; R83-D418 PolarHBondContact NH1-OD1 3.36Å; R83-D418 IonicContact NH1-OD2 3.83Å; R83-D418 IonicContact NH2-OD1 3.72Å; R83-D418 PolarHBondContact NH2-OD1 3.19Å; K414-D418 IonicContact NZ-OD1 3.98Å; K414-D418 PolarHBondContact NZ-OD1 2.84Å; K414-D418 IonicContact NZ-OD2 2.71Å; K414-D418 PolarHBondContact NZ-OD2 3.09Å; K414-D418 PolarHBondContact O-N 3.41Å; H415-D418 PolarHBondContact O-N 3.3Å; T416-D418 PolarHBondContact O-N 3.11Å; D418-L420 VanDerWaalsContact C-N 3.27Å; D418-L420 PolarHBondContact O-N 2.81Å; D418-S421 PolarHBondContact O-N 2.96Å; D418-S421 VanDerWaalsContact O-O 3.05Å; D418-H423 WeakPolarHBondContact CB-NE2 3.37Å; D418-H423 IonicContact OD1-CE1 2.6Å; D418-H423 PolarHBondContact OD1-CE1 3.45Å; D418-H423 IonicContact OD1-NE2 2.7Å; D418-H423 PolarHBondContact OD1-NE2 3.04Å |
| 419 | Q | 98.7 | Very high | 98.2 | Very high | 50 Ų | 50 | 48.1 Ų | 48.1 | 23% | 0.234 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.7 | -32.5 | -179.6 | -174.3 | 65.3 | 41.4 | 0 | 0 | 112.5 | T206 R410 H415 T416 | T206-Q419 WeakPolarHBondContact OG1-CG 3.3Å; T206-Q419 PolarHBondContact OG1-NE2 3.26Å; R410-Q419 WeakPolarHBondContact O-CB 3.44Å; R410-Q419 WeakPolarHBondContact O-CG 2.99Å; H415-Q419 WeakPolarHBondContact O-CB 3.36Å; H415-Q419 PolarHBondContact O-N 3.06Å; T416-Q419 PolarHBondContact O-N 2.78Å |
| 420 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 18.4 | 179.2 | -59.8 | -179.6 | 0 | 0 | 0 | 113.1 | V106 A126 A129 N131 H181 T416 D418 | V106-L420 HydrophobicContact CG1-CD2 4.15Å; V106-L420 HydrophobicContact CG2-CD2 4.29Å; A126-L420 HydrophobicContact CB-CD1 3.77Å; A129-L420 HydrophobicContact CB-CB 4.13Å; A129-L420 WeakPolarHBondContact CB-O 3.15Å; N131-L420 PolarHBondContact ND2-O 3.26Å; H181-L420 HydrophobicContact CB-CD2 4.16Å; H181-L420 WeakPolarHBondContact CD2-CD2 3.38Å; T416-L420 HydrophobicContact CG2-CD1 3.98Å; T416-L420 WeakPolarHBondContact O-CB 3.3Å; T416-L420 PolarHBondContact O-N 2.78Å; D418-L420 VanDerWaalsContact C-N 3.27Å; D418-L420 PolarHBondContact O-N 2.81Å |
| 421 | S | 98.9 | Very high | 97.7 | Very high | 10 Ų | 10 | 52.5 Ų | 52.5 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 147 | 171.4 | -60.3 | 0 | 0 | 0 | 0 | 110.4 | E101 A129 F417 D418 | E101-S421 CarbonylContact O-C 3.53Å; E101-S421 VanDerWaalsContact O-CA 3.31Å; E101-S421 WeakPolarHBondContact O-CA 3.06Å; A129-S421 WeakPolarHBondContact CB-OG 3.42Å; F417-S421 VanDerWaalsContact O-CB 3.29Å; F417-S421 WeakPolarHBondContact O-CB 3.19Å; F417-S421 PolarHBondContact O-N 2.87Å; F417-S421 PolarHBondContact O-OG 3.22Å; D418-S421 PolarHBondContact O-N 2.96Å; D418-S421 VanDerWaalsContact O-O 3.05Å |
| 422 | H | 98.8 | Very high | 97.1 | Very high | 92 Ų | 92 | 54.5 Ų | 54.5 | 43% | 0.426 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 129.3 | 160.9 | 175.2 | -127.7 | 0 | 0 | 0 | 109.6 | P100 E101 L103 R424 | P100-H422 CarbonylContact C-O 3.49Å; P100-H422 WeakPolarHBondContact CA-O 3.39Å; E101-H422 HydrophobicContact CG-CB 3.89Å; E101-H422 PolarHBondContact N-O 2.86Å; E101-H422 PolarHBondContact O-N 3.32Å; E101-H422 IonicContact OE1-CE1 3.99Å; E101-H422 IonicContact OE1-CG 2.76Å; E101-H422 IonicContact OE1-ND1 3.65Å; E101-H422 PolarHBondContact OE1-ND1 3.39Å; L103-H422 HydrophobicContact CD2-CB 3.86Å; H422-R424 PolarHBondContact O-N 3.19Å |
| 423 | H | 98.6 | Very high | 96.4 | Very high | 62 Ų | 62 | 58.8 Ų | 58.8 | 29% | 0.287 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 81.8 | 176.2 | -77.6 | -57 | 0 | 0 | 0 | 110.6 | R83 I98 D418 A425 | R83-H423 VanDerWaalsContact CZ-CE1 3.41Å; R83-H423 PolarHBondContact NH1-CE1 3.29Å; R83-H423 PolarHBondContact NH2-CE1 3.49Å; I98-H423 HydrophobicContact CG2-CB 3.59Å; D418-H423 WeakPolarHBondContact CB-NE2 3.37Å; D418-H423 IonicContact OD1-CE1 2.6Å; D418-H423 PolarHBondContact OD1-CE1 3.45Å; D418-H423 IonicContact OD1-NE2 2.7Å; D418-H423 PolarHBondContact OD1-NE2 3.04Å; H423-A425 PolarHBondContact O-N 2.91Å |
| 424 | R | 98.6 | Very high | 96 | Very high | 107 Ų | 107 | 63.1 Ų | 63.1 | 40% | 0.404 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 119.4 | -174.7 | -169.9 | 170.7 | 71.6 | -170.5 | 8.8 | 111.9 | I98 L99 E101 H422 | I98-R424 CarbonylContact C-O 3.59Å; I98-R424 WeakPolarHBondContact CA-O 3.36Å; L99-R424 PolarHBondContact N-O 2.9Å; L99-R424 WeakPolarHBondContact O-CB 3.48Å; L99-R424 PolarHBondContact O-N 3.28Å; E101-R424 WeakPolarHBondContact OE1-CD 3.39Å; E101-R424 IonicContact OE1-NH1 3.06Å; E101-R424 IonicContact OE2-CZ 3.46Å; E101-R424 IonicContact OE2-NE 2.63Å; E101-R424 PolarHBondContact OE2-NE 3.45Å; E101-R424 IonicContact OE2-NH1 3.8Å; E101-R424 PolarHBondContact OE2-NH1 3.11Å; E101-R424 IonicContact OE2-NH2 3.16Å; H422-R424 PolarHBondContact O-N 3.19Å |
| 425 | A | 98.4 | Very high | 95.2 | Very high | 88 Ų | 88 | 64.6 Ų | 64.6 | 73% | 0.727 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 129.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | H423 | H423-A425 PolarHBondContact O-N 2.91Å |
