| 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 | 65.3 | Low | 91.6 | Very high | 128 Ų | 128 | 26.6 Ų | 26.6 | 63% | 0.631 | 15% | 0.148 | S | C | * | . | 0 | 136.6 | 0 | -171.8 | 170.3 | -74.4 | 0 | 0 | 107.9 | V5 I6 E57 | M1-V5 HydrophobicContact CE-CG1 4.13Å; M1-V5 HydrophobicContact CG-CB 3.81Å; M1-V5 HydrophobicContact CG-CG1 3.8Å; M1-V5 HydrophobicContact CG-CG2 4.48Å; M1-V5 HydrophobicContact SD-CB 4.24Å; M1-V5 HydrophobicContact SD-CG1 3.63Å; M1-I6 HydrophobicContact CG-CG1 4.44Å; M1-I6 HydrophobicContact SD-CG1 4.37Å; M1-E57 HydrophobicContact SD-CB 4.48Å; M1-E57 HydrophobicContact SD-CG 4.14Å | |||
| 2 | S | 85.8 | Confident | 92.1 | Very high | 60 Ų | 60 | 25 Ų | 25 | 42% | 0.42 | 14% | 0.139 | S | C | . | . | trans | -90.2 | 163.9 | -176.5 | 40.7 | 0 | 0 | 0 | 0 | 111.8 | D4 V5 I6 | S2-D4 VanDerWaalsContact C-N 3.26Å; S2-D4 WeakPolarHBondContact CB-OD1 3.48Å; S2-D4 PolarHBondContact O-N 3.41Å; S2-D4 PolarHBondContact OG-OD1 3.3Å; S2-V5 PolarHBondContact O-N 3.08Å; S2-I6 PolarHBondContact O-N 3.38Å | ||
| 3 | L | 90.2 | Very high | 92.5 | Very high | 15 Ų | 15 | 27.9 Ų | 27.9 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.8 | -25.9 | -173.3 | -171.3 | 61.3 | 0 | 0 | 0 | 112.6 | I6 T7 F30 L68 M69 A72 G364 I365 | L3-I6 PolarHBondContact O-N 2.88Å; L3-T7 WeakPolarHBondContact O-CB 3.26Å; L3-T7 WeakPolarHBondContact O-CG2 3.18Å; L3-T7 PolarHBondContact O-N 2.95Å; L3-T7 PolarHBondContact O-OG1 3.01Å; L3-F30 HydrophobicContact CD2-CE2 4.29Å; L3-L68 HydrophobicContact CD2-CB 4.46Å; L3-M69 HydrophobicContact CD1-CG 4.42Å; L3-A72 HydrophobicContact CD2-CB 3.92Å; L3-G364 CarbonylContact C-O 3.52Å; L3-G364 VanDerWaalsContact C-O 3.29Å; L3-I365 HydrophobicContact CB-CG2 4.32Å; L3-I365 HydrophobicContact CD2-CG2 3.36Å; L3-I365 HydrophobicContact CG-CG2 3.62Å |
| 4 | D | 93.6 | Very high | 92.9 | Very high | 29 Ų | 29 | 26 Ų | 26 | 16% | 0.155 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.2 | -47.1 | 175.4 | 52.9 | -4.6 | 0 | 0 | 0 | 110.7 | S2 I6 T7 A8 L250 M359 G364 | S2-D4 VanDerWaalsContact C-N 3.26Å; S2-D4 WeakPolarHBondContact CB-OD1 3.48Å; S2-D4 PolarHBondContact O-N 3.41Å; S2-D4 PolarHBondContact OG-OD1 3.3Å; D4-I6 VanDerWaalsContact C-N 3.3Å; D4-I6 PolarHBondContact O-N 3.38Å; D4-T7 WeakPolarHBondContact CA-OG1 3.11Å; D4-T7 PolarHBondContact O-N 2.67Å; D4-T7 PolarHBondContact O-OG1 3.43Å; D4-A8 WeakPolarHBondContact O-CB 3.45Å; D4-A8 PolarHBondContact O-N 2.87Å; D4-L250 HydrophobicContact CB-CD1 3.79Å; D4-L250 HydrophobicContact CB-CD2 4.08Å; D4-M359 HydrophobicContact CB-CE 3.82Å; D4-G364 WeakPolarHBondContact CA-O 3.14Å; D4-G364 VanDerWaalsContact CB-O 3.26Å; D4-G364 WeakPolarHBondContact CB-O 3.28Å; D4-G364 PolarHBondContact N-O 2.9Å |
| 5 | V | 94.1 | Very high | 93.1 | Very high | 22 Ų | 22 | 26.2 Ų | 26.2 | 13% | 0.133 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.2 | -39.5 | 177.7 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | M1 S2 N9 L250 | M1-V5 HydrophobicContact CE-CG1 4.13Å; M1-V5 HydrophobicContact CG-CB 3.81Å; M1-V5 HydrophobicContact CG-CG1 3.8Å; M1-V5 HydrophobicContact CG-CG2 4.48Å; M1-V5 HydrophobicContact SD-CB 4.24Å; M1-V5 HydrophobicContact SD-CG1 3.63Å; S2-V5 PolarHBondContact O-N 3.08Å; V5-N9 WeakPolarHBondContact O-CB 3.47Å; V5-N9 VanDerWaalsContact O-CG 3.27Å; V5-N9 PolarHBondContact O-N 2.88Å; V5-N9 PolarHBondContact O-ND2 3Å; V5-L250 HydrophobicContact CB-CD1 4.34Å; V5-L250 HydrophobicContact CG2-CD1 3.7Å |
| 6 | I | 94.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.7 | -50.2 | 177.6 | -66.8 | 169.3 | 0 | 0 | 0 | 110.5 | M1 S2 L3 D4 N9 F10 L33 E57 L60 | M1-I6 HydrophobicContact CG-CG1 4.44Å; M1-I6 HydrophobicContact SD-CG1 4.37Å; S2-I6 PolarHBondContact O-N 3.38Å; L3-I6 PolarHBondContact O-N 2.88Å; D4-I6 VanDerWaalsContact C-N 3.3Å; D4-I6 PolarHBondContact O-N 3.38Å; I6-N9 PolarHBondContact O-N 3.2Å; I6-F10 VanDerWaalsContact O-CB 3.28Å; I6-F10 WeakPolarHBondContact O-CB 3.21Å; I6-F10 PolarHBondContact O-N 3.09Å; I6-L33 HydrophobicContact CG2-CD1 4.16Å; I6-E57 HydrophobicContact CG1-CG 4.35Å; I6-L60 HydrophobicContact CD1-CD1 3.36Å; I6-L60 HydrophobicContact CD1-CG 4.26Å |
| 7 | T | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 179.1 | 49.6 | 0 | 0 | 0 | 0 | 111 | L3 D4 F10 A11 F30 L33 I365 V366 | L3-T7 WeakPolarHBondContact O-CB 3.26Å; L3-T7 WeakPolarHBondContact O-CG2 3.18Å; L3-T7 PolarHBondContact O-N 2.95Å; L3-T7 PolarHBondContact O-OG1 3.01Å; D4-T7 WeakPolarHBondContact CA-OG1 3.11Å; D4-T7 PolarHBondContact O-N 2.67Å; D4-T7 PolarHBondContact O-OG1 3.43Å; T7-F10 PolarHBondContact O-N 2.67Å; T7-A11 WeakPolarHBondContact O-CB 3.28Å; T7-A11 PolarHBondContact O-N 3.24Å; T7-F30 HydrophobicContact CG2-CB 4Å; T7-F30 HydrophobicContact CG2-CD2 4.22Å; T7-L33 HydrophobicContact CG2-CD1 3.97Å; T7-I365 HydrophobicContact CG2-CB 4.4Å; T7-I365 HydrophobicContact CG2-CG2 4.41Å; T7-V366 PolarHBondContact OG1-N 3.18Å; T7-V366 VanDerWaalsContact OG1-N 3.08Å |
| 8 | A | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.8 | -46.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D4 A11 L12 L250 V366 | D4-A8 WeakPolarHBondContact O-CB 3.45Å; D4-A8 PolarHBondContact O-N 2.87Å; A8-A11 PolarHBondContact O-N 3.23Å; A8-L12 WeakPolarHBondContact O-CG 3.33Å; A8-L12 PolarHBondContact O-N 3.21Å; A8-L250 HydrophobicContact CB-CD1 4.35Å; A8-L250 HydrophobicContact CB-CG 4.39Å; A8-V366 HydrophobicContact CB-CG2 3.89Å |
| 9 | N | 96.3 | Very high | 93.6 | Very high | 35 Ų | 35 | 31.5 Ų | 31.5 | 19% | 0.187 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 177.4 | -79.9 | -20.3 | 0 | 0 | 0 | 112 | V5 I6 A11 R13 G246 | V5-N9 WeakPolarHBondContact O-CB 3.47Å; V5-N9 VanDerWaalsContact O-CG 3.27Å; V5-N9 PolarHBondContact O-N 2.88Å; V5-N9 PolarHBondContact O-ND2 3Å; I6-N9 PolarHBondContact O-N 3.2Å; N9-A11 VanDerWaalsContact C-N 3.28Å; N9-A11 PolarHBondContact O-N 3.21Å; N9-R13 WeakPolarHBondContact O-CB 3.49Å; N9-R13 VanDerWaalsContact O-CG 3.32Å; N9-R13 WeakPolarHBondContact O-CG 3.35Å; N9-R13 PolarHBondContact O-N 3.19Å; N9-R13 PolarHBondContact O-NE 3.09Å; N9-G246 WeakPolarHBondContact OD1-CA 3.38Å; N9-G246 PolarHBondContact OD1-N 2.74Å |
| 10 | F | 96.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.3 | -41.5 | 175.8 | 176.7 | -104.4 | 0 | 0 | 0 | 110.8 | I6 T7 R13 T14 P29 I32 L33 L36 L55 L280 L283 | I6-F10 VanDerWaalsContact O-CB 3.28Å; I6-F10 WeakPolarHBondContact O-CB 3.21Å; I6-F10 PolarHBondContact O-N 3.09Å; T7-F10 PolarHBondContact O-N 2.67Å; F10-R13 PolarHBondContact O-N 2.85Å; F10-T14 WeakPolarHBondContact CZ-OG1 3.15Å; F10-T14 VanDerWaalsContact O-CB 3.32Å; F10-T14 WeakPolarHBondContact O-CB 3.39Å; F10-T14 PolarHBondContact O-N 3.04Å; F10-T14 PolarHBondContact O-OG1 3.37Å; F10-P29 HydrophobicContact CD1-CB 3.83Å; F10-P29 HydrophobicContact CE1-CB 4.48Å; F10-I32 HydrophobicContact CE1-CB 3.96Å; F10-I32 HydrophobicContact CE1-CD1 4.29Å; F10-I32 HydrophobicContact CE1-CG2 3.63Å; F10-I32 HydrophobicContact CZ-CB 4.45Å; F10-I32 HydrophobicContact CZ-CG2 3.62Å; F10-L33 HydrophobicContact CB-CD1 3.98Å; F10-L33 HydrophobicContact CB-CD2 4.36Å; F10-L33 HydrophobicContact CB-CG 4.46Å; F10-L33 HydrophobicContact CD1-CD1 3.97Å; F10-L33 HydrophobicContact CD1-CD2 3.99Å; F10-L33 HydrophobicContact CD1-CG 3.72Å; F10-L33 HydrophobicContact CD2-CD2 3.94Å; F10-L33 HydrophobicContact CE1-CD2 4.29Å; F10-L33 HydrophobicContact CE1-CG 4.11Å; F10-L33 HydrophobicContact CE2-CD2 4.25Å; F10-L33 HydrophobicContact CG-CD1 4.05Å; F10-L33 HydrophobicContact CG-CD2 3.8Å; F10-L33 HydrophobicContact CG-CG 3.98Å; F10-L33 HydrophobicContact CZ-CD2 4.42Å; F10-L36 HydrophobicContact CZ-CD1 4.26Å; F10-L55 HydrophobicContact CD2-CD2 4.14Å; F10-L55 HydrophobicContact CE2-CD2 3.64Å; F10-L280 HydrophobicContact CE2-CD2 4.4Å; F10-L283 HydrophobicContact CE2-CD1 4.1Å |
| 11 | A | 97.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.9 | -47.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T7 A8 N9 R13 T14 Y15 I27 P29 I369 | T7-A11 WeakPolarHBondContact O-CB 3.28Å; T7-A11 PolarHBondContact O-N 3.24Å; A8-A11 PolarHBondContact O-N 3.23Å; N9-A11 VanDerWaalsContact C-N 3.28Å; N9-A11 PolarHBondContact O-N 3.21Å; A11-R13 PolarHBondContact O-N 2.93Å; A11-T14 PolarHBondContact O-N 2.85Å; A11-Y15 WeakPolarHBondContact O-CB 3.28Å; A11-Y15 PolarHBondContact O-N 3.42Å; A11-I27 HydrophobicContact CB-CD1 4.25Å; A11-P29 HydrophobicContact CB-CB 3.54Å; A11-P29 HydrophobicContact CB-CG 3.62Å; A11-I369 HydrophobicContact CB-CG2 3.44Å; A11-I369 VanDerWaalsContact CB-CG2 3.44Å |
| 12 | L | 97.7 | Very high | 94.6 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.2 | -41.2 | 178.3 | -67.5 | 176.8 | 0 | 0 | 0 | 111.9 | A8 Y15 H16 M241 L244 | A8-L12 WeakPolarHBondContact O-CG 3.33Å; A8-L12 PolarHBondContact O-N 3.21Å; L12-Y15 WeakPolarHBondContact O-CB 3.44Å; L12-Y15 PolarHBondContact O-N 2.96Å; L12-H16 PolarHBondContact O-CD2 2.84Å; L12-H16 PolarHBondContact O-N 3.03Å; L12-M241 HydrophobicContact CD2-CE 3.66Å; L12-L244 HydrophobicContact CD1-CB 4.08Å |
| 13 | R | 97 | Very high | 94.9 | Very high | 63 Ų | 63 | 34.1 Ų | 34.1 | 24% | 0.238 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.6 | -41.1 | 174.9 | -70.8 | -174.2 | -69 | 136.6 | -9.9 | 112 | N9 F10 A11 Y15 H16 E17 K54 E57 L283 | N9-R13 WeakPolarHBondContact O-CB 3.49Å; N9-R13 VanDerWaalsContact O-CG 3.32Å; N9-R13 WeakPolarHBondContact O-CG 3.35Å; N9-R13 PolarHBondContact O-N 3.19Å; N9-R13 PolarHBondContact O-NE 3.09Å; F10-R13 PolarHBondContact O-N 2.85Å; A11-R13 PolarHBondContact O-N 2.93Å; R13-Y15 VanDerWaalsContact C-N 3.35Å; R13-H16 PolarHBondContact O-N 3.2Å; R13-E17 WeakPolarHBondContact O-CG 3.35Å; R13-E17 PolarHBondContact O-N 3.15Å; R13-K54 PolarHBondContact NH1-O 3.05Å; R13-K54 PolarHBondContact NH2-O 3.38Å; R13-E57 IonicContact CZ-OE1 3.77Å; R13-E57 IonicContact NH2-OE1 2.82Å; R13-E57 PolarHBondContact NH2-OE1 3.39Å; R13-L283 HydrophobicContact CB-CD2 3.74Å |
| 14 | T | 97.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 174.8 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | F10 A11 H16 E17 A18 F25 I27 I279 | F10-T14 WeakPolarHBondContact CZ-OG1 3.15Å; F10-T14 VanDerWaalsContact O-CB 3.32Å; F10-T14 WeakPolarHBondContact O-CB 3.39Å; F10-T14 PolarHBondContact O-N 3.04Å; F10-T14 PolarHBondContact O-OG1 3.37Å; A11-T14 PolarHBondContact O-N 2.85Å; T14-H16 PolarHBondContact O-N 2.74Å; T14-E17 PolarHBondContact O-N 3.5Å; T14-A18 WeakPolarHBondContact O-CB 3.49Å; T14-A18 PolarHBondContact O-N 2.92Å; T14-F25 HydrophobicContact CG2-CZ 4.26Å; T14-I27 HydrophobicContact CG2-CD1 3.78Å; T14-I279 HydrophobicContact CG2-CG2 4.05Å |
| 15 | Y | 96.9 | Very high | 95.2 | Very high | 29 Ų | 29 | 32.6 Ų | 32.6 | 11% | 0.114 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.2 | -49 | 174.1 | 169.5 | -93.1 | 0 | 0 | 0 | 111.6 | A11 L12 R13 E17 A18 A19 F25 M241 V371 | A11-Y15 WeakPolarHBondContact O-CB 3.28Å; A11-Y15 PolarHBondContact O-N 3.42Å; L12-Y15 WeakPolarHBondContact O-CB 3.44Å; L12-Y15 PolarHBondContact O-N 2.96Å; R13-Y15 VanDerWaalsContact C-N 3.35Å; Y15-E17 PolarHBondContact O-N 3.43Å; Y15-A18 PolarHBondContact O-N 3.06Å; Y15-A19 HydrophobicContact CD2-CB 3.43Å; Y15-A19 VanDerWaalsContact CD2-CB 3.43Å; Y15-A19 HydrophobicContact CE1-CB 4.5Å; Y15-A19 HydrophobicContact CE2-CB 3.3Å; Y15-A19 HydrophobicContact CG-CB 4.09Å; Y15-A19 WeakPolarHBondContact O-CB 3.05Å; Y15-A19 PolarHBondContact O-N 2.99Å; Y15-F25 HydrophobicContact CD2-CB 4.36Å; Y15-F25 AromaticContact CD2-CD1 3.73Å; Y15-F25 HydrophobicContact CD2-CD1 3.73Å; Y15-F25 HydrophobicContact CD2-CE1 4.25Å; Y15-F25 HydrophobicContact CD2-CG 4.12Å; Y15-F25 HydrophobicContact CE2-CB 4.44Å; Y15-M241 HydrophobicContact CD1-CB 4.41Å; Y15-M241 HydrophobicContact CD1-CE 3.43Å; Y15-M241 VanDerWaalsContact CD1-CE 3.43Å; Y15-M241 HydrophobicContact CD2-CE 4.12Å; Y15-M241 HydrophobicContact CE1-CB 3.63Å; Y15-M241 HydrophobicContact CE1-CE 3.55Å; Y15-M241 HydrophobicContact CE1-CG 3.74Å; Y15-M241 HydrophobicContact CE1-SD 4.5Å; Y15-M241 HydrophobicContact CE2-CE 4.23Å; Y15-M241 HydrophobicContact CG-CE 3.74Å; Y15-V371 HydrophobicContact CD2-CG2 4.39Å; Y15-V371 HydrophobicContact CE2-CB 4.41Å; Y15-V371 HydrophobicContact CE2-CG1 3.88Å; Y15-V371 HydrophobicContact CE2-CG2 3.57Å |
| 16 | H | 96.7 | Very high | 95.2 | Very high | 94 Ų | 94 | 31.5 Ų | 31.5 | 44% | 0.435 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.1 | -29.5 | -179.7 | -71.8 | -56.3 | 0 | 0 | 0 | 114 | L12 R13 T14 M241 | L12-H16 PolarHBondContact O-CD2 2.84Å; L12-H16 PolarHBondContact O-N 3.03Å; R13-H16 PolarHBondContact O-N 3.2Å; T14-H16 PolarHBondContact O-N 2.74Å; H16-M241 PolarHBondContact CE1-O 3.29Å; H16-M241 VanDerWaalsContact CE1-O 3.25Å; H16-M241 PolarHBondContact NE2-O 3.01Å |
| 17 | E | 96.1 | Very high | 95.3 | Very high | 64 Ų | 64 | 31.4 Ų | 31.4 | 30% | 0.299 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -90.1 | -21.5 | -178.9 | -67.9 | -55.9 | 153.6 | 0 | 0 | 114.4 | R13 T14 Y15 I279 R282 L283 | R13-E17 WeakPolarHBondContact O-CG 3.35Å; R13-E17 PolarHBondContact O-N 3.15Å; T14-E17 PolarHBondContact O-N 3.5Å; Y15-E17 PolarHBondContact O-N 3.43Å; E17-I279 HydrophobicContact CB-CG2 3.99Å; E17-R282 HydrophobicContact CG-CB 4.15Å; E17-R282 PolarHBondContact O-NH1 3.14Å; E17-R282 WeakPolarHBondContact OE2-CB 2.94Å; E17-R282 WeakPolarHBondContact OE2-CD 3.34Å; E17-L283 HydrophobicContact CG-CD2 3.68Å; E17-L283 HydrophobicContact CG-CG 4.14Å |
| 18 | A | 95.1 | Very high | 95.3 | Very high | 21 Ų | 21 | 31.4 Ų | 31.4 | 17% | 0.174 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -121.2 | -27.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | T14 Y15 F25 L274 I279 | T14-A18 WeakPolarHBondContact O-CB 3.49Å; T14-A18 PolarHBondContact O-N 2.92Å; Y15-A18 PolarHBondContact O-N 3.06Å; A18-F25 HydrophobicContact CB-CE2 3.61Å; A18-F25 HydrophobicContact CB-CZ 4.1Å; A18-L274 HydrophobicContact CB-CD2 4.37Å; A18-I279 HydrophobicContact CB-CD1 3.51Å; A18-I279 HydrophobicContact CB-CG1 3.85Å; A18-I279 HydrophobicContact CB-CG2 4.38Å |
| 19 | A | 93.7 | Very high | 95.3 | Very high | 27 Ų | 27 | 31.4 Ų | 31.4 | 22% | 0.223 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 134.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y15 F25 | Y15-A19 HydrophobicContact CD2-CB 3.43Å; Y15-A19 VanDerWaalsContact CD2-CB 3.43Å; Y15-A19 HydrophobicContact CE1-CB 4.5Å; Y15-A19 HydrophobicContact CE2-CB 3.3Å; Y15-A19 HydrophobicContact CG-CB 4.09Å; Y15-A19 WeakPolarHBondContact O-CB 3.05Å; Y15-A19 PolarHBondContact O-N 2.99Å; A19-F25 HydrophobicContact CB-CB 4.07Å; A19-F25 HydrophobicContact CB-CD2 3.91Å; A19-F25 HydrophobicContact CB-CG 3.98Å |
| 20 | V | 92.2 | Very high | 95.2 | Very high | 86 Ų | 86 | 29.8 Ų | 29.8 | 52% | 0.521 | 16% | 0.164 | S | C | . | . | P | Polyproline II helix | trans | -85.6 | 137.6 | 173.1 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | N22 H23 | V20-N22 PolarHBondContact O-N 3.37Å; V20-H23 HydrophobicContact CB-CB 4.05Å; V20-H23 HydrophobicContact CG1-CB 4.39Å; V20-H23 WeakPolarHBondContact CG1-ND1 3.45Å; V20-H23 PolarHBondContact O-N 2.72Å; V20-H23 VanDerWaalsContact O-N 3.14Å |
| 21 | A | 90.8 | Very high | 95.1 | Very high | 66 Ų | 66 | 29.8 Ų | 29.8 | 55% | 0.545 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 132.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.3 | H23 | A21-H23 PolarHBondContact O-N 3.33Å; A21-H23 PolarHBondContact O-ND1 2.89Å |
| 22 | N | 90.6 | Very high | 95.1 | Very high | 61 Ų | 61 | 29.7 Ų | 29.7 | 33% | 0.326 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 21.3 | -179.8 | -49.7 | -36.3 | 0 | 0 | 0 | 115.1 | V20 K188 Y373 | V20-N22 PolarHBondContact O-N 3.37Å; N22-K188 HydrophobicContact CB-CD 4.19Å; N22-Y373 HydrophobicContact CB-CD1 4.17Å; N22-Y373 HydrophobicContact CB-CE1 4.14Å |
| 23 | H | 92.7 | Very high | 95 | Very high | 93 Ų | 93 | 29.4 Ų | 29.4 | 43% | 0.431 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -114.3 | 147.8 | 172.5 | -68.8 | 68.9 | 0 | 0 | 0 | 109.6 | V20 A21 Y373 | V20-H23 HydrophobicContact CB-CB 4.05Å; V20-H23 HydrophobicContact CG1-CB 4.39Å; V20-H23 WeakPolarHBondContact CG1-ND1 3.45Å; V20-H23 PolarHBondContact O-N 2.72Å; V20-H23 VanDerWaalsContact O-N 3.14Å; A21-H23 PolarHBondContact O-N 3.33Å; A21-H23 PolarHBondContact O-ND1 2.89Å; H23-Y373 VanDerWaalsContact O-CD2 3.25Å; H23-Y373 WeakPolarHBondContact O-CD2 3.46Å |
| 24 | S | 94.3 | Very high | 94.9 | Very high | 9 Ų | 9 | 26.4 Ų | 26.4 | 6% | 0.063 | 15% | 0.15 | C | C | . | . | trans | -62.8 | 145.4 | 172.8 | -51.4 | 0 | 0 | 0 | 0 | 110.4 | V371 Y373 S375 | S24-V371 VanDerWaalsContact CA-O 3.23Å; S24-V371 WeakPolarHBondContact CA-O 3.35Å; S24-V371 WeakPolarHBondContact CB-O 3.44Å; S24-Y373 PolarHBondContact OG-N 2.78Å; S24-S375 PolarHBondContact OG-O 3.36Å | ||
| 25 | F | 94.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 141.9 | -179.2 | 173.5 | -87.5 | 0 | 0 | 0 | 108.7 | T14 Y15 A18 A19 I27 Y272 L274 G370 V371 | T14-F25 HydrophobicContact CG2-CZ 4.26Å; Y15-F25 HydrophobicContact CD2-CB 4.36Å; Y15-F25 AromaticContact CD2-CD1 3.73Å; Y15-F25 HydrophobicContact CD2-CD1 3.73Å; Y15-F25 HydrophobicContact CD2-CE1 4.25Å; Y15-F25 HydrophobicContact CD2-CG 4.12Å; Y15-F25 HydrophobicContact CE2-CB 4.44Å; A18-F25 HydrophobicContact CB-CE2 3.61Å; A18-F25 HydrophobicContact CB-CZ 4.1Å; A19-F25 HydrophobicContact CB-CB 4.07Å; A19-F25 HydrophobicContact CB-CD2 3.91Å; A19-F25 HydrophobicContact CB-CG 3.98Å; F25-I27 HydrophobicContact CE1-CB 4.41Å; F25-I27 HydrophobicContact CE1-CD1 4Å; F25-I27 HydrophobicContact CE1-CG1 3.9Å; F25-I27 HydrophobicContact CE1-CG2 3.76Å; F25-I27 HydrophobicContact CE2-CG2 4.29Å; F25-I27 HydrophobicContact CZ-CD1 4.22Å; F25-I27 HydrophobicContact CZ-CG1 4.37Å; F25-I27 HydrophobicContact CZ-CG2 3.51Å; F25-Y272 AromaticContact CD2-CE1 3.73Å; F25-Y272 HydrophobicContact CD2-CE1 3.73Å; F25-Y272 AromaticContact CD2-CZ 3.67Å; F25-Y272 VanDerWaalsContact CD2-OH 3.31Å; F25-Y272 WeakPolarHBondContact CD2-OH 3.32Å; F25-Y272 AromaticContact CE2-CE1 3.88Å; F25-Y272 HydrophobicContact CE2-CE1 3.88Å; F25-Y272 HydrophobicContact CG-CE1 4.49Å; F25-L274 HydrophobicContact CE2-CD1 3.96Å; F25-L274 HydrophobicContact CE2-CD2 4.29Å; F25-L274 HydrophobicContact CZ-CD1 3.99Å; F25-G370 CarbonylContact O-C 3.5Å; F25-G370 WeakPolarHBondContact O-CA 3.39Å; F25-V371 HydrophobicContact CB-CG2 3.9Å; F25-V371 PolarHBondContact N-O 3.16Å; F25-V371 PolarHBondContact O-N 3.35Å |
| 26 | F | 94.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 134.9 | -176 | 175.3 | -109.9 | 0 | 0 | 0 | 111.8 | F270 Y272 A314 I316 F356 F368 I369 | F26-F270 HydrophobicContact CB-CB 4.23Å; F26-F270 HydrophobicContact CB-CD1 4.06Å; F26-F270 HydrophobicContact CB-CD2 4.43Å; F26-F270 HydrophobicContact CB-CG 3.99Å; F26-F270 HydrophobicContact CD1-CB 3.85Å; F26-F270 HydrophobicContact CD1-CG 4.46Å; F26-F270 HydrophobicContact CE1-CB 4.39Å; F26-F270 HydrophobicContact CG-CB 4.06Å; F26-F270 HydrophobicContact CG-CD2 4.47Å; F26-F270 HydrophobicContact CG-CG 4.18Å; F26-Y272 HydrophobicContact CB-CG 4.27Å; F26-Y272 WeakPolarHBondContact O-CD1 3.22Å; F26-A314 HydrophobicContact CD1-CB 3.87Å; F26-A314 HydrophobicContact CE1-CB 3.49Å; F26-A314 VanDerWaalsContact CE1-CB 3.49Å; F26-A314 HydrophobicContact CZ-CB 4.47Å; F26-I316 HydrophobicContact CD1-CG2 4.14Å; F26-I316 HydrophobicContact CD2-CG2 4.12Å; F26-I316 HydrophobicContact CE1-CB 4.08Å; F26-I316 HydrophobicContact CE1-CG2 3.55Å; F26-I316 HydrophobicContact CE2-CB 4.2Å; F26-I316 HydrophobicContact CE2-CD1 4.32Å; F26-I316 HydrophobicContact CE2-CG2 3.49Å; F26-I316 VanDerWaalsContact CE2-CG2 3.49Å; F26-I316 HydrophobicContact CG-CG2 4.38Å; F26-I316 HydrophobicContact CZ-CB 3.56Å; F26-I316 HydrophobicContact CZ-CD1 4.37Å; F26-I316 HydrophobicContact CZ-CG2 3.17Å; F26-F356 AromaticContact CD2-CE2 3.56Å; F26-F356 HydrophobicContact CD2-CE2 3.56Å; F26-F356 AromaticContact CD2-CZ 3.72Å; F26-F356 HydrophobicContact CD2-CZ 3.72Å; F26-F356 AromaticContact CE2-CE2 3.79Å; F26-F356 HydrophobicContact CE2-CE2 3.79Å; F26-F356 HydrophobicContact CE2-CZ 4.38Å; F26-F368 AromaticContact CE1-CD1 3.84Å; F26-F368 HydrophobicContact CE1-CD1 3.84Å; F26-F368 HydrophobicContact CE1-CE1 4.08Å; F26-F368 HydrophobicContact CE2-CB 3.63Å; F26-F368 AromaticContact CE2-CD1 3.68Å; F26-F368 HydrophobicContact CE2-CD1 3.68Å; F26-F368 AromaticContact CE2-CG 3.96Å; F26-F368 HydrophobicContact CE2-CG 3.96Å; F26-F368 HydrophobicContact CZ-CB 3.92Å; F26-F368 AromaticContact CZ-CD1 3.06Å; F26-F368 HydrophobicContact CZ-CD1 3.06Å; F26-F368 AromaticContact CZ-CE1 3.62Å; F26-F368 HydrophobicContact CZ-CE1 3.62Å; F26-F368 AromaticContact CZ-CG 3.69Å; F26-F368 HydrophobicContact CZ-CG 3.69Å; F26-I369 WeakPolarHBondContact CA-O 2.96Å |
| 27 | I | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 162.5 | 175.3 | 58.1 | 173.9 | 0 | 0 | 0 | 111.5 | A11 T14 F25 P29 I32 L274 F368 I369 | A11-I27 HydrophobicContact CB-CD1 4.25Å; T14-I27 HydrophobicContact CG2-CD1 3.78Å; F25-I27 HydrophobicContact CE1-CB 4.41Å; F25-I27 HydrophobicContact CE1-CD1 4Å; F25-I27 HydrophobicContact CE1-CG1 3.9Å; F25-I27 HydrophobicContact CE1-CG2 3.76Å; F25-I27 HydrophobicContact CE2-CG2 4.29Å; F25-I27 HydrophobicContact CZ-CD1 4.22Å; F25-I27 HydrophobicContact CZ-CG1 4.37Å; F25-I27 HydrophobicContact CZ-CG2 3.51Å; I27-P29 HydrophobicContact CD1-CB 4.44Å; I27-P29 WeakPolarHBondContact O-CD 3.22Å; I27-I32 HydrophobicContact CB-CD1 4.14Å; I27-I32 HydrophobicContact CD1-CD1 4.47Å; I27-I32 HydrophobicContact CG2-CD1 4.37Å; I27-L274 HydrophobicContact CG2-CD1 3.25Å; I27-L274 HydrophobicContact CG2-CG 4.36Å; I27-F368 WeakPolarHBondContact O-CA 3.38Å; I27-I369 HydrophobicContact CD1-CG2 4.43Å; I27-I369 HydrophobicContact CG1-CG2 3.91Å; I27-I369 PolarHBondContact N-O 3.24Å; I27-I369 PolarHBondContact O-N 3.05Å |
| 28 | S | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -103 | 100.1 | 157.4 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | F30 S31 I32 H312 L367 | S28-F30 VanDerWaalsContact C-N 3.34Å; S28-F30 PolarHBondContact O-N 2.85Å; S28-S31 PolarHBondContact O-N 3.3Å; S28-S31 WeakPolarHBondContact OG-CB 3.23Å; S28-S31 PolarHBondContact OG-N 3.38Å; S28-I32 VanDerWaalsContact O-CG1 3.31Å; S28-I32 WeakPolarHBondContact O-CG1 3.27Å; S28-I32 PolarHBondContact O-N 3.27Å; S28-I32 VanDerWaalsContact O-N 3.11Å; S28-H312 PolarHBondContact N-NE2 3.03Å; S28-H312 VanDerWaalsContact N-NE2 3.16Å; S28-L367 VanDerWaalsContact CA-O 3.27Å; S28-L367 WeakPolarHBondContact CA-O 3.33Å; S28-L367 WeakPolarHBondContact CB-O 3.43Å; S28-L367 PolarHBondContact OG-O 2.7Å | ||
| 29 | P | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.7 | -38.9 | -178 | 26.7 | -32.4 | 0 | 0 | 0 | 111.4 | F10 A11 I27 I32 L33 V366 I369 | F10-P29 HydrophobicContact CD1-CB 3.83Å; F10-P29 HydrophobicContact CE1-CB 4.48Å; A11-P29 HydrophobicContact CB-CB 3.54Å; A11-P29 HydrophobicContact CB-CG 3.62Å; I27-P29 HydrophobicContact CD1-CB 4.44Å; I27-P29 WeakPolarHBondContact O-CD 3.22Å; P29-I32 PolarHBondContact O-N 3.46Å; P29-L33 WeakPolarHBondContact O-CB 3.25Å; P29-L33 VanDerWaalsContact O-CG 3.23Å; P29-L33 WeakPolarHBondContact O-CG 3.46Å; P29-L33 PolarHBondContact O-N 3.25Å; P29-V366 HydrophobicContact CG-CB 4.22Å; P29-V366 HydrophobicContact CG-CG1 4Å; P29-V366 VanDerWaalsContact CG-O 3.32Å; P29-V366 WeakPolarHBondContact CG-O 3.34Å; P29-I369 HydrophobicContact CG-CG2 4.33Å |
| 30 | F | 95.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 0% | 0.004 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.4 | -48.1 | 175.4 | 174.2 | -102.2 | 0 | 0 | 0 | 112.2 | L3 T7 S28 I32 L33 V34 A72 L73 L76 I365 L367 | L3-F30 HydrophobicContact CD2-CE2 4.29Å; T7-F30 HydrophobicContact CG2-CB 4Å; T7-F30 HydrophobicContact CG2-CD2 4.22Å; S28-F30 VanDerWaalsContact C-N 3.34Å; S28-F30 PolarHBondContact O-N 2.85Å; F30-I32 PolarHBondContact O-N 3.03Å; F30-L33 PolarHBondContact O-N 2.8Å; F30-V34 HydrophobicContact CD1-CG2 4.33Å; F30-V34 HydrophobicContact CD2-CG2 4.49Å; F30-V34 HydrophobicContact CE1-CG2 3.75Å; F30-V34 HydrophobicContact CE2-CG2 3.95Å; F30-V34 HydrophobicContact CZ-CG2 3.54Å; F30-V34 WeakPolarHBondContact O-CG2 3.34Å; F30-V34 PolarHBondContact O-N 3.43Å; F30-A72 HydrophobicContact CE2-CB 3.68Å; F30-A72 HydrophobicContact CZ-CB 3.7Å; F30-L73 HydrophobicContact CE1-CB 4.49Å; F30-L73 HydrophobicContact CE1-CD1 4.36Å; F30-L73 HydrophobicContact CZ-CB 4.11Å; F30-L76 HydrophobicContact CD1-CD1 3.87Å; F30-L76 HydrophobicContact CE1-CD1 3.44Å; F30-L76 VanDerWaalsContact CE1-CD1 3.44Å; F30-L76 HydrophobicContact CZ-CD1 4.23Å; F30-I365 HydrophobicContact CB-CB 4.5Å; F30-I365 HydrophobicContact CB-CD1 4.37Å; F30-I365 HydrophobicContact CD1-CD1 3.87Å; F30-I365 HydrophobicContact CD2-CB 4.24Å; F30-I365 HydrophobicContact CD2-CD1 3.95Å; F30-I365 HydrophobicContact CD2-CG2 3.83Å; F30-I365 HydrophobicContact CE1-CD1 4.16Å; F30-I365 HydrophobicContact CE2-CD1 4.22Å; F30-I365 HydrophobicContact CE2-CG2 4.19Å; F30-I365 HydrophobicContact CG-CB 4.44Å; F30-I365 HydrophobicContact CG-CD1 3.77Å; F30-I365 HydrophobicContact CG-CG2 4.49Å; F30-I365 HydrophobicContact CZ-CD1 4.32Å; F30-L367 HydrophobicContact CD1-CD1 4.25Å |
| 31 | S | 94.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | -177.7 | -157.1 | 0 | 0 | 0 | 0 | 111.7 | S28 L33 V34 A35 I89 N163 | S28-S31 PolarHBondContact O-N 3.3Å; S28-S31 WeakPolarHBondContact OG-CB 3.23Å; S28-S31 PolarHBondContact OG-N 3.38Å; S31-L33 PolarHBondContact O-N 2.8Å; S31-V34 WeakPolarHBondContact O-CB 3.43Å; S31-V34 PolarHBondContact O-N 2.97Å; S31-A35 PolarHBondContact O-N 3.2Å; S31-I89 WeakPolarHBondContact OG-CG2 3.43Å; S31-N163 VanDerWaalsContact C-ND2 3.32Å; S31-N163 PolarHBondContact O-ND2 3.3Å; S31-N163 PolarHBondContact OG-ND2 3.03Å; S31-N163 PolarHBondContact OG-OD1 3.28Å |
| 32 | I | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -59.3 | -47 | 173.1 | -65.9 | 165.1 | 0 | 0 | 0 | 110.8 | F10 I27 S28 P29 F30 V34 A35 L36 N163 L276 H312 | F10-I32 HydrophobicContact CE1-CB 3.96Å; F10-I32 HydrophobicContact CE1-CD1 4.29Å; F10-I32 HydrophobicContact CE1-CG2 3.63Å; F10-I32 HydrophobicContact CZ-CB 4.45Å; F10-I32 HydrophobicContact CZ-CG2 3.62Å; I27-I32 HydrophobicContact CB-CD1 4.14Å; I27-I32 HydrophobicContact CD1-CD1 4.47Å; I27-I32 HydrophobicContact CG2-CD1 4.37Å; S28-I32 VanDerWaalsContact O-CG1 3.31Å; S28-I32 WeakPolarHBondContact O-CG1 3.27Å; S28-I32 PolarHBondContact O-N 3.27Å; S28-I32 VanDerWaalsContact O-N 3.11Å; P29-I32 PolarHBondContact O-N 3.46Å; F30-I32 PolarHBondContact O-N 3.03Å; I32-V34 VanDerWaalsContact C-N 3.28Å; I32-V34 PolarHBondContact O-N 3.1Å; I32-A35 PolarHBondContact O-N 3.49Å; I32-L36 HydrophobicContact CG2-CD1 3.66Å; I32-L36 HydrophobicContact CG2-CG 4.33Å; I32-L36 WeakPolarHBondContact O-CG 3.4Å; I32-L36 PolarHBondContact O-N 2.81Å; I32-N163 PolarHBondContact N-OD1 3.13Å; I32-L276 HydrophobicContact CD1-CD2 4.1Å; I32-L276 HydrophobicContact CG1-CD1 4.41Å; I32-L276 HydrophobicContact CG1-CD2 4.46Å; I32-L276 HydrophobicContact CG2-CD1 3.8Å; I32-L276 HydrophobicContact CG2-CD2 4.34Å; I32-H312 HydrophobicContact CD1-CB 4.3Å; I32-H312 HydrophobicContact CG1-CB 4.02Å; I32-H312 WeakPolarHBondContact CG1-ND1 3.24Å |
| 33 | L | 96 | Very high | 95.4 | Very high | 1 Ų | 1 | 6 Ų | 6 | 1% | 0.005 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -63.6 | -32.8 | -180 | -74.2 | 171.7 | 0 | 0 | 0 | 112.4 | I6 T7 F10 P29 F30 S31 L36 G37 L55 F56 M69 | I6-L33 HydrophobicContact CG2-CD1 4.16Å; T7-L33 HydrophobicContact CG2-CD1 3.97Å; F10-L33 HydrophobicContact CB-CD1 3.98Å; F10-L33 HydrophobicContact CB-CD2 4.36Å; F10-L33 HydrophobicContact CB-CG 4.46Å; F10-L33 HydrophobicContact CD1-CD1 3.97Å; F10-L33 HydrophobicContact CD1-CD2 3.99Å; F10-L33 HydrophobicContact CD1-CG 3.72Å; F10-L33 HydrophobicContact CD2-CD2 3.94Å; F10-L33 HydrophobicContact CE1-CD2 4.29Å; F10-L33 HydrophobicContact CE1-CG 4.11Å; F10-L33 HydrophobicContact CE2-CD2 4.25Å; F10-L33 HydrophobicContact CG-CD1 4.05Å; F10-L33 HydrophobicContact CG-CD2 3.8Å; F10-L33 HydrophobicContact CG-CG 3.98Å; F10-L33 HydrophobicContact CZ-CD2 4.42Å; P29-L33 WeakPolarHBondContact O-CB 3.25Å; P29-L33 VanDerWaalsContact O-CG 3.23Å; P29-L33 WeakPolarHBondContact O-CG 3.46Å; P29-L33 PolarHBondContact O-N 3.25Å; F30-L33 PolarHBondContact O-N 2.8Å; S31-L33 PolarHBondContact O-N 2.8Å; L33-L36 PolarHBondContact O-N 2.85Å; L33-G37 WeakPolarHBondContact O-CA 3.44Å; L33-G37 PolarHBondContact O-N 2.76Å; L33-L55 HydrophobicContact CD2-CB 3.98Å; L33-L55 WeakPolarHBondContact CD2-O 3.4Å; L33-F56 HydrophobicContact CB-CE1 4.3Å; L33-F56 HydrophobicContact CD2-CD1 3.98Å; L33-F56 HydrophobicContact CD2-CE1 3.65Å; L33-M69 HydrophobicContact CB-CE 4.23Å; L33-M69 HydrophobicContact CB-SD 4.4Å |
| 34 | V | 94.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -61.5 | -48.6 | 171.8 | 162.7 | 0 | 0 | 0 | 0 | 111.2 | F30 S31 I32 L36 G37 M38 L73 N91 Y113 | F30-V34 HydrophobicContact CD1-CG2 4.33Å; F30-V34 HydrophobicContact CD2-CG2 4.49Å; F30-V34 HydrophobicContact CE1-CG2 3.75Å; F30-V34 HydrophobicContact CE2-CG2 3.95Å; F30-V34 HydrophobicContact CZ-CG2 3.54Å; F30-V34 WeakPolarHBondContact O-CG2 3.34Å; F30-V34 PolarHBondContact O-N 3.43Å; S31-V34 WeakPolarHBondContact O-CB 3.43Å; S31-V34 PolarHBondContact O-N 2.97Å; I32-V34 VanDerWaalsContact C-N 3.28Å; I32-V34 PolarHBondContact O-N 3.1Å; V34-L36 VanDerWaalsContact C-N 3.33Å; V34-L36 PolarHBondContact O-N 2.79Å; V34-G37 WeakPolarHBondContact O-CA 3.35Å; V34-G37 PolarHBondContact O-N 3.47Å; V34-G37 VanDerWaalsContact O-N 3.09Å; V34-M38 PolarHBondContact O-N 2.77Å; V34-L73 HydrophobicContact CG1-CD1 4.47Å; V34-L73 HydrophobicContact CG1-CD2 3.73Å; V34-L73 HydrophobicContact CG2-CB 4.49Å; V34-N91 HydrophobicContact CG1-CB 4.47Å; V34-N91 WeakPolarHBondContact CG1-ND2 3.31Å; V34-Y113 HydrophobicContact CG1-CD1 3.82Å; V34-Y113 HydrophobicContact CG1-CE1 4.33Å |