| 426 | C | 98.1 | Very high | 94.3 | Very high | 16 Ų | 16 | 67.8 Ų | 67.8 | 11% | 0.108 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123.6 | 179.2 | -62.6 | 0 | 0 | 0 | 0 | 110.2 | V96 Y97 | V96-C426 WeakPolarHBondContact CA-O 3.33Å; Y97-C426 HydrophobicContact CD1-CB 4.19Å; Y97-C426 HydrophobicContact CD2-CB 3.83Å; Y97-C426 HydrophobicContact CE1-CB 3.85Å; Y97-C426 HydrophobicContact CE2-CB 3.46Å; Y97-C426 VanDerWaalsContact CE2-CB 3.46Å; Y97-C426 HydrophobicContact CG-CB 4.18Å; Y97-C426 VanDerWaalsContact CZ-CB 3.47Å; Y97-C426 PolarHBondContact N-O 3.32Å; Y97-C426 VanDerWaalsContact N-O 3.07Å; Y97-C426 PolarHBondContact O-N 3.4Å |
| 427 | L | 96.9 | Very high | 93.6 | Very high | 88 Ų | 88 | 69 Ų | 69 | 46% | 0.461 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 107.3 | 172.3 | 173.1 | 64.5 | 0 | 0 | 0 | 108.3 | T91 D94 Q95 V96 K429 | T91-L427 HydrophobicContact CG2-CD1 4.04Å; T91-L427 HydrophobicContact CG2-CD2 4.36Å; D94-L427 HydrophobicContact CB-CD1 3.54Å; Q95-L427 CarbonylContact O-C 3.49Å; Q95-L427 WeakPolarHBondContact O-CA 3.39Å; V96-L427 HydrophobicContact CG2-CD1 3.65Å; L427-K429 HydrophobicContact CG-CG 4.19Å |
| 428 | I | 96.7 | Very high | 92.9 | Very high | 83 Ų | 83 | 72.9 Ų | 72.9 | 43% | 0.426 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 110.7 | -179.6 | -43.4 | -58.6 | 0 | 0 | 0 | 108.4 | Q95 Y97 | Q95-I428 HydrophobicContact CB-CB 4.06Å; Q95-I428 HydrophobicContact CB-CG1 4.34Å; Q95-I428 PolarHBondContact N-O 2.84Å; Q95-I428 PolarHBondContact O-N 2.79Å; Y97-I428 HydrophobicContact CE1-CG1 4.11Å |
| 429 | K | 94.2 | Very high | 92 | Very high | 91 Ų | 91 | 72.5 Ų | 72.5 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | trans | -98 | 144.9 | 176.2 | -56.2 | -168.2 | 64.5 | 63.2 | 0 | 110.1 | D94 L427 | D94-K429 HydrophobicContact CB-CG 4.47Å; D94-K429 IonicContact OD1-NZ 3.47Å; D94-K429 PolarHBondContact OD1-NZ 3.41Å; D94-K429 IonicContact OD2-NZ 2.92Å; D94-K429 PolarHBondContact OD2-NZ 2.92Å; L427-K429 HydrophobicContact CG-CG 4.19Å | ||
| 430 | S | 93.4 | Very high | 91.2 | Very high | 78 Ų | 78 | 77.2 Ų | 77.2 | 55% | 0.545 | 42% | 0.415 | S | S | . | . | trans | -77.1 | 161.2 | 162.9 | 79.5 | 0 | 0 | 0 | 0 | 110.4 | G432 | S430-G432 PolarHBondContact O-N 2.63Å; S430-G432 PolarHBondContact OG-N 2.89Å; S430-G432 VanDerWaalsContact OG-N 3.16Å | ||
| 431 | L | 92.8 | Very high | 90.6 | Very high | 179 Ų | 179 | 80.3 Ų | 80.3 | 94% | 0.937 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -77.1 | 4.2 | 168.7 | -63.4 | 177.3 | 0 | 0 | 0 | 113.1 | ||
| 432 | G | 87.8 | Confident | 89.9 | Confident | 42 Ų | 42 | 85 Ų | 85 | 43% | 0.433 | 46% | 0.457 | S | S | . | . | trans | -81.3 | 168 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S430 E434 | S430-G432 PolarHBondContact O-N 2.63Å; S430-G432 PolarHBondContact OG-N 2.89Å; S430-G432 VanDerWaalsContact OG-N 3.16Å; G432-E434 VanDerWaalsContact C-N 3.28Å; G432-E434 PolarHBondContact O-N 3.02Å | ||
| 433 | M | 82.4 | Confident | 89.5 | Confident | 90 Ų | 90 | 85.4 Ų | 85.4 | 44% | 0.443 | 47% | 0.468 | S | S | . | . | trans | 58.9 | 31.5 | 176.9 | -54.8 | 179.8 | -68 | 0 | 0 | 114.9 | T93 C435 I436 | T93-M433 HydrophobicContact CG2-CE 3.82Å; T93-M433 HydrophobicContact CG2-SD 4.43Å; T93-M433 WeakPolarHBondContact OG1-CE 3.41Å; M433-C435 PolarHBondContact O-N 2.85Å; M433-C435 VanDerWaalsContact O-N 3.08Å; M433-I436 HydrophobicContact CB-CD1 3.72Å; M433-I436 HydrophobicContact CB-CG1 4.15Å; M433-I436 HydrophobicContact CG-CD1 4.33Å; M433-I436 WeakPolarHBondContact O-CB 3.47Å; M433-I436 PolarHBondContact O-N 2.95Å; M433-I436 HydrophobicContact SD-CD1 4.04Å | ||
| 434 | E | 88.7 | Confident | 88.6 | Confident | 94 Ų | 94 | 87 Ų | 87 | 44% | 0.439 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.3 | -26.6 | -178.5 | -176.2 | 60.6 | -177.9 | 0 | 0 | 113.5 | G432 I436 N437 Y441 | G432-E434 VanDerWaalsContact C-N 3.28Å; G432-E434 PolarHBondContact O-N 3.02Å; E434-I436 PolarHBondContact O-N 3.48Å; E434-N437 WeakPolarHBondContact O-CB 3.47Å; E434-N437 PolarHBondContact O-N 2.96Å; E434-N437 PolarHBondContact OE2-ND2 3.05Å; E434-Y441 VanDerWaalsContact CD-OH 3.31Å; E434-Y441 WeakPolarHBondContact OE1-CE2 3.21Å; E434-Y441 PolarHBondContact OE1-OH 3.15Å; E434-Y441 PolarHBondContact OE2-OH 3Å |
| 435 | C | 82.5 | Confident | 88 | Confident | 101 Ų | 101 | 85.2 Ų | 85.2 | 68% | 0.682 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -58.6 | -29.3 | 174.6 | 62.7 | 0 | 0 | 0 | 0 | 113.5 | M433 N437 M438 | M433-C435 PolarHBondContact O-N 2.85Å; M433-C435 VanDerWaalsContact O-N 3.08Å; C435-N437 PolarHBondContact O-N 3.49Å; C435-M438 VanDerWaalsContact O-CB 3.31Å; C435-M438 WeakPolarHBondContact O-CB 3.25Å; C435-M438 WeakPolarHBondContact O-CG 3.46Å; C435-M438 PolarHBondContact O-N 3.34Å |
| 436 | I | 80.2 | Confident | 87.1 | Confident | 113 Ų | 113 | 92.6 Ų | 92.6 | 58% | 0.579 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.7 | -32.7 | 176.5 | -58.9 | 180 | 0 | 0 | 0 | 110.3 | M433 E434 M438 | M433-I436 HydrophobicContact CB-CD1 3.72Å; M433-I436 HydrophobicContact CB-CG1 4.15Å; M433-I436 HydrophobicContact CG-CD1 4.33Å; M433-I436 WeakPolarHBondContact O-CB 3.47Å; M433-I436 PolarHBondContact O-N 2.95Å; M433-I436 HydrophobicContact SD-CD1 4.04Å; E434-I436 PolarHBondContact O-N 3.48Å; I436-M438 PolarHBondContact O-N 3.38Å |
| 437 | N | 84.1 | Confident | 86.2 | Confident | 24 Ų | 24 | 94.4 Ų | 94.4 | 13% | 0.128 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -74.6 | -13 | -179.8 | -64.1 | -38 | 0 | 0 | 0 | 113.1 | E434 C435 A439 R440 Y441 | E434-N437 WeakPolarHBondContact O-CB 3.47Å; E434-N437 PolarHBondContact O-N 2.96Å; E434-N437 PolarHBondContact OE2-ND2 3.05Å; C435-N437 PolarHBondContact O-N 3.49Å; N437-A439 PolarHBondContact O-N 3.01Å; N437-A439 VanDerWaalsContact O-N 3.1Å; N437-R440 HydrophobicContact CB-CG 4.32Å; N437-R440 VanDerWaalsContact CG-NH2 3.25Å; N437-R440 PolarHBondContact ND2-NH2 2.91Å; N437-R440 WeakPolarHBondContact O-CG 3.38Å; N437-R440 PolarHBondContact O-N 3.47Å; N437-R440 VanDerWaalsContact OD1-CZ 3.24Å; N437-R440 PolarHBondContact OD1-NE 3.43Å; N437-R440 PolarHBondContact OD1-NH2 3.03Å; N437-Y441 HydrophobicContact CB-CD2 4.2Å; N437-Y441 HydrophobicContact CB-CE1 4Å; N437-Y441 HydrophobicContact CB-CE2 3.41Å; N437-Y441 VanDerWaalsContact CB-CE2 3.41Å; N437-Y441 VanDerWaalsContact CB-OH 3.27Å; N437-Y441 WeakPolarHBondContact CB-OH 3.2Å; N437-Y441 PolarHBondContact ND2-OH 3.36Å; N437-Y441 WeakPolarHBondContact O-CD2 3.49Å; N437-Y441 VanDerWaalsContact O-CG 3.31Å; N437-Y441 PolarHBondContact O-N 3.41Å |
| 438 | M | 83.6 | Confident | 85.2 | Confident | 85 Ų | 85 | 92.7 Ų | 92.7 | 42% | 0.419 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.7 | 177.4 | -68.5 | -59.7 | -59.7 | 0 | 0 | 113.3 | C435 I436 R440 Y441 | C435-M438 VanDerWaalsContact O-CB 3.31Å; C435-M438 WeakPolarHBondContact O-CB 3.25Å; C435-M438 WeakPolarHBondContact O-CG 3.46Å; C435-M438 PolarHBondContact O-N 3.34Å; I436-M438 PolarHBondContact O-N 3.38Å; M438-R440 VanDerWaalsContact C-N 3.3Å; M438-R440 PolarHBondContact O-N 3.16Å; M438-Y441 PolarHBondContact O-N 3.49Å; M438-Y441 HydrophobicContact SD-CD2 3.92Å |
| 439 | A | 79.6 | Confident | 84.3 | Confident | 29 Ų | 29 | 91.1 Ų | 91.1 | 24% | 0.24 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -28.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N437 Q444 A452 | N437-A439 PolarHBondContact O-N 3.01Å; N437-A439 VanDerWaalsContact O-N 3.1Å; A439-Q444 PolarHBondContact O-NE2 3Å; A439-Q444 VanDerWaalsContact O-NE2 3.08Å; A439-A452 HydrophobicContact CB-CB 4.41Å |
| 440 | R | 81.5 | Confident | 83.6 | Confident | 149 Ų | 149 | 95.7 Ų | 95.7 | 56% | 0.562 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -17.9 | 176.9 | 61.6 | 170.6 | -170.6 | -175.2 | 3.6 | 113.3 | N437 M438 Q444 | N437-R440 HydrophobicContact CB-CG 4.32Å; N437-R440 VanDerWaalsContact CG-NH2 3.25Å; N437-R440 PolarHBondContact ND2-NH2 2.91Å; N437-R440 WeakPolarHBondContact O-CG 3.38Å; N437-R440 PolarHBondContact O-N 3.47Å; N437-R440 VanDerWaalsContact OD1-CZ 3.24Å; N437-R440 PolarHBondContact OD1-NE 3.43Å; N437-R440 PolarHBondContact OD1-NH2 3.03Å; M438-R440 VanDerWaalsContact C-N 3.3Å; M438-R440 PolarHBondContact O-N 3.16Å; R440-Q444 PolarHBondContact O-NE2 3.01Å |
| 441 | Y | 86.1 | Confident | 82.6 | Confident | 66 Ų | 66 | 98.7 Ų | 98.7 | 26% | 0.259 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -79.7 | 142.3 | -177.3 | -62.6 | -29.6 | 0 | 0 | 0 | 114.1 | E434 N437 M438 Q444 | E434-Y441 VanDerWaalsContact CD-OH 3.31Å; E434-Y441 WeakPolarHBondContact OE1-CE2 3.21Å; E434-Y441 PolarHBondContact OE1-OH 3.15Å; E434-Y441 PolarHBondContact OE2-OH 3Å; N437-Y441 HydrophobicContact CB-CD2 4.2Å; N437-Y441 HydrophobicContact CB-CE1 4Å; N437-Y441 HydrophobicContact CB-CE2 3.41Å; N437-Y441 VanDerWaalsContact CB-CE2 3.41Å; N437-Y441 VanDerWaalsContact CB-OH 3.27Å; N437-Y441 WeakPolarHBondContact CB-OH 3.2Å; N437-Y441 PolarHBondContact ND2-OH 3.36Å; N437-Y441 WeakPolarHBondContact O-CD2 3.49Å; N437-Y441 VanDerWaalsContact O-CG 3.31Å; N437-Y441 PolarHBondContact O-N 3.41Å; M438-Y441 PolarHBondContact O-N 3.49Å; M438-Y441 HydrophobicContact SD-CD2 3.92Å; Y441-Q444 PolarHBondContact O-NE2 3.12Å |
| 442 | P | 86.1 | Confident | 81.7 | Confident | 108 Ų | 108 | 91 Ų | 91 | 70% | 0.701 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -64.5 | 158.5 | 166.3 | -21.5 | 34 | 0 | 0 | 0 | 113.4 | ||
| 443 | P | 88.6 | Confident | 81.1 | Confident | 101 Ų | 101 | 96 Ų | 96 | 66% | 0.656 | 47% | 0.466 | S | S | * | . | S | Bend | cis | -69 | 143.8 | -8.8 | 29.8 | -34.3 | 0 | 0 | 0 | 111 | R448 | P443-R448 WeakPolarHBondContact O-CD 3.17Å; P443-R448 PolarHBondContact O-NH1 3.15Å |