| 35 | A | 94.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 5 Ų | 5 | 3% | 0.025 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S31 I32 G37 M38 T39 N163 | S31-A35 PolarHBondContact O-N 3.2Å; I32-A35 PolarHBondContact O-N 3.49Å; A35-G37 VanDerWaalsContact C-N 3.32Å; A35-M38 HydrophobicContact CB-CE 4.26Å; A35-M38 PolarHBondContact O-N 2.85Å; A35-T39 PolarHBondContact O-N 2.83Å; A35-T39 PolarHBondContact O-OG1 2.99Å; A35-N163 HydrophobicContact CB-CB 3.9Å |
| 36 | L | 96 | Very high | 95.9 | Very high | 1 Ų | 1 | 9.1 Ų | 9.1 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -70.1 | -30.1 | 173.8 | -65.3 | 169.3 | 0 | 0 | 0 | 112.2 | F10 I32 L33 V34 T39 Y40 M51 L55 F56 L161 L280 M288 | F10-L36 HydrophobicContact CZ-CD1 4.26Å; I32-L36 HydrophobicContact CG2-CD1 3.66Å; I32-L36 HydrophobicContact CG2-CG 4.33Å; I32-L36 WeakPolarHBondContact O-CG 3.4Å; I32-L36 PolarHBondContact O-N 2.81Å; L33-L36 PolarHBondContact O-N 2.85Å; V34-L36 VanDerWaalsContact C-N 3.33Å; V34-L36 PolarHBondContact O-N 2.79Å; L36-T39 CarbonylContact O-C 3.56Å; L36-T39 WeakPolarHBondContact O-CB 3.45Å; L36-T39 PolarHBondContact O-N 3.47Å; L36-Y40 WeakPolarHBondContact O-CB 3.4Å; L36-Y40 PolarHBondContact O-N 2.88Å; L36-M51 WeakPolarHBondContact O-CE 3.32Å; L36-L55 HydrophobicContact CB-CD1 3.84Å; L36-L55 HydrophobicContact CD1-CD1 3.78Å; L36-L55 HydrophobicContact CD1-CD2 3.95Å; L36-L55 HydrophobicContact CD1-CG 4.45Å; L36-L55 HydrophobicContact CD2-CD1 4.33Å; L36-L55 HydrophobicContact CG-CD1 4.2Å; L36-F56 HydrophobicContact CB-CZ 4.29Å; L36-L161 HydrophobicContact CD2-CD2 3.85Å; L36-L280 HydrophobicContact CD1-CD1 4.28Å; L36-L280 HydrophobicContact CD1-CD2 3.83Å; L36-L280 HydrophobicContact CD2-CD1 3.77Å; L36-M288 HydrophobicContact CD2-CE 4.19Å |
| 37 | G | 94.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63.7 | -44.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L33 V34 A35 T39 Y40 V41 Y113 | L33-G37 WeakPolarHBondContact O-CA 3.44Å; L33-G37 PolarHBondContact O-N 2.76Å; V34-G37 WeakPolarHBondContact O-CA 3.35Å; V34-G37 PolarHBondContact O-N 3.47Å; V34-G37 VanDerWaalsContact O-N 3.09Å; A35-G37 VanDerWaalsContact C-N 3.32Å; G37-T39 VanDerWaalsContact C-N 3.26Å; G37-T39 PolarHBondContact O-N 2.96Å; G37-Y40 WeakPolarHBondContact O-CB 3.35Å; G37-Y40 PolarHBondContact O-N 3.35Å; G37-Y40 VanDerWaalsContact O-N 3.16Å; G37-V41 WeakPolarHBondContact O-CG2 3.29Å; G37-V41 PolarHBondContact O-N 2.93Å; G37-V41 VanDerWaalsContact O-N 3.07Å; G37-Y113 VanDerWaalsContact CA-OH 3.32Å; G37-Y113 WeakPolarHBondContact CA-OH 3.43Å |
| 38 | M | 93.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -57.7 | -41.8 | 171.9 | -64.1 | -170 | -71.2 | 0 | 0 | 111.9 | V34 A35 V41 N91 L93 I109 Y113 A115 | V34-M38 PolarHBondContact O-N 2.77Å; A35-M38 HydrophobicContact CB-CE 4.26Å; A35-M38 PolarHBondContact O-N 2.85Å; M38-V41 WeakPolarHBondContact O-CB 3.33Å; M38-V41 PolarHBondContact O-N 3.48Å; M38-N91 HydrophobicContact CE-CB 3.73Å; M38-L93 HydrophobicContact CB-CD1 4.13Å; M38-L93 HydrophobicContact CB-CG 4.39Å; M38-L93 HydrophobicContact CE-CG 4.42Å; M38-I109 HydrophobicContact CB-CG2 4.21Å; M38-Y113 HydrophobicContact CB-CD2 4.44Å; M38-Y113 HydrophobicContact CG-CD1 4.27Å; M38-Y113 HydrophobicContact CG-CD2 3.66Å; M38-Y113 HydrophobicContact CG-CE2 4.32Å; M38-Y113 HydrophobicContact CG-CG 3.62Å; M38-A115 HydrophobicContact SD-CB 3.23Å; M38-A115 WeakPolarHBondContact SD-CB 3.4Å |
| 39 | T | 95.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.5 | -37.2 | 178.6 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | A35 L36 G37 V41 G42 S43 M51 L93 L161 M288 F296 V307 | A35-T39 PolarHBondContact O-N 2.83Å; A35-T39 PolarHBondContact O-OG1 2.99Å; L36-T39 CarbonylContact O-C 3.56Å; L36-T39 WeakPolarHBondContact O-CB 3.45Å; L36-T39 PolarHBondContact O-N 3.47Å; G37-T39 VanDerWaalsContact C-N 3.26Å; G37-T39 PolarHBondContact O-N 2.96Å; T39-V41 VanDerWaalsContact C-N 3.34Å; T39-V41 PolarHBondContact O-N 2.89Å; T39-G42 WeakPolarHBondContact O-CA 3.32Å; T39-G42 PolarHBondContact O-N 3.4Å; T39-S43 PolarHBondContact O-N 3.37Å; T39-M51 HydrophobicContact CG2-CE 3.91Å; T39-M51 HydrophobicContact CG2-SD 4.44Å; T39-L93 WeakPolarHBondContact OG1-CD2 3.43Å; T39-L161 HydrophobicContact CG2-CD1 4.39Å; T39-L161 HydrophobicContact CG2-CD2 4.16Å; T39-L161 WeakPolarHBondContact OG1-CD2 3.49Å; T39-L161 VanDerWaalsContact OG1-CG 3.29Å; T39-L161 WeakPolarHBondContact OG1-CG 3.27Å; T39-M288 HydrophobicContact CG2-CE 3.89Å; T39-F296 HydrophobicContact CG2-CD1 4.46Å; T39-F296 HydrophobicContact CG2-CE1 3.41Å; T39-F296 VanDerWaalsContact CG2-CE1 3.41Å; T39-F296 HydrophobicContact CG2-CZ 3.58Å; T39-V307 HydrophobicContact CG2-CG2 4.03Å |
| 40 | Y | 96.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 1% | 0.012 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 176.3 | 178.1 | -107.1 | 0 | 0 | 0 | 112.6 | L36 G37 G42 S43 K48 M51 K52 F56 D62 I65 | L36-Y40 WeakPolarHBondContact O-CB 3.4Å; L36-Y40 PolarHBondContact O-N 2.88Å; G37-Y40 WeakPolarHBondContact O-CB 3.35Å; G37-Y40 PolarHBondContact O-N 3.35Å; G37-Y40 VanDerWaalsContact O-N 3.16Å; Y40-G42 PolarHBondContact O-N 3.5Å; Y40-G42 VanDerWaalsContact O-N 3.16Å; Y40-S43 WeakPolarHBondContact O-CB 3.27Å; Y40-S43 PolarHBondContact O-N 3.37Å; Y40-S43 PolarHBondContact O-OG 2.84Å; Y40-K48 HydrophobicContact CD2-CG 4.09Å; Y40-K48 HydrophobicContact CE2-CB 4.46Å; Y40-K48 HydrophobicContact CE2-CD 4.27Å; Y40-K48 HydrophobicContact CE2-CG 3.35Å; Y40-K48 VanDerWaalsContact CZ-CE 3.48Å; Y40-K48 WeakPolarHBondContact OH-CE 3.19Å; Y40-M51 HydrophobicContact CD2-CB 3.84Å; Y40-M51 HydrophobicContact CE2-CB 4.42Å; Y40-K52 HydrophobicContact CE2-CB 3.81Å; Y40-F56 HydrophobicContact CD1-CD2 4.49Å; Y40-F56 HydrophobicContact CD1-CE2 4.17Å; Y40-F56 HydrophobicContact CD2-CD2 4.34Å; Y40-F56 AromaticContact CD2-CE2 3.95Å; Y40-F56 HydrophobicContact CD2-CE2 3.95Å; Y40-F56 HydrophobicContact CG-CD2 4.28Å; Y40-F56 AromaticContact CG-CE2 3.69Å; Y40-F56 HydrophobicContact CG-CE2 3.69Å; Y40-D62 HydrophobicContact CE1-CB 4.45Å; Y40-D62 PolarHBondContact OH-OD1 2.95Å; Y40-I65 HydrophobicContact CE1-CD1 4.03Å |
| 41 | V | 95.6 | Very high | 96.3 | Very high | 13 Ų | 13 | 16.5 Ų | 16.5 | 8% | 0.079 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -54 | -34.5 | 173.6 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | G37 M38 T39 N66 F105 R108 I109 Y113 | G37-V41 WeakPolarHBondContact O-CG2 3.29Å; G37-V41 PolarHBondContact O-N 2.93Å; G37-V41 VanDerWaalsContact O-N 3.07Å; M38-V41 WeakPolarHBondContact O-CB 3.33Å; M38-V41 PolarHBondContact O-N 3.48Å; T39-V41 VanDerWaalsContact C-N 3.34Å; T39-V41 PolarHBondContact O-N 2.89Å; V41-N66 WeakPolarHBondContact CG2-OD1 3.37Å; V41-F105 HydrophobicContact CB-CD2 4.47Å; V41-F105 HydrophobicContact CB-CE2 4.15Å; V41-F105 HydrophobicContact CG1-CD2 3.9Å; V41-F105 HydrophobicContact CG1-CE2 4.06Å; V41-R108 HydrophobicContact CG1-CB 3.65Å; V41-R108 HydrophobicContact CG1-CG 4.47Å; V41-I109 HydrophobicContact CB-CG2 4.27Å; V41-I109 HydrophobicContact CG1-CG2 4.24Å; V41-Y113 HydrophobicContact CG2-CE2 3.97Å |
| 42 | G | 96.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -84.3 | -14.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | T39 Y40 F296 K298 I299 | T39-G42 WeakPolarHBondContact O-CA 3.32Å; T39-G42 PolarHBondContact O-N 3.4Å; Y40-G42 PolarHBondContact O-N 3.5Å; Y40-G42 VanDerWaalsContact O-N 3.16Å; G42-F296 CarbonylContact O-C 3.48Å; G42-F296 VanDerWaalsContact O-CA 3.25Å; G42-F296 WeakPolarHBondContact O-CA 3.48Å; G42-K298 WeakPolarHBondContact O-CB 3.37Å; G42-K298 PolarHBondContact O-N 3.44Å; G42-I299 VanDerWaalsContact CA-CG1 3.42Å |
| 43 | S | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -82.5 | 158.9 | -172.5 | 72.9 | 0 | 0 | 0 | 0 | 113.4 | T39 Y40 K48 N295 | T39-S43 PolarHBondContact O-N 3.37Å; Y40-S43 WeakPolarHBondContact O-CB 3.27Å; Y40-S43 PolarHBondContact O-N 3.37Å; Y40-S43 PolarHBondContact O-OG 2.84Å; S43-K48 WeakPolarHBondContact OG-CA 3.34Å; S43-K48 VanDerWaalsContact OG-CB 3.3Å; S43-K48 WeakPolarHBondContact OG-CB 3.31Å; S43-K48 WeakPolarHBondContact OG-CG 3.09Å; S43-N295 CarbonylContact C-O 3.39Å; S43-N295 WeakPolarHBondContact CA-O 3.21Å | ||
| 44 | S | 97.7 | Very high | 96.2 | Very high | 16 Ų | 16 | 25.1 Ų | 25.1 | 11% | 0.112 | 14% | 0.144 | C | C | . | . | trans | -149.2 | 167.9 | 173 | -78.4 | 0 | 0 | 0 | 0 | 112.2 | T47 K48 N295 K298 | S44-T47 PolarHBondContact O-N 2.99Å; S44-K48 PolarHBondContact O-N 3.41Å; S44-N295 PolarHBondContact N-O 2.9Å; S44-K298 WeakPolarHBondContact OG-CE 3.42Å; S44-K298 VanDerWaalsContact OG-CG 3.23Å; S44-K298 WeakPolarHBondContact OG-CG 3.34Å | ||
| 45 | A | 96.6 | Very high | 96.2 | Very high | 64 Ų | 64 | 25.1 Ų | 25.1 | 53% | 0.529 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | 49.9 | -139.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T47 K48 S49 | A45-T47 VanDerWaalsContact C-N 3.3Å; A45-T47 PolarHBondContact O-N 3.19Å; A45-K48 WeakPolarHBondContact O-CB 3.41Å; A45-K48 PolarHBondContact O-N 3Å; A45-S49 PolarHBondContact O-N 2.84Å; A45-S49 PolarHBondContact O-OG 3.01Å |
| 46 | N | 98 | Very high | 96.1 | Very high | 89 Ų | 89 | 25 Ų | 25 | 48% | 0.476 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -60.6 | -35.6 | -174.4 | -164.2 | 54.8 | 0 | 0 | 0 | 113.6 | K48 S49 Q50 D287 | N46-K48 VanDerWaalsContact C-N 3.28Å; N46-K48 PolarHBondContact O-N 3.37Å; N46-S49 PolarHBondContact O-N 2.61Å; N46-S49 VanDerWaalsContact O-N 3.16Å; N46-Q50 PolarHBondContact ND2-NE2 3.27Å; N46-Q50 PolarHBondContact O-N 2.85Å; N46-D287 WeakPolarHBondContact CB-OD2 3.38Å; N46-D287 PolarHBondContact ND2-OD2 3.16Å |
| 47 | T | 98.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.6 | -46 | 173 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | S44 A45 M51 D287 M288 N295 F296 | S44-T47 PolarHBondContact O-N 2.99Å; A45-T47 VanDerWaalsContact C-N 3.3Å; A45-T47 PolarHBondContact O-N 3.19Å; T47-M51 HydrophobicContact CG2-SD 4.42Å; T47-M51 VanDerWaalsContact O-CG 3.3Å; T47-M51 WeakPolarHBondContact O-CG 3.25Å; T47-M51 PolarHBondContact O-N 3.07Å; T47-M51 VanDerWaalsContact O-N 3.09Å; T47-D287 HydrophobicContact CG2-CB 4.42Å; T47-M288 HydrophobicContact CG2-CB 3.9Å; T47-N295 PolarHBondContact OG1-N 3.45Å; T47-F296 HydrophobicContact CG2-CE1 4.42Å; T47-F296 HydrophobicContact CG2-CE2 4.44Å; T47-F296 HydrophobicContact CG2-CZ 4.09Å |
| 48 | K | 97.4 | Very high | 94.4 | Very high | 54 Ų | 54 | 31.2 Ų | 31.2 | 24% | 0.235 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.6 | -43.3 | 177.1 | -171.7 | 171.8 | -176.2 | 174.3 | 0 | 112 | Y40 S43 S44 A45 N46 M51 K52 D62 | Y40-K48 HydrophobicContact CD2-CG 4.09Å; Y40-K48 HydrophobicContact CE2-CB 4.46Å; Y40-K48 HydrophobicContact CE2-CD 4.27Å; Y40-K48 HydrophobicContact CE2-CG 3.35Å; Y40-K48 VanDerWaalsContact CZ-CE 3.48Å; Y40-K48 WeakPolarHBondContact OH-CE 3.19Å; S43-K48 WeakPolarHBondContact OG-CA 3.34Å; S43-K48 VanDerWaalsContact OG-CB 3.3Å; S43-K48 WeakPolarHBondContact OG-CB 3.31Å; S43-K48 WeakPolarHBondContact OG-CG 3.09Å; S44-K48 PolarHBondContact O-N 3.41Å; A45-K48 WeakPolarHBondContact O-CB 3.41Å; A45-K48 PolarHBondContact O-N 3Å; N46-K48 VanDerWaalsContact C-N 3.28Å; N46-K48 PolarHBondContact O-N 3.37Å; K48-M51 PolarHBondContact O-N 3.09Å; K48-K52 VanDerWaalsContact O-CB 3.31Å; K48-K52 WeakPolarHBondContact O-CB 3.3Å; K48-K52 PolarHBondContact O-N 3Å; K48-D62 WeakPolarHBondContact CE-OD2 3.39Å; K48-D62 IonicContact NZ-OD2 3.62Å; K48-D62 PolarHBondContact NZ-OD2 2.95Å |
| 49 | S | 96.9 | Very high | 93.7 | Very high | 72 Ų | 72 | 35 Ų | 35 | 50% | 0.503 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 179 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | A45 N46 S53 | A45-S49 PolarHBondContact O-N 2.84Å; A45-S49 PolarHBondContact O-OG 3.01Å; N46-S49 PolarHBondContact O-N 2.61Å; N46-S49 VanDerWaalsContact O-N 3.16Å; S49-S53 WeakPolarHBondContact O-CB 3.48Å; S49-S53 PolarHBondContact O-N 2.71Å; S49-S53 PolarHBondContact O-OG 3.31Å |
| 50 | Q | 97.8 | Very high | 93.2 | Very high | 30 Ų | 30 | 35.7 Ų | 35.7 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.6 | -51.3 | 174.2 | -74.7 | 178.5 | -4 | 0 | 0 | 111.1 | N46 K52 S53 K54 T286 D287 | N46-Q50 PolarHBondContact ND2-NE2 3.27Å; N46-Q50 PolarHBondContact O-N 2.85Å; Q50-K52 PolarHBondContact O-N 3.43Å; Q50-S53 PolarHBondContact O-N 2.93Å; Q50-S53 PolarHBondContact O-OG 3.11Å; Q50-K54 WeakPolarHBondContact O-CB 3.3Å; Q50-K54 VanDerWaalsContact O-CG 3.32Å; Q50-K54 WeakPolarHBondContact O-CG 3.3Å; Q50-K54 PolarHBondContact O-N 3.27Å; Q50-T286 PolarHBondContact NE2-OG1 2.95Å; Q50-T286 VanDerWaalsContact OE1-N 3.14Å; Q50-D287 VanDerWaalsContact NE2-CG 3.3Å; Q50-D287 PolarHBondContact NE2-OD1 3.32Å; Q50-D287 VanDerWaalsContact OE1-CB 3.22Å; Q50-D287 PolarHBondContact OE1-OD1 3.13Å |
| 51 | M | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.6 | -46.7 | 178.7 | -70.9 | -176.6 | 80.7 | 0 | 0 | 111.7 | L36 T39 Y40 T47 K48 L55 V285 M288 | L36-M51 WeakPolarHBondContact O-CE 3.32Å; T39-M51 HydrophobicContact CG2-CE 3.91Å; T39-M51 HydrophobicContact CG2-SD 4.44Å; Y40-M51 HydrophobicContact CD2-CB 3.84Å; Y40-M51 HydrophobicContact CE2-CB 4.42Å; T47-M51 HydrophobicContact CG2-SD 4.42Å; T47-M51 VanDerWaalsContact O-CG 3.3Å; T47-M51 WeakPolarHBondContact O-CG 3.25Å; T47-M51 PolarHBondContact O-N 3.07Å; T47-M51 VanDerWaalsContact O-N 3.09Å; K48-M51 PolarHBondContact O-N 3.09Å; M51-L55 HydrophobicContact CB-CD1 4.11Å; M51-L55 HydrophobicContact CE-CD1 4.1Å; M51-L55 HydrophobicContact CG-CD1 4.31Å; M51-L55 WeakPolarHBondContact O-CB 3.34Å; M51-L55 VanDerWaalsContact O-CG 3.25Å; M51-L55 WeakPolarHBondContact O-CG 3.5Å; M51-L55 PolarHBondContact O-N 3Å; M51-V285 HydrophobicContact CG-CG1 3.69Å; M51-M288 HydrophobicContact CE-CE 4.29Å; M51-M288 HydrophobicContact CE-SD 4.27Å; M51-M288 HydrophobicContact CG-SD 4.32Å; M51-M288 HydrophobicContact SD-SD 4.35Å |
| 52 | K | 95.9 | Very high | 92.4 | Very high | 48 Ų | 48 | 45.9 Ų | 45.9 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -59.9 | -55.5 | 179.7 | -173.1 | 179.7 | -179.8 | 173.4 | 0 | 111.8 | Y40 K48 Q50 K54 F56 E57 S58 L60 D62 I65 | Y40-K52 HydrophobicContact CE2-CB 3.81Å; K48-K52 VanDerWaalsContact O-CB 3.31Å; K48-K52 WeakPolarHBondContact O-CB 3.3Å; K48-K52 PolarHBondContact O-N 3Å; Q50-K52 PolarHBondContact O-N 3.43Å; K52-K54 VanDerWaalsContact C-N 3.33Å; K52-K54 PolarHBondContact O-N 3.47Å; K52-F56 CarbonylContact O-C 3.58Å; K52-F56 PolarHBondContact O-N 3.16Å; K52-F56 VanDerWaalsContact O-N 3.1Å; K52-E57 PolarHBondContact O-N 3.47Å; K52-E57 VanDerWaalsContact O-N 3.11Å; K52-S58 WeakPolarHBondContact CE-O 3.42Å; K52-L60 WeakPolarHBondContact CE-O 3.18Å; K52-L60 PolarHBondContact NZ-O 3.05Å; K52-D62 IonicContact NZ-OD1 3.38Å; K52-I65 HydrophobicContact CG-CD1 4.24Å |
| 53 | S | 94.7 | Very high | 92 | Very high | 46 Ų | 46 | 48.3 Ų | 48.3 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | I | π-helix | trans | -64.9 | -36.2 | -174.7 | 58.6 | 0 | 0 | 0 | 0 | 112.6 | S49 Q50 | S49-S53 WeakPolarHBondContact O-CB 3.48Å; S49-S53 PolarHBondContact O-N 2.71Å; S49-S53 PolarHBondContact O-OG 3.31Å; Q50-S53 PolarHBondContact O-N 2.93Å; Q50-S53 PolarHBondContact O-OG 3.11Å |
| 54 | K | 95.1 | Very high | 91.6 | Very high | 87 Ų | 87 | 51.8 Ų | 51.8 | 38% | 0.378 | 30% | 0.295 | S | S | . | . | I | π-helix | trans | -93.1 | -25.1 | -175 | -57.1 | -55.6 | -174 | 177.2 | 0 | 114.1 | R13 Q50 K52 L283 V285 | R13-K54 PolarHBondContact NH1-O 3.05Å; R13-K54 PolarHBondContact NH2-O 3.38Å; Q50-K54 WeakPolarHBondContact O-CB 3.3Å; Q50-K54 VanDerWaalsContact O-CG 3.32Å; Q50-K54 WeakPolarHBondContact O-CG 3.3Å; Q50-K54 PolarHBondContact O-N 3.27Å; K52-K54 VanDerWaalsContact C-N 3.33Å; K52-K54 PolarHBondContact O-N 3.47Å; K54-L283 VanDerWaalsContact CD-O 3.25Å; K54-L283 WeakPolarHBondContact CD-O 3.18Å; K54-L283 VanDerWaalsContact CG-O 3.3Å; K54-L283 WeakPolarHBondContact CG-O 3.36Å; K54-V285 HydrophobicContact CB-CG2 3.49Å; K54-V285 VanDerWaalsContact CB-CG2 3.49Å; K54-V285 HydrophobicContact CG-CG2 4.02Å |
| 55 | L | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -105.5 | -37.4 | -175.3 | -53.1 | 176.9 | 0 | 0 | 0 | 113 | F10 L33 L36 M51 L280 V285 | F10-L55 HydrophobicContact CD2-CD2 4.14Å; F10-L55 HydrophobicContact CE2-CD2 3.64Å; L33-L55 HydrophobicContact CD2-CB 3.98Å; L33-L55 WeakPolarHBondContact CD2-O 3.4Å; L36-L55 HydrophobicContact CB-CD1 3.84Å; L36-L55 HydrophobicContact CD1-CD1 3.78Å; L36-L55 HydrophobicContact CD1-CD2 3.95Å; L36-L55 HydrophobicContact CD1-CG 4.45Å; L36-L55 HydrophobicContact CD2-CD1 4.33Å; L36-L55 HydrophobicContact CG-CD1 4.2Å; M51-L55 HydrophobicContact CB-CD1 4.11Å; M51-L55 HydrophobicContact CE-CD1 4.1Å; M51-L55 HydrophobicContact CG-CD1 4.31Å; M51-L55 WeakPolarHBondContact O-CB 3.34Å; M51-L55 VanDerWaalsContact O-CG 3.25Å; M51-L55 WeakPolarHBondContact O-CG 3.5Å; M51-L55 PolarHBondContact O-N 3Å; L55-L280 HydrophobicContact CD2-CD2 3.74Å; L55-V285 HydrophobicContact CD2-CG2 4.02Å; L55-V285 HydrophobicContact CG-CG2 4.11Å |
| 56 | F | 91.2 | Very high | 91 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -119.1 | 2.3 | -168.5 | -48.7 | -50.6 | 0 | 0 | 0 | 113.5 | L33 L36 Y40 K52 I65 M69 | L33-F56 HydrophobicContact CB-CE1 4.3Å; L33-F56 HydrophobicContact CD2-CD1 3.98Å; L33-F56 HydrophobicContact CD2-CE1 3.65Å; L36-F56 HydrophobicContact CB-CZ 4.29Å; Y40-F56 HydrophobicContact CD1-CD2 4.49Å; Y40-F56 HydrophobicContact CD1-CE2 4.17Å; Y40-F56 HydrophobicContact CD2-CD2 4.34Å; Y40-F56 AromaticContact CD2-CE2 3.95Å; Y40-F56 HydrophobicContact CD2-CE2 3.95Å; Y40-F56 HydrophobicContact CG-CD2 4.28Å; Y40-F56 AromaticContact CG-CE2 3.69Å; Y40-F56 HydrophobicContact CG-CE2 3.69Å; K52-F56 CarbonylContact O-C 3.58Å; K52-F56 PolarHBondContact O-N 3.16Å; K52-F56 VanDerWaalsContact O-N 3.1Å; F56-I65 HydrophobicContact CB-CD1 3.77Å; F56-I65 HydrophobicContact CB-CG1 4.13Å; F56-I65 HydrophobicContact CB-CG2 4.24Å; F56-I65 HydrophobicContact CD1-CG2 4.18Å; F56-I65 HydrophobicContact CD2-CD1 4.1Å; F56-I65 HydrophobicContact CD2-CG2 3.96Å; F56-I65 HydrophobicContact CE2-CG2 4.38Å; F56-I65 HydrophobicContact CG-CD1 4.21Å; F56-I65 HydrophobicContact CG-CG2 3.84Å; F56-M69 HydrophobicContact CD1-CE 3.03Å; F56-M69 HydrophobicContact CE1-CE 3.02Å; F56-M69 HydrophobicContact CE1-SD 4.02Å; F56-M69 HydrophobicContact CG-CE 4.03Å; F56-M69 HydrophobicContact CZ-CE 4.01Å |
| 57 | E | 79.3 | Confident | 90.6 | Very high | 46 Ų | 46 | 48.2 Ų | 48.2 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | trans | 60.3 | 143.9 | -170.1 | -54.6 | -65.9 | 162.1 | 0 | 0 | 112.6 | M1 I6 R13 K52 S59 | M1-E57 HydrophobicContact SD-CB 4.48Å; M1-E57 HydrophobicContact SD-CG 4.14Å; I6-E57 HydrophobicContact CG1-CG 4.35Å; R13-E57 IonicContact CZ-OE1 3.77Å; R13-E57 IonicContact NH2-OE1 2.82Å; R13-E57 PolarHBondContact NH2-OE1 3.39Å; K52-E57 PolarHBondContact O-N 3.47Å; K52-E57 VanDerWaalsContact O-N 3.11Å; E57-S59 PolarHBondContact O-N 3.16Å; E57-S59 VanDerWaalsContact O-N 3.14Å | ||
| 58 | S | 75.5 | Confident | 90.3 | Very high | 87 Ų | 87 | 51.7 Ų | 51.7 | 61% | 0.608 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -19.6 | -168.8 | 55.2 | 0 | 0 | 0 | 0 | 114.8 | K52 L60 | K52-S58 WeakPolarHBondContact CE-O 3.42Å; S58-L60 PolarHBondContact O-N 2.78Å |
| 59 | S | 79.8 | Confident | 90 | Very high | 78 Ų | 78 | 49.3 Ų | 49.3 | 55% | 0.545 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -22.8 | -172.1 | 66.3 | 0 | 0 | 0 | 0 | 115 | E57 | E57-S59 PolarHBondContact O-N 3.16Å; E57-S59 VanDerWaalsContact O-N 3.14Å |
| 60 | L | 84.7 | Confident | 89.7 | Confident | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -83 | 142.2 | -178.6 | -66.3 | -175.2 | 0 | 0 | 0 | 112.4 | I6 K52 S58 I65 L68 | I6-L60 HydrophobicContact CD1-CD1 3.36Å; I6-L60 HydrophobicContact CD1-CG 4.26Å; K52-L60 WeakPolarHBondContact CE-O 3.18Å; K52-L60 PolarHBondContact NZ-O 3.05Å; S58-L60 PolarHBondContact O-N 2.78Å; L60-I65 HydrophobicContact CB-CD1 4.21Å; L60-I65 HydrophobicContact CB-CG1 3.66Å; L60-I65 HydrophobicContact CD1-CG1 4.05Å; L60-L68 HydrophobicContact CD1-CD1 4.11Å |
| 61 | R | 88.7 | Confident | 89.5 | Confident | 175 Ų | 175 | 46.4 Ų | 46.4 | 66% | 0.66 | 27% | 0.268 | S | S | * | . | trans | -76 | 153.5 | 168.4 | -61.9 | -179.6 | -67 | 172.4 | -1.4 | 110.7 | G63 Q64 I65 | R61-G63 VanDerWaalsContact C-N 3.28Å; R61-G63 PolarHBondContact O-N 3.31Å; R61-Q64 HydrophobicContact CB-CG 4.35Å; R61-Q64 VanDerWaalsContact CB-OE1 3.3Å; R61-Q64 WeakPolarHBondContact O-CA 3.34Å; R61-Q64 WeakPolarHBondContact O-CB 3.45Å; R61-Q64 PolarHBondContact O-N 3.44Å; R61-I65 PolarHBondContact O-N 3.2Å | ||
| 62 | D | 87.8 | Confident | 89.2 | Confident | 55 Ų | 55 | 46.6 Ų | 46.6 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -55.2 | -41.8 | -178.1 | -64 | -6.3 | 0 | 0 | 0 | 113.4 | Y40 K48 K52 Q64 I65 N66 | Y40-D62 HydrophobicContact CE1-CB 4.45Å; Y40-D62 PolarHBondContact OH-OD1 2.95Å; K48-D62 WeakPolarHBondContact CE-OD2 3.39Å; K48-D62 IonicContact NZ-OD2 3.62Å; K48-D62 PolarHBondContact NZ-OD2 2.95Å; K52-D62 IonicContact NZ-OD1 3.38Å; D62-Q64 VanDerWaalsContact C-N 3.29Å; D62-Q64 PolarHBondContact O-N 3.34Å; D62-I65 PolarHBondContact O-N 3.25Å; D62-N66 PolarHBondContact O-N 3.34Å; D62-N66 PolarHBondContact O-ND2 3Å |
| 63 | G | 86.9 | Confident | 89.1 | Confident | 52 Ų | 52 | 44.5 Ų | 44.5 | 54% | 0.536 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.1 | -35.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R61 S67 | R61-G63 VanDerWaalsContact C-N 3.28Å; R61-G63 PolarHBondContact O-N 3.31Å; G63-S67 VanDerWaalsContact O-CB 3.24Å; G63-S67 WeakPolarHBondContact O-CB 3.32Å; G63-S67 PolarHBondContact O-N 2.98Å |
| 64 | Q | 89.6 | Confident | 88.8 | Confident | 73 Ų | 73 | 46.3 Ų | 46.3 | 34% | 0.341 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69.8 | -43.8 | 178 | -68.6 | 171.3 | -60.5 | 0 | 0 | 111.2 | R61 D62 N66 S67 L68 | R61-Q64 HydrophobicContact CB-CG 4.35Å; R61-Q64 VanDerWaalsContact CB-OE1 3.3Å; R61-Q64 WeakPolarHBondContact O-CA 3.34Å; R61-Q64 WeakPolarHBondContact O-CB 3.45Å; R61-Q64 PolarHBondContact O-N 3.44Å; D62-Q64 VanDerWaalsContact C-N 3.29Å; D62-Q64 PolarHBondContact O-N 3.34Å; Q64-N66 PolarHBondContact O-N 3.21Å; Q64-S67 PolarHBondContact O-N 2.99Å; Q64-L68 WeakPolarHBondContact O-CB 3.44Å; Q64-L68 VanDerWaalsContact O-CG 3.27Å; Q64-L68 WeakPolarHBondContact O-CG 3.31Å; Q64-L68 PolarHBondContact O-N 3.46Å |
| 65 | I | 90.9 | Very high | 88.6 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.1 | -52.2 | 177.5 | -62.8 | 169.4 | 0 | 0 | 0 | 110.4 | Y40 K52 F56 L60 R61 D62 S67 M69 | Y40-I65 HydrophobicContact CE1-CD1 4.03Å; K52-I65 HydrophobicContact CG-CD1 4.24Å; F56-I65 HydrophobicContact CB-CD1 3.77Å; F56-I65 HydrophobicContact CB-CG1 4.13Å; F56-I65 HydrophobicContact CB-CG2 4.24Å; F56-I65 HydrophobicContact CD1-CG2 4.18Å; F56-I65 HydrophobicContact CD2-CD1 4.1Å; F56-I65 HydrophobicContact CD2-CG2 3.96Å; F56-I65 HydrophobicContact CE2-CG2 4.38Å; F56-I65 HydrophobicContact CG-CD1 4.21Å; F56-I65 HydrophobicContact CG-CG2 3.84Å; L60-I65 HydrophobicContact CB-CD1 4.21Å; L60-I65 HydrophobicContact CB-CG1 3.66Å; L60-I65 HydrophobicContact CD1-CG1 4.05Å; R61-I65 PolarHBondContact O-N 3.2Å; D62-I65 PolarHBondContact O-N 3.25Å; I65-S67 VanDerWaalsContact C-N 3.35Å; I65-S67 PolarHBondContact O-N 3.25Å; I65-M69 HydrophobicContact CG2-CE 3.77Å; I65-M69 HydrophobicContact CG2-SD 4.48Å; I65-M69 WeakPolarHBondContact O-CG 3.47Å; I65-M69 PolarHBondContact O-N 3.46Å; I65-M69 VanDerWaalsContact O-N 3.12Å |
| 66 | N | 90.8 | Very high | 88.2 | Confident | 17 Ų | 17 | 44.2 Ų | 44.2 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.1 | -33.3 | -178.7 | -67.6 | -62.8 | 0 | 0 | 0 | 113 | V41 D62 Q64 G70 H112 Y113 | V41-N66 WeakPolarHBondContact CG2-OD1 3.37Å; D62-N66 PolarHBondContact O-N 3.34Å; D62-N66 PolarHBondContact O-ND2 3Å; Q64-N66 PolarHBondContact O-N 3.21Å; N66-G70 PolarHBondContact O-N 2.8Å; N66-G70 VanDerWaalsContact O-N 3.1Å; N66-H112 HydrophobicContact CB-CB 4.36Å; N66-H112 PolarHBondContact O-ND1 3.31Å; N66-Y113 PolarHBondContact OD1-OH 3.39Å |
| 67 | S | 90.1 | Very high | 87.8 | Confident | 75 Ų | 75 | 47.1 Ų | 47.1 | 52% | 0.524 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -72.2 | -43.9 | 178 | -166.1 | 0 | 0 | 0 | 0 | 112 | G63 Q64 I65 G71 | G63-S67 VanDerWaalsContact O-CB 3.24Å; G63-S67 WeakPolarHBondContact O-CB 3.32Å; G63-S67 PolarHBondContact O-N 2.98Å; Q64-S67 PolarHBondContact O-N 2.99Å; I65-S67 VanDerWaalsContact C-N 3.35Å; I65-S67 PolarHBondContact O-N 3.25Å; S67-G71 PolarHBondContact O-N 3.17Å |
| 68 | L | 91.1 | Very high | 87.8 | Confident | 73 Ų | 73 | 50.9 Ų | 50.9 | 38% | 0.382 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.6 | -51.9 | -178.8 | -71.5 | 171.4 | 0 | 0 | 0 | 111.1 | L3 L60 Q64 G70 G71 A72 | L3-L68 HydrophobicContact CD2-CB 4.46Å; L60-L68 HydrophobicContact CD1-CD1 4.11Å; Q64-L68 WeakPolarHBondContact O-CB 3.44Å; Q64-L68 VanDerWaalsContact O-CG 3.27Å; Q64-L68 WeakPolarHBondContact O-CG 3.31Å; Q64-L68 PolarHBondContact O-N 3.46Å; L68-G70 PolarHBondContact O-N 2.74Å; L68-G71 PolarHBondContact O-N 3.38Å; L68-A72 PolarHBondContact O-N 3.46Å |
| 69 | M | 91.2 | Very high | 87.6 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 178.2 | -65.9 | -170.3 | -165.8 | 0 | 0 | 112.4 | L3 L33 F56 I65 G71 A72 L73 Y113 | L3-M69 HydrophobicContact CD1-CG 4.42Å; L33-M69 HydrophobicContact CB-CE 4.23Å; L33-M69 HydrophobicContact CB-SD 4.4Å; F56-M69 HydrophobicContact CD1-CE 3.03Å; F56-M69 HydrophobicContact CE1-CE 3.02Å; F56-M69 HydrophobicContact CE1-SD 4.02Å; F56-M69 HydrophobicContact CG-CE 4.03Å; F56-M69 HydrophobicContact CZ-CE 4.01Å; I65-M69 HydrophobicContact CG2-CE 3.77Å; I65-M69 HydrophobicContact CG2-SD 4.48Å; I65-M69 WeakPolarHBondContact O-CG 3.47Å; I65-M69 PolarHBondContact O-N 3.46Å; I65-M69 VanDerWaalsContact O-N 3.12Å; M69-G71 VanDerWaalsContact C-N 3.33Å; M69-A72 PolarHBondContact O-N 2.83Å; M69-L73 VanDerWaalsContact O-CB 3.25Å; M69-L73 WeakPolarHBondContact O-CB 3.33Å; M69-L73 PolarHBondContact O-N 2.92Å; M69-Y113 HydrophobicContact CB-CE1 3.72Å; M69-Y113 HydrophobicContact SD-CE1 4.29Å |
| 70 | G | 91.6 | Very high | 86.9 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N66 L68 K74 H112 | N66-G70 PolarHBondContact O-N 2.8Å; N66-G70 VanDerWaalsContact O-N 3.1Å; L68-G70 PolarHBondContact O-N 2.74Å; G70-K74 WeakPolarHBondContact O-CB 3.32Å; G70-K74 WeakPolarHBondContact O-CG 3.22Å; G70-K74 PolarHBondContact O-N 2.68Å; G70-H112 WeakPolarHBondContact CA-O 3.3Å |
| 71 | G | 92.2 | Very high | 85.5 | Confident | 38 Ų | 38 | 50.4 Ų | 50.4 | 39% | 0.392 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.8 | -53.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S67 L68 M69 L73 K74 S75 | S67-G71 PolarHBondContact O-N 3.17Å; L68-G71 PolarHBondContact O-N 3.38Å; M69-G71 VanDerWaalsContact C-N 3.33Å; G71-L73 VanDerWaalsContact C-N 3.35Å; G71-L73 PolarHBondContact O-N 2.94Å; G71-K74 PolarHBondContact O-N 2.73Å; G71-S75 PolarHBondContact O-N 3Å |
| 72 | A | 92.5 | Very high | 84 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L3 F30 L68 M69 K74 S75 L76 N363 I365 | L3-A72 HydrophobicContact CD2-CB 3.92Å; F30-A72 HydrophobicContact CE2-CB 3.68Å; F30-A72 HydrophobicContact CZ-CB 3.7Å; L68-A72 PolarHBondContact O-N 3.46Å; M69-A72 PolarHBondContact O-N 2.83Å; A72-K74 VanDerWaalsContact C-N 3.34Å; A72-K74 PolarHBondContact O-N 3.5Å; A72-S75 PolarHBondContact O-N 3.02Å; A72-L76 WeakPolarHBondContact O-CG 3.49Å; A72-L76 PolarHBondContact O-N 2.91Å; A72-N363 WeakPolarHBondContact CA-OD1 3.37Å; A72-N363 HydrophobicContact CB-CB 4.05Å; A72-I365 HydrophobicContact CB-CG2 4.4Å |
| 73 | L | 92.1 | Very high | 82.9 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 178.2 | -178.1 | 65.1 | 0 | 0 | 0 | 112.2 | F30 V34 M69 G71 N77 I89 Y113 | F30-L73 HydrophobicContact CE1-CB 4.49Å; F30-L73 HydrophobicContact CE1-CD1 4.36Å; F30-L73 HydrophobicContact CZ-CB 4.11Å; V34-L73 HydrophobicContact CG1-CD1 4.47Å; V34-L73 HydrophobicContact CG1-CD2 3.73Å; V34-L73 HydrophobicContact CG2-CB 4.49Å; M69-L73 VanDerWaalsContact O-CB 3.25Å; M69-L73 WeakPolarHBondContact O-CB 3.33Å; M69-L73 PolarHBondContact O-N 2.92Å; G71-L73 VanDerWaalsContact C-N 3.35Å; G71-L73 PolarHBondContact O-N 2.94Å; L73-N77 WeakPolarHBondContact O-CB 3.47Å; L73-N77 VanDerWaalsContact O-CG 3.3Å; L73-N77 PolarHBondContact O-N 3.05Å; L73-N77 PolarHBondContact O-ND2 3.07Å; L73-N77 VanDerWaalsContact O-ND2 3.17Å; L73-I89 HydrophobicContact CD1-CD1 3.8Å; L73-I89 HydrophobicContact CD1-CG2 4.36Å; L73-Y113 HydrophobicContact CD2-CD1 4.26Å; L73-Y113 VanDerWaalsContact CD2-O 3.27Å; L73-Y113 WeakPolarHBondContact CD2-O 3.42Å |
| 74 | K | 90 | Very high | 82.1 | Confident | 84 Ų | 84 | 51.5 Ų | 51.5 | 37% | 0.365 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 176.3 | -76 | 173.8 | -173.1 | -177 | 0 | 111.8 | G70 G71 A72 N77 N78 K111 | G70-K74 WeakPolarHBondContact O-CB 3.32Å; G70-K74 WeakPolarHBondContact O-CG 3.22Å; G70-K74 PolarHBondContact O-N 2.68Å; G71-K74 PolarHBondContact O-N 2.73Å; A72-K74 VanDerWaalsContact C-N 3.34Å; A72-K74 PolarHBondContact O-N 3.5Å; K74-N77 PolarHBondContact O-N 3.33Å; K74-N78 WeakPolarHBondContact O-CB 3.15Å; K74-N78 PolarHBondContact O-N 2.96Å; K74-N78 PolarHBondContact O-ND2 3.49Å; K74-K111 WeakPolarHBondContact CE-O 3.18Å; K74-K111 PolarHBondContact NZ-O 3.3Å |
| 75 | S | 89.1 | Confident | 81.6 | Confident | 41 Ų | 41 | 48.8 Ų | 48.8 | 29% | 0.287 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.8 | -52.6 | 174.9 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | G71 A72 N77 N78 S79 N363 | G71-S75 PolarHBondContact O-N 3Å; A72-S75 PolarHBondContact O-N 3.02Å; S75-N77 VanDerWaalsContact C-N 3.34Å; S75-N77 PolarHBondContact O-N 3.03Å; S75-N78 PolarHBondContact O-N 3.37Å; S75-N78 VanDerWaalsContact O-N 3.12Å; S75-S79 PolarHBondContact O-N 3.01Å; S75-S79 VanDerWaalsContact O-N 3.17Å; S75-N363 WeakPolarHBondContact CB-OD1 3.38Å; S75-N363 PolarHBondContact OG-ND2 2.9Å; S75-N363 PolarHBondContact OG-OD1 2.84Å |