| 444 | Q | 81.3 | Confident | 80.6 | Confident | 94 Ų | 94 | 97.9 Ų | 97.9 | 44% | 0.439 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 131.3 | 174.8 | -74.3 | -66.3 | -18.4 | 0 | 0 | 109.6 | A439 R440 Y441 | A439-Q444 PolarHBondContact O-NE2 3Å; A439-Q444 VanDerWaalsContact O-NE2 3.08Å; R440-Q444 PolarHBondContact O-NE2 3.01Å; Y441-Q444 PolarHBondContact O-NE2 3.12Å |
| 445 | D | 84.8 | Confident | 79.6 | Confident | 71 Ų | 71 | 96 Ų | 96 | 38% | 0.38 | 47% | 0.474 | S | S | . | . | trans | -125.1 | 168.8 | 173.5 | 68.8 | 48.9 | 0 | 0 | 0 | 109.9 | S447 R448 A449 | D445-S447 PolarHBondContact O-N 3Å; D445-S447 VanDerWaalsContact O-N 3.16Å; D445-S447 VanDerWaalsContact OD1-CA 3.25Å; D445-S447 WeakPolarHBondContact OD1-CA 3.29Å; D445-S447 WeakPolarHBondContact OD1-CB 3.47Å; D445-S447 PolarHBondContact OD1-N 3.13Å; D445-S447 PolarHBondContact OD1-OG 3.26Å; D445-R448 PolarHBondContact O-N 3.35Å; D445-R448 PolarHBondContact OD1-N 3.03Å; D445-R448 IonicContact OD2-NE 3.53Å; D445-R448 PolarHBondContact OD2-NE 2.91Å; D445-A449 WeakPolarHBondContact O-CB 3.35Å; D445-A449 PolarHBondContact O-N 2.77Å | ||
| 446 | R | 80.1 | Confident | 78.9 | Confident | 242 Ų | 242 | 97.3 Ų | 97.3 | 91% | 0.913 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -55.9 | -33.8 | -179.5 | -74.7 | -174.4 | 177.2 | -169.8 | 0.1 | 112.8 | R450 | R446-R450 WeakPolarHBondContact O-CB 3.22Å; R446-R450 PolarHBondContact O-N 3.2Å |
| 447 | S | 78.5 | Confident | 78.2 | Confident | 55 Ų | 55 | 100.2 Ų | 100.2 | 39% | 0.385 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -73.3 | -41.5 | -179.7 | 85.7 | 0 | 0 | 0 | 0 | 112.1 | D445 R451 | D445-S447 PolarHBondContact O-N 3Å; D445-S447 VanDerWaalsContact O-N 3.16Å; D445-S447 VanDerWaalsContact OD1-CA 3.25Å; D445-S447 WeakPolarHBondContact OD1-CA 3.29Å; D445-S447 WeakPolarHBondContact OD1-CB 3.47Å; D445-S447 PolarHBondContact OD1-N 3.13Å; D445-S447 PolarHBondContact OD1-OG 3.26Å; S447-R451 WeakPolarHBondContact O-CG 3.4Å; S447-R451 PolarHBondContact O-N 2.76Å; S447-R451 PolarHBondContact O-NE 3.33Å; S447-R451 PolarHBondContact OG-NH2 2.8Å |
| 448 | R | 77.1 | Confident | 76.8 | Confident | 52 Ų | 52 | 100.7 Ų | 100.7 | 20% | 0.196 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -70.2 | -45.9 | 177.8 | -68.3 | 179.7 | -172.8 | -160.8 | -4 | 110.6 | P443 D445 R450 R451 A452 | P443-R448 WeakPolarHBondContact O-CD 3.17Å; P443-R448 PolarHBondContact O-NH1 3.15Å; D445-R448 PolarHBondContact O-N 3.35Å; D445-R448 PolarHBondContact OD1-N 3.03Å; D445-R448 IonicContact OD2-NE 3.53Å; D445-R448 PolarHBondContact OD2-NE 2.91Å; R448-R450 VanDerWaalsContact C-N 3.33Å; R448-R450 PolarHBondContact O-N 3.3Å; R448-R451 PolarHBondContact O-N 3.04Å; R448-A452 WeakPolarHBondContact O-CB 3.47Å; R448-A452 PolarHBondContact O-N 3.11Å |
| 449 | A | 77.7 | Confident | 74.9 | Confident | 50 Ų | 50 | 101.5 Ų | 101.5 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D445 R453 | D445-A449 WeakPolarHBondContact O-CB 3.35Å; D445-A449 PolarHBondContact O-N 2.77Å; A449-R453 WeakPolarHBondContact O-CB 3.28Å; A449-R453 PolarHBondContact O-N 3.16Å |
| 450 | R | 79.5 | Confident | 73.5 | Confident | 186 Ų | 186 | 105 Ų | 105 | 70% | 0.702 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.4 | -46.3 | 174.4 | 177.1 | 177.8 | 148.5 | -175 | -6.8 | 112 | R446 R448 R453 Q454 | R446-R450 WeakPolarHBondContact O-CB 3.22Å; R446-R450 PolarHBondContact O-N 3.2Å; R448-R450 VanDerWaalsContact C-N 3.33Å; R448-R450 PolarHBondContact O-N 3.3Å; R450-R453 PolarHBondContact O-N 2.79Å; R450-Q454 WeakPolarHBondContact O-CB 3.28Å; R450-Q454 PolarHBondContact O-N 3.14Å |
| 451 | R | 72.3 | Confident | 71.8 | Confident | 141 Ų | 141 | 101.6 Ų | 101.6 | 53% | 0.532 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 177.3 | -78.3 | -179.2 | -74.6 | -165.1 | -2.5 | 112.1 | S447 R448 R453 Q454 A455 | S447-R451 WeakPolarHBondContact O-CG 3.4Å; S447-R451 PolarHBondContact O-N 2.76Å; S447-R451 PolarHBondContact O-NE 3.33Å; S447-R451 PolarHBondContact OG-NH2 2.8Å; R448-R451 PolarHBondContact O-N 3.04Å; R451-R453 VanDerWaalsContact C-N 3.35Å; R451-R453 PolarHBondContact O-N 3.2Å; R451-Q454 PolarHBondContact O-N 2.92Å; R451-A455 WeakPolarHBondContact O-CB 3.43Å; R451-A455 PolarHBondContact O-N 3.35Å |
| 452 | A | 73.5 | Confident | 69.9 | Low | 19 Ų | 19 | 105.6 Ų | 105.6 | 16% | 0.157 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | A439 R448 Q454 A455 M456 | A439-A452 HydrophobicContact CB-CB 4.41Å; R448-A452 WeakPolarHBondContact O-CB 3.47Å; R448-A452 PolarHBondContact O-N 3.11Å; A452-Q454 VanDerWaalsContact C-N 3.34Å; A452-Q454 PolarHBondContact O-N 2.94Å; A452-A455 PolarHBondContact O-N 2.78Å; A452-M456 HydrophobicContact CB-CE 4.14Å; A452-M456 WeakPolarHBondContact O-CB 3.49Å; A452-M456 WeakPolarHBondContact O-CE 3.49Å; A452-M456 WeakPolarHBondContact O-CG 3.17Å; A452-M456 PolarHBondContact O-N 3.23Å |
| 453 | R | 75.3 | Confident | 67.8 | Low | 147 Ų | 147 | 106.4 Ų | 106.4 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.2 | -38 | 177.2 | -163.1 | 179.5 | -145.6 | 168.7 | 5 | 112.4 | A449 R450 R451 R457 | A449-R453 WeakPolarHBondContact O-CB 3.28Å; A449-R453 PolarHBondContact O-N 3.16Å; R450-R453 PolarHBondContact O-N 2.79Å; R451-R453 VanDerWaalsContact C-N 3.35Å; R451-R453 PolarHBondContact O-N 3.2Å; R453-R457 HydrophobicContact CG-CG 4.38Å; R453-R457 WeakPolarHBondContact O-CB 3.42Å; R453-R457 VanDerWaalsContact O-CG 3.23Å; R453-R457 WeakPolarHBondContact O-CG 3.34Å; R453-R457 PolarHBondContact O-N 2.9Å |
| 454 | Q | 71.4 | Confident | 66 | Low | 129 Ų | 129 | 105.9 Ų | 105.9 | 60% | 0.603 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.4 | -42.1 | 176.4 | -172.4 | 170.7 | -0.9 | 0 | 0 | 111.7 | R450 R451 A452 M456 R457 S458 | R450-Q454 WeakPolarHBondContact O-CB 3.28Å; R450-Q454 PolarHBondContact O-N 3.14Å; R451-Q454 PolarHBondContact O-N 2.92Å; A452-Q454 VanDerWaalsContact C-N 3.34Å; A452-Q454 PolarHBondContact O-N 2.94Å; Q454-M456 VanDerWaalsContact C-N 3.35Å; Q454-M456 PolarHBondContact O-N 2.89Å; Q454-R457 PolarHBondContact O-N 3.02Å; Q454-S458 PolarHBondContact O-N 3.04Å; Q454-S458 VanDerWaalsContact O-N 3.13Å |
| 455 | A | 68.1 | Low | 64.6 | Low | 55 Ų | 55 | 110.1 Ų | 110.1 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.6 | -36.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R451 A452 S458 | R451-A455 WeakPolarHBondContact O-CB 3.43Å; R451-A455 PolarHBondContact O-N 3.35Å; A452-A455 PolarHBondContact O-N 2.78Å; A455-S458 PolarHBondContact O-OG 3.2Å |
| 456 | M | 67.4 | Low | 63 | Low | 127 Ų | 127 | 109.7 Ų | 109.7 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -79.5 | -24.7 | 176.9 | -71.1 | -174.4 | -74.7 | 0 | 0 | 113.9 | A452 Q454 | A452-M456 HydrophobicContact CB-CE 4.14Å; A452-M456 WeakPolarHBondContact O-CB 3.49Å; A452-M456 WeakPolarHBondContact O-CE 3.49Å; A452-M456 WeakPolarHBondContact O-CG 3.17Å; A452-M456 PolarHBondContact O-N 3.23Å; Q454-M456 VanDerWaalsContact C-N 3.35Å; Q454-M456 PolarHBondContact O-N 2.89Å |
| 457 | R | 65.8 | Low | 61.9 | Low | 174 Ų | 174 | 100.5 Ų | 100.5 | 66% | 0.657 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -92.8 | -14.3 | -178.4 | -78.4 | -177.1 | 172.6 | 178 | -7.8 | 114.6 | R453 Q454 S459 | R453-R457 HydrophobicContact CG-CG 4.38Å; R453-R457 WeakPolarHBondContact O-CB 3.42Å; R453-R457 VanDerWaalsContact O-CG 3.23Å; R453-R457 WeakPolarHBondContact O-CG 3.34Å; R453-R457 PolarHBondContact O-N 2.9Å; Q454-R457 PolarHBondContact O-N 3.02Å; R457-S459 PolarHBondContact O-N 2.74Å; R457-S459 VanDerWaalsContact O-N 3.12Å |
| 458 | S | 53.9 | Low | 61 | Low | 35 Ų | 35 | 104.1 Ų | 104.1 | 25% | 0.245 | 53% | 0.525 | C | S | . | . | trans | -60.4 | 121.2 | -179.8 | 58 | 0 | 0 | 0 | 0 | 109.6 | Q454 A455 L460 C461 | Q454-S458 PolarHBondContact O-N 3.04Å; Q454-S458 VanDerWaalsContact O-N 3.13Å; A455-S458 PolarHBondContact O-OG 3.2Å; S458-L460 PolarHBondContact O-N 3.48Å; S458-C461 PolarHBondContact O-N 2.92Å | ||
| 459 | S | 45 | Very low | 60.1 | Low | 101 Ų | 101 | 105.3 Ų | 105.3 | 71% | 0.706 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -58.2 | -0.8 | 175.8 | 54.8 | 0 | 0 | 0 | 0 | 114.5 | R457 C461 D462 | R457-S459 PolarHBondContact O-N 2.74Å; R457-S459 VanDerWaalsContact O-N 3.12Å; S459-C461 PolarHBondContact O-N 3.42Å; S459-D462 PolarHBondContact O-N 2.92Å |
| 460 | L | 48.7 | Very low | 59.4 | Low | 103 Ų | 103 | 111.1 Ų | 111.1 | 54% | 0.539 | 55% | 0.55 | S | S | . | . | G | 310 helix | trans | -65.8 | -7 | 164.8 | -66.1 | 168.2 | 0 | 0 | 0 | 113.2 | S458 D462 | S458-L460 PolarHBondContact O-N 3.48Å; L460-D462 PolarHBondContact O-N 3.25Å |
| 461 | C | 46.6 | Very low | 58.7 | Low | 77 Ų | 77 | 104.7 Ų | 104.7 | 52% | 0.52 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -70.2 | -9.2 | 169.6 | -137.3 | 0 | 0 | 0 | 0 | 113.3 | S458 S459 | S458-C461 PolarHBondContact O-N 2.92Å; S459-C461 PolarHBondContact O-N 3.42Å |
| 462 | D | 45.6 | Very low | 58.6 | Low | 150 Ų | 150 | 101 Ų | 101 | 80% | 0.802 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -132.5 | 11.1 | -172.1 | -152.4 | 16.2 | 0 | 0 | 0 | 114.1 | S459 L460 | S459-D462 PolarHBondContact O-N 2.92Å; L460-D462 PolarHBondContact O-N 3.25Å |
| 463 | Q | 43 | Very low | 58.3 | Low | 126 Ų | 126 | 103.9 Ų | 103.9 | 59% | 0.589 | 54% | 0.542 | S | S | * | . | trans | -118.7 | 101.2 | 176.4 | -71.1 | -159.7 | -16.2 | 0 | 0 | 112 | ||||
| 464 | S | 50 | Low | 58.2 | Low | 90 Ų | 90 | 99.6 Ų | 99.6 | 63% | 0.629 | 54% | 0.537 | S | S | * | . | trans | -4.9 | 141.3 | 146.9 | 165.3 | 0 | 0 | 0 | 0 | 116 | S466 T467 | S464-S466 PolarHBondContact O-N 3.01Å; S464-T467 PolarHBondContact O-N 2.96Å; S464-T467 PolarHBondContact O-OG1 3.17Å | ||