| 76 | L | 87.6 | Confident | 81.4 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.8 | -43.2 | 177.8 | -73 | 174.2 | 0 | 0 | 0 | 113.4 | F30 A72 N78 N80 Y85 L87 I89 D360 I365 L367 | F30-L76 HydrophobicContact CD1-CD1 3.87Å; F30-L76 HydrophobicContact CE1-CD1 3.44Å; F30-L76 VanDerWaalsContact CE1-CD1 3.44Å; F30-L76 HydrophobicContact CZ-CD1 4.23Å; A72-L76 WeakPolarHBondContact O-CG 3.49Å; A72-L76 PolarHBondContact O-N 2.91Å; L76-N78 VanDerWaalsContact C-N 3.33Å; L76-N78 PolarHBondContact O-N 3.08Å; L76-N80 PolarHBondContact O-N 3.32Å; L76-Y85 PolarHBondContact O-OH 3.49Å; L76-L87 HydrophobicContact CB-CD2 3.79Å; L76-L87 HydrophobicContact CD1-CD2 4.29Å; L76-L87 HydrophobicContact CD2-CD2 3.7Å; L76-L87 HydrophobicContact CG-CD2 4.14Å; L76-I89 HydrophobicContact CB-CD1 4.46Å; L76-I89 HydrophobicContact CD1-CD1 4.04Å; L76-D360 VanDerWaalsContact CD2-OD2 3.29Å; L76-D360 WeakPolarHBondContact CD2-OD2 3.34Å; L76-I365 HydrophobicContact CD1-CD1 3.75Å; L76-I365 HydrophobicContact CG-CD1 4.36Å; L76-L367 HydrophobicContact CD1-CD1 3.96Å |
| 77 | N | 82.8 | Confident | 81.3 | Confident | 62 Ų | 62 | 50.5 Ų | 50.5 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.5 | -31.5 | 179.6 | -77.3 | -30.8 | 0 | 0 | 0 | 113 | L73 K74 S75 | L73-N77 WeakPolarHBondContact O-CB 3.47Å; L73-N77 VanDerWaalsContact O-CG 3.3Å; L73-N77 PolarHBondContact O-N 3.05Å; L73-N77 PolarHBondContact O-ND2 3.07Å; L73-N77 VanDerWaalsContact O-ND2 3.17Å; K74-N77 PolarHBondContact O-N 3.33Å; S75-N77 VanDerWaalsContact C-N 3.34Å; S75-N77 PolarHBondContact O-N 3.03Å |
| 78 | N | 78.8 | Confident | 81.3 | Confident | 125 Ų | 125 | 47.6 Ų | 47.6 | 67% | 0.668 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -78.2 | -27.1 | -179.3 | -71.5 | -15 | 0 | 0 | 0 | 112.8 | K74 S75 L76 | K74-N78 WeakPolarHBondContact O-CB 3.15Å; K74-N78 PolarHBondContact O-N 2.96Å; K74-N78 PolarHBondContact O-ND2 3.49Å; S75-N78 PolarHBondContact O-N 3.37Å; S75-N78 VanDerWaalsContact O-N 3.12Å; L76-N78 VanDerWaalsContact C-N 3.33Å; L76-N78 PolarHBondContact O-N 3.08Å |
| 79 | S | 70.7 | Confident | 81.2 | Confident | 22 Ų | 22 | 45.3 Ų | 45.3 | 15% | 0.154 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -87.3 | -14.5 | -177.8 | -74.7 | 0 | 0 | 0 | 0 | 114.1 | S75 T81 K82 E83 Y85 | S75-S79 PolarHBondContact O-N 3.01Å; S75-S79 VanDerWaalsContact O-N 3.17Å; S79-T81 PolarHBondContact O-N 2.68Å; S79-K82 PolarHBondContact O-N 3.44Å; S79-K82 VanDerWaalsContact O-N 3.14Å; S79-E83 WeakPolarHBondContact CB-OE2 3.29Å; S79-E83 PolarHBondContact OG-OE1 2.81Å; S79-E83 PolarHBondContact OG-OE2 3.18Å; S79-Y85 WeakPolarHBondContact CB-OH 3.39Å |
| 80 | N | 64.9 | Low | 81.2 | Confident | 28 Ų | 28 | 45.2 Ų | 45.2 | 15% | 0.15 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -10.2 | -176.4 | -168.5 | 20.6 | 0 | 0 | 0 | 117.1 | L76 L87 | L76-N80 PolarHBondContact O-N 3.32Å; N80-L87 PolarHBondContact ND2-O 3.11Å; N80-L87 WeakPolarHBondContact OD1-CA 3.35Å; N80-L87 PolarHBondContact OD1-N 3.47Å; N80-L87 PolarHBondContact OD1-O 3.1Å |
| 81 | T | 57 | Low | 81.2 | Confident | 120 Ų | 120 | 45.7 Ų | 45.7 | 74% | 0.736 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.3 | -7 | -179.8 | 56.2 | 0 | 0 | 0 | 0 | 114.6 | S79 | S79-T81 PolarHBondContact O-N 2.68Š|
| 82 | K | 56.4 | Low | 81.3 | Confident | 178 Ų | 178 | 46.2 Ų | 46.2 | 77% | 0.774 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110 | -17.6 | -170.2 | -68.8 | -172 | 177.4 | -175.8 | 0 | 114.5 | S79 | S79-K82 PolarHBondContact O-N 3.44Å; S79-K82 VanDerWaalsContact O-N 3.14Å |
| 83 | E | 64.4 | Low | 81.5 | Confident | 83 Ų | 83 | 46 Ų | 46 | 39% | 0.388 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -122.6 | 17.5 | -161.5 | -66.3 | 174.7 | -176.3 | 0 | 0 | 114.8 | S79 Y85 T221 | S79-E83 WeakPolarHBondContact CB-OE2 3.29Å; S79-E83 PolarHBondContact OG-OE1 2.81Å; S79-E83 PolarHBondContact OG-OE2 3.18Å; E83-Y85 HydrophobicContact CB-CD1 4.03Å; E83-Y85 HydrophobicContact CB-CE1 3.94Å; E83-T221 HydrophobicContact CB-CG2 3.78Å; E83-T221 HydrophobicContact CG-CG2 4.48Å; E83-T221 PolarHBondContact O-OG1 2.92Å; E83-T221 VanDerWaalsContact OE2-CG2 3.24Å; E83-T221 WeakPolarHBondContact OE2-CG2 3.48Å |
| 84 | G | 70.1 | Confident | 81.7 | Confident | 44 Ų | 44 | 45.8 Ų | 45.8 | 45% | 0.454 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 80.2 | 23.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | D170 | G84-D170 PolarHBondContact O-N 2.95Š|
| 85 | Y | 80 | Confident | 82 | Confident | 15 Ų | 15 | 41.8 Ų | 41.8 | 6% | 0.059 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 151.1 | 171.6 | 74.6 | -82.2 | 0 | 0 | 0 | 112.1 | L76 S79 E83 L87 F167 K168 A169 T221 L224 | L76-Y85 PolarHBondContact O-OH 3.49Å; S79-Y85 WeakPolarHBondContact CB-OH 3.39Å; E83-Y85 HydrophobicContact CB-CD1 4.03Å; E83-Y85 HydrophobicContact CB-CE1 3.94Å; Y85-L87 HydrophobicContact CD2-CB 3.59Å; Y85-L87 HydrophobicContact CE2-CB 3.35Å; Y85-L87 HydrophobicContact CE2-CD2 3.76Å; Y85-L87 HydrophobicContact CE2-CG 4.21Å; Y85-F167 HydrophobicContact CD2-CD2 4.27Å; Y85-F167 AromaticContact CD2-CE2 3.9Å; Y85-F167 HydrophobicContact CD2-CE2 3.9Å; Y85-F167 HydrophobicContact CG-CE2 4.37Å; Y85-K168 CarbonylContact C-O 3.58Å; Y85-K168 WeakPolarHBondContact CA-O 3.36Å; Y85-K168 WeakPolarHBondContact CB-O 3.43Å; Y85-A169 VanDerWaalsContact CB-CB 3.5Å; Y85-T221 HydrophobicContact CD1-CG2 4.03Å; Y85-T221 WeakPolarHBondContact CD1-OG1 3.47Å; Y85-T221 HydrophobicContact CE1-CG2 3.93Å; Y85-L224 HydrophobicContact CD1-CD1 4.33Å; Y85-L224 HydrophobicContact CE1-CD1 4.41Å; Y85-L224 HydrophobicContact CG-CD1 4.46Å |
| 86 | E | 85.4 | Confident | 82.3 | Confident | 55 Ų | 55 | 40.6 Ų | 40.6 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 117.9 | 168.1 | -63.8 | -173.6 | -101.3 | 0 | 0 | 109.2 | Y88 Y166 F167 K168 | E86-Y88 HydrophobicContact CB-CE2 4.05Å; E86-Y88 WeakPolarHBondContact OE2-CE2 3.18Å; E86-Y88 PolarHBondContact OE2-OH 3.41Å; E86-Y166 HydrophobicContact CB-CE1 3.97Å; E86-F167 CarbonylContact O-C 3.49Å; E86-F167 WeakPolarHBondContact O-CA 3.41Å; E86-K168 HydrophobicContact CB-CB 4.36Å; E86-K168 PolarHBondContact N-O 3.38Å; E86-K168 PolarHBondContact O-N 2.78Å |
| 87 | L | 88.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 109.2 | 175.7 | 174.9 | 63.3 | 0 | 0 | 0 | 110.4 | L76 N80 Y85 I89 I165 Y166 F167 | L76-L87 HydrophobicContact CB-CD2 3.79Å; L76-L87 HydrophobicContact CD1-CD2 4.29Å; L76-L87 HydrophobicContact CD2-CD2 3.7Å; L76-L87 HydrophobicContact CG-CD2 4.14Å; N80-L87 PolarHBondContact ND2-O 3.11Å; N80-L87 WeakPolarHBondContact OD1-CA 3.35Å; N80-L87 PolarHBondContact OD1-N 3.47Å; N80-L87 PolarHBondContact OD1-O 3.1Å; Y85-L87 HydrophobicContact CD2-CB 3.59Å; Y85-L87 HydrophobicContact CE2-CB 3.35Å; Y85-L87 HydrophobicContact CE2-CD2 3.76Å; Y85-L87 HydrophobicContact CE2-CG 4.21Å; L87-I89 HydrophobicContact CD1-CD1 4.27Å; L87-I89 HydrophobicContact CD1-CG1 3.91Å; L87-I89 HydrophobicContact CD2-CD1 4.13Å; L87-I89 HydrophobicContact CD2-CG1 4.44Å; L87-I89 HydrophobicContact CG-CD1 4.2Å; L87-I89 HydrophobicContact CG-CG1 3.96Å; L87-I165 HydrophobicContact CD1-CD1 3.8Å; L87-I165 HydrophobicContact CD1-CG1 3.83Å; L87-Y166 CarbonylContact C-O 3.51Å; L87-Y166 VanDerWaalsContact CA-O 3.31Å; L87-Y166 WeakPolarHBondContact CA-O 3.3Å; L87-F167 HydrophobicContact CB-CD2 4.39Å; L87-F167 HydrophobicContact CD1-CB 4.33Å; L87-F167 HydrophobicContact CD1-CD2 4.16Å |
| 88 | Y | 89.5 | Confident | 82.5 | Confident | 15 Ų | 15 | 46.2 Ų | 46.2 | 6% | 0.059 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 115.5 | 175.5 | -52.2 | -59.2 | 0 | 0 | 0 | 109.7 | E86 K141 K143 I165 Y166 | E86-Y88 HydrophobicContact CB-CE2 4.05Å; E86-Y88 WeakPolarHBondContact OE2-CE2 3.18Å; E86-Y88 PolarHBondContact OE2-OH 3.41Å; Y88-K141 HydrophobicContact CD1-CG 4.42Å; Y88-K141 HydrophobicContact CE1-CD 3.71Å; Y88-K141 HydrophobicContact CE1-CG 4.09Å; Y88-K141 HydrophobicContact CE2-CB 4.43Å; Y88-K141 HydrophobicContact CE2-CD 4.18Å; Y88-K141 HydrophobicContact CE2-CG 4.38Å; Y88-K141 WeakPolarHBondContact OH-CD 3.35Å; Y88-K141 WeakPolarHBondContact OH-CE 3.24Å; Y88-K141 PolarHBondContact OH-NZ 2.59Å; Y88-K143 HydrophobicContact CD2-CG 4.42Å; Y88-K143 HydrophobicContact CE2-CG 4.46Å; Y88-I165 VanDerWaalsContact O-CA 3.29Å; Y88-I165 WeakPolarHBondContact O-CA 2.97Å; Y88-Y166 AromaticContact CD2-CD1 3.47Å; Y88-Y166 HydrophobicContact CD2-CD1 3.47Å; Y88-Y166 VanDerWaalsContact CD2-CD1 3.47Å; Y88-Y166 HydrophobicContact CD2-CE1 4.08Å; Y88-Y166 HydrophobicContact CD2-CG 4.15Å; Y88-Y166 AromaticContact CE2-CD1 3.87Å; Y88-Y166 HydrophobicContact CE2-CD1 3.87Å; Y88-Y166 AromaticContact CE2-CE1 4Å; Y88-Y166 HydrophobicContact CE2-CE1 4Å; Y88-Y166 PolarHBondContact N-O 3.4Å; Y88-Y166 PolarHBondContact O-N 3.4Å |
| 89 | I | 90.7 | Very high | 82.9 | Confident | 25 Ų | 25 | 41.5 Ų | 41.5 | 13% | 0.128 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 113.2 | 177.1 | -49.3 | -179.5 | 0 | 0 | 0 | 109.1 | S31 L73 L76 L87 N91 I165 | S31-I89 WeakPolarHBondContact OG-CG2 3.43Å; L73-I89 HydrophobicContact CD1-CD1 3.8Å; L73-I89 HydrophobicContact CD1-CG2 4.36Å; L76-I89 HydrophobicContact CB-CD1 4.46Å; L76-I89 HydrophobicContact CD1-CD1 4.04Å; L87-I89 HydrophobicContact CD1-CD1 4.27Å; L87-I89 HydrophobicContact CD1-CG1 3.91Å; L87-I89 HydrophobicContact CD2-CD1 4.13Å; L87-I89 HydrophobicContact CD2-CG1 4.44Å; L87-I89 HydrophobicContact CG-CD1 4.2Å; L87-I89 HydrophobicContact CG-CG1 3.96Å; I89-N91 WeakPolarHBondContact CG2-ND2 3.29Å; I89-I165 HydrophobicContact CD1-CD1 4.28Å; I89-I165 HydrophobicContact CG1-CD1 4.03Å; I89-I165 HydrophobicContact CG1-CG1 4.04Å |
| 90 | A | 91 | Very high | 83.7 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 109.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | W135 K139 T140 N163 A164 | A90-W135 HydrophobicContact CB-CH2 4.03Å; A90-W135 HydrophobicContact CB-CZ3 3.84Å; A90-K139 HydrophobicContact CB-CB 3.66Å; A90-K139 HydrophobicContact CB-CG 4.44Å; A90-T140 HydrophobicContact CB-CG2 4.16Å; A90-N163 CarbonylContact O-C 3.45Å; A90-N163 WeakPolarHBondContact O-CA 3.31Å; A90-A164 HydrophobicContact CB-CB 3.91Å; A90-A164 PolarHBondContact N-O 2.71Å; A90-A164 PolarHBondContact O-N 2.79Å |
| 91 | N | 91.6 | Very high | 85 | Confident | 14 Ų | 14 | 48 Ų | 48 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 117.5 | -179.3 | -80.8 | -50.3 | 0 | 0 | 0 | 110.2 | V34 M38 I89 N163 | V34-N91 HydrophobicContact CG1-CB 4.47Å; V34-N91 WeakPolarHBondContact CG1-ND2 3.31Å; M38-N91 HydrophobicContact CE-CB 3.73Å; I89-N91 WeakPolarHBondContact CG2-ND2 3.29Å; N91-N163 PolarHBondContact OD1-ND2 3.2Å |
| 92 | R | 94.5 | Very high | 86.8 | Confident | 48 Ų | 48 | 45.3 Ų | 45.3 | 18% | 0.181 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 148.3 | 175.5 | -178 | 161.7 | -73.3 | -167.5 | 1.4 | 112.7 | F94 E118 W135 I162 | R92-F94 HydrophobicContact CB-CD2 4.42Å; R92-F94 HydrophobicContact CB-CE2 3.83Å; R92-F94 HydrophobicContact CB-CZ 4.13Å; R92-F94 VanDerWaalsContact CD-CE1 3.5Å; R92-F94 HydrophobicContact CG-CD1 4.33Å; R92-F94 HydrophobicContact CG-CD2 4.05Å; R92-F94 HydrophobicContact CG-CE1 4.04Å; R92-F94 HydrophobicContact CG-CE2 3.69Å; R92-F94 HydrophobicContact CG-CG 4.38Å; R92-F94 HydrophobicContact CG-CZ 3.71Å; R92-E118 IonicContact CZ-OE2 2.71Å; R92-E118 IonicContact NH1-OE2 3.01Å; R92-E118 PolarHBondContact NH1-OE2 3.36Å; R92-W135 HydrophobicContact CB-CE3 4.38Å; R92-W135 HydrophobicContact CB-CH2 3.33Å; R92-W135 HydrophobicContact CB-CZ2 3.73Å; R92-W135 HydrophobicContact CB-CZ3 3.68Å; R92-W135 HydrophobicContact CG-CH2 4.37Å; R92-W135 HydrophobicContact CG-CZ2 4.34Å; R92-W135 VanDerWaalsContact CZ-CE2 3.45Å; R92-I162 PolarHBondContact N-O 2.81Å; R92-I162 VanDerWaalsContact N-O 3.15Å; R92-I162 PolarHBondContact O-N 3.44Å |
| 93 | L | 95.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 130.3 | 165.5 | -59.6 | -178.8 | 0 | 0 | 0 | 108.5 | M38 T39 F105 I117 E118 L159 L161 | M38-L93 HydrophobicContact CB-CD1 4.13Å; M38-L93 HydrophobicContact CB-CG 4.39Å; M38-L93 HydrophobicContact CE-CG 4.42Å; T39-L93 WeakPolarHBondContact OG1-CD2 3.43Å; L93-F105 HydrophobicContact CD1-CE1 4.28Å; L93-F105 HydrophobicContact CD1-CZ 3.74Å; L93-I117 HydrophobicContact CB-CB 4.1Å; L93-I117 HydrophobicContact CB-CD1 4Å; L93-I117 HydrophobicContact CB-CG1 3.84Å; L93-I117 HydrophobicContact CD1-CD1 4.44Å; L93-I117 VanDerWaalsContact O-CA 3.3Å; L93-I117 WeakPolarHBondContact O-CA 3.4Å; L93-E118 PolarHBondContact O-N 3.44Å; L93-L159 HydrophobicContact CB-CD1 4.08Å; L93-L161 HydrophobicContact CD2-CB 4.37Å; L93-L161 HydrophobicContact CD2-CD1 3.69Å; L93-L161 HydrophobicContact CD2-CG 3.56Å |
| 94 | F | 96.5 | Very high | 90 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.5 | 171.3 | -63.6 | -85.6 | 0 | 0 | 0 | 108.6 | R92 E118 L120 F122 I132 W135 L159 V160 I162 | R92-F94 HydrophobicContact CB-CD2 4.42Å; R92-F94 HydrophobicContact CB-CE2 3.83Å; R92-F94 HydrophobicContact CB-CZ 4.13Å; R92-F94 VanDerWaalsContact CD-CE1 3.5Å; R92-F94 HydrophobicContact CG-CD1 4.33Å; R92-F94 HydrophobicContact CG-CD2 4.05Å; R92-F94 HydrophobicContact CG-CE1 4.04Å; R92-F94 HydrophobicContact CG-CE2 3.69Å; R92-F94 HydrophobicContact CG-CG 4.38Å; R92-F94 HydrophobicContact CG-CZ 3.71Å; F94-E118 CarbonylContact C-O 3.59Å; F94-E118 WeakPolarHBondContact CA-O 3.23Å; F94-E118 HydrophobicContact CD1-CB 3.79Å; F94-E118 HydrophobicContact CD1-CG 4.22Å; F94-E118 HydrophobicContact CE1-CB 4.05Å; F94-E118 HydrophobicContact CE1-CG 4.34Å; F94-E118 VanDerWaalsContact CE1-OE2 3.24Å; F94-E118 WeakPolarHBondContact CE1-OE2 2.83Å; F94-L120 HydrophobicContact CB-CD1 4.26Å; F94-L120 HydrophobicContact CD1-CD1 3.35Å; F94-L120 HydrophobicContact CD1-CG 4.04Å; F94-L120 HydrophobicContact CE1-CD1 3.92Å; F94-L120 HydrophobicContact CG-CD1 4.1Å; F94-F122 HydrophobicContact CB-CE1 4.49Å; F94-F122 HydrophobicContact CB-CZ 4.07Å; F94-F122 WeakPolarHBondContact O-CZ 3.38Å; F94-I132 HydrophobicContact CB-CD1 4.33Å; F94-I132 HydrophobicContact CD1-CG1 4.1Å; F94-I132 HydrophobicContact CD2-CD1 4.17Å; F94-I132 HydrophobicContact CD2-CG1 3.98Å; F94-I132 HydrophobicContact CD2-CG2 4.39Å; F94-I132 HydrophobicContact CE1-CG1 4.07Å; F94-I132 HydrophobicContact CE2-CB 4.46Å; F94-I132 HydrophobicContact CE2-CG1 3.99Å; F94-I132 HydrophobicContact CE2-CG2 3.96Å; F94-I132 HydrophobicContact CG-CD1 4.13Å; F94-I132 HydrophobicContact CG-CG1 4.01Å; F94-I132 HydrophobicContact CZ-CB 4.49Å; F94-I132 HydrophobicContact CZ-CG1 4Å; F94-I132 HydrophobicContact CZ-CG2 4.39Å; F94-W135 HydrophobicContact CE2-CE3 4.26Å; F94-W135 HydrophobicContact CZ-CB 4.47Å; F94-W135 AromaticContact CZ-CD2 4Å; F94-W135 HydrophobicContact CZ-CD2 4Å; F94-W135 AromaticContact CZ-CE3 3.92Å; F94-W135 HydrophobicContact CZ-CE3 3.92Å; F94-W135 HydrophobicContact CZ-CG 4.22Å; F94-L159 CarbonylContact O-C 3.5Å; F94-L159 WeakPolarHBondContact O-CA 3.07Å; F94-V160 HydrophobicContact CB-CB 4.39Å; F94-V160 PolarHBondContact N-O 2.95Å; F94-V160 PolarHBondContact O-N 3.22Å; F94-I162 HydrophobicContact CD2-CB 4.43Å; F94-I162 HydrophobicContact CD2-CG1 3.68Å; F94-I162 HydrophobicContact CE2-CB 4.13Å; F94-I162 HydrophobicContact CE2-CG1 3.66Å |
| 95 | A | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 157.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | L99 I117 E118 L119 L120 F122 R158 L159 | A95-L99 HydrophobicContact CB-CD1 3.9Å; A95-I117 HydrophobicContact CB-CD1 3.88Å; A95-I117 HydrophobicContact CB-CG1 4.24Å; A95-E118 PolarHBondContact N-O 3.45Å; A95-L119 HydrophobicContact CB-CD2 3.97Å; A95-L119 CarbonylContact O-C 3.5Å; A95-L119 VanDerWaalsContact O-CA 3.32Å; A95-L119 WeakPolarHBondContact O-CA 3.25Å; A95-L120 PolarHBondContact O-N 3.26Å; A95-F122 VanDerWaalsContact C-CE2 3.47Å; A95-R158 CarbonylContact C-O 3.34Å; A95-R158 VanDerWaalsContact CA-O 3.29Å; A95-R158 WeakPolarHBondContact CA-O 3.25Å; A95-L159 HydrophobicContact CB-CD1 4.04Å |
| 96 | Q | 95.5 | Very high | 91.8 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 140 | -179.2 | 178.3 | 56 | 37.4 | 0 | 0 | 110.8 | L99 L120 D121 F122 R158 | Q96-L99 HydrophobicContact CB-CD1 4.33Å; Q96-L99 VanDerWaalsContact O-CD1 3.28Å; Q96-L99 WeakPolarHBondContact O-CD1 3.35Å; Q96-L99 VanDerWaalsContact O-CG 3.28Å; Q96-L99 WeakPolarHBondContact O-CG 3.34Å; Q96-L120 CarbonylContact C-O 3.58Å; Q96-L120 WeakPolarHBondContact CA-O 3.13Å; Q96-D121 PolarHBondContact NE2-OD1 2.99Å; Q96-F122 HydrophobicContact CB-CD2 3.89Å; Q96-F122 HydrophobicContact CB-CE2 4.23Å; Q96-F122 VanDerWaalsContact N-CE2 3.31Å; Q96-F122 VanDerWaalsContact OE1-CD2 3.22Å; Q96-R158 PolarHBondContact N-O 2.81Å |
| 97 | S | 88.1 | Confident | 92.3 | Very high | 26 Ų | 26 | 54.5 Ų | 54.5 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 152.8 | 172.1 | 62.2 | 0 | 0 | 0 | 0 | 111.3 | L120 | S97-L120 PolarHBondContact N-O 2.94Š|
| 98 | N | 86.7 | Confident | 92.5 | Very high | 157 Ų | 157 | 61.3 Ų | 61.3 | 84% | 0.84 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 7.3 | -176.6 | -43.9 | -42.6 | 0 | 0 | 0 | 116.4 | ||
| 99 | L | 87.8 | Confident | 92.7 | Very high | 25 Ų | 25 | 60.6 Ų | 60.6 | 13% | 0.131 | 28% | 0.279 | C | S | . | . | trans | -81.3 | 129.9 | 170.3 | -64.9 | 170.8 | 0 | 0 | 0 | 111 | A95 Q96 M101 T300 L305 | A95-L99 HydrophobicContact CB-CD1 3.9Å; Q96-L99 HydrophobicContact CB-CD1 4.33Å; Q96-L99 VanDerWaalsContact O-CD1 3.28Å; Q96-L99 WeakPolarHBondContact O-CD1 3.35Å; Q96-L99 VanDerWaalsContact O-CG 3.28Å; Q96-L99 WeakPolarHBondContact O-CG 3.34Å; L99-M101 PolarHBondContact O-N 2.73Å; L99-T300 HydrophobicContact CB-CG2 4.33Å; L99-T300 HydrophobicContact CD2-CG2 4.35Å; L99-L305 HydrophobicContact CD1-CD1 3.32Å; L99-L305 HydrophobicContact CD2-CD1 4.41Å; L99-L305 HydrophobicContact CG-CD1 4.5Å | ||
| 100 | Q | 87.9 | Confident | 92.8 | Very high | 156 Ų | 156 | 64.1 Ų | 64.1 | 73% | 0.729 | 29% | 0.294 | S | S | * | . | trans | -79.7 | 102.1 | 172.7 | -170.5 | 178.1 | 22.3 | 0 | 0 | 109.9 | T300 | Q100-T300 WeakPolarHBondContact O-CA 3.47Š| ||
| 101 | M | 90.9 | Very high | 92.8 | Very high | 32 Ų | 32 | 70.8 Ų | 70.8 | 16% | 0.158 | 32% | 0.323 | C | S | . | . | trans | -77.3 | 130 | -178.6 | -71.7 | -58.5 | -48.8 | 0 | 0 | 112.3 | L99 P103 F105 I117 L119 I299 | L99-M101 PolarHBondContact O-N 2.73Å; M101-P103 WeakPolarHBondContact O-CD 3.49Å; M101-F105 HydrophobicContact CE-CD1 3.43Å; M101-F105 VanDerWaalsContact CE-CD1 3.43Å; M101-F105 HydrophobicContact CE-CE1 3.87Å; M101-F105 HydrophobicContact CE-CG 4.44Å; M101-I117 HydrophobicContact CE-CD1 3.88Å; M101-I117 HydrophobicContact CE-CG2 3.62Å; M101-I117 HydrophobicContact SD-CD1 4.02Å; M101-I117 HydrophobicContact SD-CG2 4.43Å; M101-L119 HydrophobicContact CG-CD1 4.27Å; M101-L119 HydrophobicContact CG-CD2 4.01Å; M101-L119 HydrophobicContact CG-CG 4.49Å; M101-L119 HydrophobicContact SD-CD2 4.33Å; M101-I299 HydrophobicContact CE-CB 4.49Å; M101-I299 HydrophobicContact CE-CG2 3.29Å; M101-I299 HydrophobicContact SD-CG2 3.6Å | ||
| 102 | L | 95 | Very high | 92.7 | Very high | 62 Ų | 62 | 72.1 Ų | 72.1 | 33% | 0.325 | 33% | 0.329 | S | S | . | . | trans | -70.3 | 124.3 | 174.8 | -68.7 | 179.9 | 0 | 0 | 0 | 110.6 | R104 F105 R106 I299 | L102-R104 PolarHBondContact O-N 2.79Å; L102-R104 VanDerWaalsContact O-N 3.1Å; L102-F105 HydrophobicContact CB-CB 4.46Å; L102-F105 WeakPolarHBondContact O-CB 3.08Å; L102-F105 PolarHBondContact O-N 2.9Å; L102-R106 PolarHBondContact O-N 3.17Å; L102-I299 WeakPolarHBondContact CB-O 3.3Å; L102-I299 PolarHBondContact N-O 3.44Å | ||
| 103 | P | 94.4 | Very high | 92.5 | Very high | 91 Ų | 91 | 70 Ų | 70 | 59% | 0.591 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -57.6 | -31.7 | 179 | -27.3 | 35 | 0 | 0 | 0 | 113.3 | M101 F105 K107 | M101-P103 WeakPolarHBondContact O-CD 3.49Å; P103-F105 VanDerWaalsContact C-N 3.32Å; P103-F105 PolarHBondContact O-N 3.24Å; P103-K107 WeakPolarHBondContact O-CB 3.47Å; P103-K107 VanDerWaalsContact O-CG 3.32Å; P103-K107 WeakPolarHBondContact O-CG 3.44Å; P103-K107 PolarHBondContact O-N 3.03Å |
| 104 | R | 94.9 | Very high | 92.1 | Very high | 206 Ų | 206 | 73 Ų | 73 | 78% | 0.777 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.5 | -35.2 | 177 | -69.9 | -175.8 | 178.9 | 179.6 | -0.1 | 112.5 | L102 R108 | L102-R104 PolarHBondContact O-N 2.79Å; L102-R104 VanDerWaalsContact O-N 3.1Å; R104-R108 VanDerWaalsContact O-CG 3.3Å; R104-R108 WeakPolarHBondContact O-CG 3.46Å; R104-R108 PolarHBondContact O-N 3.3Å |
| 105 | F | 94.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 73.4 Ų | 73.4 | 2% | 0.018 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.3 | -53.8 | 177 | 174.5 | -105.1 | 0 | 0 | 0 | 111 | V41 L93 M101 L102 P103 K107 R108 I109 I117 K298 I299 | V41-F105 HydrophobicContact CB-CD2 4.47Å; V41-F105 HydrophobicContact CB-CE2 4.15Å; V41-F105 HydrophobicContact CG1-CD2 3.9Å; V41-F105 HydrophobicContact CG1-CE2 4.06Å; L93-F105 HydrophobicContact CD1-CE1 4.28Å; L93-F105 HydrophobicContact CD1-CZ 3.74Å; M101-F105 HydrophobicContact CE-CD1 3.43Å; M101-F105 VanDerWaalsContact CE-CD1 3.43Å; M101-F105 HydrophobicContact CE-CE1 3.87Å; M101-F105 HydrophobicContact CE-CG 4.44Å; L102-F105 HydrophobicContact CB-CB 4.46Å; L102-F105 WeakPolarHBondContact O-CB 3.08Å; L102-F105 PolarHBondContact O-N 2.9Å; P103-F105 VanDerWaalsContact C-N 3.32Å; P103-F105 PolarHBondContact O-N 3.24Å; F105-K107 VanDerWaalsContact C-N 3.3Å; F105-K107 PolarHBondContact O-N 3.2Å; F105-R108 WeakPolarHBondContact O-CB 3.46Å; F105-R108 PolarHBondContact O-N 3.23Å; F105-I109 HydrophobicContact CD1-CD1 4.35Å; F105-I109 HydrophobicContact CD2-CG2 4.34Å; F105-I109 HydrophobicContact CE1-CD1 3.8Å; F105-I109 HydrophobicContact CE1-CG2 4.32Å; F105-I109 HydrophobicContact CE2-CG2 3.75Å; F105-I109 HydrophobicContact CZ-CD1 4.18Å; F105-I109 HydrophobicContact CZ-CG2 3.76Å; F105-I109 PolarHBondContact O-N 2.74Å; F105-I117 HydrophobicContact CD1-CG2 4.42Å; F105-I117 HydrophobicContact CE1-CB 4.36Å; F105-I117 HydrophobicContact CE1-CD1 4.08Å; F105-I117 HydrophobicContact CE1-CG2 4.13Å; F105-K298 WeakPolarHBondContact CB-O 3.48Å; F105-I299 HydrophobicContact CD1-CG1 4.41Å; F105-I299 HydrophobicContact CD1-CG2 4.13Å; F105-I299 HydrophobicContact CD2-CG1 4Å; F105-I299 HydrophobicContact CE1-CD1 4.32Å; F105-I299 HydrophobicContact CE1-CG1 4.21Å; F105-I299 HydrophobicContact CE1-CG2 4.09Å; F105-I299 HydrophobicContact CE2-CD1 4.11Å; F105-I299 HydrophobicContact CE2-CG1 3.82Å; F105-I299 HydrophobicContact CG-CG1 4.3Å; F105-I299 HydrophobicContact CZ-CD1 3.85Å; F105-I299 HydrophobicContact CZ-CG1 3.92Å |
| 106 | R | 93.2 | Very high | 91.2 | Very high | 110 Ų | 110 | 75.4 Ų | 75.4 | 42% | 0.415 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -53.1 | -47.2 | 177.2 | -179.3 | 172.5 | -103 | 174.3 | -8.3 | 111.5 | L102 R108 I109 Q110 D116 I117 | L102-R106 PolarHBondContact O-N 3.17Å; R106-R108 VanDerWaalsContact C-N 3.3Å; R106-R108 PolarHBondContact O-N 3.48Å; R106-I109 VanDerWaalsContact O-CG1 3.3Å; R106-I109 WeakPolarHBondContact O-CG1 3.3Å; R106-I109 PolarHBondContact O-N 3.42Å; R106-Q110 VanDerWaalsContact O-CB 3.3Å; R106-Q110 WeakPolarHBondContact O-CB 3.08Å; R106-Q110 PolarHBondContact O-N 3.49Å; R106-D116 WeakPolarHBondContact CG-OD1 3.18Å; R106-D116 IonicContact CZ-OD1 3.97Å; R106-D116 IonicContact CZ-OD2 2.65Å; R106-D116 IonicContact NE-OD1 3.94Å; R106-D116 PolarHBondContact NE-OD1 3.3Å; R106-D116 IonicContact NE-OD2 2.61Å; R106-D116 PolarHBondContact NE-OD2 3.09Å; R106-D116 IonicContact NH2-OD1 3.25Å; R106-D116 PolarHBondContact NH2-OD1 2.92Å; R106-D116 IonicContact NH2-OD2 2.72Å; R106-D116 PolarHBondContact NH2-OD2 2.8Å; R106-I117 PolarHBondContact NH2-O 2.96Å |
| 107 | K | 94.5 | Very high | 91 | Very high | 157 Ų | 157 | 74.7 Ų | 74.7 | 68% | 0.683 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.2 | -38.2 | 175.7 | -75.9 | -177.8 | -179.8 | -172.5 | 0 | 113.1 | P103 F105 K111 | P103-K107 WeakPolarHBondContact O-CB 3.47Å; P103-K107 VanDerWaalsContact O-CG 3.32Å; P103-K107 WeakPolarHBondContact O-CG 3.44Å; P103-K107 PolarHBondContact O-N 3.03Å; F105-K107 VanDerWaalsContact C-N 3.3Å; F105-K107 PolarHBondContact O-N 3.2Å; K107-K111 WeakPolarHBondContact O-CB 3.39Å; K107-K111 PolarHBondContact O-N 3.21Å |
| 108 | R | 93.3 | Very high | 91.4 | Very high | 143 Ų | 143 | 75.5 Ų | 75.5 | 54% | 0.54 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -72.9 | -46 | -179.5 | -76.3 | 176.7 | 175.6 | -166.4 | -3.7 | 112.1 | V41 R104 F105 R106 Q110 K111 H112 | V41-R108 HydrophobicContact CG1-CB 3.65Å; V41-R108 HydrophobicContact CG1-CG 4.47Å; R104-R108 VanDerWaalsContact O-CG 3.3Å; R104-R108 WeakPolarHBondContact O-CG 3.46Å; R104-R108 PolarHBondContact O-N 3.3Å; F105-R108 WeakPolarHBondContact O-CB 3.46Å; F105-R108 PolarHBondContact O-N 3.23Å; R106-R108 VanDerWaalsContact C-N 3.3Å; R106-R108 PolarHBondContact O-N 3.48Å; R108-Q110 VanDerWaalsContact C-N 3.32Å; R108-Q110 PolarHBondContact O-N 3.43Å; R108-K111 PolarHBondContact O-N 2.83Å; R108-H112 WeakPolarHBondContact O-CB 3.32Å; R108-H112 PolarHBondContact O-CD2 2.98Å; R108-H112 VanDerWaalsContact O-CD2 3.3Å; R108-H112 PolarHBondContact O-N 3.39Å |
| 109 | I | 93.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.3 | -36.9 | 177.8 | 61.3 | 169.8 | 0 | 0 | 0 | 111.3 | M38 V41 F105 R106 Y113 S114 A115 I117 | M38-I109 HydrophobicContact CB-CG2 4.21Å; V41-I109 HydrophobicContact CB-CG2 4.27Å; V41-I109 HydrophobicContact CG1-CG2 4.24Å; F105-I109 HydrophobicContact CD1-CD1 4.35Å; F105-I109 HydrophobicContact CD2-CG2 4.34Å; F105-I109 HydrophobicContact CE1-CD1 3.8Å; F105-I109 HydrophobicContact CE1-CG2 4.32Å; F105-I109 HydrophobicContact CE2-CG2 3.75Å; F105-I109 HydrophobicContact CZ-CD1 4.18Å; F105-I109 HydrophobicContact CZ-CG2 3.76Å; F105-I109 PolarHBondContact O-N 2.74Å; R106-I109 VanDerWaalsContact O-CG1 3.3Å; R106-I109 WeakPolarHBondContact O-CG1 3.3Å; R106-I109 PolarHBondContact O-N 3.42Å; I109-Y113 CarbonylContact O-C 3.55Å; I109-Y113 WeakPolarHBondContact O-CA 3.38Å; I109-Y113 WeakPolarHBondContact O-CB 3.4Å; I109-Y113 PolarHBondContact O-N 2.97Å; I109-S114 PolarHBondContact O-N 3.33Å; I109-A115 CarbonylContact C-O 3.59Å; I109-I117 HydrophobicContact CD1-CB 4.15Å; I109-I117 HydrophobicContact CD1-CG2 4.2Å |
| 110 | Q | 92.4 | Very high | 92.2 | Very high | 99 Ų | 99 | 71.2 Ų | 71.2 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 173.7 | -173.4 | 63.6 | 47.6 | 0 | 0 | 111.5 | R106 R108 S114 A115 | R106-Q110 VanDerWaalsContact O-CB 3.3Å; R106-Q110 WeakPolarHBondContact O-CB 3.08Å; R106-Q110 PolarHBondContact O-N 3.49Å; R108-Q110 VanDerWaalsContact C-N 3.32Å; R108-Q110 PolarHBondContact O-N 3.43Å; Q110-S114 WeakPolarHBondContact O-CA 3.48Å; Q110-S114 PolarHBondContact O-N 2.96Å; Q110-S114 VanDerWaalsContact O-N 3.15Å; Q110-A115 VanDerWaalsContact CA-O 3.3Å; Q110-A115 WeakPolarHBondContact CA-O 3.3Å; Q110-A115 PolarHBondContact N-O 2.97Å; Q110-A115 PolarHBondContact OE1-O 3.33Å |
| 111 | K | 91.3 | Very high | 92.6 | Very high | 142 Ų | 142 | 66.3 Ų | 66.3 | 62% | 0.617 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.6 | -46.4 | -179.2 | 177 | 179.5 | 177.7 | 178.7 | 0 | 112.5 | K74 K107 R108 | K74-K111 WeakPolarHBondContact CE-O 3.18Å; K74-K111 PolarHBondContact NZ-O 3.3Å; K107-K111 WeakPolarHBondContact O-CB 3.39Å; K107-K111 PolarHBondContact O-N 3.21Å; R108-K111 PolarHBondContact O-N 2.83Å |
| 112 | H | 90.4 | Very high | 92.8 | Very high | 41 Ų | 41 | 64.8 Ų | 64.8 | 19% | 0.19 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -89.5 | -41.6 | -171.3 | -72.3 | -74.3 | 0 | 0 | 0 | 112.2 | N66 G70 R108 | N66-H112 HydrophobicContact CB-CB 4.36Å; N66-H112 PolarHBondContact O-ND1 3.31Å; G70-H112 WeakPolarHBondContact CA-O 3.3Å; R108-H112 WeakPolarHBondContact O-CB 3.32Å; R108-H112 PolarHBondContact O-CD2 2.98Å; R108-H112 VanDerWaalsContact O-CD2 3.3Å; R108-H112 PolarHBondContact O-N 3.39Å |
| 113 | Y | 90.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 68.9 Ų | 68.9 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -112.7 | 2.6 | -169.5 | -61.7 | -74.6 | 0 | 0 | 0 | 113.8 | V34 G37 M38 V41 N66 M69 L73 I109 A115 | V34-Y113 HydrophobicContact CG1-CD1 3.82Å; V34-Y113 HydrophobicContact CG1-CE1 4.33Å; G37-Y113 VanDerWaalsContact CA-OH 3.32Å; G37-Y113 WeakPolarHBondContact CA-OH 3.43Å; M38-Y113 HydrophobicContact CB-CD2 4.44Å; M38-Y113 HydrophobicContact CG-CD1 4.27Å; M38-Y113 HydrophobicContact CG-CD2 3.66Å; M38-Y113 HydrophobicContact CG-CE2 4.32Å; M38-Y113 HydrophobicContact CG-CG 3.62Å; V41-Y113 HydrophobicContact CG2-CE2 3.97Å; N66-Y113 PolarHBondContact OD1-OH 3.39Å; M69-Y113 HydrophobicContact CB-CE1 3.72Å; M69-Y113 HydrophobicContact SD-CE1 4.29Å; L73-Y113 HydrophobicContact CD2-CD1 4.26Å; L73-Y113 VanDerWaalsContact CD2-O 3.27Å; L73-Y113 WeakPolarHBondContact CD2-O 3.42Å; I109-Y113 CarbonylContact O-C 3.55Å; I109-Y113 WeakPolarHBondContact O-CA 3.38Å; I109-Y113 WeakPolarHBondContact O-CB 3.4Å; I109-Y113 PolarHBondContact O-N 2.97Å; Y113-A115 PolarHBondContact O-N 2.97Å |
| 114 | S | 87.2 | Confident | 92.8 | Very high | 64 Ų | 64 | 69.8 Ų | 69.8 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 50.7 | 32 | -174.1 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | I109 Q110 | I109-S114 PolarHBondContact O-N 3.33Å; Q110-S114 WeakPolarHBondContact O-CA 3.48Å; Q110-S114 PolarHBondContact O-N 2.96Å; Q110-S114 VanDerWaalsContact O-N 3.15Å |
| 115 | A | 87.7 | Confident | 92.8 | Very high | 7 Ų | 7 | 61.2 Ų | 61.2 | 6% | 0.058 | 28% | 0.283 | C | S | . | . | trans | -125.1 | 160.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | M38 I109 Q110 Y113 | M38-A115 HydrophobicContact SD-CB 3.23Å; M38-A115 WeakPolarHBondContact SD-CB 3.4Å; I109-A115 CarbonylContact C-O 3.59Å; Q110-A115 VanDerWaalsContact CA-O 3.3Å; Q110-A115 WeakPolarHBondContact CA-O 3.3Å; Q110-A115 PolarHBondContact N-O 2.97Å; Q110-A115 PolarHBondContact OE1-O 3.33Å; Y113-A115 PolarHBondContact O-N 2.97Å | ||