| 465 | K | 52.8 | Low | 58.6 | Low | 182 Ų | 182 | 97.5 Ų | 97.5 | 79% | 0.791 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -30.3 | -26.9 | 171.4 | -65 | 176 | 178.7 | 175.3 | 0 | 116.5 | V469 | K465-V469 WeakPolarHBondContact O-CB 3.35Å; K465-V469 VanDerWaalsContact O-CG2 3.22Å; K465-V469 WeakPolarHBondContact O-CG2 3.35Å; K465-V469 PolarHBondContact O-N 3.34Å; K465-V469 VanDerWaalsContact O-N 3.16Å |
| 466 | S | 51.5 | Low | 59.2 | Low | 62 Ų | 62 | 100.1 Ų | 100.1 | 43% | 0.434 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -52.3 | -54.6 | 175.5 | -178.5 | 0 | 0 | 0 | 0 | 113.6 | S464 F468 V469 W470 | S464-S466 PolarHBondContact O-N 3.01Å; S466-F468 PolarHBondContact O-N 2.91Å; S466-V469 PolarHBondContact O-N 3.4Å; S466-W470 PolarHBondContact O-N 3Å |
| 467 | T | 55.6 | Low | 59.8 | Low | 50 Ų | 50 | 99.5 Ų | 99.5 | 31% | 0.307 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.3 | -33.2 | -172 | 40.8 | 0 | 0 | 0 | 0 | 113.5 | S464 A471 | S464-T467 PolarHBondContact O-N 2.96Å; S464-T467 PolarHBondContact O-OG1 3.17Å; T467-A471 VanDerWaalsContact O-CB 3.32Å; T467-A471 WeakPolarHBondContact O-CB 3.08Å; T467-A471 PolarHBondContact O-N 3.3Å |
| 468 | F | 59.2 | Low | 60.5 | Low | 131 Ų | 131 | 94 Ų | 94 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.1 | -40.9 | 174.4 | -171.7 | -98.9 | 0 | 0 | 0 | 112 | S466 A471 V472 | S466-F468 PolarHBondContact O-N 2.91Å; F468-A471 PolarHBondContact O-N 3.37Å; F468-V472 HydrophobicContact CD1-CG2 4.18Å; F468-V472 HydrophobicContact CE1-CG2 3.82Å; F468-V472 HydrophobicContact CZ-CG2 4.03Å; F468-V472 WeakPolarHBondContact O-CG2 3.08Å; F468-V472 PolarHBondContact O-N 2.99Å |
| 469 | V | 59 | Low | 61.9 | Low | 77 Ų | 77 | 95.8 Ų | 95.8 | 47% | 0.467 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 175.4 | 170.4 | 0 | 0 | 0 | 0 | 111 | K465 S466 V472 L473 | K465-V469 WeakPolarHBondContact O-CB 3.35Å; K465-V469 VanDerWaalsContact O-CG2 3.22Å; K465-V469 WeakPolarHBondContact O-CG2 3.35Å; K465-V469 PolarHBondContact O-N 3.34Å; K465-V469 VanDerWaalsContact O-N 3.16Å; S466-V469 PolarHBondContact O-N 3.4Å; V469-V472 PolarHBondContact O-N 3.5Å; V469-L473 HydrophobicContact CG1-CD1 3.84Å; V469-L473 WeakPolarHBondContact O-CB 3.37Å; V469-L473 WeakPolarHBondContact O-CG 3.44Å; V469-L473 PolarHBondContact O-N 3.03Å |
| 470 | W | 62.2 | Low | 63.7 | Low | 172 Ų | 172 | 92.9 Ų | 92.9 | 65% | 0.652 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.7 | -37.2 | 175.1 | -76.3 | 114.5 | 0 | 0 | 0 | 112.9 | S466 L473 A474 | S466-W470 PolarHBondContact O-N 3Å; W470-L473 HydrophobicContact CE3-CD1 4.46Å; W470-A474 WeakPolarHBondContact O-CB 3.29Å; W470-A474 PolarHBondContact O-N 3.16Å |
| 471 | A | 64.9 | Low | 65.5 | Low | 51 Ų | 51 | 93.6 Ų | 93.6 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T467 F468 A474 T475 | T467-A471 VanDerWaalsContact O-CB 3.32Å; T467-A471 WeakPolarHBondContact O-CB 3.08Å; T467-A471 PolarHBondContact O-N 3.3Å; F468-A471 PolarHBondContact O-N 3.37Å; A471-A474 PolarHBondContact O-N 3.02Å; A471-T475 WeakPolarHBondContact O-CB 3.46Å; A471-T475 PolarHBondContact O-N 3.37Å; A471-T475 PolarHBondContact O-OG1 3.21Å |
| 472 | V | 70.1 | Confident | 67.2 | Low | 63 Ų | 63 | 95.2 Ų | 95.2 | 38% | 0.382 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | F468 V469 A474 T475 I476 | F468-V472 HydrophobicContact CD1-CG2 4.18Å; F468-V472 HydrophobicContact CE1-CG2 3.82Å; F468-V472 HydrophobicContact CZ-CG2 4.03Å; F468-V472 WeakPolarHBondContact O-CG2 3.08Å; F468-V472 PolarHBondContact O-N 2.99Å; V469-V472 PolarHBondContact O-N 3.5Å; V472-A474 PolarHBondContact O-N 3.39Å; V472-T475 PolarHBondContact O-N 2.96Å; V472-I476 HydrophobicContact CG1-CD1 3.88Å; V472-I476 WeakPolarHBondContact O-CG1 3.32Å; V472-I476 PolarHBondContact O-N 2.94Å |
| 473 | L | 68.8 | Low | 69.1 | Low | 80 Ų | 80 | 92.4 Ų | 92.4 | 42% | 0.419 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 175.6 | -78.1 | 167.1 | 0 | 0 | 0 | 112 | V469 W470 T475 I476 L477 | V469-L473 HydrophobicContact CG1-CD1 3.84Å; V469-L473 WeakPolarHBondContact O-CB 3.37Å; V469-L473 WeakPolarHBondContact O-CG 3.44Å; V469-L473 PolarHBondContact O-N 3.03Å; W470-L473 HydrophobicContact CE3-CD1 4.46Å; L473-T475 VanDerWaalsContact C-N 3.3Å; L473-T475 PolarHBondContact O-N 2.93Å; L473-I476 PolarHBondContact O-N 3.08Å; L473-L477 WeakPolarHBondContact O-CB 3.39Å; L473-L477 PolarHBondContact O-N 3.37Å |
| 474 | A | 72.3 | Confident | 70.8 | Confident | 56 Ų | 56 | 88.6 Ų | 88.6 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | W470 A471 V472 L477 A478 | W470-A474 WeakPolarHBondContact O-CB 3.29Å; W470-A474 PolarHBondContact O-N 3.16Å; A471-A474 PolarHBondContact O-N 3.02Å; V472-A474 PolarHBondContact O-N 3.39Å; A474-L477 PolarHBondContact O-N 3.37Å; A474-A478 VanDerWaalsContact O-CB 3.28Å; A474-A478 WeakPolarHBondContact O-CB 3.48Å; A474-A478 PolarHBondContact O-N 3.36Å |