| 116 | D | 84.7 | Confident | 92.8 | Very high | 42 Ų | 42 | 65.8 Ų | 65.8 | 23% | 0.225 | 32% | 0.315 | C | S | . | . | trans | -128.8 | 168.4 | 176.8 | -161.7 | 11.1 | 0 | 0 | 0 | 110.7 | R106 | R106-D116 WeakPolarHBondContact CG-OD1 3.18Å; R106-D116 IonicContact CZ-OD1 3.97Å; R106-D116 IonicContact CZ-OD2 2.65Å; R106-D116 IonicContact NE-OD1 3.94Å; R106-D116 PolarHBondContact NE-OD1 3.3Å; R106-D116 IonicContact NE-OD2 2.61Å; R106-D116 PolarHBondContact NE-OD2 3.09Å; R106-D116 IonicContact NH2-OD1 3.25Å; R106-D116 PolarHBondContact NH2-OD1 2.92Å; R106-D116 IonicContact NH2-OD2 2.72Å; R106-D116 PolarHBondContact NH2-OD2 2.8Å | ||
| 117 | I | 92.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 131.3 | 167.6 | -175.4 | 162.1 | 0 | 0 | 0 | 109.2 | L93 A95 M101 F105 R106 I109 L159 I299 | L93-I117 HydrophobicContact CB-CB 4.1Å; L93-I117 HydrophobicContact CB-CD1 4Å; L93-I117 HydrophobicContact CB-CG1 3.84Å; L93-I117 HydrophobicContact CD1-CD1 4.44Å; L93-I117 VanDerWaalsContact O-CA 3.3Å; L93-I117 WeakPolarHBondContact O-CA 3.4Å; A95-I117 HydrophobicContact CB-CD1 3.88Å; A95-I117 HydrophobicContact CB-CG1 4.24Å; M101-I117 HydrophobicContact CE-CD1 3.88Å; M101-I117 HydrophobicContact CE-CG2 3.62Å; M101-I117 HydrophobicContact SD-CD1 4.02Å; M101-I117 HydrophobicContact SD-CG2 4.43Å; F105-I117 HydrophobicContact CD1-CG2 4.42Å; F105-I117 HydrophobicContact CE1-CB 4.36Å; F105-I117 HydrophobicContact CE1-CD1 4.08Å; F105-I117 HydrophobicContact CE1-CG2 4.13Å; R106-I117 PolarHBondContact NH2-O 2.96Å; I109-I117 HydrophobicContact CD1-CB 4.15Å; I109-I117 HydrophobicContact CD1-CG2 4.2Å; I117-L159 HydrophobicContact CD1-CD1 4.3Å; I117-I299 HydrophobicContact CD1-CG2 4.32Å |
| 118 | E | 95.3 | Very high | 93 | Very high | 43 Ų | 43 | 59.3 Ų | 59.3 | 20% | 0.201 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 138.9 | 179.3 | -175 | 170 | 177.3 | 0 | 0 | 110.2 | R92 L93 F94 A95 L120 H131 | R92-E118 IonicContact CZ-OE2 2.71Å; R92-E118 IonicContact NH1-OE2 3.01Å; R92-E118 PolarHBondContact NH1-OE2 3.36Å; L93-E118 PolarHBondContact O-N 3.44Å; F94-E118 CarbonylContact C-O 3.59Å; F94-E118 WeakPolarHBondContact CA-O 3.23Å; F94-E118 HydrophobicContact CD1-CB 3.79Å; F94-E118 HydrophobicContact CD1-CG 4.22Å; F94-E118 HydrophobicContact CE1-CB 4.05Å; F94-E118 HydrophobicContact CE1-CG 4.34Å; F94-E118 VanDerWaalsContact CE1-OE2 3.24Å; F94-E118 WeakPolarHBondContact CE1-OE2 2.83Å; A95-E118 PolarHBondContact N-O 3.45Å; E118-L120 HydrophobicContact CG-CD2 4.03Å; E118-L120 HydrophobicContact CG-CG 4.24Å; E118-H131 IonicContact OE1-CD2 3.77Å; E118-H131 IonicContact OE1-CE1 2.61Å; E118-H131 PolarHBondContact OE1-CE1 3.15Å; E118-H131 IonicContact OE1-NE2 3.73Å; E118-H131 PolarHBondContact OE1-NE2 2.97Å; E118-H131 IonicContact OE2-NE2 3.05Å |
| 119 | L | 95.3 | Very high | 93.1 | Very high | 71 Ų | 71 | 52.8 Ų | 52.8 | 37% | 0.372 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 119.9 | 178.8 | -60.1 | -176.6 | 0 | 0 | 0 | 109.3 | A95 M101 | A95-L119 HydrophobicContact CB-CD2 3.97Å; A95-L119 CarbonylContact O-C 3.5Å; A95-L119 VanDerWaalsContact O-CA 3.32Å; A95-L119 WeakPolarHBondContact O-CA 3.25Å; M101-L119 HydrophobicContact CG-CD1 4.27Å; M101-L119 HydrophobicContact CG-CD2 4.01Å; M101-L119 HydrophobicContact CG-CG 4.49Å; M101-L119 HydrophobicContact SD-CD2 4.33Å |
| 120 | L | 96.2 | Very high | 93.2 | Very high | 21 Ų | 21 | 58.8 Ų | 58.8 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 152.6 | -178.3 | -61 | -179.2 | 0 | 0 | 0 | 110.8 | F94 A95 Q96 S97 E118 F122 T128 I132 | F94-L120 HydrophobicContact CB-CD1 4.26Å; F94-L120 HydrophobicContact CD1-CD1 3.35Å; F94-L120 HydrophobicContact CD1-CG 4.04Å; F94-L120 HydrophobicContact CE1-CD1 3.92Å; F94-L120 HydrophobicContact CG-CD1 4.1Å; A95-L120 PolarHBondContact O-N 3.26Å; Q96-L120 CarbonylContact C-O 3.58Å; Q96-L120 WeakPolarHBondContact CA-O 3.13Å; S97-L120 PolarHBondContact N-O 2.94Å; E118-L120 HydrophobicContact CG-CD2 4.03Å; E118-L120 HydrophobicContact CG-CG 4.24Å; L120-F122 HydrophobicContact CB-CE1 4.37Å; L120-F122 PolarHBondContact O-N 3.01Å; L120-T128 HydrophobicContact CB-CG2 3.91Å; L120-T128 HydrophobicContact CD1-CG2 3.7Å; L120-T128 HydrophobicContact CG-CG2 4.45Å; L120-I132 HydrophobicContact CD1-CD1 4.34Å; L120-I132 HydrophobicContact CD1-CG1 3.99Å |
| 121 | D | 96.4 | Very high | 93.5 | Very high | 53 Ų | 53 | 57.7 Ų | 57.7 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | trans | -89.7 | 93.9 | 175.1 | -173.2 | 12.4 | 0 | 0 | 0 | 111.8 | Q96 K123 K124 T128 | Q96-D121 PolarHBondContact NE2-OD1 2.99Å; D121-K123 PolarHBondContact O-N 3.34Å; D121-K123 WeakPolarHBondContact OD1-CB 3.3Å; D121-K123 WeakPolarHBondContact OD1-CG 3.24Å; D121-K123 PolarHBondContact OD1-N 3.15Å; D121-K124 WeakPolarHBondContact O-CB 3.4Å; D121-K124 PolarHBondContact O-N 2.9Å; D121-T128 PolarHBondContact O-OG1 3.07Å | ||
| 122 | F | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -10.4 | -178.9 | -60.7 | -55.2 | 0 | 0 | 0 | 114.3 | F94 A95 Q96 L120 K124 S125 T128 I132 I153 T157 V160 | F94-F122 HydrophobicContact CB-CE1 4.49Å; F94-F122 HydrophobicContact CB-CZ 4.07Å; F94-F122 WeakPolarHBondContact O-CZ 3.38Å; A95-F122 VanDerWaalsContact C-CE2 3.47Å; Q96-F122 HydrophobicContact CB-CD2 3.89Å; Q96-F122 HydrophobicContact CB-CE2 4.23Å; Q96-F122 VanDerWaalsContact N-CE2 3.31Å; Q96-F122 VanDerWaalsContact OE1-CD2 3.22Å; L120-F122 HydrophobicContact CB-CE1 4.37Å; L120-F122 PolarHBondContact O-N 3.01Å; F122-K124 PolarHBondContact O-N 3.34Å; F122-S125 PolarHBondContact O-N 3.14Å; F122-S125 PolarHBondContact O-OG 2.85Å; F122-T128 HydrophobicContact CD1-CG2 3.36Å; F122-T128 HydrophobicContact CE1-CG2 3.52Å; F122-I132 HydrophobicContact CE1-CD1 4.39Å; F122-I153 HydrophobicContact CB-CG2 3.94Å; F122-I153 HydrophobicContact CD1-CD1 4.41Å; F122-I153 HydrophobicContact CD1-CG2 3.57Å; F122-I153 HydrophobicContact CE1-CD1 4.33Å; F122-I153 HydrophobicContact CE1-CG2 4.47Å; F122-I153 HydrophobicContact CG-CG2 4.15Å; F122-T157 HydrophobicContact CB-CG2 4.43Å; F122-T157 HydrophobicContact CD1-CG2 4.01Å; F122-T157 HydrophobicContact CD2-CG2 3.57Å; F122-T157 WeakPolarHBondContact CD2-O 3.44Å; F122-T157 HydrophobicContact CE1-CG2 4.11Å; F122-T157 HydrophobicContact CE2-CG2 3.64Å; F122-T157 HydrophobicContact CG-CG2 3.76Å; F122-T157 HydrophobicContact CZ-CG2 3.93Å; F122-V160 HydrophobicContact CE1-CG2 4.1Å; F122-V160 HydrophobicContact CZ-CG2 3.85Å |
| 123 | K | 94.6 | Very high | 94 | Very high | 149 Ų | 149 | 49.6 Ų | 49.6 | 65% | 0.648 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -30.9 | 168 | -63.6 | -178.7 | 179.4 | -179.1 | 0 | 111.4 | D121 S125 | D121-K123 PolarHBondContact O-N 3.34Å; D121-K123 WeakPolarHBondContact OD1-CB 3.3Å; D121-K123 WeakPolarHBondContact OD1-CG 3.24Å; D121-K123 PolarHBondContact OD1-N 3.15Å; K123-S125 PolarHBondContact O-N 3.25Å; K123-S125 VanDerWaalsContact O-N 3.15Å |
| 124 | K | 95.5 | Very high | 94.4 | Very high | 109 Ų | 109 | 52.8 Ų | 52.8 | 47% | 0.474 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -86.6 | 65.5 | 170.3 | -55.3 | -162.9 | -174.7 | -174.6 | 0 | 109.9 | D121 F122 S126 E127 T128 | D121-K124 WeakPolarHBondContact O-CB 3.4Å; D121-K124 PolarHBondContact O-N 2.9Å; F122-K124 PolarHBondContact O-N 3.34Å; K124-S126 PolarHBondContact O-N 3.45Å; K124-E127 HydrophobicContact CB-CB 4.27Å; K124-E127 WeakPolarHBondContact CD-OE2 3.38Å; K124-E127 IonicContact NZ-OE2 3.63Å; K124-E127 PolarHBondContact O-N 2.87Å; K124-T128 WeakPolarHBondContact O-CB 3.36Å; K124-T128 PolarHBondContact O-N 2.9Å; K124-T128 PolarHBondContact O-OG1 3.36Å |
| 125 | S | 94.5 | Very high | 94.9 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 19% | 0.189 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.6 | -45.3 | -164.8 | -55.7 | 0 | 0 | 0 | 0 | 113.6 | F122 K123 T128 C129 I153 | F122-S125 PolarHBondContact O-N 3.14Å; F122-S125 PolarHBondContact O-OG 2.85Å; K123-S125 PolarHBondContact O-N 3.25Å; K123-S125 VanDerWaalsContact O-N 3.15Å; S125-T128 PolarHBondContact O-N 3.05Å; S125-C129 VanDerWaalsContact O-CB 3.27Å; S125-C129 WeakPolarHBondContact O-CB 3.48Å; S125-C129 PolarHBondContact O-N 3.43Å; S125-I153 WeakPolarHBondContact CB-O 3.31Å |
| 126 | S | 94 | Very high | 95.3 | Very high | 99 Ų | 99 | 50.5 Ų | 50.5 | 69% | 0.692 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -65.9 | -46.5 | 179.3 | -171.1 | 0 | 0 | 0 | 0 | 112.8 | K124 T128 C129 K130 | K124-S126 PolarHBondContact O-N 3.45Å; S126-T128 VanDerWaalsContact C-N 3.33Å; S126-T128 PolarHBondContact O-N 3.01Å; S126-C129 PolarHBondContact O-N 2.92Å; S126-K130 PolarHBondContact O-N 3.12Å |
| 127 | E | 95.7 | Very high | 95.9 | Very high | 124 Ų | 124 | 51.2 Ų | 51.2 | 58% | 0.579 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.9 | -43.5 | 178.1 | -67.2 | 177.9 | -170.1 | 0 | 0 | 111 | K124 K130 H131 | K124-E127 HydrophobicContact CB-CB 4.27Å; K124-E127 WeakPolarHBondContact CD-OE2 3.38Å; K124-E127 IonicContact NZ-OE2 3.63Å; K124-E127 PolarHBondContact O-N 2.87Å; E127-K130 PolarHBondContact O-N 3.22Å; E127-H131 WeakPolarHBondContact O-CB 3.27Å; E127-H131 PolarHBondContact O-N 3.4Å |
| 128 | T | 96.3 | Very high | 96.1 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 178.7 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | L120 D121 F122 K124 S125 S126 H131 I132 I153 | L120-T128 HydrophobicContact CB-CG2 3.91Å; L120-T128 HydrophobicContact CD1-CG2 3.7Å; L120-T128 HydrophobicContact CG-CG2 4.45Å; D121-T128 PolarHBondContact O-OG1 3.07Å; F122-T128 HydrophobicContact CD1-CG2 3.36Å; F122-T128 HydrophobicContact CE1-CG2 3.52Å; K124-T128 WeakPolarHBondContact O-CB 3.36Å; K124-T128 PolarHBondContact O-N 2.9Å; K124-T128 PolarHBondContact O-OG1 3.36Å; S125-T128 PolarHBondContact O-N 3.05Å; S126-T128 VanDerWaalsContact C-N 3.33Å; S126-T128 PolarHBondContact O-N 3.01Å; T128-H131 PolarHBondContact O-N 3.31Å; T128-I132 HydrophobicContact CG2-CD1 4.03Å; T128-I132 WeakPolarHBondContact O-CG1 3.24Å; T128-I132 PolarHBondContact O-N 3.44Å; T128-I153 HydrophobicContact CG2-CG2 4.34Å |
| 129 | C | 96 | Very high | 95.9 | Very high | 6 Ų | 6 | 60.3 Ų | 60.3 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 175.7 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | S125 S126 H131 I132 N133 I148 P149 I153 | S125-C129 VanDerWaalsContact O-CB 3.27Å; S125-C129 WeakPolarHBondContact O-CB 3.48Å; S125-C129 PolarHBondContact O-N 3.43Å; S126-C129 PolarHBondContact O-N 2.92Å; C129-H131 PolarHBondContact O-N 3.47Å; C129-I132 PolarHBondContact O-N 3.07Å; C129-N133 PolarHBondContact O-N 3.45Å; C129-N133 VanDerWaalsContact O-N 3.08Å; C129-I148 HydrophobicContact CB-CD1 4.36Å; C129-P149 PolarHBondContact SG-O 2.82Å; C129-I153 HydrophobicContact CB-CG1 4.1Å |
| 130 | K | 96.1 | Very high | 95.7 | Very high | 126 Ų | 126 | 56.9 Ų | 56.9 | 55% | 0.548 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.3 | -47.1 | 176.1 | -174 | 179.7 | -177 | -64.2 | 0 | 111.6 | S126 E127 I132 N133 D134 | S126-K130 PolarHBondContact O-N 3.12Å; E127-K130 PolarHBondContact O-N 3.22Å; K130-I132 VanDerWaalsContact C-N 3.31Å; K130-I132 PolarHBondContact O-N 3.26Å; K130-N133 PolarHBondContact O-N 3.23Å; K130-D134 IonicContact NZ-OD1 3.48Å; K130-D134 IonicContact NZ-OD2 2.74Å; K130-D134 PolarHBondContact NZ-OD2 2.98Å; K130-D134 WeakPolarHBondContact O-CB 3.36Å; K130-D134 PolarHBondContact O-N 3.1Å |
| 131 | H | 97.4 | Very high | 95.5 | Very high | 75 Ų | 75 | 62.1 Ų | 62.1 | 35% | 0.347 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.5 | -42.1 | 178.5 | -178.4 | 86.6 | 0 | 0 | 0 | 112.9 | E118 E127 T128 C129 W135 | E118-H131 IonicContact OE1-CD2 3.77Å; E118-H131 IonicContact OE1-CE1 2.61Å; E118-H131 PolarHBondContact OE1-CE1 3.15Å; E118-H131 IonicContact OE1-NE2 3.73Å; E118-H131 PolarHBondContact OE1-NE2 2.97Å; E118-H131 IonicContact OE2-NE2 3.05Å; E127-H131 WeakPolarHBondContact O-CB 3.27Å; E127-H131 PolarHBondContact O-N 3.4Å; T128-H131 PolarHBondContact O-N 3.31Å; C129-H131 PolarHBondContact O-N 3.47Å; H131-W135 VanDerWaalsContact O-CB 3.29Å; H131-W135 WeakPolarHBondContact O-CB 3.44Å; H131-W135 PolarHBondContact O-N 3Å |
| 132 | I | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 177.1 | -68.4 | 168.7 | 0 | 0 | 0 | 110.8 | F94 L120 F122 T128 C129 K130 W135 V136 I148 I153 I162 | F94-I132 HydrophobicContact CB-CD1 4.33Å; F94-I132 HydrophobicContact CD1-CG1 4.1Å; F94-I132 HydrophobicContact CD2-CD1 4.17Å; F94-I132 HydrophobicContact CD2-CG1 3.98Å; F94-I132 HydrophobicContact CD2-CG2 4.39Å; F94-I132 HydrophobicContact CE1-CG1 4.07Å; F94-I132 HydrophobicContact CE2-CB 4.46Å; F94-I132 HydrophobicContact CE2-CG1 3.99Å; F94-I132 HydrophobicContact CE2-CG2 3.96Å; F94-I132 HydrophobicContact CG-CD1 4.13Å; F94-I132 HydrophobicContact CG-CG1 4.01Å; F94-I132 HydrophobicContact CZ-CB 4.49Å; F94-I132 HydrophobicContact CZ-CG1 4Å; F94-I132 HydrophobicContact CZ-CG2 4.39Å; L120-I132 HydrophobicContact CD1-CD1 4.34Å; L120-I132 HydrophobicContact CD1-CG1 3.99Å; F122-I132 HydrophobicContact CE1-CD1 4.39Å; T128-I132 HydrophobicContact CG2-CD1 4.03Å; T128-I132 WeakPolarHBondContact O-CG1 3.24Å; T128-I132 PolarHBondContact O-N 3.44Å; C129-I132 PolarHBondContact O-N 3.07Å; K130-I132 VanDerWaalsContact C-N 3.31Å; K130-I132 PolarHBondContact O-N 3.26Å; I132-W135 PolarHBondContact O-N 3.31Å; I132-V136 WeakPolarHBondContact O-CG2 3.34Å; I132-V136 PolarHBondContact O-N 2.98Å; I132-I148 HydrophobicContact CB-CD1 3.89Å; I132-I148 HydrophobicContact CD1-CD1 3.91Å; I132-I148 HydrophobicContact CG2-CD1 3.81Å; I132-I148 HydrophobicContact CG2-CG1 4.21Å; I132-I153 HydrophobicContact CD1-CD1 4.08Å; I132-I162 HydrophobicContact CG2-CD1 3.83Å; I132-I162 HydrophobicContact CG2-CG1 3.79Å |
| 133 | N | 97.1 | Very high | 95.1 | Very high | 14 Ų | 14 | 65.2 Ų | 65.2 | 8% | 0.075 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.2 | -46 | 178.3 | -76.9 | -19.7 | 0 | 0 | 0 | 111.8 | C129 K130 W135 V136 E137 L147 I148 | C129-N133 PolarHBondContact O-N 3.45Å; C129-N133 VanDerWaalsContact O-N 3.08Å; K130-N133 PolarHBondContact O-N 3.23Å; N133-W135 VanDerWaalsContact C-N 3.27Å; N133-W135 PolarHBondContact O-N 2.72Å; N133-V136 PolarHBondContact O-N 3.46Å; N133-V136 VanDerWaalsContact O-N 3.15Å; N133-E137 WeakPolarHBondContact O-CB 3.32Å; N133-E137 PolarHBondContact O-N 2.88Å; N133-L147 PolarHBondContact OD1-N 3.14Å; N133-I148 PolarHBondContact ND2-O 2.66Å; N133-I148 VanDerWaalsContact OD1-CG1 3.31Å; N133-I148 WeakPolarHBondContact OD1-CG1 3.33Å; N133-I148 PolarHBondContact OD1-N 2.98Å |
| 134 | D | 97.7 | Very high | 95 | Very high | 70 Ų | 70 | 58.1 Ų | 58.1 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.7 | -40.1 | 175.8 | -68.7 | -9.6 | 0 | 0 | 0 | 111 | K130 E137 Q138 | K130-D134 IonicContact NZ-OD1 3.48Å; K130-D134 IonicContact NZ-OD2 2.74Å; K130-D134 PolarHBondContact NZ-OD2 2.98Å; K130-D134 WeakPolarHBondContact O-CB 3.36Å; K130-D134 PolarHBondContact O-N 3.1Å; D134-E137 PolarHBondContact O-N 3.49Å; D134-Q138 WeakPolarHBondContact O-CB 3.43Å; D134-Q138 PolarHBondContact O-N 3.49Å |
| 135 | W | 97 | Very high | 94.9 | Very high | 24 Ų | 24 | 57.6 Ų | 57.6 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 176.2 | 179.4 | 86.5 | 0 | 0 | 0 | 112.1 | A90 R92 F94 H131 I132 N133 Q138 K139 I162 | A90-W135 HydrophobicContact CB-CH2 4.03Å; A90-W135 HydrophobicContact CB-CZ3 3.84Å; R92-W135 HydrophobicContact CB-CE3 4.38Å; R92-W135 HydrophobicContact CB-CH2 3.33Å; R92-W135 HydrophobicContact CB-CZ2 3.73Å; R92-W135 HydrophobicContact CB-CZ3 3.68Å; R92-W135 HydrophobicContact CG-CH2 4.37Å; R92-W135 HydrophobicContact CG-CZ2 4.34Å; R92-W135 VanDerWaalsContact CZ-CE2 3.45Å; F94-W135 HydrophobicContact CE2-CE3 4.26Å; F94-W135 HydrophobicContact CZ-CB 4.47Å; F94-W135 AromaticContact CZ-CD2 4Å; F94-W135 HydrophobicContact CZ-CD2 4Å; F94-W135 AromaticContact CZ-CE3 3.92Å; F94-W135 HydrophobicContact CZ-CE3 3.92Å; F94-W135 HydrophobicContact CZ-CG 4.22Å; H131-W135 VanDerWaalsContact O-CB 3.29Å; H131-W135 WeakPolarHBondContact O-CB 3.44Å; H131-W135 PolarHBondContact O-N 3Å; I132-W135 PolarHBondContact O-N 3.31Å; N133-W135 VanDerWaalsContact C-N 3.27Å; N133-W135 PolarHBondContact O-N 2.72Å; W135-Q138 PolarHBondContact O-N 2.92Å; W135-K139 HydrophobicContact CD2-CG 3.99Å; W135-K139 HydrophobicContact CE3-CG 4.38Å; W135-K139 HydrophobicContact CH2-CG 4Å; W135-K139 HydrophobicContact CZ2-CD 4.24Å; W135-K139 HydrophobicContact CZ2-CG 3.58Å; W135-K139 HydrophobicContact CZ3-CG 4.39Å; W135-K139 WeakPolarHBondContact O-CB 3.48Å; W135-K139 VanDerWaalsContact O-CG 3.31Å; W135-K139 WeakPolarHBondContact O-CG 3.4Å; W135-K139 PolarHBondContact O-N 2.83Å; W135-I162 HydrophobicContact CZ3-CG2 4.42Å |
| 136 | V | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 176 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | I132 N133 Q138 K139 T140 I144 L147 I162 A164 | I132-V136 WeakPolarHBondContact O-CG2 3.34Å; I132-V136 PolarHBondContact O-N 2.98Å; N133-V136 PolarHBondContact O-N 3.46Å; N133-V136 VanDerWaalsContact O-N 3.15Å; V136-Q138 VanDerWaalsContact C-N 3.34Å; V136-Q138 PolarHBondContact O-N 3.47Å; V136-K139 PolarHBondContact O-N 3.15Å; V136-T140 HydrophobicContact CG1-CG2 4.33Å; V136-T140 WeakPolarHBondContact O-CB 3.47Å; V136-T140 WeakPolarHBondContact O-CG2 3.23Å; V136-T140 PolarHBondContact O-N 3.11Å; V136-T140 PolarHBondContact O-OG1 3.17Å; V136-I144 HydrophobicContact CG1-CB 4.11Å; V136-I144 HydrophobicContact CG1-CG2 3.86Å; V136-L147 HydrophobicContact CB-CB 4.48Å; V136-L147 HydrophobicContact CG1-CB 4.13Å; V136-L147 HydrophobicContact CG1-CD1 3.82Å; V136-L147 HydrophobicContact CG2-CB 4.33Å; V136-L147 HydrophobicContact CG2-CD1 4.06Å; V136-I162 HydrophobicContact CG2-CG2 3.56Å; V136-A164 HydrophobicContact CG1-CB 3.55Å |
| 137 | E | 97.1 | Very high | 94.8 | Very high | 56 Ų | 56 | 57.1 Ų | 57.1 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.9 | -47.1 | 178.6 | -172.6 | 174.5 | -174.6 | 0 | 0 | 110.6 | N133 D134 K139 T140 K141 G142 I144 K145 | N133-E137 WeakPolarHBondContact O-CB 3.32Å; N133-E137 PolarHBondContact O-N 2.88Å; D134-E137 PolarHBondContact O-N 3.49Å; E137-K139 PolarHBondContact O-N 2.87Å; E137-T140 CarbonylContact O-C 3.59Å; E137-T140 PolarHBondContact O-N 3.45Å; E137-T140 PolarHBondContact O-OG1 3.49Å; E137-K141 PolarHBondContact O-N 3.37Å; E137-G142 PolarHBondContact O-N 3.25Å; E137-I144 VanDerWaalsContact CA-O 3.23Å; E137-I144 WeakPolarHBondContact CA-O 3.48Å; E137-K145 HydrophobicContact CG-CG 4.18Å; E137-K145 WeakPolarHBondContact OE1-CE 2.91Å; E137-K145 IonicContact OE1-NZ 3.55Å; E137-K145 PolarHBondContact OE1-NZ 2.83Å |
| 138 | Q | 96.4 | Very high | 94.6 | Very high | 138 Ų | 138 | 51.3 Ų | 51.3 | 65% | 0.645 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -59.4 | -47.6 | 175.5 | -176.5 | -172.1 | 78.3 | 0 | 0 | 111.9 | D134 W135 V136 T140 K141 | D134-Q138 WeakPolarHBondContact O-CB 3.43Å; D134-Q138 PolarHBondContact O-N 3.49Å; W135-Q138 PolarHBondContact O-N 2.92Å; V136-Q138 VanDerWaalsContact C-N 3.34Å; V136-Q138 PolarHBondContact O-N 3.47Å; Q138-T140 PolarHBondContact O-N 3.46Å; Q138-K141 PolarHBondContact O-N 2.68Å |
| 139 | K | 92.1 | Very high | 94.4 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 42% | 0.417 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.8 | -21.6 | -178.8 | -70.2 | -57.2 | 179.3 | -167.3 | 0 | 113.7 | A90 W135 V136 E137 | A90-K139 HydrophobicContact CB-CB 3.66Å; A90-K139 HydrophobicContact CB-CG 4.44Å; W135-K139 HydrophobicContact CD2-CG 3.99Å; W135-K139 HydrophobicContact CE3-CG 4.38Å; W135-K139 HydrophobicContact CH2-CG 4Å; W135-K139 HydrophobicContact CZ2-CD 4.24Å; W135-K139 HydrophobicContact CZ2-CG 3.58Å; W135-K139 HydrophobicContact CZ3-CG 4.39Å; W135-K139 WeakPolarHBondContact O-CB 3.48Å; W135-K139 VanDerWaalsContact O-CG 3.31Å; W135-K139 WeakPolarHBondContact O-CG 3.4Å; W135-K139 PolarHBondContact O-N 2.83Å; V136-K139 PolarHBondContact O-N 3.15Å; E137-K139 PolarHBondContact O-N 2.87Å |
| 140 | T | 91.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 13.6 | 177.3 | 62.5 | 0 | 0 | 0 | 0 | 112.7 | A90 V136 E137 Q138 G142 K143 I144 A164 | A90-T140 HydrophobicContact CB-CG2 4.16Å; V136-T140 HydrophobicContact CG1-CG2 4.33Å; V136-T140 WeakPolarHBondContact O-CB 3.47Å; V136-T140 WeakPolarHBondContact O-CG2 3.23Å; V136-T140 PolarHBondContact O-N 3.11Å; V136-T140 PolarHBondContact O-OG1 3.17Å; E137-T140 CarbonylContact O-C 3.59Å; E137-T140 PolarHBondContact O-N 3.45Å; E137-T140 PolarHBondContact O-OG1 3.49Å; Q138-T140 PolarHBondContact O-N 3.46Å; T140-G142 VanDerWaalsContact C-N 3.28Å; T140-G142 PolarHBondContact O-N 3.17Å; T140-K143 WeakPolarHBondContact O-CB 3.39Å; T140-K143 WeakPolarHBondContact O-CG 3.32Å; T140-K143 PolarHBondContact O-N 3.21Å; T140-I144 HydrophobicContact CG2-CB 4.02Å; T140-I144 HydrophobicContact CG2-CD1 4.01Å; T140-I144 HydrophobicContact CG2-CG1 4.06Å; T140-I144 PolarHBondContact OG1-N 3.06Å; T140-I144 PolarHBondContact OG1-O 3.17Å; T140-A164 HydrophobicContact CG2-CB 4.22Å |
| 141 | K | 91.1 | Very high | 93.5 | Very high | 131 Ų | 131 | 57.5 Ų | 57.5 | 57% | 0.57 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 43.3 | -179.6 | -56.1 | -168.9 | -171.7 | 164.9 | 0 | 113.4 | Y88 E137 Q138 K143 | Y88-K141 HydrophobicContact CD1-CG 4.42Å; Y88-K141 HydrophobicContact CE1-CD 3.71Å; Y88-K141 HydrophobicContact CE1-CG 4.09Å; Y88-K141 HydrophobicContact CE2-CB 4.43Å; Y88-K141 HydrophobicContact CE2-CD 4.18Å; Y88-K141 HydrophobicContact CE2-CG 4.38Å; Y88-K141 WeakPolarHBondContact OH-CD 3.35Å; Y88-K141 WeakPolarHBondContact OH-CE 3.24Å; Y88-K141 PolarHBondContact OH-NZ 2.59Å; E137-K141 PolarHBondContact O-N 3.37Å; Q138-K141 PolarHBondContact O-N 2.68Å; K141-K143 VanDerWaalsContact C-N 3.28Å; K141-K143 PolarHBondContact O-N 3Å |
| 142 | G | 92.8 | Very high | 93.2 | Very high | 30 Ų | 30 | 54.4 Ų | 54.4 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -0.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E137 T140 K145 | E137-G142 PolarHBondContact O-N 3.25Å; T140-G142 VanDerWaalsContact C-N 3.28Å; T140-G142 PolarHBondContact O-N 3.17Å; G142-K145 WeakPolarHBondContact O-CE 3.38Å |
| 143 | K | 91 | Very high | 93.1 | Very high | 87 Ų | 87 | 54.7 Ų | 54.7 | 38% | 0.378 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -82.2 | -30.7 | -172.1 | -59.1 | -63.6 | -175.8 | 176.7 | 0 | 113.9 | Y88 T140 K141 Y166 | Y88-K143 HydrophobicContact CD2-CG 4.42Å; Y88-K143 HydrophobicContact CE2-CG 4.46Å; T140-K143 WeakPolarHBondContact O-CB 3.39Å; T140-K143 WeakPolarHBondContact O-CG 3.32Å; T140-K143 PolarHBondContact O-N 3.21Å; K141-K143 VanDerWaalsContact C-N 3.28Å; K141-K143 PolarHBondContact O-N 3Å; K143-Y166 HydrophobicContact CB-CD1 4.44Å; K143-Y166 HydrophobicContact CB-CD2 3.4Å; K143-Y166 VanDerWaalsContact CB-CD2 3.4Å; K143-Y166 HydrophobicContact CB-CE2 3.67Å; K143-Y166 HydrophobicContact CB-CG 3.8Å; K143-Y166 HydrophobicContact CD-CD2 4.36Å; K143-Y166 HydrophobicContact CD-CE1 4.45Å; K143-Y166 HydrophobicContact CD-CE2 3.72Å; K143-Y166 HydrophobicContact CG-CD1 4.23Å; K143-Y166 HydrophobicContact CG-CD2 3.84Å; K143-Y166 HydrophobicContact CG-CE1 4.09Å; K143-Y166 HydrophobicContact CG-CE2 3.69Å; K143-Y166 HydrophobicContact CG-CG 4.08Å |
| 144 | I | 92.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -117.9 | 119.1 | 176.5 | -58.2 | -174.8 | 0 | 0 | 0 | 108.4 | V136 E137 T140 L147 A164 I165 K313 | V136-I144 HydrophobicContact CG1-CB 4.11Å; V136-I144 HydrophobicContact CG1-CG2 3.86Å; E137-I144 VanDerWaalsContact CA-O 3.23Å; E137-I144 WeakPolarHBondContact CA-O 3.48Å; T140-I144 HydrophobicContact CG2-CB 4.02Å; T140-I144 HydrophobicContact CG2-CD1 4.01Å; T140-I144 HydrophobicContact CG2-CG1 4.06Å; T140-I144 PolarHBondContact OG1-N 3.06Å; T140-I144 PolarHBondContact OG1-O 3.17Å; I144-L147 HydrophobicContact CG2-CD1 4.43Å; I144-A164 HydrophobicContact CD1-CB 3.84Å; I144-A164 HydrophobicContact CG2-CB 4.31Å; I144-I165 VanDerWaalsContact CD1-C 3.48Å; I144-I165 WeakPolarHBondContact CD1-O 3.5Å; I144-K313 HydrophobicContact CG2-CB 4.21Å; I144-K313 HydrophobicContact CG2-CD 3.58Å; I144-K313 HydrophobicContact CG2-CG 3.85Å |
| 145 | K | 94 | Very high | 92.6 | Very high | 98 Ų | 98 | 60.2 Ų | 60.2 | 43% | 0.426 | 31% | 0.309 | S | S | . | . | trans | -117.3 | 161.4 | 178.7 | -51.3 | -170 | -173.9 | -131.7 | 0 | 110 | E137 G142 L147 K313 | E137-K145 HydrophobicContact CG-CG 4.18Å; E137-K145 WeakPolarHBondContact OE1-CE 2.91Å; E137-K145 IonicContact OE1-NZ 3.55Å; E137-K145 PolarHBondContact OE1-NZ 2.83Å; G142-K145 WeakPolarHBondContact O-CE 3.38Å; K145-L147 PolarHBondContact O-N 3.33Å; K145-L147 VanDerWaalsContact O-N 3.07Å; K145-K313 PolarHBondContact O-NZ 2.82Å | ||
| 146 | D | 93.7 | Very high | 92.4 | Very high | 112 Ų | 112 | 64.7 Ų | 64.7 | 60% | 0.599 | 33% | 0.334 | S | S | * | . | trans | 48.7 | 42.6 | 169.3 | -55.3 | -52.5 | 0 | 0 | 0 | 114.2 | I148 | D146-I148 VanDerWaalsContact C-N 3.31Å; D146-I148 PolarHBondContact O-N 3.27Å | ||
| 147 | L | 92.8 | Very high | 92.3 | Very high | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | trans | -62.8 | -36.1 | -173.9 | 179 | 147.6 | 0 | 0 | 0 | 113.1 | N133 V136 I144 K145 I162 A164 F311 K313 | N133-L147 PolarHBondContact OD1-N 3.14Å; V136-L147 HydrophobicContact CB-CB 4.48Å; V136-L147 HydrophobicContact CG1-CB 4.13Å; V136-L147 HydrophobicContact CG1-CD1 3.82Å; V136-L147 HydrophobicContact CG2-CB 4.33Å; V136-L147 HydrophobicContact CG2-CD1 4.06Å; I144-L147 HydrophobicContact CG2-CD1 4.43Å; K145-L147 PolarHBondContact O-N 3.33Å; K145-L147 VanDerWaalsContact O-N 3.07Å; L147-I162 HydrophobicContact CD1-CG2 4.16Å; L147-I162 HydrophobicContact CD2-CD1 3.75Å; L147-I162 HydrophobicContact CD2-CG2 3.84Å; L147-A164 HydrophobicContact CD1-CB 3.36Å; L147-F311 HydrophobicContact CD2-CB 3.64Å; L147-F311 HydrophobicContact CD2-CG 4.48Å; L147-K313 HydrophobicContact CB-CD 4.3Å; L147-K313 HydrophobicContact CD1-CB 3.62Å; L147-K313 HydrophobicContact CG-CB 3.81Å; L147-K313 HydrophobicContact CG-CD 4.45Å | ||
| 148 | I | 91.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -108.4 | 137.6 | 172.8 | 59.9 | 169.1 | 0 | 0 | 0 | 110.6 | C129 I132 N133 D146 A152 I153 I162 F311 | C129-I148 HydrophobicContact CB-CD1 4.36Å; I132-I148 HydrophobicContact CB-CD1 3.89Å; I132-I148 HydrophobicContact CD1-CD1 3.91Å; I132-I148 HydrophobicContact CG2-CD1 3.81Å; I132-I148 HydrophobicContact CG2-CG1 4.21Å; N133-I148 PolarHBondContact ND2-O 2.66Å; N133-I148 VanDerWaalsContact OD1-CG1 3.31Å; N133-I148 WeakPolarHBondContact OD1-CG1 3.33Å; N133-I148 PolarHBondContact OD1-N 2.98Å; D146-I148 VanDerWaalsContact C-N 3.31Å; D146-I148 PolarHBondContact O-N 3.27Å; I148-A152 HydrophobicContact CB-CB 4.15Å; I148-I153 HydrophobicContact CD1-CD1 3.91Å; I148-I153 HydrophobicContact CD1-CG1 3.84Å; I148-I162 HydrophobicContact CG2-CD1 3.62Å; I148-F311 HydrophobicContact CB-CD2 4.41Å; I148-F311 HydrophobicContact CB-CE2 4.32Å; I148-F311 HydrophobicContact CB-CZ 4.46Å; I148-F311 HydrophobicContact CG2-CB 3.99Å; I148-F311 HydrophobicContact CG2-CD1 3.97Å; I148-F311 HydrophobicContact CG2-CD2 3.27Å; I148-F311 HydrophobicContact CG2-CE1 4.27Å; I148-F311 HydrophobicContact CG2-CE2 3.59Å; I148-F311 HydrophobicContact CG2-CG 3.48Å; I148-F311 VanDerWaalsContact CG2-CG 3.48Å; I148-F311 HydrophobicContact CG2-CZ 4.11Å |
| 149 | P | 90.9 | Very high | 92.2 | Very high | 39 Ų | 39 | 58.7 Ų | 58.7 | 25% | 0.253 | 30% | 0.304 | S | S | . | . | trans | -68.7 | 152.1 | 178.6 | 27 | -32.9 | 0 | 0 | 0 | 110.8 | C129 D151 A152 | C129-P149 PolarHBondContact SG-O 2.82Å; P149-D151 PolarHBondContact O-N 2.85Å; P149-A152 HydrophobicContact CG-CB 3.93Å; P149-A152 WeakPolarHBondContact O-CB 3.13Å; P149-A152 PolarHBondContact O-N 3.35Å | ||
| 150 | P | 86.5 | Confident | 92.4 | Very high | 115 Ų | 115 | 54.1 Ų | 54.1 | 75% | 0.747 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -25.7 | -174.1 | -28.9 | 35.6 | 0 | 0 | 0 | 115.8 | ||
| 151 | D | 88.4 | Confident | 92.7 | Very high | 116 Ų | 116 | 54.3 Ų | 54.3 | 62% | 0.62 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 4.3 | -178.4 | 70.2 | -36.2 | 0 | 0 | 0 | 114.1 | P149 I153 | P149-D151 PolarHBondContact O-N 2.85Å; D151-I153 PolarHBondContact O-N 2.75Å |
| 152 | A | 90.5 | Very high | 92.9 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -63.8 | -38 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | I148 P149 F311 | I148-A152 HydrophobicContact CB-CB 4.15Å; P149-A152 HydrophobicContact CG-CB 3.93Å; P149-A152 WeakPolarHBondContact O-CB 3.13Å; P149-A152 PolarHBondContact O-N 3.35Å; A152-F311 HydrophobicContact CB-CE1 4.33Å; A152-F311 HydrophobicContact CB-CE2 4.18Å; A152-F311 HydrophobicContact CB-CZ 3.56Å |
| 153 | I | 93.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | trans | -89.1 | 130.4 | -176.8 | -56.1 | -57 | 0 | 0 | 0 | 109.5 | F122 S125 T128 C129 I132 I148 D151 V160 | F122-I153 HydrophobicContact CB-CG2 3.94Å; F122-I153 HydrophobicContact CD1-CD1 4.41Å; F122-I153 HydrophobicContact CD1-CG2 3.57Å; F122-I153 HydrophobicContact CE1-CD1 4.33Å; F122-I153 HydrophobicContact CE1-CG2 4.47Å; F122-I153 HydrophobicContact CG-CG2 4.15Å; S125-I153 WeakPolarHBondContact CB-O 3.31Å; T128-I153 HydrophobicContact CG2-CG2 4.34Å; C129-I153 HydrophobicContact CB-CG1 4.1Å; I132-I153 HydrophobicContact CD1-CD1 4.08Å; I148-I153 HydrophobicContact CD1-CD1 3.91Å; I148-I153 HydrophobicContact CD1-CG1 3.84Å; D151-I153 PolarHBondContact O-N 2.75Å; I153-V160 HydrophobicContact CD1-CG2 3.88Å | ||
| 154 | K | 94 | Very high | 93.3 | Very high | 124 Ų | 124 | 42.6 Ų | 42.6 | 54% | 0.539 | 23% | 0.226 | S | C | . | . | trans | -127.3 | 156.9 | -179.8 | -60.3 | 179.9 | -177.6 | 178.9 | 0 | 109.6 | L156 T157 | K154-L156 PolarHBondContact O-N 2.65Å; K154-T157 PolarHBondContact N-OG1 2.94Å; K154-T157 VanDerWaalsContact N-OG1 3.09Å; K154-T157 WeakPolarHBondContact O-CB 3.47Å; K154-T157 PolarHBondContact O-N 2.72Å; K154-T157 PolarHBondContact O-OG1 2.81Å | ||
| 155 | P | 92 | Very high | 93.3 | Very high | 75 Ų | 75 | 42.5 Ų | 42.5 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.9 | 177.8 | -27.9 | 36.1 | 0 | 0 | 0 | 114.9 | R158 | P155-R158 PolarHBondContact O-NH1 3.38Š|
| 156 | L | 92.2 | Very high | 93.3 | Very high | 118 Ų | 118 | 38.1 Ų | 38.1 | 62% | 0.618 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 1.1 | 176.1 | -63.4 | -179.8 | 0 | 0 | 0 | 113.8 | K154 R158 Y306 | K154-L156 PolarHBondContact O-N 2.65Å; L156-R158 PolarHBondContact O-NH1 3.45Å; L156-Y306 PolarHBondContact O-OH 2.91Å |
| 157 | T | 94.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | trans | -60 | 141.6 | 172.1 | -64 | 0 | 0 | 0 | 0 | 109.5 | F122 K154 V160 S308 | F122-T157 HydrophobicContact CB-CG2 4.43Å; F122-T157 HydrophobicContact CD1-CG2 4.01Å; F122-T157 HydrophobicContact CD2-CG2 3.57Å; F122-T157 WeakPolarHBondContact CD2-O 3.44Å; F122-T157 HydrophobicContact CE1-CG2 4.11Å; F122-T157 HydrophobicContact CE2-CG2 3.64Å; F122-T157 HydrophobicContact CG-CG2 3.76Å; F122-T157 HydrophobicContact CZ-CG2 3.93Å; K154-T157 PolarHBondContact N-OG1 2.94Å; K154-T157 VanDerWaalsContact N-OG1 3.09Å; K154-T157 WeakPolarHBondContact O-CB 3.47Å; K154-T157 PolarHBondContact O-N 2.72Å; K154-T157 PolarHBondContact O-OG1 2.81Å; T157-V160 HydrophobicContact CG2-CG2 3.38Å; T157-S308 WeakPolarHBondContact CA-OG 3.23Å | ||
| 158 | R | 94.5 | Very high | 92.8 | Very high | 63 Ų | 63 | 34.2 Ų | 34.2 | 24% | 0.238 | 18% | 0.184 | C | C | . | . | trans | -126.9 | -41 | -176.1 | -71 | -62.2 | 176.4 | -91.6 | 2.4 | 113.3 | A95 Q96 P155 L156 L305 Y306 S308 | A95-R158 CarbonylContact C-O 3.34Å; A95-R158 VanDerWaalsContact CA-O 3.29Å; A95-R158 WeakPolarHBondContact CA-O 3.25Å; Q96-R158 PolarHBondContact N-O 2.81Å; P155-R158 PolarHBondContact O-NH1 3.38Å; L156-R158 PolarHBondContact O-NH1 3.45Å; R158-L305 HydrophobicContact CB-CD1 4.14Å; R158-Y306 HydrophobicContact CB-CD1 4.33Å; R158-Y306 HydrophobicContact CB-CE1 4.12Å; R158-Y306 HydrophobicContact CG-CD1 4.17Å; R158-Y306 HydrophobicContact CG-CE1 3.55Å; R158-S308 PolarHBondContact N-OG 3.4Å | ||
| 159 | L | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 131.4 | 177 | 176.2 | 64.1 | 0 | 0 | 0 | 108.9 | L93 F94 A95 I117 L161 I299 L305 Y306 V307 S308 E309 | L93-L159 HydrophobicContact CB-CD1 4.08Å; F94-L159 CarbonylContact O-C 3.5Å; F94-L159 WeakPolarHBondContact O-CA 3.07Å; A95-L159 HydrophobicContact CB-CD1 4.04Å; I117-L159 HydrophobicContact CD1-CD1 4.3Å; L159-L161 HydrophobicContact CD2-CD1 4.15Å; L159-L161 HydrophobicContact CG-CD1 3.9Å; L159-I299 HydrophobicContact CD2-CD1 4.35Å; L159-L305 HydrophobicContact CB-CD1 4.28Å; L159-L305 HydrophobicContact CB-CD2 4.28Å; L159-L305 HydrophobicContact CB-CG 4.11Å; L159-L305 HydrophobicContact CD2-CD2 3.86Å; L159-L305 HydrophobicContact CD2-CG 4.33Å; L159-L305 HydrophobicContact CG-CD2 4.49Å; L159-Y306 WeakPolarHBondContact CB-O 3.3Å; L159-Y306 PolarHBondContact N-O 2.9Å; L159-V307 HydrophobicContact CD2-CG2 3.7Å; L159-V307 HydrophobicContact CG-CG2 4.19Å; L159-S308 PolarHBondContact O-N 3.19Å; L159-E309 PolarHBondContact O-N 2.82Å |
| 160 | V | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.6 | 176.4 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | F94 F122 I153 T157 I162 E309 F311 | F94-V160 HydrophobicContact CB-CB 4.39Å; F94-V160 PolarHBondContact N-O 2.95Å; F94-V160 PolarHBondContact O-N 3.22Å; F122-V160 HydrophobicContact CE1-CG2 4.1Å; F122-V160 HydrophobicContact CZ-CG2 3.85Å; I153-V160 HydrophobicContact CD1-CG2 3.88Å; T157-V160 HydrophobicContact CG2-CG2 3.38Å; V160-I162 HydrophobicContact CG1-CD1 3.63Å; V160-I162 HydrophobicContact CG1-CG1 4.08Å; V160-E309 WeakPolarHBondContact CA-O 3.47Å; V160-F311 HydrophobicContact CG1-CD2 4.02Å; V160-F311 HydrophobicContact CG1-CE2 4.12Å |
| 161 | L | 96.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.1 | 173.8 | -80.7 | 56 | 0 | 0 | 0 | 108.4 | L36 T39 L93 L159 M288 V307 E309 A310 F311 | L36-L161 HydrophobicContact CD2-CD2 3.85Å; T39-L161 HydrophobicContact CG2-CD1 4.39Å; T39-L161 HydrophobicContact CG2-CD2 4.16Å; T39-L161 WeakPolarHBondContact OG1-CD2 3.49Å; T39-L161 VanDerWaalsContact OG1-CG 3.29Å; T39-L161 WeakPolarHBondContact OG1-CG 3.27Å; L93-L161 HydrophobicContact CD2-CB 4.37Å; L93-L161 HydrophobicContact CD2-CD1 3.69Å; L93-L161 HydrophobicContact CD2-CG 3.56Å; L159-L161 HydrophobicContact CD2-CD1 4.15Å; L159-L161 HydrophobicContact CG-CD1 3.9Å; L161-M288 HydrophobicContact CD2-CE 4.03Å; L161-V307 HydrophobicContact CD1-CB 4.28Å; L161-V307 HydrophobicContact CD1-CG1 3.74Å; L161-V307 HydrophobicContact CD1-CG2 3.51Å; L161-V307 HydrophobicContact CD2-CG2 4.49Å; L161-E309 PolarHBondContact N-O 3.35Å; L161-A310 HydrophobicContact CB-CB 3.91Å; L161-A310 HydrophobicContact CD2-CB 4.28Å; L161-A310 WeakPolarHBondContact O-CA 3.24Å; L161-F311 PolarHBondContact O-N 3.44Å |
| 162 | I | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.7 | 177.4 | -59.9 | -60.2 | 0 | 0 | 0 | 109.4 | R92 F94 I132 W135 V136 L147 I148 V160 F311 | R92-I162 PolarHBondContact N-O 2.81Å; R92-I162 VanDerWaalsContact N-O 3.15Å; R92-I162 PolarHBondContact O-N 3.44Å; F94-I162 HydrophobicContact CD2-CB 4.43Å; F94-I162 HydrophobicContact CD2-CG1 3.68Å; F94-I162 HydrophobicContact CE2-CB 4.13Å; F94-I162 HydrophobicContact CE2-CG1 3.66Å; I132-I162 HydrophobicContact CG2-CD1 3.83Å; I132-I162 HydrophobicContact CG2-CG1 3.79Å; W135-I162 HydrophobicContact CZ3-CG2 4.42Å; V136-I162 HydrophobicContact CG2-CG2 3.56Å; L147-I162 HydrophobicContact CD1-CG2 4.16Å; L147-I162 HydrophobicContact CD2-CD1 3.75Å; L147-I162 HydrophobicContact CD2-CG2 3.84Å; I148-I162 HydrophobicContact CG2-CD1 3.62Å; V160-I162 HydrophobicContact CG1-CD1 3.63Å; V160-I162 HydrophobicContact CG1-CG1 4.08Å; I162-F311 HydrophobicContact CD1-CB 4.16Å; I162-F311 HydrophobicContact CD1-CD2 3.91Å; I162-F311 HydrophobicContact CD1-CG 4.47Å |
| 163 | N | 95.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 117.8 | 169.9 | -179.6 | -114.3 | 0 | 0 | 0 | 110 | S31 I32 A35 A90 N91 F311 H312 K313 | S31-N163 VanDerWaalsContact C-ND2 3.32Å; S31-N163 PolarHBondContact O-ND2 3.3Å; S31-N163 PolarHBondContact OG-ND2 3.03Å; S31-N163 PolarHBondContact OG-OD1 3.28Å; I32-N163 PolarHBondContact N-OD1 3.13Å; A35-N163 HydrophobicContact CB-CB 3.9Å; A90-N163 CarbonylContact O-C 3.45Å; A90-N163 WeakPolarHBondContact O-CA 3.31Å; N91-N163 PolarHBondContact OD1-ND2 3.2Å; N163-F311 PolarHBondContact N-O 2.97Å; N163-H312 CarbonylContact O-C 3.49Å; N163-H312 VanDerWaalsContact O-CA 3.24Å; N163-H312 WeakPolarHBondContact O-CA 3.38Å; N163-H312 PolarHBondContact OD1-CE1 2.66Å; N163-H312 VanDerWaalsContact OD1-CE1 3.27Å; N163-H312 PolarHBondContact OD1-ND1 2.77Å; N163-K313 PolarHBondContact O-N 3.36Å |
| 164 | A | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 142.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | A90 V136 T140 I144 L147 K313 | A90-A164 HydrophobicContact CB-CB 3.91Å; A90-A164 PolarHBondContact N-O 2.71Å; A90-A164 PolarHBondContact O-N 2.79Å; V136-A164 HydrophobicContact CG1-CB 3.55Å; T140-A164 HydrophobicContact CG2-CB 4.22Å; I144-A164 HydrophobicContact CD1-CB 3.84Å; I144-A164 HydrophobicContact CG2-CB 4.31Å; L147-A164 HydrophobicContact CD1-CB 3.36Å; A164-K313 CarbonylContact C-O 3.48Å; A164-K313 VanDerWaalsContact CA-O 3.29Å; A164-K313 WeakPolarHBondContact CA-O 3.46Å |
| 165 | I | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 124.2 | 175.6 | -175.5 | 174.2 | 0 | 0 | 0 | 112 | L87 Y88 I89 I144 K313 A314 F315 L367 F368 | L87-I165 HydrophobicContact CD1-CD1 3.8Å; L87-I165 HydrophobicContact CD1-CG1 3.83Å; Y88-I165 VanDerWaalsContact O-CA 3.29Å; Y88-I165 WeakPolarHBondContact O-CA 2.97Å; I89-I165 HydrophobicContact CD1-CD1 4.28Å; I89-I165 HydrophobicContact CG1-CD1 4.03Å; I89-I165 HydrophobicContact CG1-CG1 4.04Å; I144-I165 VanDerWaalsContact CD1-C 3.48Å; I144-I165 WeakPolarHBondContact CD1-O 3.5Å; I165-K313 PolarHBondContact N-O 3.41Å; I165-A314 HydrophobicContact CG2-CB 3.8Å; I165-A314 CarbonylContact O-C 3.54Å; I165-A314 WeakPolarHBondContact O-CA 3.32Å; I165-F315 PolarHBondContact O-N 2.94Å; I165-L367 HydrophobicContact CD1-CD1 4.09Å; I165-F368 HydrophobicContact CD1-CE1 4.03Å; I165-F368 HydrophobicContact CD1-CE2 4.17Å; I165-F368 HydrophobicContact CD1-CZ 3.54Å; I165-F368 HydrophobicContact CG1-CE1 4.16Å; I165-F368 HydrophobicContact CG1-CZ 3.68Å; I165-F368 HydrophobicContact CG2-CE1 3.86Å; I165-F368 HydrophobicContact CG2-CZ 4.28Å |
| 166 | Y | 92.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 2% | 0.02 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.2 | 173.2 | 170.5 | -88.2 | 0 | 0 | 0 | 108.8 | E86 L87 Y88 K143 K168 F315 | E86-Y166 HydrophobicContact CB-CE1 3.97Å; L87-Y166 CarbonylContact C-O 3.51Å; L87-Y166 VanDerWaalsContact CA-O 3.31Å; L87-Y166 WeakPolarHBondContact CA-O 3.3Å; Y88-Y166 AromaticContact CD2-CD1 3.47Å; Y88-Y166 HydrophobicContact CD2-CD1 3.47Å; Y88-Y166 VanDerWaalsContact CD2-CD1 3.47Å; Y88-Y166 HydrophobicContact CD2-CE1 4.08Å; Y88-Y166 HydrophobicContact CD2-CG 4.15Å; Y88-Y166 AromaticContact CE2-CD1 3.87Å; Y88-Y166 HydrophobicContact CE2-CD1 3.87Å; Y88-Y166 AromaticContact CE2-CE1 4Å; Y88-Y166 HydrophobicContact CE2-CE1 4Å; Y88-Y166 PolarHBondContact N-O 3.4Å; Y88-Y166 PolarHBondContact O-N 3.4Å; K143-Y166 HydrophobicContact CB-CD1 4.44Å; K143-Y166 HydrophobicContact CB-CD2 3.4Å; K143-Y166 VanDerWaalsContact CB-CD2 3.4Å; K143-Y166 HydrophobicContact CB-CE2 3.67Å; K143-Y166 HydrophobicContact CB-CG 3.8Å; K143-Y166 HydrophobicContact CD-CD2 4.36Å; K143-Y166 HydrophobicContact CD-CE1 4.45Å; K143-Y166 HydrophobicContact CD-CE2 3.72Å; K143-Y166 HydrophobicContact CG-CD1 4.23Å; K143-Y166 HydrophobicContact CG-CD2 3.84Å; K143-Y166 HydrophobicContact CG-CE1 4.09Å; K143-Y166 HydrophobicContact CG-CE2 3.69Å; K143-Y166 HydrophobicContact CG-CG 4.08Å; Y166-K168 HydrophobicContact CE1-CB 3.82Å; Y166-K168 WeakPolarHBondContact OH-CD 3.43Å; Y166-F315 HydrophobicContact CD2-CB 3.92Å; Y166-F315 AromaticContact CD2-CD1 3.27Å; Y166-F315 HydrophobicContact CD2-CD1 3.27Å; Y166-F315 AromaticContact CD2-CE1 3.87Å; Y166-F315 HydrophobicContact CD2-CE1 3.87Å; Y166-F315 AromaticContact CD2-CG 3.68Å; Y166-F315 HydrophobicContact CD2-CG 3.68Å; Y166-F315 AromaticContact CE2-CD1 3.34Å; Y166-F315 HydrophobicContact CE2-CD1 3.34Å; Y166-F315 AromaticContact CE2-CE1 3.4Å; Y166-F315 HydrophobicContact CE2-CE1 3.4Å; Y166-F315 VanDerWaalsContact CE2-CE1 3.4Å; Y166-F315 HydrophobicContact CE2-CG 4.08Å; Y166-F315 HydrophobicContact CE2-CZ 4.12Å; Y166-F315 HydrophobicContact CG-CD1 4.36Å |
| 167 | F | 90 | Very high | 93.6 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.009 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 136.2 | 173 | 177.3 | -97.8 | 0 | 0 | 0 | 111.8 | Y85 E86 L87 A169 Y219 L224 F315 I358 L367 F368 | Y85-F167 HydrophobicContact CD2-CD2 4.27Å; Y85-F167 AromaticContact CD2-CE2 3.9Å; Y85-F167 HydrophobicContact CD2-CE2 3.9Å; Y85-F167 HydrophobicContact CG-CE2 4.37Å; E86-F167 CarbonylContact O-C 3.49Å; E86-F167 WeakPolarHBondContact O-CA 3.41Å; L87-F167 HydrophobicContact CB-CD2 4.39Å; L87-F167 HydrophobicContact CD1-CB 4.33Å; L87-F167 HydrophobicContact CD1-CD2 4.16Å; F167-A169 HydrophobicContact CE1-CB 3.73Å; F167-A169 HydrophobicContact CE2-CB 3.96Å; F167-A169 HydrophobicContact CZ-CB 3.3Å; F167-Y219 HydrophobicContact CE1-CE1 4.35Å; F167-Y219 HydrophobicContact CE1-CE2 4.12Å; F167-Y219 AromaticContact CE1-CZ 3.89Å; F167-Y219 HydrophobicContact CZ-CD2 4.48Å; F167-Y219 HydrophobicContact CZ-CE2 4.24Å; F167-L224 HydrophobicContact CE2-CD1 4.22Å; F167-L224 HydrophobicContact CZ-CD1 4.37Å; F167-F315 PolarHBondContact N-O 2.88Å; F167-F315 VanDerWaalsContact N-O 3.14Å; F167-I358 HydrophobicContact CD1-CD1 3.53Å; F167-I358 HydrophobicContact CE1-CD1 3.36Å; F167-I358 HydrophobicContact CZ-CD1 4.22Å; F167-L367 HydrophobicContact CD2-CD2 4.2Å; F167-L367 HydrophobicContact CE2-CD2 4.31Å; F167-F368 HydrophobicContact CB-CD2 4.3Å; F167-F368 HydrophobicContact CB-CE2 3.21Å; F167-F368 HydrophobicContact CB-CZ 3.35Å; F167-F368 HydrophobicContact CD1-CD2 4.5Å; F167-F368 HydrophobicContact CD1-CE2 4.1Å; F167-F368 HydrophobicContact CD2-CE2 4.17Å; F167-F368 HydrophobicContact CG-CD2 4.38Å; F167-F368 AromaticContact CG-CE2 3.59Å; F167-F368 HydrophobicContact CG-CE2 3.59Å; F167-F368 HydrophobicContact CG-CZ 4.23Å |
| 168 | K | 87.6 | Confident | 93.6 | Very high | 32 Ų | 32 | 33.7 Ų | 33.7 | 14% | 0.139 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 130.8 | 172.3 | -168.6 | -177.3 | -165.1 | -162.6 | 0 | 108.2 | Y85 E86 Y166 G322 S323 | Y85-K168 CarbonylContact C-O 3.58Å; Y85-K168 WeakPolarHBondContact CA-O 3.36Å; Y85-K168 WeakPolarHBondContact CB-O 3.43Å; E86-K168 HydrophobicContact CB-CB 4.36Å; E86-K168 PolarHBondContact N-O 3.38Å; E86-K168 PolarHBondContact O-N 2.78Å; Y166-K168 HydrophobicContact CE1-CB 3.82Å; Y166-K168 WeakPolarHBondContact OH-CD 3.43Å; K168-G322 WeakPolarHBondContact CG-O 3.45Å; K168-S323 VanDerWaalsContact CD-OG 3.3Å; K168-S323 WeakPolarHBondContact CD-OG 3.29Å; K168-S323 WeakPolarHBondContact CE-OG 3.47Å; K168-S323 PolarHBondContact NZ-OG 3.33Å |
| 169 | A | 87.9 | Confident | 93.7 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 144 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y85 F167 Y219 G322 | Y85-A169 VanDerWaalsContact CB-CB 3.5Å; F167-A169 HydrophobicContact CE1-CB 3.73Å; F167-A169 HydrophobicContact CE2-CB 3.96Å; F167-A169 HydrophobicContact CZ-CB 3.3Å; A169-Y219 HydrophobicContact CB-CD1 3.4Å; A169-Y219 VanDerWaalsContact CB-CD1 3.4Å; A169-Y219 HydrophobicContact CB-CE1 3.74Å; A169-Y219 HydrophobicContact CB-CG 3.9Å; A169-Y219 WeakPolarHBondContact O-CD1 3.47Å; A169-Y219 VanDerWaalsContact O-CE1 3.32Å; A169-Y219 WeakPolarHBondContact O-CE1 2.95Å; A169-G322 CarbonylContact O-C 3.58Å; A169-G322 VanDerWaalsContact O-C 3.31Å; A169-G322 WeakPolarHBondContact O-CA 3.44Å |
| 170 | D | 90 | Very high | 93.8 | Very high | 42 Ų | 42 | 35.3 Ų | 35.3 | 23% | 0.225 | 18% | 0.18 | C | C | . | . | trans | -76.5 | 138.3 | 177.6 | -71.4 | -20.5 | 0 | 0 | 0 | 111.7 | G84 Y219 M220 K321 S323 | G84-D170 PolarHBondContact O-N 2.95Å; D170-Y219 CarbonylContact O-C 3.31Å; D170-Y219 VanDerWaalsContact O-CA 3.32Å; D170-Y219 WeakPolarHBondContact O-CA 3.12Å; D170-Y219 WeakPolarHBondContact O-CD1 3.46Å; D170-M220 HydrophobicContact CB-CB 4.39Å; D170-M220 HydrophobicContact CB-CG 3.79Å; D170-M220 PolarHBondContact O-N 2.85Å; D170-K321 WeakPolarHBondContact CA-O 3.01Å; D170-S323 WeakPolarHBondContact OD1-CA 3.31Å; D170-S323 WeakPolarHBondContact OD1-CB 3.08Å; D170-S323 PolarHBondContact OD1-N 2.88Å | ||
| 171 | W | 92.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -63.8 | 140.5 | 169.6 | -61.3 | 122.4 | 0 | 0 | 0 | 110.2 | T173 I217 Y219 M226 I318 N319 K321 | W171-T173 WeakPolarHBondContact CB-O 2.85Å; W171-T173 PolarHBondContact O-N 3.5Å; W171-I217 HydrophobicContact CD2-CG2 4.08Å; W171-I217 HydrophobicContact CE3-CB 4.25Å; W171-I217 HydrophobicContact CE3-CG2 3.48Å; W171-I217 VanDerWaalsContact CE3-CG2 3.48Å; W171-I217 HydrophobicContact CZ3-CB 3.98Å; W171-I217 HydrophobicContact CZ3-CG2 3.74Å; W171-Y219 HydrophobicContact CD2-CD1 4.33Å; W171-Y219 HydrophobicContact CD2-CE1 4.08Å; W171-Y219 AromaticContact CE3-CD1 3.64Å; W171-Y219 HydrophobicContact CE3-CD1 3.64Å; W171-Y219 AromaticContact CE3-CE1 3.52Å; W171-Y219 HydrophobicContact CE3-CE1 3.52Å; W171-Y219 HydrophobicContact CE3-CG 4.23Å; W171-Y219 AromaticContact CH2-CE1 3.71Å; W171-Y219 HydrophobicContact CH2-CE1 3.71Å; W171-Y219 HydrophobicContact CH2-CE2 4.33Å; W171-Y219 AromaticContact CH2-CZ 3.55Å; W171-Y219 WeakPolarHBondContact CH2-OH 3.45Å; W171-Y219 HydrophobicContact CZ2-CE1 4.23Å; W171-Y219 AromaticContact CZ3-CD1 3.81Å; W171-Y219 HydrophobicContact CZ3-CD1 3.81Å; W171-Y219 HydrophobicContact CZ3-CD2 4.22Å; W171-Y219 AromaticContact CZ3-CE1 3.32Å; W171-Y219 HydrophobicContact CZ3-CE1 3.32Å; W171-Y219 AromaticContact CZ3-CE2 3.81Å; W171-Y219 HydrophobicContact CZ3-CE2 3.81Å; W171-Y219 HydrophobicContact CZ3-CG 4.24Å; W171-Y219 AromaticContact CZ3-CZ 3.32Å; W171-M226 HydrophobicContact CH2-CB 3.75Å; W171-M226 HydrophobicContact CH2-CG 4.26Å; W171-M226 HydrophobicContact CH2-SD 3.59Å; W171-M226 VanDerWaalsContact CH2-SD 3.59Å; W171-M226 HydrophobicContact CZ2-SD 4.37Å; W171-M226 HydrophobicContact CZ3-CB 3.79Å; W171-I318 HydrophobicContact CH2-CD1 4.28Å; W171-I318 HydrophobicContact CZ2-CD1 4.08Å; W171-I318 HydrophobicContact CZ2-CG2 4.15Å; W171-N319 PolarHBondContact NE1-O 2.89Å; W171-K321 PolarHBondContact N-O 3.28Å |
| 172 | K | 92.4 | Very high | 93.9 | Very high | 132 Ų | 132 | 47 Ų | 47 | 57% | 0.574 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -57.7 | -32.4 | 169.7 | -173.9 | 174 | -179.8 | 175.2 | 0 | 111.5 | P218 | K172-P218 HydrophobicContact CB-CB 4.26Å; K172-P218 HydrophobicContact CB-CG 4.12Å; K172-P218 WeakPolarHBondContact CB-O 3.19Å; K172-P218 HydrophobicContact CD-CB 4.32Å; K172-P218 HydrophobicContact CD-CG 4.18Å; K172-P218 PolarHBondContact N-O 2.93Å |
| 173 | T | 93.3 | Very high | 93.9 | Very high | 42 Ų | 42 | 49.4 Ų | 49.4 | 26% | 0.258 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -131.1 | 103.7 | 172.3 | -60.9 | 0 | 0 | 0 | 0 | 109 | W171 M200 K202 | W171-T173 WeakPolarHBondContact CB-O 2.85Å; W171-T173 PolarHBondContact O-N 3.5Å; T173-M200 HydrophobicContact CG2-SD 4.25Å; T173-M200 WeakPolarHBondContact O-CE 3.23Å; T173-K202 HydrophobicContact CG2-CD 4.44Å; T173-K202 HydrophobicContact CG2-CG 4.25Å |
| 174 | P | 94 | Very high | 94 | Very high | 64 Ų | 64 | 51.2 Ų | 51.2 | 42% | 0.416 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -62 | 148 | 176.6 | -28.1 | 37.6 | 0 | 0 | 0 | 113.7 | E320 | P174-E320 CarbonylContact C-O 3.39Å; P174-E320 WeakPolarHBondContact CA-O 3.39Å |
| 175 | F | 95.6 | Very high | 94.1 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 4% | 0.039 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 154.3 | 162.3 | -61.1 | -100.2 | 0 | 0 | 0 | 110.3 | M198 M200 I217 V263 I265 E320 | F175-M198 HydrophobicContact CB-CB 4.17Å; F175-M198 HydrophobicContact CD1-CB 3.55Å; F175-M198 HydrophobicContact CD2-CB 4.39Å; F175-M198 HydrophobicContact CD2-CE 4.28Å; F175-M198 HydrophobicContact CD2-SD 4.02Å; F175-M198 HydrophobicContact CE1-CB 3.98Å; F175-M198 HydrophobicContact CE2-CE 4.14Å; F175-M198 HydrophobicContact CE2-SD 4.48Å; F175-M198 HydrophobicContact CG-CB 3.79Å; F175-M198 HydrophobicContact CG-SD 4.2Å; F175-M198 HydrophobicContact CZ-CE 4.49Å; F175-M200 HydrophobicContact CB-CE 3.94Å; F175-M200 HydrophobicContact CD1-CB 4.1Å; F175-M200 HydrophobicContact CD1-CE 3.27Å; F175-M200 HydrophobicContact CD1-CG 3.96Å; F175-M200 HydrophobicContact CD1-SD 4.48Å; F175-M200 HydrophobicContact CD2-CE 3.42Å; F175-M200 VanDerWaalsContact CD2-CE 3.42Å; F175-M200 HydrophobicContact CE1-CB 4.36Å; F175-M200 HydrophobicContact CE1-CE 3.47Å; F175-M200 VanDerWaalsContact CE1-CE 3.47Å; F175-M200 HydrophobicContact CE1-CG 3.78Å; F175-M200 HydrophobicContact CE1-SD 4.42Å; F175-M200 HydrophobicContact CE2-CE 3.61Å; F175-M200 HydrophobicContact CG-CE 3.24Å; F175-M200 HydrophobicContact CZ-CE 3.63Å; F175-M200 HydrophobicContact CZ-CG 4.5Å; F175-I217 HydrophobicContact CE2-CD1 4.33Å; F175-I217 HydrophobicContact CZ-CD1 3.92Å; F175-V263 HydrophobicContact CE1-CG1 4.23Å; F175-V263 HydrophobicContact CZ-CG1 4.27Å; F175-I265 HydrophobicContact CZ-CD1 4.42Å; F175-E320 HydrophobicContact CB-CB 3.82Å; F175-E320 HydrophobicContact CB-CG 3.94Å; F175-E320 PolarHBondContact N-O 2.82Å |
| 176 | K | 95.1 | Very high | 94.3 | Very high | 102 Ų | 102 | 54.8 Ų | 54.8 | 44% | 0.443 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -90.7 | 118.9 | 175.6 | -81.1 | 178 | 166.1 | -147.8 | 0 | 109.1 | E178 L179 T180 | K176-E178 HydrophobicContact CB-CG 4.34Å; K176-E178 WeakPolarHBondContact CB-OE1 3.19Å; K176-E178 WeakPolarHBondContact CB-OE2 3.32Å; K176-E178 VanDerWaalsContact CD-OE1 3.26Å; K176-E178 WeakPolarHBondContact CD-OE1 3.21Å; K176-E178 WeakPolarHBondContact CG-OE1 3.17Å; K176-E178 IonicContact NZ-OE1 3.78Å; K176-E178 PolarHBondContact O-N 2.89Å; K176-L179 HydrophobicContact CB-CB 4.26Å; K176-L179 HydrophobicContact CB-CD1 3.93Å; K176-L179 HydrophobicContact CB-CG 3.83Å; K176-L179 HydrophobicContact CD-CD1 4.06Å; K176-L179 HydrophobicContact CD-CG 4.48Å; K176-L179 WeakPolarHBondContact O-CA 3.28Å; K176-L179 WeakPolarHBondContact O-CB 3.36Å; K176-L179 PolarHBondContact O-N 3.37Å; K176-T180 PolarHBondContact O-N 3.41Å |
| 177 | T | 94.8 | Very high | 94.4 | Very high | 84 Ų | 84 | 54.7 Ų | 54.7 | 52% | 0.515 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -58.3 | -33.8 | -179.5 | 46.2 | 0 | 0 | 0 | 0 | 112.2 | L179 T180 E320 | T177-L179 PolarHBondContact O-N 3.39Å; T177-T180 WeakPolarHBondContact O-CB 3.49Å; T177-T180 PolarHBondContact O-N 2.92Å; T177-T180 VanDerWaalsContact O-N 3.09Å; T177-E320 HydrophobicContact CG2-CB 3.97Å; T177-E320 HydrophobicContact CG2-CG 3.89Å |
| 178 | E | 95.7 | Very high | 94.6 | Very high | 122 Ų | 122 | 58.4 Ų | 58.4 | 57% | 0.57 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -66.8 | -15.5 | 176.2 | 68.9 | -86.1 | -162 | 0 | 0 | 113.7 | K176 | K176-E178 HydrophobicContact CB-CG 4.34Å; K176-E178 WeakPolarHBondContact CB-OE1 3.19Å; K176-E178 WeakPolarHBondContact CB-OE2 3.32Å; K176-E178 VanDerWaalsContact CD-OE1 3.26Å; K176-E178 WeakPolarHBondContact CD-OE1 3.21Å; K176-E178 WeakPolarHBondContact CG-OE1 3.17Å; K176-E178 IonicContact NZ-OE1 3.78Å; K176-E178 PolarHBondContact O-N 2.89Å |
| 179 | L | 96.6 | Very high | 94.9 | Very high | 71 Ų | 71 | 65 Ų | 65 | 37% | 0.372 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -96.6 | -12.1 | 174.3 | -58 | -175.7 | 0 | 0 | 0 | 112.3 | K176 T177 K181 Q199 | K176-L179 HydrophobicContact CB-CB 4.26Å; K176-L179 HydrophobicContact CB-CD1 3.93Å; K176-L179 HydrophobicContact CB-CG 3.83Å; K176-L179 HydrophobicContact CD-CD1 4.06Å; K176-L179 HydrophobicContact CD-CG 4.48Å; K176-L179 WeakPolarHBondContact O-CA 3.28Å; K176-L179 WeakPolarHBondContact O-CB 3.36Å; K176-L179 PolarHBondContact O-N 3.37Å; T177-L179 PolarHBondContact O-N 3.39Å; L179-K181 PolarHBondContact O-N 3.47Å; L179-Q199 HydrophobicContact CB-CG 3.82Å; L179-Q199 VanDerWaalsContact O-CG 3.3Å; L179-Q199 WeakPolarHBondContact O-CG 3.4Å; L179-Q199 PolarHBondContact O-NE2 2.98Å |
| 180 | T | 97.2 | Very high | 95.1 | Very high | 25 Ų | 25 | 69.2 Ų | 69.2 | 15% | 0.153 | 37% | 0.368 | C | S | . | . | trans | -66.1 | 132.5 | 175.7 | -60.8 | 0 | 0 | 0 | 0 | 110.3 | K176 T177 E196 M197 K267 E320 | K176-T180 PolarHBondContact O-N 3.41Å; T177-T180 WeakPolarHBondContact O-CB 3.49Å; T177-T180 PolarHBondContact O-N 2.92Å; T177-T180 VanDerWaalsContact O-N 3.09Å; T180-E196 HydrophobicContact CG2-CB 3.89Å; T180-M197 VanDerWaalsContact CA-O 3.31Å; T180-M197 WeakPolarHBondContact CA-O 3.49Å; T180-K267 HydrophobicContact CG2-CD 3.86Å; T180-E320 WeakPolarHBondContact CB-OE1 3.45Å; T180-E320 WeakPolarHBondContact OG1-CG 3.31Å; T180-E320 PolarHBondContact OG1-OE1 3.03Å | ||
| 181 | K | 97.2 | Very high | 95.4 | Very high | 125 Ų | 125 | 70.1 Ų | 70.1 | 54% | 0.543 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 142.7 | -178.3 | -65.6 | -176.1 | -175.2 | -177.8 | 0 | 112.4 | L179 T183 M197 | L179-K181 PolarHBondContact O-N 3.47Å; K181-T183 PolarHBondContact O-N 3.37Å; K181-T183 PolarHBondContact O-OG1 3.38Å; K181-T183 VanDerWaalsContact O-OG1 3.1Å; K181-M197 PolarHBondContact N-O 3.2Å; K181-M197 WeakPolarHBondContact O-CB 3.21Å; K181-M197 PolarHBondContact O-N 3.49Å |
| 182 | N | 97.8 | Very high | 95.5 | Very high | 125 Ų | 125 | 75.8 Ų | 75.8 | 67% | 0.668 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 119.7 | 167.3 | -74.2 | -10 | 0 | 0 | 0 | 109.7 | I194 V195 | N182-I194 HydrophobicContact CB-CG2 3.65Å; N182-V195 WeakPolarHBondContact CA-O 3.25Å |
| 183 | T | 97 | Very high | 95.6 | Very high | 50 Ų | 50 | 72.9 Ų | 72.9 | 31% | 0.307 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 147.6 | -175.2 | -53.3 | 0 | 0 | 0 | 0 | 109.4 | K181 V195 M197 | K181-T183 PolarHBondContact O-N 3.37Å; K181-T183 PolarHBondContact O-OG1 3.38Å; K181-T183 VanDerWaalsContact O-OG1 3.1Å; T183-V195 PolarHBondContact N-O 2.86Å; T183-V195 PolarHBondContact O-N 2.9Å; T183-M197 HydrophobicContact CG2-CE 4.27Å; T183-M197 WeakPolarHBondContact OG1-CB 3.4Å |
| 184 | T | 97.2 | Very high | 95.8 | Very high | 40 Ų | 40 | 76.3 Ų | 76.3 | 25% | 0.245 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 131.2 | 173.9 | -54 | 0 | 0 | 0 | 0 | 110.9 | Y186 E192 K193 | T184-Y186 HydrophobicContact CG2-CD1 4.42Å; T184-Y186 HydrophobicContact CG2-CD2 4.46Å; T184-Y186 HydrophobicContact CG2-CE1 4.05Å; T184-Y186 HydrophobicContact CG2-CE2 4.11Å; T184-E192 HydrophobicContact CG2-CB 3.84Å; T184-E192 HydrophobicContact CG2-CG 4.27Å; T184-E192 WeakPolarHBondContact CG2-OE2 3.32Å; T184-K193 CarbonylContact C-O 3.58Å |
| 185 | F | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.5 | 168.9 | -173.3 | -84.3 | 0 | 0 | 0 | 109.6 | V187 E192 K193 V195 P266 A350 D351 H352 P353 F354 Y372 Y373 G374 | F185-V187 HydrophobicContact CD1-CG2 4.01Å; F185-V187 HydrophobicContact CE1-CG2 4.43Å; F185-V187 PolarHBondContact O-N 3.33Å; F185-E192 CarbonylContact O-C 3.56Å; F185-E192 VanDerWaalsContact O-CA 3.26Å; F185-E192 WeakPolarHBondContact O-CA 3.44Å; F185-K193 PolarHBondContact N-O 3.25Å; F185-K193 PolarHBondContact O-N 3.2Å; F185-V195 HydrophobicContact CB-CB 4.41Å; F185-V195 HydrophobicContact CB-CG1 3.69Å; F185-V195 HydrophobicContact CB-CG2 3.82Å; F185-V195 HydrophobicContact CD2-CG2 4.48Å; F185-V195 HydrophobicContact CG-CG1 4.29Å; F185-P266 HydrophobicContact CD2-CG 4.09Å; F185-P266 HydrophobicContact CE2-CG 4.24Å; F185-A350 WeakPolarHBondContact CE2-O 3.3Å; F185-D351 CarbonylContact C-O 3.57Å; F185-D351 VanDerWaalsContact CA-O 3.29Å; F185-D351 WeakPolarHBondContact CA-O 3.45Å; F185-D351 VanDerWaalsContact CD2-C 3.42Å; F185-H352 WeakPolarHBondContact CE2-O 3.37Å; F185-H352 WeakPolarHBondContact CZ-O 3.25Å; F185-P353 HydrophobicContact CE1-CG 4.34Å; F185-P353 HydrophobicContact CZ-CG 4.44Å; F185-F354 HydrophobicContact CE2-CD1 4.39Å; F185-F354 HydrophobicContact CE2-CE1 4.1Å; F185-Y372 HydrophobicContact CD2-CD1 4.43Å; F185-Y372 AromaticContact CD2-CE1 3.9Å; F185-Y372 HydrophobicContact CD2-CE1 3.9Å; F185-Y372 HydrophobicContact CE1-CD1 4.3Å; F185-Y372 HydrophobicContact CE1-CE1 4.21Å; F185-Y372 AromaticContact CE2-CD1 3.58Å; F185-Y372 HydrophobicContact CE2-CD1 3.58Å; F185-Y372 AromaticContact CE2-CE1 3.49Å; F185-Y372 HydrophobicContact CE2-CE1 3.49Å; F185-Y372 VanDerWaalsContact CE2-CE1 3.49Å; F185-Y372 HydrophobicContact CG-CE1 4.4Å; F185-Y372 AromaticContact CZ-CD1 3.48Å; F185-Y372 HydrophobicContact CZ-CD1 3.48Å; F185-Y372 VanDerWaalsContact CZ-CD1 3.48Å; F185-Y372 AromaticContact CZ-CE1 3.65Å; F185-Y372 HydrophobicContact CZ-CE1 3.65Å; F185-Y373 VanDerWaalsContact CE1-C 3.44Å; F185-G374 VanDerWaalsContact CD1-CA 3.44Å; F185-G374 VanDerWaalsContact CE1-CA 3.49Å; F185-G374 VanDerWaalsContact CE1-N 3.27Å |
| 186 | Y | 97.5 | Very high | 95.9 | Very high | 74 Ų | 74 | 77.8 Ų | 77.8 | 29% | 0.29 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 91.2 | -174.1 | -59.1 | -92.4 | 0 | 0 | 0 | 110.3 | T184 E192 D351 P353 | T184-Y186 HydrophobicContact CG2-CD1 4.42Å; T184-Y186 HydrophobicContact CG2-CD2 4.46Å; T184-Y186 HydrophobicContact CG2-CE1 4.05Å; T184-Y186 HydrophobicContact CG2-CE2 4.11Å; Y186-E192 HydrophobicContact CD1-CB 4.5Å; Y186-D351 HydrophobicContact CD2-CB 4.43Å; Y186-D351 WeakPolarHBondContact CD2-O 3.13Å; Y186-D351 PolarHBondContact N-O 3.02Å; Y186-P353 WeakPolarHBondContact O-CD 3.33Å |
| 187 | V | 95.7 | Very high | 96 | Very high | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.018 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | -49.5 | -172.8 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | F185 E191 K193 P353 Y373 | F185-V187 HydrophobicContact CD1-CG2 4.01Å; F185-V187 HydrophobicContact CE1-CG2 4.43Å; F185-V187 PolarHBondContact O-N 3.33Å; V187-E191 HydrophobicContact CB-CB 4.28Å; V187-E191 HydrophobicContact CB-CG 4.06Å; V187-E191 HydrophobicContact CG1-CG 4.44Å; V187-E191 HydrophobicContact CG2-CG 4.38Å; V187-E191 PolarHBondContact N-O 2.83Å; V187-K193 HydrophobicContact CG2-CB 4.42Å; V187-K193 HydrophobicContact CG2-CD 4.02Å; V187-K193 HydrophobicContact CG2-CG 3.97Å; V187-P353 VanDerWaalsContact O-CG 3.24Å; V187-P353 WeakPolarHBondContact O-CG 3.48Å; V187-Y373 VanDerWaalsContact CG1-O 3.3Å; V187-Y373 WeakPolarHBondContact CG1-O 3.41Å; V187-Y373 WeakPolarHBondContact CG2-O 3.46Å |
| 188 | K | 93.8 | Very high | 96.2 | Very high | 81 Ų | 81 | 69 Ų | 69 | 35% | 0.352 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 175.6 | 175.1 | 58.6 | 176.4 | 173.8 | -166.1 | 0 | 108.4 | N22 G190 E191 F235 | N22-K188 HydrophobicContact CB-CD 4.19Å; K188-G190 PolarHBondContact O-N 3.25Å; K188-E191 WeakPolarHBondContact CE-OE2 3.33Å; K188-E191 HydrophobicContact CG-CB 3.76Å; K188-E191 PolarHBondContact N-O 3.26Å; K188-E191 IonicContact NZ-OE2 2.99Å; K188-E191 PolarHBondContact NZ-OE2 3.08Å; K188-E191 PolarHBondContact O-N 2.99Å; K188-F235 VanDerWaalsContact CA-CE1 3.46Å |
| 189 | Q | 92.6 | Very high | 96.2 | Very high | 171 Ų | 171 | 65.2 Ų | 65.2 | 80% | 0.799 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 118.9 | 177 | -169 | 162.6 | 8.2 | 0 | 0 | 111.1 | F235 | Q189-F235 HydrophobicContact CB-CD2 4.4Å; Q189-F235 HydrophobicContact CB-CE2 4.11Å |