| 475 | T | 79.7 | Confident | 72.3 | Confident | 86 Ų | 86 | 89.8 Ų | 89.8 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.4 | -41.4 | 177.3 | -50.3 | 0 | 0 | 0 | 0 | 111.4 | A471 V472 L473 A478 C479 | A471-T475 WeakPolarHBondContact O-CB 3.46Å; A471-T475 PolarHBondContact O-N 3.37Å; A471-T475 PolarHBondContact O-OG1 3.21Å; V472-T475 PolarHBondContact O-N 2.96Å; L473-T475 VanDerWaalsContact C-N 3.3Å; L473-T475 PolarHBondContact O-N 2.93Å; T475-A478 PolarHBondContact O-N 2.73Å; T475-C479 WeakPolarHBondContact O-CB 3.5Å; T475-C479 PolarHBondContact O-N 2.93Å; T475-C479 PolarHBondContact O-SG 2.92Å; T475-C479 VanDerWaalsContact O-SG 3.38Å |
| 476 | I | 81.1 | Confident | 73.7 | Confident | 110 Ų | 110 | 85.8 Ų | 85.8 | 56% | 0.564 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.8 | -43.8 | 175.1 | -67.5 | 168.2 | 0 | 0 | 0 | 110.6 | V472 L473 C479 G480 | V472-I476 HydrophobicContact CG1-CD1 3.88Å; V472-I476 WeakPolarHBondContact O-CG1 3.32Å; V472-I476 PolarHBondContact O-N 2.94Å; L473-I476 PolarHBondContact O-N 3.08Å; I476-C479 PolarHBondContact O-N 3.4Å; I476-G480 PolarHBondContact O-N 3.11Å |
| 477 | L | 79.6 | Confident | 75.1 | Confident | 114 Ų | 114 | 86.2 Ų | 86.2 | 60% | 0.597 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.6 | -43.7 | 174.9 | -99.8 | 148 | 0 | 0 | 0 | 112.2 | L473 A474 G480 L481 | L473-L477 WeakPolarHBondContact O-CB 3.39Å; L473-L477 PolarHBondContact O-N 3.37Å; A474-L477 PolarHBondContact O-N 3.37Å; L477-G480 PolarHBondContact O-N 3.25Å; L477-L481 WeakPolarHBondContact O-CB 3.4Å; L477-L481 WeakPolarHBondContact O-CG 3.21Å; L477-L481 PolarHBondContact O-N 3.32Å |
| 478 | A | 80.8 | Confident | 76.3 | Confident | 57 Ų | 57 | 89.6 Ų | 89.6 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A474 T475 L481 L482 | A474-A478 VanDerWaalsContact O-CB 3.28Å; A474-A478 WeakPolarHBondContact O-CB 3.48Å; A474-A478 PolarHBondContact O-N 3.36Å; T475-A478 PolarHBondContact O-N 2.73Å; A478-L481 PolarHBondContact O-N 3.08Å; A478-L482 WeakPolarHBondContact O-CB 3.4Å; A478-L482 PolarHBondContact O-N 3.1Å |
| 479 | C | 83.8 | Confident | 77.2 | Confident | 73 Ų | 73 | 88 Ų | 88 | 49% | 0.493 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 173.6 | -73.6 | 0 | 0 | 0 | 0 | 111.8 | T475 I476 L482 V483 | T475-C479 WeakPolarHBondContact O-CB 3.5Å; T475-C479 PolarHBondContact O-N 2.93Å; T475-C479 PolarHBondContact O-SG 2.92Å; T475-C479 VanDerWaalsContact O-SG 3.38Å; I476-C479 PolarHBondContact O-N 3.4Å; C479-L482 PolarHBondContact O-N 2.85Å; C479-V483 VanDerWaalsContact O-CG2 3.31Å; C479-V483 WeakPolarHBondContact O-CG2 3.47Å; C479-V483 PolarHBondContact O-N 2.83Å |
| 480 | G | 83.4 | Confident | 78 | Confident | 41 Ų | 41 | 89.1 Ų | 89.1 | 42% | 0.423 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | I476 L477 V483 A484 | I476-G480 PolarHBondContact O-N 3.11Å; L477-G480 PolarHBondContact O-N 3.25Å; G480-V483 PolarHBondContact O-N 2.96Å; G480-A484 WeakPolarHBondContact O-CB 3.35Å; G480-A484 PolarHBondContact O-N 3.23Å |
| 481 | L | 85 | Confident | 78.4 | Confident | 117 Ų | 117 | 87.5 Ų | 87.5 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.3 | -40.1 | 174.3 | -80.2 | 163.8 | 0 | 0 | 0 | 111.8 | L477 A478 A484 L485 | L477-L481 WeakPolarHBondContact O-CB 3.4Å; L477-L481 WeakPolarHBondContact O-CG 3.21Å; L477-L481 PolarHBondContact O-N 3.32Å; A478-L481 PolarHBondContact O-N 3.08Å; L481-A484 PolarHBondContact O-N 2.9Å; L481-L485 WeakPolarHBondContact O-CB 3.41Å; L481-L485 PolarHBondContact O-N 3.26Å |
| 482 | L | 83.4 | Confident | 78.2 | Confident | 112 Ų | 112 | 88.4 Ų | 88.4 | 59% | 0.586 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.6 | -43.7 | 176.5 | -160 | 84.6 | 0 | 0 | 0 | 111.3 | A478 C479 L485 I486 | A478-L482 WeakPolarHBondContact O-CB 3.4Å; A478-L482 PolarHBondContact O-N 3.1Å; C479-L482 PolarHBondContact O-N 2.85Å; L482-L485 PolarHBondContact O-N 3.09Å; L482-I486 HydrophobicContact CG-CD1 4.41Å; L482-I486 WeakPolarHBondContact O-CD1 3.32Å; L482-I486 VanDerWaalsContact O-CG1 3.24Å; L482-I486 WeakPolarHBondContact O-CG1 3.31Å; L482-I486 PolarHBondContact O-N 2.73Å |
| 483 | V | 84.4 | Confident | 77.6 | Confident | 91 Ų | 91 | 89.4 Ų | 89.4 | 55% | 0.552 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 175.6 | 172 | 0 | 0 | 0 | 0 | 110.9 | C479 G480 L485 I486 V487 | C479-V483 VanDerWaalsContact O-CG2 3.31Å; C479-V483 WeakPolarHBondContact O-CG2 3.47Å; C479-V483 PolarHBondContact O-N 2.83Å; G480-V483 PolarHBondContact O-N 2.96Å; V483-L485 VanDerWaalsContact C-N 3.33Å; V483-L485 PolarHBondContact O-N 3.41Å; V483-I486 PolarHBondContact O-N 3.11Å; V483-V487 WeakPolarHBondContact O-CG2 3.42Å; V483-V487 PolarHBondContact O-N 3.44Å |
| 484 | A | 78.7 | Confident | 76.6 | Confident | 45 Ų | 45 | 99.7 Ų | 99.7 | 37% | 0.372 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.1 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G480 L481 V487 I488 | G480-A484 WeakPolarHBondContact O-CB 3.35Å; G480-A484 PolarHBondContact O-N 3.23Å; L481-A484 PolarHBondContact O-N 2.9Å; A484-V487 PolarHBondContact O-N 3.18Å; A484-I488 WeakPolarHBondContact O-CG1 3.17Å; A484-I488 PolarHBondContact O-N 2.77Å |