| 190 | G | 93.9 | Very high | 96.2 | Very high | 90 Ų | 90 | 62.9 Ų | 62.9 | 93% | 0.928 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 2.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | K188 | K188-G190 PolarHBondContact O-N 3.25Š|
| 191 | E | 95.1 | Very high | 96.2 | Very high | 60 Ų | 60 | 67.6 Ų | 67.6 | 28% | 0.28 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 122.9 | 174.1 | -172.3 | 179.7 | 149.2 | 0 | 0 | 110.6 | V187 K188 K193 | V187-E191 HydrophobicContact CB-CB 4.28Å; V187-E191 HydrophobicContact CB-CG 4.06Å; V187-E191 HydrophobicContact CG1-CG 4.44Å; V187-E191 HydrophobicContact CG2-CG 4.38Å; V187-E191 PolarHBondContact N-O 2.83Å; K188-E191 WeakPolarHBondContact CE-OE2 3.33Å; K188-E191 HydrophobicContact CG-CB 3.76Å; K188-E191 PolarHBondContact N-O 3.26Å; K188-E191 IonicContact NZ-OE2 2.99Å; K188-E191 PolarHBondContact NZ-OE2 3.08Å; K188-E191 PolarHBondContact O-N 2.99Å; E191-K193 WeakPolarHBondContact OE1-CE 3.45Å; E191-K193 IonicContact OE1-NZ 3.9Å; E191-K193 PolarHBondContact OE1-NZ 2.91Å |
| 192 | E | 95.2 | Very high | 96.2 | Very high | 122 Ų | 122 | 65.9 Ų | 65.9 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 156.4 | 175.7 | 64.8 | -178.8 | -160.5 | 0 | 0 | 110.8 | T184 F185 Y186 | T184-E192 HydrophobicContact CG2-CB 3.84Å; T184-E192 HydrophobicContact CG2-CG 4.27Å; T184-E192 WeakPolarHBondContact CG2-OE2 3.32Å; F185-E192 CarbonylContact O-C 3.56Å; F185-E192 VanDerWaalsContact O-CA 3.26Å; F185-E192 WeakPolarHBondContact O-CA 3.44Å; Y186-E192 HydrophobicContact CD1-CB 4.5Å |
| 193 | K | 94.4 | Very high | 96.1 | Very high | 71 Ų | 71 | 66.1 Ų | 66.1 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 156 | 178.5 | -64.7 | -176.8 | -175.8 | 167.8 | 0 | 110.1 | T184 F185 V187 E191 S375 | T184-K193 CarbonylContact C-O 3.58Å; F185-K193 PolarHBondContact N-O 3.25Å; F185-K193 PolarHBondContact O-N 3.2Å; V187-K193 HydrophobicContact CG2-CB 4.42Å; V187-K193 HydrophobicContact CG2-CD 4.02Å; V187-K193 HydrophobicContact CG2-CG 3.97Å; E191-K193 WeakPolarHBondContact OE1-CE 3.45Å; E191-K193 IonicContact OE1-NZ 3.9Å; E191-K193 PolarHBondContact OE1-NZ 2.91Å; K193-S375 PolarHBondContact NZ-OG 3.32Å |
| 194 | I | 96.5 | Very high | 96.1 | Very high | 113 Ų | 113 | 63.9 Ų | 63.9 | 58% | 0.579 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 128.7 | 170.5 | -58.8 | -57.1 | 0 | 0 | 0 | 108.9 | N182 | N182-I194 HydrophobicContact CB-CG2 3.65Å |
| 195 | V | 96.4 | Very high | 96.2 | Very high | 11 Ų | 11 | 62.5 Ų | 62.5 | 7% | 0.067 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 151.6 | 174.8 | -56.9 | 0 | 0 | 0 | 0 | 110.1 | N182 T183 F185 M197 P266 | N182-V195 WeakPolarHBondContact CA-O 3.25Å; T183-V195 PolarHBondContact N-O 2.86Å; T183-V195 PolarHBondContact O-N 2.9Å; F185-V195 HydrophobicContact CB-CB 4.41Å; F185-V195 HydrophobicContact CB-CG1 3.69Å; F185-V195 HydrophobicContact CB-CG2 3.82Å; F185-V195 HydrophobicContact CD2-CG2 4.48Å; F185-V195 HydrophobicContact CG-CG1 4.29Å; V195-M197 HydrophobicContact CG2-CE 4.1Å; V195-M197 PolarHBondContact O-N 3.05Å; V195-P266 HydrophobicContact CB-CB 4.4Å; V195-P266 HydrophobicContact CG2-CB 4.05Å; V195-P266 HydrophobicContact CG2-CG 4.14Å |
| 196 | E | 96.1 | Very high | 96.2 | Very high | 93 Ų | 93 | 62.6 Ų | 62.6 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 111.1 | 168 | -67.9 | 178.7 | 82 | 0 | 0 | 109.2 | T180 P266 K267 | T180-E196 HydrophobicContact CG2-CB 3.89Å; E196-P266 CarbonylContact O-C 3.59Å; E196-P266 WeakPolarHBondContact O-CA 3.31Å; E196-K267 HydrophobicContact CB-CB 4.24Å; E196-K267 HydrophobicContact CB-CD 3.76Å; E196-K267 HydrophobicContact CB-CG 4.26Å; E196-K267 PolarHBondContact O-N 3.26Å; E196-K267 IonicContact OE1-NZ 3.96Å; E196-K267 PolarHBondContact OE1-NZ 3.41Å; E196-K267 IonicContact OE2-NZ 2.75Å |
| 197 | M | 97.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 113.5 | -179.1 | -169.9 | 70.5 | 70 | 0 | 0 | 110 | T180 K181 T183 V195 H264 I265 P266 D351 | T180-M197 VanDerWaalsContact CA-O 3.31Å; T180-M197 WeakPolarHBondContact CA-O 3.49Å; K181-M197 PolarHBondContact N-O 3.2Å; K181-M197 WeakPolarHBondContact O-CB 3.21Å; K181-M197 PolarHBondContact O-N 3.49Å; T183-M197 HydrophobicContact CG2-CE 4.27Å; T183-M197 WeakPolarHBondContact OG1-CB 3.4Å; V195-M197 HydrophobicContact CG2-CE 4.1Å; V195-M197 PolarHBondContact O-N 3.05Å; M197-H264 HydrophobicContact CG-CB 3.85Å; M197-H264 HydrophobicContact SD-CB 3.94Å; M197-I265 PolarHBondContact SD-N 3.41Å; M197-I265 VanDerWaalsContact SD-N 3.36Å; M197-P266 HydrophobicContact CE-CG 3.98Å; M197-P266 HydrophobicContact SD-CG 4.01Å; M197-P266 VanDerWaalsContact SD-N 3.44Å; M197-D351 HydrophobicContact CE-CB 4.4Å |
| 198 | M | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 144 | 171.1 | -48.2 | -178.5 | -73.2 | 0 | 0 | 109.1 | F175 H264 I265 K267 I318 E320 | F175-M198 HydrophobicContact CB-CB 4.17Å; F175-M198 HydrophobicContact CD1-CB 3.55Å; F175-M198 HydrophobicContact CD2-CB 4.39Å; F175-M198 HydrophobicContact CD2-CE 4.28Å; F175-M198 HydrophobicContact CD2-SD 4.02Å; F175-M198 HydrophobicContact CE1-CB 3.98Å; F175-M198 HydrophobicContact CE2-CE 4.14Å; F175-M198 HydrophobicContact CE2-SD 4.48Å; F175-M198 HydrophobicContact CG-CB 3.79Å; F175-M198 HydrophobicContact CG-SD 4.2Å; F175-M198 HydrophobicContact CZ-CE 4.49Å; M198-H264 CarbonylContact O-C 3.49Å; M198-H264 VanDerWaalsContact O-CA 3.27Å; M198-H264 WeakPolarHBondContact O-CA 3.37Å; M198-I265 WeakPolarHBondContact CB-O 3.44Å; M198-I265 HydrophobicContact CE-CB 4.4Å; M198-I265 HydrophobicContact CE-CG2 4.22Å; M198-I265 PolarHBondContact N-O 3.35Å; M198-I265 PolarHBondContact O-N 3.11Å; M198-K267 HydrophobicContact CE-CG 4.36Å; M198-K267 HydrophobicContact CG-CD 3.97Å; M198-K267 HydrophobicContact CG-CG 3.35Å; M198-K267 HydrophobicContact SD-CD 4.43Å; M198-K267 HydrophobicContact SD-CG 3.62Å; M198-I318 HydrophobicContact CE-CG2 3.81Å; M198-E320 HydrophobicContact CG-CG 3.99Å; M198-E320 VanDerWaalsContact SD-CA 3.53Å; M198-E320 HydrophobicContact SD-CB 4.3Å; M198-E320 HydrophobicContact SD-CG 3.9Å; M198-E320 PolarHBondContact SD-N 2.97Å |
| 199 | Q | 97.7 | Very high | 96.4 | Very high | 42 Ų | 42 | 62.2 Ų | 62.2 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 145.3 | 178.4 | 68.7 | -170.1 | -64.7 | 0 | 0 | 113.7 | L179 V263 H264 | L179-Q199 HydrophobicContact CB-CG 3.82Å; L179-Q199 VanDerWaalsContact O-CG 3.3Å; L179-Q199 WeakPolarHBondContact O-CG 3.4Å; L179-Q199 PolarHBondContact O-NE2 2.98Å; Q199-V263 CarbonylContact C-O 3.58Å; Q199-V263 WeakPolarHBondContact CA-O 3.43Å; Q199-H264 PolarHBondContact OE1-CE1 3.4Å; Q199-H264 VanDerWaalsContact OE1-CE1 3.27Å |
| 200 | M | 96.6 | Very high | 96.6 | Very high | 22 Ų | 22 | 63 Ų | 63 | 11% | 0.108 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 167.5 | 170.8 | 72.4 | 167.3 | 84 | 0 | 0 | 112.3 | T173 F175 K202 F204 V263 | T173-M200 HydrophobicContact CG2-SD 4.25Å; T173-M200 WeakPolarHBondContact O-CE 3.23Å; F175-M200 HydrophobicContact CB-CE 3.94Å; F175-M200 HydrophobicContact CD1-CB 4.1Å; F175-M200 HydrophobicContact CD1-CE 3.27Å; F175-M200 HydrophobicContact CD1-CG 3.96Å; F175-M200 HydrophobicContact CD1-SD 4.48Å; F175-M200 HydrophobicContact CD2-CE 3.42Å; F175-M200 VanDerWaalsContact CD2-CE 3.42Å; F175-M200 HydrophobicContact CE1-CB 4.36Å; F175-M200 HydrophobicContact CE1-CE 3.47Å; F175-M200 VanDerWaalsContact CE1-CE 3.47Å; F175-M200 HydrophobicContact CE1-CG 3.78Å; F175-M200 HydrophobicContact CE1-SD 4.42Å; F175-M200 HydrophobicContact CE2-CE 3.61Å; F175-M200 HydrophobicContact CG-CE 3.24Å; F175-M200 HydrophobicContact CZ-CE 3.63Å; F175-M200 HydrophobicContact CZ-CG 4.5Å; M200-K202 HydrophobicContact CG-CB 4.49Å; M200-K202 HydrophobicContact SD-CB 3.92Å; M200-F204 HydrophobicContact CE-CZ 4.29Å; M200-F204 HydrophobicContact CG-CE2 4.03Å; M200-F204 HydrophobicContact SD-CE2 3.53Å; M200-F204 VanDerWaalsContact SD-CE2 3.53Å; M200-F204 HydrophobicContact SD-CZ 3.49Å; M200-F204 WeakPolarHBondContact SD-CZ 3.22Å; M200-V263 PolarHBondContact N-O 2.96Å; M200-V263 PolarHBondContact O-N 3.31Å |
| 201 | K | 96.9 | Very high | 96.7 | Very high | 125 Ų | 125 | 62.5 Ų | 62.5 | 54% | 0.543 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 111.7 | 169.9 | -65.4 | -177 | -178.6 | -162.3 | 0 | 108.9 | V261 E262 | K201-V261 WeakPolarHBondContact CA-O 3.47Å; K201-E262 HydrophobicContact CD-CB 4.47Å; K201-E262 HydrophobicContact CD-CG 4.44Å; K201-E262 WeakPolarHBondContact CE-OE2 3.46Å; K201-E262 HydrophobicContact CG-CB 4.01Å; K201-E262 HydrophobicContact CG-CG 4.03Å; K201-E262 IonicContact NZ-OE2 2.76Å; K201-E262 PolarHBondContact NZ-OE2 2.72Å |
| 202 | K | 95.5 | Very high | 96.9 | Very high | 89 Ų | 89 | 60.5 Ų | 60.5 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 165.8 | -175.2 | -167.2 | 61.7 | 177.8 | 178.3 | 0 | 110.7 | T173 M200 F204 K260 V261 | T173-K202 HydrophobicContact CG2-CD 4.44Å; T173-K202 HydrophobicContact CG2-CG 4.25Å; M200-K202 HydrophobicContact CG-CB 4.49Å; M200-K202 HydrophobicContact SD-CB 3.92Å; K202-F204 HydrophobicContact CB-CD2 4.15Å; K202-F204 HydrophobicContact CB-CE2 3.67Å; K202-F204 HydrophobicContact CB-CZ 3.95Å; K202-F204 HydrophobicContact CG-CE1 4.4Å; K202-F204 HydrophobicContact CG-CE2 4.26Å; K202-F204 HydrophobicContact CG-CZ 4.06Å; K202-K260 CarbonylContact O-C 3.59Å; K202-K260 WeakPolarHBondContact O-CA 3.48Å; K202-V261 PolarHBondContact N-O 2.66Å; K202-V261 VanDerWaalsContact N-O 3.15Å; K202-V261 PolarHBondContact O-N 2.94Å |
| 203 | E | 96.8 | Very high | 97.1 | Very high | 130 Ų | 130 | 56 Ų | 56 | 61% | 0.607 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 125.9 | 168.2 | -72.1 | 173.3 | -178 | 0 | 0 | 109.8 | R259 K260 | E203-R259 VanDerWaalsContact CA-O 3.28Å; E203-R259 WeakPolarHBondContact CA-O 3.38Å; E203-K260 HydrophobicContact CG-CB 4.23Å |
| 204 | F | 97.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 155.5 | 176.9 | -72.7 | -52.7 | 0 | 0 | 0 | 110.5 | M200 K202 Y206 L215 G216 I217 E258 R259 V263 | M200-F204 HydrophobicContact CE-CZ 4.29Å; M200-F204 HydrophobicContact CG-CE2 4.03Å; M200-F204 HydrophobicContact SD-CE2 3.53Å; M200-F204 VanDerWaalsContact SD-CE2 3.53Å; M200-F204 HydrophobicContact SD-CZ 3.49Å; M200-F204 WeakPolarHBondContact SD-CZ 3.22Å; K202-F204 HydrophobicContact CB-CD2 4.15Å; K202-F204 HydrophobicContact CB-CE2 3.67Å; K202-F204 HydrophobicContact CB-CZ 3.95Å; K202-F204 HydrophobicContact CG-CE1 4.4Å; K202-F204 HydrophobicContact CG-CE2 4.26Å; K202-F204 HydrophobicContact CG-CZ 4.06Å; F204-Y206 PolarHBondContact O-N 3.45Å; F204-Y206 VanDerWaalsContact O-N 3.15Å; F204-L215 HydrophobicContact CB-CD1 3.75Å; F204-L215 HydrophobicContact CD2-CD1 4.37Å; F204-L215 HydrophobicContact CG-CD1 4.37Å; F204-G216 WeakPolarHBondContact CB-O 3.12Å; F204-I217 HydrophobicContact CE1-CG2 4Å; F204-I217 HydrophobicContact CZ-CG2 4.24Å; F204-E258 WeakPolarHBondContact CA-OE2 3.31Å; F204-E258 PolarHBondContact N-OE2 3.37Å; F204-R259 PolarHBondContact N-O 3.14Å; F204-R259 PolarHBondContact O-N 2.99Å; F204-V263 HydrophobicContact CD2-CG2 3.89Å; F204-V263 HydrophobicContact CE2-CG2 4.22Å |
| 205 | P | 98.1 | Very high | 97.4 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 7% | 0.071 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 119.7 | 167 | -24.7 | 32.6 | 0 | 0 | 0 | 110.7 | L215 G216 L225 T256 E258 | P205-L215 CarbonylContact O-C 3.29Å; P205-G216 WeakPolarHBondContact CD-O 3.14Å; P205-G216 PolarHBondContact O-N 2.59Å; P205-L225 HydrophobicContact CG-CD2 4.01Å; P205-T256 WeakPolarHBondContact CB-OG1 3.48Å; P205-E258 VanDerWaalsContact CD-OE1 3.22Å; P205-E258 WeakPolarHBondContact CD-OE1 3.41Å; P205-E258 WeakPolarHBondContact CD-OE2 3.25Å; P205-E258 WeakPolarHBondContact CG-OE1 3.27Å |
| 206 | Y | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 144.4 | -174.7 | -176.9 | -101 | 0 | 0 | 0 | 112.5 | F204 E208 Q213 I214 L215 I257 V261 P346 F348 | F204-Y206 PolarHBondContact O-N 3.45Å; F204-Y206 VanDerWaalsContact O-N 3.15Å; Y206-E208 HydrophobicContact CE1-CG 3.66Å; Y206-E208 VanDerWaalsContact OH-CD 3.31Å; Y206-E208 VanDerWaalsContact OH-CG 3.23Å; Y206-E208 WeakPolarHBondContact OH-CG 3.29Å; Y206-E208 PolarHBondContact OH-OE1 3.16Å; Y206-Q213 HydrophobicContact CE2-CB 4.41Å; Y206-Q213 PolarHBondContact OH-NE2 3.35Å; Y206-I214 WeakPolarHBondContact CA-O 3.48Å; Y206-I214 WeakPolarHBondContact CD2-O 3.34Å; Y206-L215 HydrophobicContact CD2-CB 4.34Å; Y206-L215 HydrophobicContact CD2-CD1 4.26Å; Y206-I257 PolarHBondContact N-O 3.28Å; Y206-I257 PolarHBondContact O-N 3.23Å; Y206-I257 VanDerWaalsContact O-O 3.13Å; Y206-V261 HydrophobicContact CD1-CG2 4.06Å; Y206-V261 HydrophobicContact CD2-CG1 4.13Å; Y206-V261 HydrophobicContact CD2-CG2 3.77Å; Y206-V261 HydrophobicContact CE2-CG1 4.13Å; Y206-V261 HydrophobicContact CE2-CG2 4.43Å; Y206-V261 HydrophobicContact CG-CG2 3.53Å; Y206-P346 HydrophobicContact CD1-CG 4.03Å; Y206-P346 HydrophobicContact CE1-CB 3.71Å; Y206-P346 HydrophobicContact CE1-CG 3.61Å; Y206-F348 HydrophobicContact CE2-CB 4.28Å; Y206-F348 HydrophobicContact CE2-CD2 4.01Å |
| 207 | T | 98.3 | Very high | 97.5 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 14% | 0.141 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 169.7 | 164.8 | -163.7 | 0 | 0 | 0 | 0 | 111 | I214 S255 T256 | T207-I214 HydrophobicContact CG2-CB 3.84Å; T207-I214 HydrophobicContact CG2-CD1 4.05Å; T207-I214 HydrophobicContact CG2-CG1 4.09Å; T207-I214 PolarHBondContact N-O 2.91Å; T207-I214 PolarHBondContact O-N 3.01Å; T207-S255 VanDerWaalsContact CG2-OG 3.31Å; T207-S255 WeakPolarHBondContact CG2-OG 3.44Å; T207-T256 HydrophobicContact CG2-CG2 4.12Å |
| 208 | E | 97.4 | Very high | 97.4 | Very high | 79 Ų | 79 | 43.3 Ų | 43.3 | 37% | 0.369 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 145.7 | 169.3 | -56.4 | -168.1 | 179.7 | 0 | 0 | 110.4 | Y206 Y212 Q213 K232 | Y206-E208 HydrophobicContact CE1-CG 3.66Å; Y206-E208 VanDerWaalsContact OH-CD 3.31Å; Y206-E208 VanDerWaalsContact OH-CG 3.23Å; Y206-E208 WeakPolarHBondContact OH-CG 3.29Å; Y206-E208 PolarHBondContact OH-OE1 3.16Å; E208-Y212 CarbonylContact C-O 3.57Å; E208-Y212 WeakPolarHBondContact CA-O 3.23Å; E208-Q213 HydrophobicContact CG-CB 4.37Å; E208-Q213 HydrophobicContact CG-CG 3.93Å; E208-Q213 PolarHBondContact OE1-NE2 3.04Å; E208-K232 VanDerWaalsContact OE2-CE 3.25Å; E208-K232 WeakPolarHBondContact OE2-CE 3.15Å; E208-K232 IonicContact OE2-NZ 3.79Å; E208-K232 PolarHBondContact OE2-NZ 3.16Å |
| 209 | T | 96.3 | Very high | 97.1 | Very high | 49 Ų | 49 | 43.6 Ų | 43.6 | 30% | 0.301 | 21% | 0.208 | S | C | . | . | trans | -105 | -176.6 | 163 | 72.9 | 0 | 0 | 0 | 0 | 109.4 | E211 Y212 I214 K232 L252 | T209-E211 PolarHBondContact O-N 2.95Å; T209-E211 PolarHBondContact OG1-N 3.01Å; T209-E211 VanDerWaalsContact OG1-N 3.13Å; T209-Y212 PolarHBondContact N-O 3.17Å; T209-Y212 PolarHBondContact OG1-N 3.05Å; T209-I214 HydrophobicContact CG2-CD1 4.31Å; T209-K232 VanDerWaalsContact O-CE 3.24Å; T209-K232 WeakPolarHBondContact O-CE 3.4Å; T209-K232 PolarHBondContact O-NZ 2.86Å; T209-L252 HydrophobicContact CG2-CD2 3.84Å | ||
| 210 | E | 95.9 | Very high | 96.7 | Very high | 188 Ų | 188 | 46.3 Ų | 46.3 | 88% | 0.879 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -62.2 | -26.3 | 169.8 | -65.2 | -176.1 | 170 | 0 | 0 | 112.8 | K232 | E210-K232 WeakPolarHBondContact O-CD 2.79Š|
| 211 | E | 97.1 | Very high | 95.9 | Very high | 79 Ų | 79 | 45.6 Ų | 45.6 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -108.9 | -26.3 | -172.9 | -61 | -170.5 | 116.7 | 0 | 0 | 113.9 | T209 K232 K243 | T209-E211 PolarHBondContact O-N 2.95Å; T209-E211 PolarHBondContact OG1-N 3.01Å; T209-E211 VanDerWaalsContact OG1-N 3.13Å; E211-K232 PolarHBondContact O-N 3.02Å; E211-K243 IonicContact OE1-NZ 3.72Å; E211-K243 PolarHBondContact OE1-NZ 3.28Å; E211-K243 IonicContact OE2-NZ 3.07Å |
| 212 | Y | 98.1 | Very high | 94.9 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 7% | 0.071 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 150.2 | -167.1 | -43.1 | -54.7 | 0 | 0 | 0 | 112 | E208 T209 V229 L230 M240 L252 | E208-Y212 CarbonylContact C-O 3.57Å; E208-Y212 WeakPolarHBondContact CA-O 3.23Å; T209-Y212 PolarHBondContact N-O 3.17Å; T209-Y212 PolarHBondContact OG1-N 3.05Å; Y212-V229 HydrophobicContact CG-CG1 4.29Å; Y212-L230 CarbonylContact C-O 3.58Å; Y212-L230 VanDerWaalsContact CA-O 3.3Å; Y212-L230 WeakPolarHBondContact CA-O 3.18Å; Y212-M240 HydrophobicContact CD1-CB 4.38Å; Y212-M240 HydrophobicContact CD1-CG 3.87Å; Y212-M240 HydrophobicContact CD1-SD 3.55Å; Y212-M240 VanDerWaalsContact CD1-SD 3.55Å; Y212-M240 HydrophobicContact CE1-CB 3.59Å; Y212-M240 HydrophobicContact CE1-CG 3.37Å; Y212-M240 HydrophobicContact CE1-SD 3.71Å; Y212-M240 HydrophobicContact CE2-CG 4.32Å; Y212-M240 HydrophobicContact CG-SD 4.17Å; Y212-L252 HydrophobicContact CD2-CD1 4.4Å |
| 213 | Q | 98.7 | Very high | 94.5 | Very high | 27 Ų | 27 | 47 Ų | 47 | 13% | 0.126 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 140 | 159.3 | -56.2 | -178.2 | -73.1 | 0 | 0 | 108.8 | Y206 E208 V229 L230 K232 K347 F348 | Y206-Q213 HydrophobicContact CE2-CB 4.41Å; Y206-Q213 PolarHBondContact OH-NE2 3.35Å; E208-Q213 HydrophobicContact CG-CB 4.37Å; E208-Q213 HydrophobicContact CG-CG 3.93Å; E208-Q213 PolarHBondContact OE1-NE2 3.04Å; Q213-V229 WeakPolarHBondContact O-CA 3.28Å; Q213-L230 PolarHBondContact N-O 3.14Å; Q213-L230 PolarHBondContact O-N 2.92Å; Q213-K232 HydrophobicContact CG-CG 4.33Å; Q213-K347 PolarHBondContact NE2-O 2.78Å; Q213-F348 HydrophobicContact CB-CD2 3.71Å; Q213-F348 HydrophobicContact CB-CE2 3.84Å |
| 214 | I | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 125.8 | -178.8 | -56.2 | 63.2 | 0 | 0 | 0 | 107.5 | Y206 T207 T209 Y227 F228 V229 L252 F253 T256 | Y206-I214 WeakPolarHBondContact CA-O 3.48Å; Y206-I214 WeakPolarHBondContact CD2-O 3.34Å; T207-I214 HydrophobicContact CG2-CB 3.84Å; T207-I214 HydrophobicContact CG2-CD1 4.05Å; T207-I214 HydrophobicContact CG2-CG1 4.09Å; T207-I214 PolarHBondContact N-O 2.91Å; T207-I214 PolarHBondContact O-N 3.01Å; T209-I214 HydrophobicContact CG2-CD1 4.31Å; I214-Y227 HydrophobicContact CG2-CD1 4.33Å; I214-F228 WeakPolarHBondContact CA-O 3.32Å; I214-V229 HydrophobicContact CG1-CG1 4.4Å; I214-L252 HydrophobicContact CD1-CD2 4.16Å; I214-L252 HydrophobicContact CG1-CB 4.08Å; I214-L252 HydrophobicContact CG1-CD2 4.3Å; I214-F253 HydrophobicContact CG2-CD1 4.45Å; I214-T256 HydrophobicContact CB-CG2 4.14Å; I214-T256 HydrophobicContact CG2-CG2 3.53Å |
| 215 | L | 98.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129.7 | 178.3 | 173.5 | 68.8 | 0 | 0 | 0 | 109.2 | F204 P205 Y206 I217 Y227 F228 V263 I265 F348 | F204-L215 HydrophobicContact CB-CD1 3.75Å; F204-L215 HydrophobicContact CD2-CD1 4.37Å; F204-L215 HydrophobicContact CG-CD1 4.37Å; P205-L215 CarbonylContact O-C 3.29Å; Y206-L215 HydrophobicContact CD2-CB 4.34Å; Y206-L215 HydrophobicContact CD2-CD1 4.26Å; L215-I217 HydrophobicContact CD2-CD1 4.15Å; L215-I217 HydrophobicContact CD2-CG1 4.21Å; L215-I217 HydrophobicContact CG-CG1 4.14Å; L215-Y227 CarbonylContact O-C 3.55Å; L215-Y227 VanDerWaalsContact O-CA 3.24Å; L215-Y227 WeakPolarHBondContact O-CA 3.42Å; L215-F228 HydrophobicContact CD2-CD2 4.49Å; L215-F228 PolarHBondContact N-O 3.23Å; L215-F228 PolarHBondContact O-N 3.1Å; L215-V263 HydrophobicContact CD1-CG2 4.01Å; L215-V263 HydrophobicContact CD2-CB 4.26Å; L215-V263 HydrophobicContact CD2-CG1 3.55Å; L215-V263 HydrophobicContact CD2-CG2 3.69Å; L215-I265 HydrophobicContact CD2-CD1 3.85Å; L215-F348 HydrophobicContact CB-CD1 4.26Å; L215-F348 HydrophobicContact CB-CD2 3.81Å; L215-F348 HydrophobicContact CB-CE1 4.23Å; L215-F348 HydrophobicContact CB-CE2 3.77Å; L215-F348 HydrophobicContact CB-CG 4.05Å; L215-F348 HydrophobicContact CB-CZ 3.99Å; L215-F348 HydrophobicContact CD2-CB 4.32Å; L215-F348 HydrophobicContact CD2-CD1 3.55Å; L215-F348 HydrophobicContact CD2-CD2 4.46Å; L215-F348 HydrophobicContact CD2-CE1 3.91Å; L215-F348 HydrophobicContact CD2-CG 3.85Å; L215-F348 HydrophobicContact CD2-CZ 4.5Å |
| 216 | G | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 136.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | F204 P205 M226 | F204-G216 WeakPolarHBondContact CB-O 3.12Å; P205-G216 WeakPolarHBondContact CD-O 3.14Å; P205-G216 PolarHBondContact O-N 2.59Å; G216-M226 CarbonylContact C-O 3.44Å; G216-M226 WeakPolarHBondContact CA-O 3.42Å |
| 217 | I | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118.1 | 171.4 | -57.6 | -174.8 | 0 | 0 | 0 | 107.9 | W171 F175 F204 L215 M226 F228 V263 I265 | W171-I217 HydrophobicContact CD2-CG2 4.08Å; W171-I217 HydrophobicContact CE3-CB 4.25Å; W171-I217 HydrophobicContact CE3-CG2 3.48Å; W171-I217 VanDerWaalsContact CE3-CG2 3.48Å; W171-I217 HydrophobicContact CZ3-CB 3.98Å; W171-I217 HydrophobicContact CZ3-CG2 3.74Å; F175-I217 HydrophobicContact CE2-CD1 4.33Å; F175-I217 HydrophobicContact CZ-CD1 3.92Å; F204-I217 HydrophobicContact CE1-CG2 4Å; F204-I217 HydrophobicContact CZ-CG2 4.24Å; L215-I217 HydrophobicContact CD2-CD1 4.15Å; L215-I217 HydrophobicContact CD2-CG1 4.21Å; L215-I217 HydrophobicContact CG-CG1 4.14Å; I217-M226 PolarHBondContact N-O 3.04Å; I217-M226 PolarHBondContact O-N 3.4Å; I217-F228 HydrophobicContact CD1-CE2 4.02Å; I217-F228 HydrophobicContact CG1-CE2 4.24Å; I217-V263 HydrophobicContact CD1-CG1 4.3Å; I217-I265 HydrophobicContact CD1-CD1 3.43Å; I217-I265 VanDerWaalsContact CD1-CD1 3.43Å |
| 218 | P | 94.9 | Very high | 94.1 | Very high | 23 Ų | 23 | 40.8 Ų | 40.8 | 15% | 0.149 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 137.9 | 179.6 | 28 | -32 | 0 | 0 | 0 | 111.8 | K172 L225 | K172-P218 HydrophobicContact CB-CB 4.26Å; K172-P218 HydrophobicContact CB-CG 4.12Å; K172-P218 WeakPolarHBondContact CB-O 3.19Å; K172-P218 HydrophobicContact CD-CB 4.32Å; K172-P218 HydrophobicContact CD-CG 4.18Å; K172-P218 PolarHBondContact N-O 2.93Å; P218-L225 HydrophobicContact CB-CD1 4.23Å; P218-L225 HydrophobicContact CB-CG 4.24Å |
| 219 | Y | 92.2 | Very high | 94.2 | Very high | 6 Ų | 6 | 37 Ų | 37 | 2% | 0.024 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -77 | 166.4 | 162.8 | -70.1 | -75.6 | 0 | 0 | 0 | 110.5 | F167 A169 D170 W171 T221 L224 M226 I358 | F167-Y219 HydrophobicContact CE1-CE1 4.35Å; F167-Y219 HydrophobicContact CE1-CE2 4.12Å; F167-Y219 AromaticContact CE1-CZ 3.89Å; F167-Y219 HydrophobicContact CZ-CD2 4.48Å; F167-Y219 HydrophobicContact CZ-CE2 4.24Å; A169-Y219 HydrophobicContact CB-CD1 3.4Å; A169-Y219 VanDerWaalsContact CB-CD1 3.4Å; A169-Y219 HydrophobicContact CB-CE1 3.74Å; A169-Y219 HydrophobicContact CB-CG 3.9Å; A169-Y219 WeakPolarHBondContact O-CD1 3.47Å; A169-Y219 VanDerWaalsContact O-CE1 3.32Å; A169-Y219 WeakPolarHBondContact O-CE1 2.95Å; D170-Y219 CarbonylContact O-C 3.31Å; D170-Y219 VanDerWaalsContact O-CA 3.32Å; D170-Y219 WeakPolarHBondContact O-CA 3.12Å; D170-Y219 WeakPolarHBondContact O-CD1 3.46Å; W171-Y219 HydrophobicContact CD2-CD1 4.33Å; W171-Y219 HydrophobicContact CD2-CE1 4.08Å; W171-Y219 AromaticContact CE3-CD1 3.64Å; W171-Y219 HydrophobicContact CE3-CD1 3.64Å; W171-Y219 AromaticContact CE3-CE1 3.52Å; W171-Y219 HydrophobicContact CE3-CE1 3.52Å; W171-Y219 HydrophobicContact CE3-CG 4.23Å; W171-Y219 AromaticContact CH2-CE1 3.71Å; W171-Y219 HydrophobicContact CH2-CE1 3.71Å; W171-Y219 HydrophobicContact CH2-CE2 4.33Å; W171-Y219 AromaticContact CH2-CZ 3.55Å; W171-Y219 WeakPolarHBondContact CH2-OH 3.45Å; W171-Y219 HydrophobicContact CZ2-CE1 4.23Å; W171-Y219 AromaticContact CZ3-CD1 3.81Å; W171-Y219 HydrophobicContact CZ3-CD1 3.81Å; W171-Y219 HydrophobicContact CZ3-CD2 4.22Å; W171-Y219 AromaticContact CZ3-CE1 3.32Å; W171-Y219 HydrophobicContact CZ3-CE1 3.32Å; W171-Y219 AromaticContact CZ3-CE2 3.81Å; W171-Y219 HydrophobicContact CZ3-CE2 3.81Å; W171-Y219 HydrophobicContact CZ3-CG 4.24Å; W171-Y219 AromaticContact CZ3-CZ 3.32Å; Y219-T221 PolarHBondContact O-N 3.24Å; Y219-L224 HydrophobicContact CD2-CB 4.06Å; Y219-L224 PolarHBondContact N-O 3.07Å; Y219-M226 HydrophobicContact CE2-CB 3.82Å; Y219-I358 HydrophobicContact CE2-CD1 4.31Å; Y219-I358 HydrophobicContact CE2-CG1 4.18Å; Y219-I358 HydrophobicContact CE2-CG2 4.27Å |
| 220 | M | 88.2 | Confident | 94.3 | Very high | 100 Ų | 100 | 34.8 Ų | 34.8 | 49% | 0.493 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -56.5 | -36.9 | 174.7 | -81.5 | -68.6 | -172.7 | 0 | 0 | 111.7 | D170 E222 | D170-M220 HydrophobicContact CB-CB 4.39Å; D170-M220 HydrophobicContact CB-CG 3.79Å; D170-M220 PolarHBondContact O-N 2.85Å; M220-E222 PolarHBondContact O-N 3.29Å |
| 221 | T | 81.6 | Confident | 94.4 | Very high | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.043 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -65.5 | 124.2 | 172.6 | -46.8 | 0 | 0 | 0 | 0 | 110.6 | E83 Y85 Y219 N223 L224 | E83-T221 HydrophobicContact CB-CG2 3.78Å; E83-T221 HydrophobicContact CG-CG2 4.48Å; E83-T221 PolarHBondContact O-OG1 2.92Å; E83-T221 VanDerWaalsContact OE2-CG2 3.24Å; E83-T221 WeakPolarHBondContact OE2-CG2 3.48Å; Y85-T221 HydrophobicContact CD1-CG2 4.03Å; Y85-T221 WeakPolarHBondContact CD1-OG1 3.47Å; Y85-T221 HydrophobicContact CE1-CG2 3.93Å; Y219-T221 PolarHBondContact O-N 3.24Å; T221-N223 PolarHBondContact O-N 3.05Å; T221-L224 HydrophobicContact CG2-CD1 3.77Å; T221-L224 HydrophobicContact CG2-CG 4.13Å; T221-L224 PolarHBondContact O-N 3.44Å |
| 222 | E | 75.7 | Confident | 94.5 | Very high | 163 Ų | 163 | 26.7 Ų | 26.7 | 76% | 0.762 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | 139.9 | 174.2 | -62.7 | -170.6 | 169.2 | 0 | 0 | 110.2 | M220 L224 | M220-E222 PolarHBondContact O-N 3.29Å; E222-L224 PolarHBondContact O-N 2.92Å |
| 223 | N | 85.6 | Confident | 94.5 | Very high | 81 Ų | 81 | 31.8 Ų | 31.8 | 43% | 0.433 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 2 | 177.3 | -50.8 | -44.5 | 0 | 0 | 0 | 116.8 | T221 H361 S362 | T221-N223 PolarHBondContact O-N 3.05Å; N223-H361 HydrophobicContact CB-CB 4.02Å; N223-H361 WeakPolarHBondContact O-CB 3.31Å; N223-H361 PolarHBondContact O-CD2 2.92Å; N223-H361 PolarHBondContact O-N 3.45Å; N223-S362 WeakPolarHBondContact CB-OG 3.32Å; N223-S362 PolarHBondContact ND2-OG 2.95Å |
| 224 | L | 92 | Very high | 94.4 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 113.2 | 166.7 | -77.6 | 178.2 | 0 | 0 | 0 | 110.7 | Y85 F167 Y219 T221 E222 I358 M359 D360 | Y85-L224 HydrophobicContact CD1-CD1 4.33Å; Y85-L224 HydrophobicContact CE1-CD1 4.41Å; Y85-L224 HydrophobicContact CG-CD1 4.46Å; F167-L224 HydrophobicContact CE2-CD1 4.22Å; F167-L224 HydrophobicContact CZ-CD1 4.37Å; Y219-L224 HydrophobicContact CD2-CB 4.06Å; Y219-L224 PolarHBondContact N-O 3.07Å; T221-L224 HydrophobicContact CG2-CD1 3.77Å; T221-L224 HydrophobicContact CG2-CG 4.13Å; T221-L224 PolarHBondContact O-N 3.44Å; E222-L224 PolarHBondContact O-N 2.92Å; L224-I358 HydrophobicContact CD2-CG2 4.2Å; L224-M359 WeakPolarHBondContact CA-O 3.49Å; L224-D360 HydrophobicContact CD2-CB 3.63Å |
| 225 | L | 95.6 | Very high | 94.2 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 13% | 0.126 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 136 | 177.1 | -84.7 | 69.5 | 0 | 0 | 0 | 110.2 | P205 P218 Y227 I358 M359 | P205-L225 HydrophobicContact CG-CD2 4.01Å; P218-L225 HydrophobicContact CB-CD1 4.23Å; P218-L225 HydrophobicContact CB-CG 4.24Å; L225-Y227 HydrophobicContact CB-CD2 4.23Å; L225-Y227 HydrophobicContact CB-CE2 3.7Å; L225-Y227 HydrophobicContact CD2-CE1 4.45Å; L225-Y227 HydrophobicContact CD2-CE2 4.24Å; L225-Y227 WeakPolarHBondContact CD2-OH 3.25Å; L225-I358 WeakPolarHBondContact O-CA 3.38Å; L225-M359 PolarHBondContact N-O 3.09Å; L225-M359 VanDerWaalsContact N-O 3.09Å; L225-M359 PolarHBondContact O-N 2.66Å |
| 226 | M | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 118.1 | 163.6 | -171.2 | 165.6 | 178.2 | 0 | 0 | 109.7 | W171 G216 I217 Y219 F228 F268 I318 F356 A357 I358 | W171-M226 HydrophobicContact CH2-CB 3.75Å; W171-M226 HydrophobicContact CH2-CG 4.26Å; W171-M226 HydrophobicContact CH2-SD 3.59Å; W171-M226 VanDerWaalsContact CH2-SD 3.59Å; W171-M226 HydrophobicContact CZ2-SD 4.37Å; W171-M226 HydrophobicContact CZ3-CB 3.79Å; G216-M226 CarbonylContact C-O 3.44Å; G216-M226 WeakPolarHBondContact CA-O 3.42Å; I217-M226 PolarHBondContact N-O 3.04Å; I217-M226 PolarHBondContact O-N 3.4Å; Y219-M226 HydrophobicContact CE2-CB 3.82Å; M226-F228 HydrophobicContact CB-CE2 4.26Å; M226-F228 HydrophobicContact CE-CE1 3.58Å; M226-F228 HydrophobicContact CE-CE2 4.36Å; M226-F228 HydrophobicContact CE-CZ 3.48Å; M226-F228 VanDerWaalsContact CE-CZ 3.48Å; M226-F228 HydrophobicContact CG-CD2 4.48Å; M226-F228 HydrophobicContact CG-CE2 3.75Å; M226-F228 HydrophobicContact CG-CZ 3.8Å; M226-F228 HydrophobicContact SD-CE1 4.33Å; M226-F228 HydrophobicContact SD-CE2 4.13Å; M226-F228 HydrophobicContact SD-CZ 3.6Å; M226-F268 HydrophobicContact CE-CE2 4.45Å; M226-F268 HydrophobicContact CE-CZ 3.81Å; M226-I318 HydrophobicContact CE-CD1 3.86Å; M226-I318 HydrophobicContact CE-CG1 4Å; M226-I318 HydrophobicContact SD-CD1 3.4Å; M226-I318 WeakPolarHBondContact SD-CD1 3.47Å; M226-I318 HydrophobicContact SD-CG1 4.17Å; M226-F356 HydrophobicContact CE-CB 3.66Å; M226-F356 HydrophobicContact CE-CD2 3.56Å; M226-F356 HydrophobicContact CE-CE2 4.46Å; M226-F356 HydrophobicContact CE-CG 3.82Å; M226-A357 CarbonylContact C-O 3.38Å; M226-A357 WeakPolarHBondContact CA-O 3.49Å; M226-I358 HydrophobicContact CB-CG1 4.35Å; M226-I358 HydrophobicContact CG-CG1 4.22Å |
| 227 | Y | 98.5 | Very high | 94.1 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 144.7 | 173.2 | -70 | -84.9 | 0 | 0 | 0 | 111.4 | I214 L215 L225 F253 T256 F356 A357 M359 H361 | I214-Y227 HydrophobicContact CG2-CD1 4.33Å; L215-Y227 CarbonylContact O-C 3.55Å; L215-Y227 VanDerWaalsContact O-CA 3.24Å; L215-Y227 WeakPolarHBondContact O-CA 3.42Å; L225-Y227 HydrophobicContact CB-CD2 4.23Å; L225-Y227 HydrophobicContact CB-CE2 3.7Å; L225-Y227 HydrophobicContact CD2-CE1 4.45Å; L225-Y227 HydrophobicContact CD2-CE2 4.24Å; L225-Y227 WeakPolarHBondContact CD2-OH 3.25Å; Y227-F253 VanDerWaalsContact CB-CE1 3.45Å; Y227-F253 HydrophobicContact CD1-CB 4.08Å; Y227-F253 AromaticContact CD1-CD1 3.76Å; Y227-F253 HydrophobicContact CD1-CD1 3.76Å; Y227-F253 HydrophobicContact CD1-CE1 4.45Å; Y227-F253 HydrophobicContact CD1-CG 4.01Å; Y227-F253 HydrophobicContact CD2-CB 4.19Å; Y227-F253 HydrophobicContact CD2-CD1 4.11Å; Y227-F253 AromaticContact CD2-CD2 3.93Å; Y227-F253 HydrophobicContact CD2-CD2 3.93Å; Y227-F253 HydrophobicContact CD2-CE1 4.49Å; Y227-F253 HydrophobicContact CD2-CE2 4.32Å; Y227-F253 AromaticContact CD2-CG 3.82Å; Y227-F253 HydrophobicContact CD2-CG 3.82Å; Y227-F253 HydrophobicContact CE1-CB 3.86Å; Y227-F253 HydrophobicContact CE1-CD1 4.42Å; Y227-F253 HydrophobicContact CE1-CG 4.29Å; Y227-F253 HydrophobicContact CE2-CB 3.98Å; Y227-F253 HydrophobicContact CE2-CD2 4.3Å; Y227-F253 HydrophobicContact CE2-CG 4.12Å; Y227-F253 HydrophobicContact CG-CB 4.22Å; Y227-F253 AromaticContact CG-CD1 3.57Å; Y227-F253 HydrophobicContact CG-CD1 3.57Å; Y227-F253 HydrophobicContact CG-CD2 4.23Å; Y227-F253 AromaticContact CG-CE1 3.92Å; Y227-F253 HydrophobicContact CG-CE1 3.92Å; Y227-F253 AromaticContact CG-CG 3.75Å; Y227-F253 HydrophobicContact CG-CG 3.75Å; Y227-F253 HydrophobicContact CG-CZ 4.38Å; Y227-T256 HydrophobicContact CD1-CG2 4.45Å; Y227-T256 HydrophobicContact CE1-CG2 4.06Å; Y227-F356 CarbonylContact O-C 3.57Å; Y227-F356 WeakPolarHBondContact O-CA 3.18Å; Y227-A357 PolarHBondContact N-O 3.46Å; Y227-A357 PolarHBondContact O-N 2.97Å; Y227-M359 HydrophobicContact CD2-CB 3.98Å; Y227-M359 HydrophobicContact CE2-CB 3.84Å; Y227-M359 HydrophobicContact CE2-CG 4.46Å; Y227-H361 AromaticContact CE2-NE2 3.52Å; Y227-H361 AromaticContact CZ-NE2 3.74Å; Y227-H361 PolarHBondContact OH-CE1 3.3Å; Y227-H361 PolarHBondContact OH-NE2 3.17Å |
| 228 | F | 98.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.1 | 171.1 | -58 | -96.2 | 0 | 0 | 0 | 108.3 | I214 L215 I217 M226 I265 F348 F354 L355 F356 | I214-F228 WeakPolarHBondContact CA-O 3.32Å; L215-F228 HydrophobicContact CD2-CD2 4.49Å; L215-F228 PolarHBondContact N-O 3.23Å; L215-F228 PolarHBondContact O-N 3.1Å; I217-F228 HydrophobicContact CD1-CE2 4.02Å; I217-F228 HydrophobicContact CG1-CE2 4.24Å; M226-F228 HydrophobicContact CB-CE2 4.26Å; M226-F228 HydrophobicContact CE-CE1 3.58Å; M226-F228 HydrophobicContact CE-CE2 4.36Å; M226-F228 HydrophobicContact CE-CZ 3.48Å; M226-F228 VanDerWaalsContact CE-CZ 3.48Å; M226-F228 HydrophobicContact CG-CD2 4.48Å; M226-F228 HydrophobicContact CG-CE2 3.75Å; M226-F228 HydrophobicContact CG-CZ 3.8Å; M226-F228 HydrophobicContact SD-CE1 4.33Å; M226-F228 HydrophobicContact SD-CE2 4.13Å; M226-F228 HydrophobicContact SD-CZ 3.6Å; F228-I265 HydrophobicContact CD1-CD1 4.42Å; F228-I265 HydrophobicContact CD1-CG2 4.41Å; F228-I265 HydrophobicContact CD2-CD1 3.91Å; F228-I265 HydrophobicContact CE1-CD1 4.15Å; F228-I265 HydrophobicContact CE1-CG2 3.67Å; F228-I265 HydrophobicContact CE2-CD1 3.63Å; F228-I265 HydrophobicContact CG-CD1 4.31Å; F228-I265 HydrophobicContact CZ-CD1 3.76Å; F228-I265 HydrophobicContact CZ-CG2 3.9Å; F228-F348 HydrophobicContact CB-CE1 3.87Å; F228-F348 HydrophobicContact CB-CE2 4.49Å; F228-F348 HydrophobicContact CB-CZ 3.48Å; F228-F348 VanDerWaalsContact CB-CZ 3.48Å; F228-F348 HydrophobicContact CG-CE1 4.45Å; F228-F348 HydrophobicContact CG-CZ 4.5Å; F228-F354 AromaticContact CD1-CD2 3.97Å; F228-F354 HydrophobicContact CD1-CD2 3.97Å; F228-F354 AromaticContact CD1-CE2 3.68Å; F228-F354 HydrophobicContact CD1-CE2 3.68Å; F228-F354 HydrophobicContact CD1-CZ 4.43Å; F228-F354 HydrophobicContact CE1-CE2 4.02Å; F228-L355 CarbonylContact C-O 3.6Å; F228-L355 WeakPolarHBondContact CA-O 3.47Å; F228-F356 HydrophobicContact CD1-CB 4.03Å; F228-F356 HydrophobicContact CE1-CB 4.23Å |
| 229 | V | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 108.8 | 174.4 | -171.2 | 0 | 0 | 0 | 0 | 107.8 | Y212 Q213 I214 M240 L249 L252 F253 F354 L355 | Y212-V229 HydrophobicContact CG-CG1 4.29Å; Q213-V229 WeakPolarHBondContact O-CA 3.28Å; I214-V229 HydrophobicContact CG1-CG1 4.4Å; V229-M240 HydrophobicContact CB-CE 4.08Å; V229-M240 HydrophobicContact CB-SD 4.37Å; V229-M240 HydrophobicContact CG1-CE 3.91Å; V229-M240 HydrophobicContact CG1-SD 3.59Å; V229-M240 VanDerWaalsContact CG1-SD 3.59Å; V229-L249 HydrophobicContact CG2-CD1 4.31Å; V229-L252 HydrophobicContact CG1-CD1 4.26Å; V229-F253 HydrophobicContact CG2-CE1 3.74Å; V229-F354 WeakPolarHBondContact O-CB 3.22Å; V229-L355 HydrophobicContact CB-CB 4.31Å; V229-L355 HydrophobicContact CB-CD2 4.17Å; V229-L355 HydrophobicContact CG2-CD2 3.83Å; V229-L355 PolarHBondContact N-O 3.1Å; V229-L355 PolarHBondContact O-N 2.73Å |
| 230 | L | 98.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 118.3 | -174 | -176.8 | 69.1 | 0 | 0 | 0 | 109.6 | Y212 Q213 F348 I349 A350 H352 F354 | Y212-L230 CarbonylContact C-O 3.58Å; Y212-L230 VanDerWaalsContact CA-O 3.3Å; Y212-L230 WeakPolarHBondContact CA-O 3.18Å; Q213-L230 PolarHBondContact N-O 3.14Å; Q213-L230 PolarHBondContact O-N 2.92Å; L230-F348 HydrophobicContact CB-CD2 4.49Å; L230-F348 HydrophobicContact CB-CE1 4.48Å; L230-F348 HydrophobicContact CB-CE2 3.58Å; L230-F348 HydrophobicContact CB-CZ 3.57Å; L230-F348 HydrophobicContact CD2-CD2 4.39Å; L230-F348 HydrophobicContact CD2-CE1 4.43Å; L230-F348 HydrophobicContact CD2-CE2 4.18Å; L230-F348 HydrophobicContact CD2-CZ 4.19Å; L230-F348 HydrophobicContact CG-CZ 4.47Å; L230-I349 VanDerWaalsContact CD2-O 3.23Å; L230-I349 WeakPolarHBondContact CD2-O 3.4Å; L230-A350 HydrophobicContact CD1-CB 4.35Å; L230-H352 VanDerWaalsContact CD1-CE1 3.47Å; L230-H352 WeakPolarHBondContact CD1-CE1 3.26Å; L230-H352 WeakPolarHBondContact CD1-NE2 3.16Å; L230-F354 HydrophobicContact CD1-CB 3.81Å; L230-F354 HydrophobicContact CD1-CD1 4.48Å |
| 231 | P | 98.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.013 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 138.8 | 168.2 | -24.1 | 35.1 | 0 | 0 | 0 | 112.3 | E233 L237 M240 H352 P353 | P231-E233 VanDerWaalsContact C-N 3.27Å; P231-E233 VanDerWaalsContact CB-O 3.32Å; P231-E233 WeakPolarHBondContact CB-O 3.34Å; P231-L237 HydrophobicContact CG-CB 4.07Å; P231-L237 HydrophobicContact CG-CD1 4.31Å; P231-M240 HydrophobicContact CG-SD 3.93Å; P231-H352 PolarHBondContact O-CE1 2.84Å; P231-H352 PolarHBondContact O-NE2 3.19Å; P231-P353 WeakPolarHBondContact CD-O 3.4Å |
| 232 | K | 98.5 | Very high | 95.6 | Very high | 94 Ų | 94 | 48 Ų | 48 | 41% | 0.409 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -71.1 | -28.8 | 169.6 | -71.2 | -178.1 | 171.2 | -175.5 | 0 | 111.5 | E208 T209 E210 E211 Q213 | E208-K232 VanDerWaalsContact OE2-CE 3.25Å; E208-K232 WeakPolarHBondContact OE2-CE 3.15Å; E208-K232 IonicContact OE2-NZ 3.79Å; E208-K232 PolarHBondContact OE2-NZ 3.16Å; T209-K232 VanDerWaalsContact O-CE 3.24Å; T209-K232 WeakPolarHBondContact O-CE 3.4Å; T209-K232 PolarHBondContact O-NZ 2.86Å; E210-K232 WeakPolarHBondContact O-CD 2.79Å; E211-K232 PolarHBondContact O-N 3.02Å; Q213-K232 HydrophobicContact CG-CG 4.33Å |
| 233 | E | 97.8 | Very high | 96.5 | Very high | 126 Ų | 126 | 44.2 Ų | 44.2 | 59% | 0.589 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -83.2 | 122.1 | 170.3 | -175.2 | -170.2 | 169.8 | 0 | 0 | 110.3 | P231 F235 G236 | P231-E233 VanDerWaalsContact C-N 3.27Å; P231-E233 VanDerWaalsContact CB-O 3.32Å; P231-E233 WeakPolarHBondContact CB-O 3.34Å; E233-F235 PolarHBondContact O-N 2.83Å; E233-G236 PolarHBondContact O-N 3.1Å |
| 234 | R | 96.3 | Very high | 97.1 | Very high | 94 Ų | 94 | 41.2 Ų | 41.2 | 36% | 0.355 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -33.1 | -173.6 | -168.8 | 178.3 | -68 | -76.2 | 2.4 | 115 | D351 H352 | R234-D351 IonicContact CZ-OD2 2.68Å; R234-D351 VanDerWaalsContact NH1-CG 3.33Å; R234-D351 IonicContact NH1-OD1 3.5Å; R234-D351 PolarHBondContact NH1-OD1 3.29Å; R234-D351 IonicContact NH1-OD2 2.73Å; R234-D351 PolarHBondContact NH1-OD2 2.49Å; R234-D351 IonicContact NH2-OD2 3.81Å; R234-H352 HydrophobicContact CG-CB 3.69Å; R234-H352 WeakPolarHBondContact O-CB 3.4Å; R234-H352 PolarHBondContact O-CD2 3.32Å |
| 235 | F | 96.6 | Very high | 97.2 | Very high | 81 Ų | 81 | 43.1 Ų | 43.1 | 36% | 0.355 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 21.8 | 178.7 | -51.9 | -56.1 | 0 | 0 | 0 | 113 | K188 Q189 E233 L237 | K188-F235 VanDerWaalsContact CA-CE1 3.46Å; Q189-F235 HydrophobicContact CB-CD2 4.4Å; Q189-F235 HydrophobicContact CB-CE2 4.11Å; E233-F235 PolarHBondContact O-N 2.83Å; F235-L237 VanDerWaalsContact C-N 3.3Å; F235-L237 PolarHBondContact O-N 2.61Å |
| 236 | G | 97 | Very high | 97.2 | Very high | 5 Ų | 5 | 42 Ų | 42 | 5% | 0.052 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -6.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | E233 K238 N239 M240 | E233-G236 PolarHBondContact O-N 3.1Å; G236-K238 PolarHBondContact O-N 2.89Å; G236-N239 WeakPolarHBondContact O-CA 3.41Å; G236-N239 WeakPolarHBondContact O-CB 3.49Å; G236-N239 PolarHBondContact O-N 3.06Å; G236-M240 PolarHBondContact O-N 2.91Å |
| 237 | L | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.5 | -43.8 | -172.6 | -178.1 | 61.6 | 0 | 0 | 0 | 112.7 | P231 F235 N239 M240 M241 P353 L355 V371 Y373 | P231-L237 HydrophobicContact CG-CB 4.07Å; P231-L237 HydrophobicContact CG-CD1 4.31Å; F235-L237 VanDerWaalsContact C-N 3.3Å; F235-L237 PolarHBondContact O-N 2.61Å; L237-N239 PolarHBondContact O-N 2.96Å; L237-M240 HydrophobicContact CD1-CE 3.31Å; L237-M240 HydrophobicContact CD1-SD 4.34Å; L237-M240 WeakPolarHBondContact O-CB 3.4Å; L237-M240 PolarHBondContact O-N 3.46Å; L237-M241 HydrophobicContact CD1-CG 4.09Å; L237-M241 HydrophobicContact CD1-SD 4.33Å; L237-M241 HydrophobicContact CG-CG 4.27Å; L237-M241 VanDerWaalsContact O-CG 3.31Å; L237-M241 WeakPolarHBondContact O-CG 3.5Å; L237-M241 PolarHBondContact O-N 3.42Å; L237-P353 HydrophobicContact CB-CB 3.98Å; L237-P353 HydrophobicContact CD2-CB 3.48Å; L237-P353 VanDerWaalsContact CD2-CB 3.48Å; L237-P353 HydrophobicContact CG-CB 4.36Å; L237-L355 HydrophobicContact CD1-CB 4.37Å; L237-V371 HydrophobicContact CD1-CG1 4.36Å; L237-V371 HydrophobicContact CD2-CB 3.87Å; L237-V371 HydrophobicContact CD2-CG1 3.92Å; L237-V371 HydrophobicContact CG-CG1 4.47Å; L237-Y373 HydrophobicContact CD2-CD2 4.43Å; L237-Y373 HydrophobicContact CD2-CE1 4.49Å; L237-Y373 HydrophobicContact CD2-CE2 3.63Å |
| 238 | K | 95.6 | Very high | 97 | Very high | 123 Ų | 123 | 53.3 Ų | 53.3 | 54% | 0.535 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.6 | -36.9 | 178.2 | -169.5 | -174.4 | 178.1 | 178.2 | 0 | 111.5 | G236 R242 | G236-K238 PolarHBondContact O-N 2.89Å; K238-R242 WeakPolarHBondContact O-CG 3.21Å; K238-R242 PolarHBondContact O-N 2.87Å |
| 239 | N | 96.2 | Very high | 97 | Very high | 51 Ų | 51 | 53.2 Ų | 53.2 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -70.8 | -44.2 | 177.1 | -168.5 | 43 | 0 | 0 | 0 | 111.5 | G236 L237 M241 R242 K243 | G236-N239 WeakPolarHBondContact O-CA 3.41Å; G236-N239 WeakPolarHBondContact O-CB 3.49Å; G236-N239 PolarHBondContact O-N 3.06Å; L237-N239 PolarHBondContact O-N 2.96Å; N239-M241 PolarHBondContact O-N 2.76Å; N239-R242 PolarHBondContact O-N 3.29Å; N239-R242 PolarHBondContact OD1-NH2 3.22Å; N239-K243 WeakPolarHBondContact ND2-CE 3.4Å; N239-K243 WeakPolarHBondContact O-CG 3.48Å; N239-K243 PolarHBondContact O-N 3.16Å |
| 240 | M | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.2 | -52.1 | 173.6 | -178 | -179.8 | 96.5 | 0 | 0 | 111.1 | Y212 V229 P231 G236 L237 R242 K243 L244 L355 | Y212-M240 HydrophobicContact CD1-CB 4.38Å; Y212-M240 HydrophobicContact CD1-CG 3.87Å; Y212-M240 HydrophobicContact CD1-SD 3.55Å; Y212-M240 VanDerWaalsContact CD1-SD 3.55Å; Y212-M240 HydrophobicContact CE1-CB 3.59Å; Y212-M240 HydrophobicContact CE1-CG 3.37Å; Y212-M240 HydrophobicContact CE1-SD 3.71Å; Y212-M240 HydrophobicContact CE2-CG 4.32Å; Y212-M240 HydrophobicContact CG-SD 4.17Å; V229-M240 HydrophobicContact CB-CE 4.08Å; V229-M240 HydrophobicContact CB-SD 4.37Å; V229-M240 HydrophobicContact CG1-CE 3.91Å; V229-M240 HydrophobicContact CG1-SD 3.59Å; V229-M240 VanDerWaalsContact CG1-SD 3.59Å; P231-M240 HydrophobicContact CG-SD 3.93Å; G236-M240 PolarHBondContact O-N 2.91Å; L237-M240 HydrophobicContact CD1-CE 3.31Å; L237-M240 HydrophobicContact CD1-SD 4.34Å; L237-M240 WeakPolarHBondContact O-CB 3.4Å; L237-M240 PolarHBondContact O-N 3.46Å; M240-R242 VanDerWaalsContact C-N 3.25Å; M240-R242 PolarHBondContact O-N 2.97Å; M240-K243 PolarHBondContact O-N 2.99Å; M240-L244 HydrophobicContact CE-CD1 4.09Å; M240-L244 HydrophobicContact CG-CD1 3.97Å; M240-L244 HydrophobicContact CG-CG 4.24Å; M240-L244 WeakPolarHBondContact O-CG 3.4Å; M240-L244 PolarHBondContact O-N 2.99Å; M240-L244 VanDerWaalsContact O-N 3.1Å; M240-L355 HydrophobicContact CE-CB 3.49Å; M240-L355 VanDerWaalsContact CE-CB 3.49Å; M240-L355 HydrophobicContact CE-CD1 4.37Å |
| 241 | M | 97.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.6 | -33.3 | -178 | -67.6 | -53.7 | -68.3 | 0 | 0 | 113.1 | L12 Y15 H16 L237 N239 K243 L244 L355 V371 | L12-M241 HydrophobicContact CD2-CE 3.66Å; Y15-M241 HydrophobicContact CD1-CB 4.41Å; Y15-M241 HydrophobicContact CD1-CE 3.43Å; Y15-M241 VanDerWaalsContact CD1-CE 3.43Å; Y15-M241 HydrophobicContact CD2-CE 4.12Å; Y15-M241 HydrophobicContact CE1-CB 3.63Å; Y15-M241 HydrophobicContact CE1-CE 3.55Å; Y15-M241 HydrophobicContact CE1-CG 3.74Å; Y15-M241 HydrophobicContact CE1-SD 4.5Å; Y15-M241 HydrophobicContact CE2-CE 4.23Å; Y15-M241 HydrophobicContact CG-CE 3.74Å; H16-M241 PolarHBondContact CE1-O 3.29Å; H16-M241 VanDerWaalsContact CE1-O 3.25Å; H16-M241 PolarHBondContact NE2-O 3.01Å; L237-M241 HydrophobicContact CD1-CG 4.09Å; L237-M241 HydrophobicContact CD1-SD 4.33Å; L237-M241 HydrophobicContact CG-CG 4.27Å; L237-M241 VanDerWaalsContact O-CG 3.31Å; L237-M241 WeakPolarHBondContact O-CG 3.5Å; L237-M241 PolarHBondContact O-N 3.42Å; N239-M241 PolarHBondContact O-N 2.76Å; M241-K243 VanDerWaalsContact C-N 3.34Å; M241-L244 HydrophobicContact SD-CD1 4.03Å; M241-L355 HydrophobicContact CE-CD1 3.9Å; M241-L355 HydrophobicContact SD-CB 4.41Å; M241-L355 HydrophobicContact SD-CD1 3.51Å; M241-L355 VanDerWaalsContact SD-CD1 3.51Å; M241-V371 HydrophobicContact CE-CG1 4.32Å; M241-V371 HydrophobicContact CG-CG1 4.41Å; M241-V371 HydrophobicContact SD-CG1 4.1Å |
| 242 | R | 96.3 | Very high | 96.8 | Very high | 143 Ų | 143 | 58.2 Ų | 58.2 | 54% | 0.54 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.9 | -28.4 | 174.8 | -70.8 | -172.8 | -56.6 | -103.4 | 5.2 | 113.7 | K238 N239 M240 | K238-R242 WeakPolarHBondContact O-CG 3.21Å; K238-R242 PolarHBondContact O-N 2.87Å; N239-R242 PolarHBondContact O-N 3.29Å; N239-R242 PolarHBondContact OD1-NH2 3.22Å; M240-R242 VanDerWaalsContact C-N 3.25Å; M240-R242 PolarHBondContact O-N 2.97Å |
| 243 | K | 96 | Very high | 96.8 | Very high | 83 Ų | 83 | 53.8 Ų | 53.8 | 36% | 0.361 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -89 | -21.7 | -176.2 | -67.9 | 178.8 | -179.5 | -172 | 0 | 113.1 | E211 N239 M240 M241 K248 | E211-K243 IonicContact OE1-NZ 3.72Å; E211-K243 PolarHBondContact OE1-NZ 3.28Å; E211-K243 IonicContact OE2-NZ 3.07Å; N239-K243 WeakPolarHBondContact ND2-CE 3.4Å; N239-K243 WeakPolarHBondContact O-CG 3.48Å; N239-K243 PolarHBondContact O-N 3.16Å; M240-K243 PolarHBondContact O-N 2.99Å; M241-K243 VanDerWaalsContact C-N 3.34Å; K243-K248 WeakPolarHBondContact O-CD 3.45Å; K243-K248 PolarHBondContact O-NZ 3.33Å; K243-K248 VanDerWaalsContact O-NZ 3.1Å |
| 244 | L | 96.5 | Very high | 96.7 | Very high | 18 Ų | 18 | 52.6 Ų | 52.6 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | trans | -71.5 | 141.6 | -177.9 | -74.8 | 175.3 | 0 | 0 | 0 | 111.8 | L12 M240 M241 K248 L249 L252 L355 | L12-L244 HydrophobicContact CD1-CB 4.08Å; M240-L244 HydrophobicContact CE-CD1 4.09Å; M240-L244 HydrophobicContact CG-CD1 3.97Å; M240-L244 HydrophobicContact CG-CG 4.24Å; M240-L244 WeakPolarHBondContact O-CG 3.4Å; M240-L244 PolarHBondContact O-N 2.99Å; M240-L244 VanDerWaalsContact O-N 3.1Å; M241-L244 HydrophobicContact SD-CD1 4.03Å; L244-K248 HydrophobicContact CD2-CB 4.47Å; L244-L249 HydrophobicContact CD1-CD1 4.33Å; L244-L252 HydrophobicContact CD2-CD1 3.88Å; L244-L355 HydrophobicContact CD1-CD1 4.11Å | ||
| 245 | S | 95 | Very high | 96.8 | Very high | 44 Ų | 44 | 50.5 Ų | 50.5 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | trans | -123.2 | 165 | 161.3 | 69.4 | 0 | 0 | 0 | 0 | 107.9 | K247 K248 L249 | S245-K247 PolarHBondContact O-N 3.29Å; S245-K248 PolarHBondContact O-N 2.93Å; S245-K248 VanDerWaalsContact O-N 3.14Å; S245-K248 WeakPolarHBondContact OG-CG 2.9Å; S245-K248 PolarHBondContact OG-N 2.87Å; S245-L249 WeakPolarHBondContact O-CB 3.37Å; S245-L249 PolarHBondContact O-N 2.88Å | ||
| 246 | G | 95.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.5 | -40.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N9 L249 L250 | N9-G246 WeakPolarHBondContact OD1-CA 3.38Å; N9-G246 PolarHBondContact OD1-N 2.74Å; G246-L249 PolarHBondContact O-N 3.23Å; G246-L250 VanDerWaalsContact O-CG 3.25Å; G246-L250 WeakPolarHBondContact O-CG 3.24Å; G246-L250 PolarHBondContact O-N 2.98Å |
| 247 | K | 95.3 | Very high | 96.8 | Very high | 131 Ų | 131 | 51.8 Ų | 51.8 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.9 | -51.6 | 173.7 | -174 | -177.2 | 174.9 | -172.9 | 0 | 111.9 | S245 L249 L250 D251 | S245-K247 PolarHBondContact O-N 3.29Å; K247-L249 VanDerWaalsContact C-N 3.27Å; K247-L249 PolarHBondContact O-N 2.96Å; K247-L250 PolarHBondContact O-N 2.83Å; K247-L250 VanDerWaalsContact O-N 3.16Å; K247-D251 PolarHBondContact O-N 3.35Å |
| 248 | K | 96.6 | Very high | 96.8 | Very high | 115 Ų | 115 | 57.3 Ų | 57.3 | 50% | 0.5 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59 | -40.8 | 179.7 | -73.6 | -179.3 | -178.4 | -179.3 | 0 | 111.8 | K243 L244 S245 D251 L252 | K243-K248 WeakPolarHBondContact O-CD 3.45Å; K243-K248 PolarHBondContact O-NZ 3.33Å; K243-K248 VanDerWaalsContact O-NZ 3.1Å; L244-K248 HydrophobicContact CD2-CB 4.47Å; S245-K248 PolarHBondContact O-N 2.93Å; S245-K248 VanDerWaalsContact O-N 3.14Å; S245-K248 WeakPolarHBondContact OG-CG 2.9Å; S245-K248 PolarHBondContact OG-N 2.87Å; K248-D251 PolarHBondContact O-N 2.88Å; K248-L252 VanDerWaalsContact O-CG 3.31Å; K248-L252 WeakPolarHBondContact O-CG 3.2Å; K248-L252 PolarHBondContact O-N 3.32Å |
| 249 | L | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 177.7 | -178.3 | 65.9 | 0 | 0 | 0 | 111.6 | V229 L244 S245 G246 K247 L252 F253 L355 I369 | V229-L249 HydrophobicContact CG2-CD1 4.31Å; L244-L249 HydrophobicContact CD1-CD1 4.33Å; S245-L249 WeakPolarHBondContact O-CB 3.37Å; S245-L249 PolarHBondContact O-N 2.88Å; G246-L249 PolarHBondContact O-N 3.23Å; K247-L249 VanDerWaalsContact C-N 3.27Å; K247-L249 PolarHBondContact O-N 2.96Å; L249-L252 WeakPolarHBondContact O-CB 3.47Å; L249-L252 PolarHBondContact O-N 3.4Å; L249-F253 HydrophobicContact CD1-CE1 3.65Å; L249-F253 HydrophobicContact CD1-CE2 4.27Å; L249-F253 HydrophobicContact CD1-CZ 3.48Å; L249-F253 VanDerWaalsContact CD1-CZ 3.48Å; L249-F253 HydrophobicContact CD2-CE2 4.23Å; L249-F253 HydrophobicContact CD2-CZ 4.05Å; L249-F253 HydrophobicContact CG-CE1 4.12Å; L249-F253 HydrophobicContact CG-CE2 3.86Å; L249-F253 HydrophobicContact CG-CZ 3.59Å; L249-F253 WeakPolarHBondContact O-CD1 3.2Å; L249-F253 WeakPolarHBondContact O-CG 3.47Å; L249-F253 PolarHBondContact O-N 3.48Å; L249-F253 VanDerWaalsContact O-N 3.11Å; L249-L355 HydrophobicContact CD1-CD1 4.35Å; L249-L355 HydrophobicContact CD1-CD2 3.94Å; L249-I369 HydrophobicContact CD2-CD1 3.59Å |
| 250 | L | 97.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.1 | -38.4 | 177 | -65.2 | 168 | 0 | 0 | 0 | 111.9 | D4 V5 A8 G246 K247 L252 F253 N254 M359 V366 | D4-L250 HydrophobicContact CB-CD1 3.79Å; D4-L250 HydrophobicContact CB-CD2 4.08Å; V5-L250 HydrophobicContact CB-CD1 4.34Å; V5-L250 HydrophobicContact CG2-CD1 3.7Å; A8-L250 HydrophobicContact CB-CD1 4.35Å; A8-L250 HydrophobicContact CB-CG 4.39Å; G246-L250 VanDerWaalsContact O-CG 3.25Å; G246-L250 WeakPolarHBondContact O-CG 3.24Å; G246-L250 PolarHBondContact O-N 2.98Å; K247-L250 PolarHBondContact O-N 2.83Å; K247-L250 VanDerWaalsContact O-N 3.16Å; L250-L252 VanDerWaalsContact C-N 3.27Å; L250-L252 PolarHBondContact O-N 3.17Å; L250-F253 HydrophobicContact CD2-CD2 4.29Å; L250-F253 PolarHBondContact O-N 2.95Å; L250-F253 VanDerWaalsContact O-N 3.17Å; L250-N254 WeakPolarHBondContact O-CB 3.4Å; L250-N254 VanDerWaalsContact O-CG 3.24Å; L250-N254 PolarHBondContact O-N 3.49Å; L250-N254 PolarHBondContact O-ND2 3.07Å; L250-M359 HydrophobicContact CD2-CE 4.27Å; L250-M359 HydrophobicContact CD2-SD 4.19Å; L250-V366 HydrophobicContact CD2-CG2 4.38Å |
| 251 | D | 97.3 | Very high | 96.9 | Very high | 81 Ų | 81 | 60.8 Ų | 60.8 | 43% | 0.433 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 174.1 | -65.2 | -21.9 | 0 | 0 | 0 | 110.5 | K247 K248 N254 S255 | K247-D251 PolarHBondContact O-N 3.35Å; K248-D251 PolarHBondContact O-N 2.88Å; D251-N254 PolarHBondContact O-N 3.12Å; D251-S255 VanDerWaalsContact O-CB 3.27Å; D251-S255 WeakPolarHBondContact O-CB 3.32Å; D251-S255 PolarHBondContact O-N 3.03Å; D251-S255 PolarHBondContact O-OG 2.91Å |
| 252 | L | 97.9 | Very high | 96.9 | Very high | 22 Ų | 22 | 61.8 Ų | 61.8 | 12% | 0.115 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.2 | -48.3 | 172.9 | -69.6 | 177.6 | 0 | 0 | 0 | 111.6 | T209 Y212 I214 V229 L244 K248 L249 L250 N254 S255 | T209-L252 HydrophobicContact CG2-CD2 3.84Å; Y212-L252 HydrophobicContact CD2-CD1 4.4Å; I214-L252 HydrophobicContact CD1-CD2 4.16Å; I214-L252 HydrophobicContact CG1-CB 4.08Å; I214-L252 HydrophobicContact CG1-CD2 4.3Å; V229-L252 HydrophobicContact CG1-CD1 4.26Å; L244-L252 HydrophobicContact CD2-CD1 3.88Å; K248-L252 VanDerWaalsContact O-CG 3.31Å; K248-L252 WeakPolarHBondContact O-CG 3.2Å; K248-L252 PolarHBondContact O-N 3.32Å; L249-L252 WeakPolarHBondContact O-CB 3.47Å; L249-L252 PolarHBondContact O-N 3.4Å; L250-L252 VanDerWaalsContact C-N 3.27Å; L250-L252 PolarHBondContact O-N 3.17Å; L252-N254 PolarHBondContact O-N 3.32Å; L252-S255 PolarHBondContact O-N 3.45Å; L252-S255 PolarHBondContact O-OG 2.92Å |
| 253 | F | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -42 | 178.5 | -61.7 | -14.1 | 0 | 0 | 0 | 112.4 | I214 Y227 V229 L249 L250 S255 T256 L355 A357 | I214-F253 HydrophobicContact CG2-CD1 4.45Å; Y227-F253 VanDerWaalsContact CB-CE1 3.45Å; Y227-F253 HydrophobicContact CD1-CB 4.08Å; Y227-F253 AromaticContact CD1-CD1 3.76Å; Y227-F253 HydrophobicContact CD1-CD1 3.76Å; Y227-F253 HydrophobicContact CD1-CE1 4.45Å; Y227-F253 HydrophobicContact CD1-CG 4.01Å; Y227-F253 HydrophobicContact CD2-CB 4.19Å; Y227-F253 HydrophobicContact CD2-CD1 4.11Å; Y227-F253 AromaticContact CD2-CD2 3.93Å; Y227-F253 HydrophobicContact CD2-CD2 3.93Å; Y227-F253 HydrophobicContact CD2-CE1 4.49Å; Y227-F253 HydrophobicContact CD2-CE2 4.32Å; Y227-F253 AromaticContact CD2-CG 3.82Å; Y227-F253 HydrophobicContact CD2-CG 3.82Å; Y227-F253 HydrophobicContact CE1-CB 3.86Å; Y227-F253 HydrophobicContact CE1-CD1 4.42Å; Y227-F253 HydrophobicContact CE1-CG 4.29Å; Y227-F253 HydrophobicContact CE2-CB 3.98Å; Y227-F253 HydrophobicContact CE2-CD2 4.3Å; Y227-F253 HydrophobicContact CE2-CG 4.12Å; Y227-F253 HydrophobicContact CG-CB 4.22Å; Y227-F253 AromaticContact CG-CD1 3.57Å; Y227-F253 HydrophobicContact CG-CD1 3.57Å; Y227-F253 HydrophobicContact CG-CD2 4.23Å; Y227-F253 AromaticContact CG-CE1 3.92Å; Y227-F253 HydrophobicContact CG-CE1 3.92Å; Y227-F253 AromaticContact CG-CG 3.75Å; Y227-F253 HydrophobicContact CG-CG 3.75Å; Y227-F253 HydrophobicContact CG-CZ 4.38Å; V229-F253 HydrophobicContact CG2-CE1 3.74Å; L249-F253 HydrophobicContact CD1-CE1 3.65Å; L249-F253 HydrophobicContact CD1-CE2 4.27Å; L249-F253 HydrophobicContact CD1-CZ 3.48Å; L249-F253 VanDerWaalsContact CD1-CZ 3.48Å; L249-F253 HydrophobicContact CD2-CE2 4.23Å; L249-F253 HydrophobicContact CD2-CZ 4.05Å; L249-F253 HydrophobicContact CG-CE1 4.12Å; L249-F253 HydrophobicContact CG-CE2 3.86Å; L249-F253 HydrophobicContact CG-CZ 3.59Å; L249-F253 WeakPolarHBondContact O-CD1 3.2Å; L249-F253 WeakPolarHBondContact O-CG 3.47Å; L249-F253 PolarHBondContact O-N 3.48Å; L249-F253 VanDerWaalsContact O-N 3.11Å; L250-F253 HydrophobicContact CD2-CD2 4.29Å; L250-F253 PolarHBondContact O-N 2.95Å; L250-F253 VanDerWaalsContact O-N 3.17Å; F253-S255 VanDerWaalsContact C-N 3.27Å; F253-S255 PolarHBondContact O-N 3.27Å; F253-T256 PolarHBondContact O-N 2.77Å; F253-T256 PolarHBondContact O-OG1 2.98Å; F253-L355 HydrophobicContact CZ-CD2 4.43Å; F253-A357 HydrophobicContact CE2-CB 3.97Å; F253-A357 HydrophobicContact CZ-CB 3.68Å |
| 254 | N | 96.3 | Very high | 97.1 | Very high | 100 Ų | 100 | 52.1 Ų | 52.1 | 54% | 0.535 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -75.6 | -16.3 | -178.2 | -67.6 | -25 | 0 | 0 | 0 | 113.1 | L250 D251 L252 T256 | L250-N254 WeakPolarHBondContact O-CB 3.4Å; L250-N254 VanDerWaalsContact O-CG 3.24Å; L250-N254 PolarHBondContact O-N 3.49Å; L250-N254 PolarHBondContact O-ND2 3.07Å; D251-N254 PolarHBondContact O-N 3.12Å; L252-N254 PolarHBondContact O-N 3.32Å; N254-T256 VanDerWaalsContact C-N 3.33Å |
| 255 | S | 97.2 | Very high | 97.2 | Very high | 51 Ų | 51 | 51.3 Ų | 51.3 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -5.9 | 177.3 | 70.2 | 0 | 0 | 0 | 0 | 114.2 | T207 D251 L252 F253 | T207-S255 VanDerWaalsContact CG2-OG 3.31Å; T207-S255 WeakPolarHBondContact CG2-OG 3.44Å; D251-S255 VanDerWaalsContact O-CB 3.27Å; D251-S255 WeakPolarHBondContact O-CB 3.32Å; D251-S255 PolarHBondContact O-N 3.03Å; D251-S255 PolarHBondContact O-OG 2.91Å; L252-S255 PolarHBondContact O-N 3.45Å; L252-S255 PolarHBondContact O-OG 2.92Å; F253-S255 VanDerWaalsContact C-N 3.27Å; F253-S255 PolarHBondContact O-N 3.27Å |
| 256 | T | 98.3 | Very high | 97.2 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 12% | 0.117 | 24% | 0.235 | C | C | . | . | trans | -70.3 | 138.8 | 176.7 | 61.2 | 0 | 0 | 0 | 0 | 111.4 | P205 T207 I214 Y227 F253 N254 | P205-T256 WeakPolarHBondContact CB-OG1 3.48Å; T207-T256 HydrophobicContact CG2-CG2 4.12Å; I214-T256 HydrophobicContact CB-CG2 4.14Å; I214-T256 HydrophobicContact CG2-CG2 3.53Å; Y227-T256 HydrophobicContact CD1-CG2 4.45Å; Y227-T256 HydrophobicContact CE1-CG2 4.06Å; F253-T256 PolarHBondContact O-N 2.77Å; F253-T256 PolarHBondContact O-OG1 2.98Å; N254-T256 VanDerWaalsContact C-N 3.33Å | ||
| 257 | I | 97.1 | Very high | 97.1 | Very high | 94 Ų | 94 | 51.5 Ų | 51.5 | 48% | 0.482 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 151.5 | 171.2 | 61 | 167 | 0 | 0 | 0 | 110.2 | Y206 R259 | Y206-I257 PolarHBondContact N-O 3.28Å; Y206-I257 PolarHBondContact O-N 3.23Å; Y206-I257 VanDerWaalsContact O-O 3.13Å; I257-R259 HydrophobicContact CG1-CG 4.14Å; I257-R259 PolarHBondContact O-N 2.84Å |
| 258 | E | 97 | Very high | 97 | Very high | 117 Ų | 117 | 46.1 Ų | 46.1 | 55% | 0.547 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 120.6 | 178.3 | -70.4 | -66.3 | 167.2 | 0 | 0 | 111 | F204 P205 | F204-E258 WeakPolarHBondContact CA-OE2 3.31Å; F204-E258 PolarHBondContact N-OE2 3.37Å; P205-E258 VanDerWaalsContact CD-OE1 3.22Å; P205-E258 WeakPolarHBondContact CD-OE1 3.41Å; P205-E258 WeakPolarHBondContact CD-OE2 3.25Å; P205-E258 WeakPolarHBondContact CG-OE1 3.27Å |
| 259 | R | 95.7 | Very high | 96.6 | Very high | 121 Ų | 121 | 45.2 Ų | 45.2 | 46% | 0.457 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 149.9 | 176.6 | -67.7 | -179.9 | 174 | -171.1 | 2.3 | 109.6 | E203 F204 I257 V261 | E203-R259 VanDerWaalsContact CA-O 3.28Å; E203-R259 WeakPolarHBondContact CA-O 3.38Å; F204-R259 PolarHBondContact N-O 3.14Å; F204-R259 PolarHBondContact O-N 2.99Å; I257-R259 HydrophobicContact CG1-CG 4.14Å; I257-R259 PolarHBondContact O-N 2.84Å; R259-V261 HydrophobicContact CB-CG2 4.43Å; R259-V261 WeakPolarHBondContact O-CG2 3.43Å; R259-V261 PolarHBondContact O-N 2.88Å |
| 260 | K | 97.2 | Very high | 96 | Very high | 126 Ų | 126 | 45.8 Ų | 45.8 | 55% | 0.548 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 119.3 | 168.9 | -169.8 | 174.1 | -175 | 171.1 | 0 | 109.4 | K202 E203 P345 P346 | K202-K260 CarbonylContact O-C 3.59Å; K202-K260 WeakPolarHBondContact O-CA 3.48Å; E203-K260 HydrophobicContact CG-CB 4.23Å; K260-P345 HydrophobicContact CB-CB 4.4Å; K260-P345 HydrophobicContact CG-CB 4.13Å; K260-P345 WeakPolarHBondContact O-CB 3.3Å; K260-P346 WeakPolarHBondContact O-CD 3.38Å |
| 261 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 142.7 | -179.5 | -170 | 0 | 0 | 0 | 0 | 109.5 | K201 K202 Y206 R259 V263 P346 F348 | K201-V261 WeakPolarHBondContact CA-O 3.47Å; K202-V261 PolarHBondContact N-O 2.66Å; K202-V261 VanDerWaalsContact N-O 3.15Å; K202-V261 PolarHBondContact O-N 2.94Å; Y206-V261 HydrophobicContact CD1-CG2 4.06Å; Y206-V261 HydrophobicContact CD2-CG1 4.13Å; Y206-V261 HydrophobicContact CD2-CG2 3.77Å; Y206-V261 HydrophobicContact CE2-CG1 4.13Å; Y206-V261 HydrophobicContact CE2-CG2 4.43Å; Y206-V261 HydrophobicContact CG-CG2 3.53Å; R259-V261 HydrophobicContact CB-CG2 4.43Å; R259-V261 WeakPolarHBondContact O-CG2 3.43Å; R259-V261 PolarHBondContact O-N 2.88Å; V261-V263 HydrophobicContact CB-CG2 4.01Å; V261-V263 HydrophobicContact CG1-CG2 3.86Å; V261-P346 HydrophobicContact CG1-CG 4.5Å; V261-P346 WeakPolarHBondContact CG1-O 3.14Å; V261-P346 HydrophobicContact CG2-CG 4.23Å; V261-F348 HydrophobicContact CG1-CB 3.92Å |
| 262 | E | 98.1 | Very high | 95.2 | Very high | 25 Ų | 25 | 48 Ų | 48 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 110.2 | 162.3 | 177.7 | 177.7 | 154.4 | 0 | 0 | 108.5 | K201 H264 P346 K347 F348 | K201-E262 HydrophobicContact CD-CB 4.47Å; K201-E262 HydrophobicContact CD-CG 4.44Å; K201-E262 WeakPolarHBondContact CE-OE2 3.46Å; K201-E262 HydrophobicContact CG-CB 4.01Å; K201-E262 HydrophobicContact CG-CG 4.03Å; K201-E262 IonicContact NZ-OE2 2.76Å; K201-E262 PolarHBondContact NZ-OE2 2.72Å; E262-H264 WeakPolarHBondContact CG-NE2 3.34Å; E262-H264 IonicContact OE1-CD2 2.68Å; E262-H264 IonicContact OE1-CE1 3.81Å; E262-H264 IonicContact OE1-NE2 2.93Å; E262-H264 PolarHBondContact OE1-NE2 2.9Å; E262-P346 PolarHBondContact N-O 3.15Å; E262-K347 HydrophobicContact CB-CG 4.17Å; E262-K347 HydrophobicContact CG-CG 4.44Å; E262-K347 CarbonylContact O-C 3.6Å; E262-K347 WeakPolarHBondContact O-CA 3.34Å; E262-F348 PolarHBondContact O-N 2.83Å |