| 485 | L | 81.8 | Confident | 76.8 | Confident | 116 Ų | 116 | 101.9 Ų | 101.9 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.6 | -42 | 177.1 | -141.8 | 108.5 | 0 | 0 | 0 | 111.5 | L481 L482 V483 V487 I488 V489 | L481-L485 WeakPolarHBondContact O-CB 3.41Å; L481-L485 PolarHBondContact O-N 3.26Å; L482-L485 PolarHBondContact O-N 3.09Å; V483-L485 VanDerWaalsContact C-N 3.33Å; V483-L485 PolarHBondContact O-N 3.41Å; L485-V487 VanDerWaalsContact C-N 3.33Å; L485-V487 PolarHBondContact O-N 3.12Å; L485-I488 PolarHBondContact O-N 3.07Å; L485-V489 VanDerWaalsContact O-CG2 3.3Å; L485-V489 WeakPolarHBondContact O-CG2 3.3Å; L485-V489 PolarHBondContact O-N 3.24Å |
| 486 | I | 82.4 | Confident | 76.7 | Confident | 97 Ų | 97 | 102.7 Ų | 102.7 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.1 | -43.3 | 174.8 | -69.4 | 165 | 0 | 0 | 0 | 110.4 | L482 V483 V489 V490 | L482-I486 HydrophobicContact CG-CD1 4.41Å; L482-I486 WeakPolarHBondContact O-CD1 3.32Å; L482-I486 VanDerWaalsContact O-CG1 3.24Å; L482-I486 WeakPolarHBondContact O-CG1 3.31Å; L482-I486 PolarHBondContact O-N 2.73Å; V483-I486 PolarHBondContact O-N 3.11Å; I486-V489 PolarHBondContact O-N 3.28Å; I486-V490 HydrophobicContact CG2-CG2 4.38Å; I486-V490 WeakPolarHBondContact O-CB 3.19Å; I486-V490 WeakPolarHBondContact O-CG2 3.15Å; I486-V490 PolarHBondContact O-N 3.33Å |
| 487 | V | 80 | Confident | 76.4 | Confident | 71 Ų | 71 | 102.3 Ų | 102.3 | 43% | 0.43 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.2 | -43.1 | 177.6 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | V483 A484 L485 V490 M491 | V483-V487 WeakPolarHBondContact O-CG2 3.42Å; V483-V487 PolarHBondContact O-N 3.44Å; A484-V487 PolarHBondContact O-N 3.18Å; L485-V487 VanDerWaalsContact C-N 3.33Å; L485-V487 PolarHBondContact O-N 3.12Å; V487-V490 PolarHBondContact O-N 2.92Å; V487-M491 HydrophobicContact CG1-CG 4.29Å; V487-M491 HydrophobicContact CG1-SD 3.68Å; V487-M491 WeakPolarHBondContact O-CB 3.4Å; V487-M491 WeakPolarHBondContact O-CG 3.31Å; V487-M491 PolarHBondContact O-N 2.67Å |
| 488 | I | 81.4 | Confident | 76.3 | Confident | 121 Ų | 121 | 101.6 Ų | 101.6 | 62% | 0.621 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64 | -43.6 | 178 | -69.3 | 167.6 | 0 | 0 | 0 | 111.3 | A484 L485 V490 M491 G492 | A484-I488 WeakPolarHBondContact O-CG1 3.17Å; A484-I488 PolarHBondContact O-N 2.77Å; L485-I488 PolarHBondContact O-N 3.07Å; I488-V490 VanDerWaalsContact C-N 3.33Å; I488-V490 PolarHBondContact O-N 3.28Å; I488-M491 PolarHBondContact O-N 3.34Å; I488-G492 PolarHBondContact O-N 2.62Å |
| 489 | V | 79.2 | Confident | 76 | Confident | 99 Ų | 99 | 104.4 Ų | 104.4 | 60% | 0.6 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.9 | -38.1 | 178.2 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | L485 I486 A493 | L485-V489 VanDerWaalsContact O-CG2 3.3Å; L485-V489 WeakPolarHBondContact O-CG2 3.3Å; L485-V489 PolarHBondContact O-N 3.24Å; I486-V489 PolarHBondContact O-N 3.28Å; V489-A493 WeakPolarHBondContact O-CB 3.34Å |
| 490 | V | 74.9 | Confident | 75.4 | Confident | 99 Ų | 99 | 106.5 Ų | 106.5 | 60% | 0.6 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74.8 | -33.7 | 178.9 | 172.4 | 0 | 0 | 0 | 0 | 112.3 | I486 V487 I488 | I486-V490 HydrophobicContact CG2-CG2 4.38Å; I486-V490 WeakPolarHBondContact O-CB 3.19Å; I486-V490 WeakPolarHBondContact O-CG2 3.15Å; I486-V490 PolarHBondContact O-N 3.33Å; V487-V490 PolarHBondContact O-N 2.92Å; I488-V490 VanDerWaalsContact C-N 3.33Å; I488-V490 PolarHBondContact O-N 3.28Å |
| 491 | M | 69.9 | Low | 74.9 | Confident | 139 Ų | 139 | 111.1 Ų | 111.1 | 69% | 0.685 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -84.9 | -27.6 | 179.4 | -70.7 | -176.2 | 64.7 | 0 | 0 | 113.9 | V487 I488 A493 | V487-M491 HydrophobicContact CG1-CG 4.29Å; V487-M491 HydrophobicContact CG1-SD 3.68Å; V487-M491 WeakPolarHBondContact O-CB 3.4Å; V487-M491 WeakPolarHBondContact O-CG 3.31Å; V487-M491 PolarHBondContact O-N 2.67Å; I488-M491 PolarHBondContact O-N 3.34Å; M491-A493 VanDerWaalsContact C-N 3.29Å |
| 492 | G | 60.6 | Low | 74.1 | Confident | 70 Ų | 70 | 110.7 Ų | 110.7 | 72% | 0.722 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -5.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | I488 | I488-G492 PolarHBondContact O-N 2.62Š|
| 493 | A | 57.6 | Low | 73.3 | Confident | 84 Ų | 84 | 110.6 Ų | 110.6 | 69% | 0.694 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 20.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V489 M491 | V489-A493 WeakPolarHBondContact O-CB 3.34Å; M491-A493 VanDerWaalsContact C-N 3.29Å |
| 494 | R | 49.2 | Very low | 72.3 | Confident | 295 Ų | 295 | 112.4 Ų | 112.4 | 100% | 1.113 | 63% | 0.631 | S | S | * | * | trans | -108.8 | 0 | 174.1 | -83.8 | -169.4 | 176.6 | -172.5 | -0.4 | 112.3 |
Retrieved 494 of 494 residues in 207.3 ms
(Link to these results)