| 263 | V | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 132 | -171.7 | 176.3 | 0 | 0 | 0 | 0 | 109.8 | F175 Q199 M200 F204 L215 I217 V261 I265 | F175-V263 HydrophobicContact CE1-CG1 4.23Å; F175-V263 HydrophobicContact CZ-CG1 4.27Å; Q199-V263 CarbonylContact C-O 3.58Å; Q199-V263 WeakPolarHBondContact CA-O 3.43Å; M200-V263 PolarHBondContact N-O 2.96Å; M200-V263 PolarHBondContact O-N 3.31Å; F204-V263 HydrophobicContact CD2-CG2 3.89Å; F204-V263 HydrophobicContact CE2-CG2 4.22Å; L215-V263 HydrophobicContact CD1-CG2 4.01Å; L215-V263 HydrophobicContact CD2-CB 4.26Å; L215-V263 HydrophobicContact CD2-CG1 3.55Å; L215-V263 HydrophobicContact CD2-CG2 3.69Å; I217-V263 HydrophobicContact CD1-CG1 4.3Å; V261-V263 HydrophobicContact CB-CG2 4.01Å; V261-V263 HydrophobicContact CG1-CG2 3.86Å; V263-I265 HydrophobicContact CG1-CD1 3.43Å; V263-I265 VanDerWaalsContact CG1-CD1 3.43Å; V263-I265 HydrophobicContact CG1-CG1 3.65Å |
| 264 | H | 98.6 | Very high | 94.7 | Very high | 24 Ų | 24 | 52.4 Ų | 52.4 | 11% | 0.111 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 114.7 | 170.3 | -61.6 | -114.1 | 0 | 0 | 0 | 108.8 | M197 M198 Q199 E262 F348 I349 A350 | M197-H264 HydrophobicContact CG-CB 3.85Å; M197-H264 HydrophobicContact SD-CB 3.94Å; M198-H264 CarbonylContact O-C 3.49Å; M198-H264 VanDerWaalsContact O-CA 3.27Å; M198-H264 WeakPolarHBondContact O-CA 3.37Å; Q199-H264 PolarHBondContact OE1-CE1 3.4Å; Q199-H264 VanDerWaalsContact OE1-CE1 3.27Å; E262-H264 WeakPolarHBondContact CG-NE2 3.34Å; E262-H264 IonicContact OE1-CD2 2.68Å; E262-H264 IonicContact OE1-CE1 3.81Å; E262-H264 IonicContact OE1-NE2 2.93Å; E262-H264 PolarHBondContact OE1-NE2 2.9Å; H264-F348 PolarHBondContact N-O 2.98Å; H264-I349 HydrophobicContact CB-CB 4.5Å; H264-I349 HydrophobicContact CB-CG1 4.36Å; H264-I349 HydrophobicContact CB-CG2 4.32Å; H264-A350 WeakPolarHBondContact O-CB 3.41Å; H264-A350 PolarHBondContact O-N 3.33Å |
| 265 | I | 97.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 133.3 | -176.1 | -64.6 | 168.7 | 0 | 0 | 0 | 110.1 | F175 M197 M198 L215 I217 F228 V263 F348 | F175-I265 HydrophobicContact CZ-CD1 4.42Å; M197-I265 PolarHBondContact SD-N 3.41Å; M197-I265 VanDerWaalsContact SD-N 3.36Å; M198-I265 WeakPolarHBondContact CB-O 3.44Å; M198-I265 HydrophobicContact CE-CB 4.4Å; M198-I265 HydrophobicContact CE-CG2 4.22Å; M198-I265 PolarHBondContact N-O 3.35Å; M198-I265 PolarHBondContact O-N 3.11Å; L215-I265 HydrophobicContact CD2-CD1 3.85Å; I217-I265 HydrophobicContact CD1-CD1 3.43Å; I217-I265 VanDerWaalsContact CD1-CD1 3.43Å; F228-I265 HydrophobicContact CD1-CD1 4.42Å; F228-I265 HydrophobicContact CD1-CG2 4.41Å; F228-I265 HydrophobicContact CD2-CD1 3.91Å; F228-I265 HydrophobicContact CE1-CD1 4.15Å; F228-I265 HydrophobicContact CE1-CG2 3.67Å; F228-I265 HydrophobicContact CE2-CD1 3.63Å; F228-I265 HydrophobicContact CG-CD1 4.31Å; F228-I265 HydrophobicContact CZ-CD1 3.76Å; F228-I265 HydrophobicContact CZ-CG2 3.9Å; V263-I265 HydrophobicContact CG1-CD1 3.43Å; V263-I265 VanDerWaalsContact CG1-CD1 3.43Å; V263-I265 HydrophobicContact CG1-CG1 3.65Å; I265-F348 HydrophobicContact CG1-CD1 4.47Å; I265-F348 HydrophobicContact CG1-CE1 4.38Å |
| 266 | P | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 144.6 | 175.3 | -23.3 | 33.8 | 0 | 0 | 0 | 112.6 | F185 V195 E196 M197 F268 A350 F354 Y372 | F185-P266 HydrophobicContact CD2-CG 4.09Å; F185-P266 HydrophobicContact CE2-CG 4.24Å; V195-P266 HydrophobicContact CB-CB 4.4Å; V195-P266 HydrophobicContact CG2-CB 4.05Å; V195-P266 HydrophobicContact CG2-CG 4.14Å; E196-P266 CarbonylContact O-C 3.59Å; E196-P266 WeakPolarHBondContact O-CA 3.31Å; M197-P266 HydrophobicContact CE-CG 3.98Å; M197-P266 HydrophobicContact SD-CG 4.01Å; M197-P266 VanDerWaalsContact SD-N 3.44Å; P266-F268 HydrophobicContact CB-CD1 4.4Å; P266-F268 WeakPolarHBondContact O-CD1 3.29Å; P266-A350 WeakPolarHBondContact CD-O 2.97Å; P266-A350 WeakPolarHBondContact CG-O 3.45Å; P266-F354 HydrophobicContact CG-CE1 4.14Å; P266-Y372 HydrophobicContact CB-CE1 3.88Å; P266-Y372 HydrophobicContact CG-CD1 4.44Å; P266-Y372 HydrophobicContact CG-CE1 3.8Å |
| 267 | K | 93.1 | Very high | 94.5 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 21% | 0.209 | 24% | 0.235 | C | C | . | . | trans | -72 | 136.4 | 159.4 | -64.2 | 171.2 | 66.5 | 174.2 | 0 | 108.5 | T180 E196 M198 I318 E320 | T180-K267 HydrophobicContact CG2-CD 3.86Å; E196-K267 HydrophobicContact CB-CB 4.24Å; E196-K267 HydrophobicContact CB-CD 3.76Å; E196-K267 HydrophobicContact CB-CG 4.26Å; E196-K267 PolarHBondContact O-N 3.26Å; E196-K267 IonicContact OE1-NZ 3.96Å; E196-K267 PolarHBondContact OE1-NZ 3.41Å; E196-K267 IonicContact OE2-NZ 2.75Å; M198-K267 HydrophobicContact CE-CG 4.36Å; M198-K267 HydrophobicContact CG-CD 3.97Å; M198-K267 HydrophobicContact CG-CG 3.35Å; M198-K267 HydrophobicContact SD-CD 4.43Å; M198-K267 HydrophobicContact SD-CG 3.62Å; K267-I318 WeakPolarHBondContact CA-O 3.38Å; K267-E320 VanDerWaalsContact CD-OE1 3.3Å; K267-E320 WeakPolarHBondContact CD-OE1 3.48Å; K267-E320 WeakPolarHBondContact CD-OE2 3.4Å; K267-E320 WeakPolarHBondContact CE-OE1 3.38Å; K267-E320 WeakPolarHBondContact CE-OE2 3.45Å; K267-E320 VanDerWaalsContact NZ-CD 3.35Å; K267-E320 IonicContact NZ-OE1 2.92Å; K267-E320 PolarHBondContact NZ-OE1 3.22Å; K267-E320 IonicContact NZ-OE2 2.97Å; K267-E320 PolarHBondContact NZ-OE2 2.88Å | ||
| 268 | F | 91.7 | Very high | 94.4 | Very high | 18 Ų | 18 | 56.4 Ų | 56.4 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 158.3 | 174.9 | 57.8 | -96.9 | 0 | 0 | 0 | 111.9 | M226 P266 F270 I318 F354 F356 Y372 | M226-F268 HydrophobicContact CE-CE2 4.45Å; M226-F268 HydrophobicContact CE-CZ 3.81Å; P266-F268 HydrophobicContact CB-CD1 4.4Å; P266-F268 WeakPolarHBondContact O-CD1 3.29Å; F268-F270 AromaticContact CD2-CD2 3.51Å; F268-F270 HydrophobicContact CD2-CD2 3.51Å; F268-F270 AromaticContact CD2-CE2 3.34Å; F268-F270 HydrophobicContact CD2-CE2 3.34Å; F268-F270 HydrophobicContact CD2-CZ 4.44Å; F268-F270 AromaticContact CE2-CD2 3.7Å; F268-F270 HydrophobicContact CE2-CD2 3.7Å; F268-F270 AromaticContact CE2-CE2 3.48Å; F268-F270 HydrophobicContact CE2-CE2 3.48Å; F268-F270 VanDerWaalsContact CE2-CE2 3.48Å; F268-F270 HydrophobicContact CG-CE2 4.23Å; F268-F270 HydrophobicContact CZ-CE2 4.46Å; F268-I318 HydrophobicContact CD1-CB 4.33Å; F268-I318 HydrophobicContact CD1-CG2 4.47Å; F268-I318 HydrophobicContact CD2-CB 4.14Å; F268-I318 HydrophobicContact CD2-CG1 3.97Å; F268-I318 HydrophobicContact CE1-CB 4.2Å; F268-I318 HydrophobicContact CE1-CG1 4.25Å; F268-I318 HydrophobicContact CE1-CG2 4.15Å; F268-I318 HydrophobicContact CE2-CB 4.02Å; F268-I318 HydrophobicContact CE2-CG1 3.44Å; F268-I318 VanDerWaalsContact CE2-CG1 3.44Å; F268-I318 HydrophobicContact CG-CB 4.31Å; F268-I318 HydrophobicContact CZ-CB 4.08Å; F268-I318 HydrophobicContact CZ-CG1 3.62Å; F268-I318 HydrophobicContact CZ-CG2 4.33Å; F268-I318 PolarHBondContact N-O 3.17Å; F268-I318 WeakPolarHBondContact O-CA 3.38Å; F268-I318 WeakPolarHBondContact O-CB 3.32Å; F268-I318 PolarHBondContact O-N 2.82Å; F268-F354 HydrophobicContact CE1-CE2 4.28Å; F268-F354 AromaticContact CE1-CZ 3.97Å; F268-F354 HydrophobicContact CE1-CZ 3.97Å; F268-F356 HydrophobicContact CE2-CE1 4.32Å; F268-F356 HydrophobicContact CE2-CE2 4.27Å; F268-F356 HydrophobicContact CE2-CZ 4.14Å; F268-F356 HydrophobicContact CZ-CD1 4.26Å; F268-F356 HydrophobicContact CZ-CD2 4.49Å; F268-F356 HydrophobicContact CZ-CE1 4.39Å; F268-F356 HydrophobicContact CZ-CG 4.31Å; F268-Y372 HydrophobicContact CB-CD2 4.13Å; F268-Y372 HydrophobicContact CB-CE2 3.53Å; F268-Y372 HydrophobicContact CD1-CD2 4.05Å; F268-Y372 HydrophobicContact CD1-CE2 4Å; F268-Y372 HydrophobicContact CD2-CD2 4.49Å; F268-Y372 AromaticContact CG-CD2 3.99Å; F268-Y372 HydrophobicContact CG-CD2 3.99Å; F268-Y372 AromaticContact CG-CE2 3.86Å; F268-Y372 HydrophobicContact CG-CE2 3.86Å |
| 269 | K | 88.7 | Confident | 94.4 | Very high | 96 Ų | 96 | 51.4 Ų | 51.4 | 42% | 0.417 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 130.9 | 176.8 | 176.4 | 179.5 | 166.7 | 169.6 | 0 | 107.8 | F315 I316 E317 | K269-F315 HydrophobicContact CD-CE2 4.3Å; K269-F315 HydrophobicContact CD-CZ 4.1Å; K269-F315 HydrophobicContact CG-CE2 4.31Å; K269-F315 HydrophobicContact CG-CZ 4.14Å; K269-I316 WeakPolarHBondContact CA-O 3.43Å; K269-E317 HydrophobicContact CB-CG 4.36Å; K269-E317 HydrophobicContact CG-CB 4.45Å; K269-E317 HydrophobicContact CG-CG 4.43Å |
| 270 | F | 84.9 | Confident | 94.6 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.2 | 173.7 | -76.4 | -73.4 | 0 | 0 | 0 | 109.8 | F26 F268 F315 I316 F356 Y372 | F26-F270 HydrophobicContact CB-CB 4.23Å; F26-F270 HydrophobicContact CB-CD1 4.06Å; F26-F270 HydrophobicContact CB-CD2 4.43Å; F26-F270 HydrophobicContact CB-CG 3.99Å; F26-F270 HydrophobicContact CD1-CB 3.85Å; F26-F270 HydrophobicContact CD1-CG 4.46Å; F26-F270 HydrophobicContact CE1-CB 4.39Å; F26-F270 HydrophobicContact CG-CB 4.06Å; F26-F270 HydrophobicContact CG-CD2 4.47Å; F26-F270 HydrophobicContact CG-CG 4.18Å; F268-F270 AromaticContact CD2-CD2 3.51Å; F268-F270 HydrophobicContact CD2-CD2 3.51Å; F268-F270 AromaticContact CD2-CE2 3.34Å; F268-F270 HydrophobicContact CD2-CE2 3.34Å; F268-F270 HydrophobicContact CD2-CZ 4.44Å; F268-F270 AromaticContact CE2-CD2 3.7Å; F268-F270 HydrophobicContact CE2-CD2 3.7Å; F268-F270 AromaticContact CE2-CE2 3.48Å; F268-F270 HydrophobicContact CE2-CE2 3.48Å; F268-F270 VanDerWaalsContact CE2-CE2 3.48Å; F268-F270 HydrophobicContact CG-CE2 4.23Å; F268-F270 HydrophobicContact CZ-CE2 4.46Å; F270-F315 VanDerWaalsContact O-CA 3.28Å; F270-F315 WeakPolarHBondContact O-CA 3.3Å; F270-I316 HydrophobicContact CB-CG2 3.69Å; F270-I316 HydrophobicContact CD2-CG2 3.97Å; F270-I316 HydrophobicContact CG-CG2 4.3Å; F270-I316 PolarHBondContact N-O 3.21Å; F270-I316 PolarHBondContact O-N 2.85Å; F270-F356 HydrophobicContact CD2-CE1 4.39Å; F270-F356 HydrophobicContact CD2-CE2 4.41Å; F270-F356 AromaticContact CD2-CZ 3.67Å; F270-F356 HydrophobicContact CD2-CZ 3.67Å; F270-F356 AromaticContact CE2-CE1 3.53Å; F270-F356 HydrophobicContact CE2-CE1 3.53Å; F270-F356 HydrophobicContact CE2-CE2 4.3Å; F270-F356 AromaticContact CE2-CZ 3.26Å; F270-F356 HydrophobicContact CE2-CZ 3.26Å; F270-F356 HydrophobicContact CZ-CE1 4.03Å; F270-F356 HydrophobicContact CZ-CZ 4.02Å; F270-Y372 HydrophobicContact CE2-CD2 4.17Å; F270-Y372 AromaticContact CZ-CD2 3.87Å; F270-Y372 HydrophobicContact CZ-CD2 3.87Å |
| 271 | E | 89 | Confident | 94.6 | Very high | 98 Ų | 98 | 43.2 Ų | 43.2 | 46% | 0.458 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 110.1 | 156.4 | -176.9 | 170.5 | 177.5 | 0 | 0 | 105.2 | K313 F315 | E271-K313 WeakPolarHBondContact OE1-CE 3.45Å; E271-K313 IonicContact OE1-NZ 3.46Å; E271-K313 PolarHBondContact OE1-NZ 2.84Å; E271-F315 HydrophobicContact CB-CD2 4.28Å |
| 272 | Y | 90.9 | Very high | 94.6 | Very high | 37 Ų | 37 | 51 Ų | 51 | 15% | 0.145 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 127.9 | -169.5 | -158.1 | -91.4 | 0 | 0 | 0 | 111 | F25 F26 L274 K313 A314 | F25-Y272 AromaticContact CD2-CE1 3.73Å; F25-Y272 HydrophobicContact CD2-CE1 3.73Å; F25-Y272 AromaticContact CD2-CZ 3.67Å; F25-Y272 VanDerWaalsContact CD2-OH 3.31Å; F25-Y272 WeakPolarHBondContact CD2-OH 3.32Å; F25-Y272 AromaticContact CE2-CE1 3.88Å; F25-Y272 HydrophobicContact CE2-CE1 3.88Å; F25-Y272 HydrophobicContact CG-CE1 4.49Å; F26-Y272 HydrophobicContact CB-CG 4.27Å; F26-Y272 WeakPolarHBondContact O-CD1 3.22Å; Y272-L274 HydrophobicContact CD1-CD2 4.37Å; Y272-L274 HydrophobicContact CD1-CG 3.99Å; Y272-L274 HydrophobicContact CE1-CD1 4.22Å; Y272-L274 HydrophobicContact CE1-CD2 3.59Å; Y272-L274 HydrophobicContact CE1-CG 3.68Å; Y272-K313 WeakPolarHBondContact O-CA 3.45Å; Y272-A314 PolarHBondContact N-O 3.48Å; Y272-A314 PolarHBondContact O-N 2.93Å |
| 273 | E | 92.4 | Very high | 94.5 | Very high | 99 Ų | 99 | 50.6 Ų | 50.6 | 46% | 0.463 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 136 | -175.7 | -68.2 | 179.1 | -166.9 | 0 | 0 | 110.9 | H312 K313 | E273-H312 CarbonylContact C-O 3.55Å; E273-H312 WeakPolarHBondContact CA-O 3.24Å; E273-K313 HydrophobicContact CG-CB 4.28Å; E273-K313 HydrophobicContact CG-CD 3.58Å; E273-K313 HydrophobicContact CG-CG 3.72Å; E273-K313 WeakPolarHBondContact OE1-CD 3.43Å; E273-K313 WeakPolarHBondContact OE1-CE 3.41Å; E273-K313 IonicContact OE1-NZ 3.35Å; E273-K313 PolarHBondContact OE1-NZ 2.82Å |
| 274 | L | 92.6 | Very high | 94.5 | Very high | 16 Ų | 16 | 51.8 Ų | 51.8 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 126.4 | 175.3 | -75.2 | -177.3 | 0 | 0 | 0 | 111.9 | A18 F25 I27 Y272 L276 I279 H312 | A18-L274 HydrophobicContact CB-CD2 4.37Å; F25-L274 HydrophobicContact CE2-CD1 3.96Å; F25-L274 HydrophobicContact CE2-CD2 4.29Å; F25-L274 HydrophobicContact CZ-CD1 3.99Å; I27-L274 HydrophobicContact CG2-CD1 3.25Å; I27-L274 HydrophobicContact CG2-CG 4.36Å; Y272-L274 HydrophobicContact CD1-CD2 4.37Å; Y272-L274 HydrophobicContact CD1-CG 3.99Å; Y272-L274 HydrophobicContact CE1-CD1 4.22Å; Y272-L274 HydrophobicContact CE1-CD2 3.59Å; Y272-L274 HydrophobicContact CE1-CG 3.68Å; L274-L276 HydrophobicContact CB-CD2 4.12Å; L274-L276 PolarHBondContact O-N 2.94Å; L274-I279 HydrophobicContact CB-CD1 4.38Å; L274-I279 HydrophobicContact CD1-CD1 4.19Å; L274-I279 HydrophobicContact CD2-CD1 3.9Å; L274-I279 HydrophobicContact CG-CD1 4.42Å; L274-H312 HydrophobicContact CB-CB 4.28Å; L274-H312 PolarHBondContact N-O 2.93Å; L274-H312 PolarHBondContact O-N 2.95Å |
| 275 | Q | 93.8 | Very high | 94.4 | Very high | 107 Ų | 107 | 50.6 Ų | 50.6 | 50% | 0.5 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 99.4 | 161 | -62 | -170.8 | 15.2 | 0 | 0 | 109.1 | K277 F311 | Q275-K277 VanDerWaalsContact C-N 3.26Å; Q275-K277 PolarHBondContact O-N 3.03Å; Q275-F311 HydrophobicContact CG-CD1 4.04Å; Q275-F311 HydrophobicContact CG-CE1 3.81Å |
| 276 | L | 96.7 | Very high | 94.5 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.5 | -23.4 | -170.8 | -63.1 | 177 | 0 | 0 | 0 | 113.3 | I32 L274 R278 I279 L280 A310 H312 | I32-L276 HydrophobicContact CD1-CD2 4.1Å; I32-L276 HydrophobicContact CG1-CD1 4.41Å; I32-L276 HydrophobicContact CG1-CD2 4.46Å; I32-L276 HydrophobicContact CG2-CD1 3.8Å; I32-L276 HydrophobicContact CG2-CD2 4.34Å; L274-L276 HydrophobicContact CB-CD2 4.12Å; L274-L276 PolarHBondContact O-N 2.94Å; L276-R278 PolarHBondContact O-N 3Å; L276-I279 PolarHBondContact O-N 2.83Å; L276-L280 HydrophobicContact CB-CD1 3.74Å; L276-L280 HydrophobicContact CB-CG 4.23Å; L276-L280 VanDerWaalsContact O-CB 3.31Å; L276-L280 WeakPolarHBondContact O-CB 3.48Å; L276-L280 WeakPolarHBondContact O-CG 3.35Å; L276-L280 PolarHBondContact O-N 3.09Å; L276-A310 HydrophobicContact CB-CB 3.95Å; L276-A310 HydrophobicContact CD1-CB 4.44Å; L276-A310 PolarHBondContact N-O 2.96Å; L276-H312 HydrophobicContact CD1-CB 4.01Å; L276-H312 HydrophobicContact CD2-CB 3.97Å; L276-H312 HydrophobicContact CG-CB 3.99Å |
| 277 | K | 96.3 | Very high | 94.6 | Very high | 52 Ų | 52 | 53.8 Ų | 53.8 | 23% | 0.226 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -51.8 | -56 | -173.6 | 174.5 | 171.7 | 178.5 | 177.1 | 0 | 113.7 | Q275 I279 L280 Q281 F289 S308 E309 | Q275-K277 VanDerWaalsContact C-N 3.26Å; Q275-K277 PolarHBondContact O-N 3.03Å; K277-I279 VanDerWaalsContact C-N 3.33Å; K277-I279 PolarHBondContact O-N 2.75Å; K277-L280 PolarHBondContact O-N 2.88Å; K277-Q281 VanDerWaalsContact O-CG 3.27Å; K277-Q281 WeakPolarHBondContact O-CG 3.49Å; K277-Q281 PolarHBondContact O-N 3.28Å; K277-F289 HydrophobicContact CB-CD1 4.17Å; K277-F289 HydrophobicContact CB-CE1 3.84Å; K277-F289 HydrophobicContact CB-CZ 4.26Å; K277-F289 HydrophobicContact CD-CD1 4.03Å; K277-F289 HydrophobicContact CD-CE1 4.46Å; K277-F289 HydrophobicContact CG-CD1 3.62Å; K277-F289 HydrophobicContact CG-CE1 3.83Å; K277-F289 HydrophobicContact CG-CG 4Å; K277-F289 HydrophobicContact CG-CZ 4.39Å; K277-S308 WeakPolarHBondContact CD-O 3.47Å; K277-S308 WeakPolarHBondContact CE-O 3.41Å; K277-S308 PolarHBondContact NZ-O 2.96Å; K277-E309 WeakPolarHBondContact CD-OE2 3.18Å; K277-E309 IonicContact NZ-OE1 2.81Å; K277-E309 PolarHBondContact NZ-OE1 2.83Å; K277-E309 IonicContact NZ-OE2 3.94Å |
| 278 | R | 95.6 | Very high | 94.8 | Very high | 182 Ų | 182 | 51.5 Ų | 51.5 | 69% | 0.687 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -65.3 | -38.9 | -178.7 | -70.8 | -177.1 | 178.1 | 174.2 | 0.3 | 111.6 | L276 Q281 R282 | L276-R278 PolarHBondContact O-N 3Å; R278-Q281 PolarHBondContact O-N 3.27Å; R278-R282 WeakPolarHBondContact O-CG 3.33Å; R278-R282 PolarHBondContact O-N 3.04Å |
| 279 | I | 97.3 | Very high | 95.1 | Very high | 13 Ų | 13 | 51.4 Ų | 51.4 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -49.4 | 179.4 | -60.8 | 162.7 | 0 | 0 | 0 | 110.1 | T14 E17 A18 L274 L276 K277 Q281 R282 L283 | T14-I279 HydrophobicContact CG2-CG2 4.05Å; E17-I279 HydrophobicContact CB-CG2 3.99Å; A18-I279 HydrophobicContact CB-CD1 3.51Å; A18-I279 HydrophobicContact CB-CG1 3.85Å; A18-I279 HydrophobicContact CB-CG2 4.38Å; L274-I279 HydrophobicContact CB-CD1 4.38Å; L274-I279 HydrophobicContact CD1-CD1 4.19Å; L274-I279 HydrophobicContact CD2-CD1 3.9Å; L274-I279 HydrophobicContact CG-CD1 4.42Å; L276-I279 PolarHBondContact O-N 2.83Å; K277-I279 VanDerWaalsContact C-N 3.33Å; K277-I279 PolarHBondContact O-N 2.75Å; I279-Q281 VanDerWaalsContact C-N 3.3Å; I279-Q281 PolarHBondContact O-N 2.87Å; I279-R282 PolarHBondContact O-N 3.29Å; I279-R282 VanDerWaalsContact O-N 3.11Å; I279-L283 HydrophobicContact CG2-CD1 4.29Å; I279-L283 WeakPolarHBondContact O-CG 3.33Å; I279-L283 PolarHBondContact O-N 2.84Å |
| 280 | L | 98.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.7 | -37 | 178.2 | -70 | 169.7 | 0 | 0 | 0 | 112 | F10 L36 L55 L276 K277 L283 G284 V285 F289 | F10-L280 HydrophobicContact CE2-CD2 4.4Å; L36-L280 HydrophobicContact CD1-CD1 4.28Å; L36-L280 HydrophobicContact CD1-CD2 3.83Å; L36-L280 HydrophobicContact CD2-CD1 3.77Å; L55-L280 HydrophobicContact CD2-CD2 3.74Å; L276-L280 HydrophobicContact CB-CD1 3.74Å; L276-L280 HydrophobicContact CB-CG 4.23Å; L276-L280 VanDerWaalsContact O-CB 3.31Å; L276-L280 WeakPolarHBondContact O-CB 3.48Å; L276-L280 WeakPolarHBondContact O-CG 3.35Å; L276-L280 PolarHBondContact O-N 3.09Å; K277-L280 PolarHBondContact O-N 2.88Å; L280-L283 HydrophobicContact CD2-CD1 4.44Å; L280-L283 PolarHBondContact O-N 2.82Å; L280-G284 PolarHBondContact O-N 2.73Å; L280-V285 HydrophobicContact CB-CB 4.37Å; L280-V285 WeakPolarHBondContact O-CA 3.46Å; L280-V285 WeakPolarHBondContact O-CB 3.31Å; L280-V285 PolarHBondContact O-N 2.75Å; L280-F289 HydrophobicContact CB-CE2 3.69Å; L280-F289 HydrophobicContact CB-CZ 3.96Å; L280-F289 HydrophobicContact CD1-CE2 4.26Å; L280-F289 HydrophobicContact CD1-CZ 3.73Å |
| 281 | Q | 98.2 | Very high | 96 | Very high | 74 Ų | 74 | 55.3 Ų | 55.3 | 35% | 0.346 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 172.1 | -74.7 | 175.4 | -38.5 | 0 | 0 | 111.9 | K277 R278 I279 L283 G284 T286 F289 | K277-Q281 VanDerWaalsContact O-CG 3.27Å; K277-Q281 WeakPolarHBondContact O-CG 3.49Å; K277-Q281 PolarHBondContact O-N 3.28Å; R278-Q281 PolarHBondContact O-N 3.27Å; I279-Q281 VanDerWaalsContact C-N 3.3Å; I279-Q281 PolarHBondContact O-N 2.87Å; Q281-L283 VanDerWaalsContact C-N 3.31Å; Q281-L283 PolarHBondContact O-N 2.89Å; Q281-G284 WeakPolarHBondContact O-CA 3.44Å; Q281-G284 PolarHBondContact O-N 3.5Å; Q281-T286 HydrophobicContact CB-CG2 4.18Å; Q281-T286 HydrophobicContact CG-CG2 4.33Å; Q281-T286 WeakPolarHBondContact O-CG2 3.44Å; Q281-F289 HydrophobicContact CG-CD2 3.76Å; Q281-F289 HydrophobicContact CG-CE2 4.31Å; Q281-F289 HydrophobicContact CG-CG 4.46Å |
| 282 | R | 97.7 | Very high | 96.4 | Very high | 164 Ų | 164 | 60.7 Ų | 60.7 | 62% | 0.619 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65.5 | -33.7 | 176 | -67.4 | 180 | -175.6 | 168.1 | -6 | 112.8 | E17 R278 I279 G284 | E17-R282 HydrophobicContact CG-CB 4.15Å; E17-R282 PolarHBondContact O-NH1 3.14Å; E17-R282 WeakPolarHBondContact OE2-CB 2.94Å; E17-R282 WeakPolarHBondContact OE2-CD 3.34Å; R278-R282 WeakPolarHBondContact O-CG 3.33Å; R278-R282 PolarHBondContact O-N 3.04Å; I279-R282 PolarHBondContact O-N 3.29Å; I279-R282 VanDerWaalsContact O-N 3.11Å; R282-G284 PolarHBondContact O-N 2.77Å; R282-G284 VanDerWaalsContact O-N 3.16Å |
| 283 | L | 97 | Very high | 96.8 | Very high | 15 Ų | 15 | 62.1 Ų | 62.1 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -5.4 | 171 | -66.2 | 177.1 | 0 | 0 | 0 | 113.7 | F10 R13 E17 K54 I279 L280 Q281 | F10-L283 HydrophobicContact CE2-CD1 4.1Å; R13-L283 HydrophobicContact CB-CD2 3.74Å; E17-L283 HydrophobicContact CG-CD2 3.68Å; E17-L283 HydrophobicContact CG-CG 4.14Å; K54-L283 VanDerWaalsContact CD-O 3.25Å; K54-L283 WeakPolarHBondContact CD-O 3.18Å; K54-L283 VanDerWaalsContact CG-O 3.3Å; K54-L283 WeakPolarHBondContact CG-O 3.36Å; I279-L283 HydrophobicContact CG2-CD1 4.29Å; I279-L283 WeakPolarHBondContact O-CG 3.33Å; I279-L283 PolarHBondContact O-N 2.84Å; L280-L283 HydrophobicContact CD2-CD1 4.44Å; L280-L283 PolarHBondContact O-N 2.82Å; Q281-L283 VanDerWaalsContact C-N 3.31Å; Q281-L283 PolarHBondContact O-N 2.89Å |
| 284 | G | 97.1 | Very high | 97 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | 15.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L280 Q281 R282 | L280-G284 PolarHBondContact O-N 2.73Å; Q281-G284 WeakPolarHBondContact O-CA 3.44Å; Q281-G284 PolarHBondContact O-N 3.5Å; R282-G284 PolarHBondContact O-N 2.77Å; R282-G284 VanDerWaalsContact O-N 3.16Å |
| 285 | V | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -98.8 | 79 | 172.1 | -167.4 | 0 | 0 | 0 | 0 | 108.8 | M51 K54 L55 L280 M288 F289 | M51-V285 HydrophobicContact CG-CG1 3.69Å; K54-V285 HydrophobicContact CB-CG2 3.49Å; K54-V285 VanDerWaalsContact CB-CG2 3.49Å; K54-V285 HydrophobicContact CG-CG2 4.02Å; L55-V285 HydrophobicContact CD2-CG2 4.02Å; L55-V285 HydrophobicContact CG-CG2 4.11Å; L280-V285 HydrophobicContact CB-CB 4.37Å; L280-V285 WeakPolarHBondContact O-CA 3.46Å; L280-V285 WeakPolarHBondContact O-CB 3.31Å; L280-V285 PolarHBondContact O-N 2.75Å; V285-M288 HydrophobicContact CB-SD 4.5Å; V285-M288 HydrophobicContact CG1-CG 3.91Å; V285-M288 HydrophobicContact CG1-SD 3.37Å; V285-M288 WeakPolarHBondContact CG1-SD 3.35Å; V285-F289 WeakPolarHBondContact O-CD2 3.4Å; V285-F289 VanDerWaalsContact O-CE2 3.32Å; V285-F289 WeakPolarHBondContact O-CE2 3.36Å | ||
| 286 | T | 98.4 | Very high | 97.5 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 35% | 0.35 | 24% | 0.236 | S | C | . | . | trans | -103.2 | -38.5 | -168.6 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | Q50 Q281 M288 F289 | Q50-T286 PolarHBondContact NE2-OG1 2.95Å; Q50-T286 VanDerWaalsContact OE1-N 3.14Å; Q281-T286 HydrophobicContact CB-CG2 4.18Å; Q281-T286 HydrophobicContact CG-CG2 4.33Å; Q281-T286 WeakPolarHBondContact O-CG2 3.44Å; T286-M288 VanDerWaalsContact C-N 3.28Å; T286-M288 PolarHBondContact O-N 2.9Å; T286-F289 PolarHBondContact O-N 3.04Å; T286-F289 VanDerWaalsContact O-N 3.13Å | ||
| 287 | D | 98.6 | Very high | 97.5 | Very high | 10 Ų | 10 | 53.4 Ų | 53.4 | 5% | 0.053 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -61.1 | -36.9 | -172.9 | -77.7 | 17.2 | 0 | 0 | 0 | 112.2 | N46 T47 Q50 F289 S290 L293 A294 | N46-D287 WeakPolarHBondContact CB-OD2 3.38Å; N46-D287 PolarHBondContact ND2-OD2 3.16Å; T47-D287 HydrophobicContact CG2-CB 4.42Å; Q50-D287 VanDerWaalsContact NE2-CG 3.3Å; Q50-D287 PolarHBondContact NE2-OD1 3.32Å; Q50-D287 VanDerWaalsContact OE1-CB 3.22Å; Q50-D287 PolarHBondContact OE1-OD1 3.13Å; D287-F289 PolarHBondContact O-N 2.75Å; D287-F289 VanDerWaalsContact O-N 3.09Å; D287-S290 PolarHBondContact O-N 2.97Å; D287-L293 HydrophobicContact CB-CB 4.17Å; D287-A294 WeakPolarHBondContact O-CA 3.16Å; D287-A294 VanDerWaalsContact O-CB 3.28Å; D287-A294 WeakPolarHBondContact O-CB 3.29Å; D287-A294 PolarHBondContact O-N 3.44Å |
| 288 | M | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -59.5 | -25 | -178.4 | 68.7 | -178 | -70.1 | 0 | 0 | 113.2 | L36 T39 T47 M51 L161 V285 T286 F296 V307 | L36-M288 HydrophobicContact CD2-CE 4.19Å; T39-M288 HydrophobicContact CG2-CE 3.89Å; T47-M288 HydrophobicContact CG2-CB 3.9Å; M51-M288 HydrophobicContact CE-CE 4.29Å; M51-M288 HydrophobicContact CE-SD 4.27Å; M51-M288 HydrophobicContact CG-SD 4.32Å; M51-M288 HydrophobicContact SD-SD 4.35Å; L161-M288 HydrophobicContact CD2-CE 4.03Å; V285-M288 HydrophobicContact CB-SD 4.5Å; V285-M288 HydrophobicContact CG1-CG 3.91Å; V285-M288 HydrophobicContact CG1-SD 3.37Å; V285-M288 WeakPolarHBondContact CG1-SD 3.35Å; T286-M288 VanDerWaalsContact C-N 3.28Å; T286-M288 PolarHBondContact O-N 2.9Å; M288-F296 HydrophobicContact CB-CE2 3.99Å; M288-F296 HydrophobicContact CB-CZ 3.71Å; M288-V307 HydrophobicContact CE-CB 4Å; M288-V307 HydrophobicContact CE-CG1 4.27Å; M288-V307 HydrophobicContact CE-CG2 3.53Å; M288-V307 PolarHBondContact O-N 2.75Å |
| 289 | F | 98 | Very high | 97.5 | Very high | 16 Ų | 16 | 47.6 Ų | 47.6 | 7% | 0.07 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -95.8 | -3.9 | 179.8 | -57.8 | -73.3 | 0 | 0 | 0 | 113.7 | K277 L280 Q281 V285 T286 D287 V307 A310 | K277-F289 HydrophobicContact CB-CD1 4.17Å; K277-F289 HydrophobicContact CB-CE1 3.84Å; K277-F289 HydrophobicContact CB-CZ 4.26Å; K277-F289 HydrophobicContact CD-CD1 4.03Å; K277-F289 HydrophobicContact CD-CE1 4.46Å; K277-F289 HydrophobicContact CG-CD1 3.62Å; K277-F289 HydrophobicContact CG-CE1 3.83Å; K277-F289 HydrophobicContact CG-CG 4Å; K277-F289 HydrophobicContact CG-CZ 4.39Å; L280-F289 HydrophobicContact CB-CE2 3.69Å; L280-F289 HydrophobicContact CB-CZ 3.96Å; L280-F289 HydrophobicContact CD1-CE2 4.26Å; L280-F289 HydrophobicContact CD1-CZ 3.73Å; Q281-F289 HydrophobicContact CG-CD2 3.76Å; Q281-F289 HydrophobicContact CG-CE2 4.31Å; Q281-F289 HydrophobicContact CG-CG 4.46Å; V285-F289 WeakPolarHBondContact O-CD2 3.4Å; V285-F289 VanDerWaalsContact O-CE2 3.32Å; V285-F289 WeakPolarHBondContact O-CE2 3.36Å; T286-F289 PolarHBondContact O-N 3.04Å; T286-F289 VanDerWaalsContact O-N 3.13Å; D287-F289 PolarHBondContact O-N 2.75Å; D287-F289 VanDerWaalsContact O-N 3.09Å; F289-V307 WeakPolarHBondContact CA-O 3.36Å; F289-V307 HydrophobicContact CD1-CB 3.95Å; F289-V307 HydrophobicContact CD1-CG1 3.81Å; F289-V307 WeakPolarHBondContact CD1-O 3.45Å; F289-V307 HydrophobicContact CE1-CB 4Å; F289-V307 HydrophobicContact CE1-CG1 3.49Å; F289-V307 VanDerWaalsContact CE1-CG1 3.49Å; F289-A310 HydrophobicContact CE1-CB 4.38Å |
| 290 | S | 97.6 | Very high | 97.4 | Very high | 34 Ų | 34 | 47.4 Ų | 47.4 | 24% | 0.238 | 22% | 0.222 | C | C | . | . | trans | -97.9 | 118.3 | -176.4 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | D287 R292 L293 A294 | D287-S290 PolarHBondContact O-N 2.97Å; S290-R292 PolarHBondContact O-N 2.83Å; S290-R292 VanDerWaalsContact O-N 3.08Å; S290-R292 PolarHBondContact OG-N 2.75Å; S290-L293 PolarHBondContact O-N 3.29Å; S290-L293 PolarHBondContact OG-N 3.32Å; S290-A294 WeakPolarHBondContact O-CB 3.26Å; S290-A294 PolarHBondContact O-N 3.4Å | ||
| 291 | K | 95.4 | Very high | 97.2 | Very high | 156 Ų | 156 | 49.6 Ų | 49.6 | 68% | 0.678 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -32 | 173.1 | -179 | 177.1 | 177.2 | -173.5 | 0 | 113.1 | Y306 | K291-Y306 HydrophobicContact CB-CD1 3.75Å; K291-Y306 HydrophobicContact CB-CE1 3.65Å; K291-Y306 HydrophobicContact CB-CG 4.23Å; K291-Y306 HydrophobicContact CD-CE1 4.01Å; K291-Y306 HydrophobicContact CG-CD1 3.91Å; K291-Y306 HydrophobicContact CG-CE1 3.6Å |
| 292 | R | 96.7 | Very high | 97 | Very high | 210 Ų | 210 | 52.3 Ų | 52.3 | 79% | 0.792 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -39.6 | -178.8 | -173.9 | 177.3 | 69.1 | -175.6 | 0.9 | 112.8 | S290 | S290-R292 PolarHBondContact O-N 2.83Å; S290-R292 VanDerWaalsContact O-N 3.08Å; S290-R292 PolarHBondContact OG-N 2.75Å |
| 293 | L | 98.2 | Very high | 96.7 | Very high | 68 Ų | 68 | 51.5 Ų | 51.5 | 36% | 0.356 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -30.2 | -168.9 | -58.2 | 175.2 | 0 | 0 | 0 | 113.2 | D287 S290 N295 R303 | D287-L293 HydrophobicContact CB-CB 4.17Å; S290-L293 PolarHBondContact O-N 3.29Å; S290-L293 PolarHBondContact OG-N 3.32Å; L293-N295 PolarHBondContact O-N 3.48Å; L293-R303 PolarHBondContact O-NH2 3Å |
| 294 | A | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | trans | -51.7 | 134.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D287 S290 F296 L305 | D287-A294 WeakPolarHBondContact O-CA 3.16Å; D287-A294 VanDerWaalsContact O-CB 3.28Å; D287-A294 WeakPolarHBondContact O-CB 3.29Å; D287-A294 PolarHBondContact O-N 3.44Å; S290-A294 WeakPolarHBondContact O-CB 3.26Å; S290-A294 PolarHBondContact O-N 3.4Å; A294-F296 HydrophobicContact CB-CD2 4.15Å; A294-F296 HydrophobicContact CB-CE2 4.21Å; A294-L305 WeakPolarHBondContact CB-O 3.31Å | ||
| 295 | N | 98.4 | Very high | 96.1 | Very high | 16 Ų | 16 | 52.8 Ų | 52.8 | 9% | 0.086 | 25% | 0.254 | C | S | . | . | trans | -128 | 89.6 | 174.2 | -171.4 | -14.8 | 0 | 0 | 0 | 109.8 | S43 S44 T47 L293 S297 | S43-N295 CarbonylContact C-O 3.39Å; S43-N295 WeakPolarHBondContact CA-O 3.21Å; S44-N295 PolarHBondContact N-O 2.9Å; T47-N295 PolarHBondContact OG1-N 3.45Å; L293-N295 PolarHBondContact O-N 3.48Å; N295-S297 VanDerWaalsContact OD1-CB 3.26Å; N295-S297 WeakPolarHBondContact OD1-CB 3.21Å; N295-S297 PolarHBondContact OD1-N 2.88Å; N295-S297 PolarHBondContact OD1-OG 3.05Å | ||
| 296 | F | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -104.3 | 32.6 | 171.5 | -71.1 | -65.4 | 0 | 0 | 0 | 112.1 | T39 G42 T47 M288 A294 K298 I299 L305 V307 | T39-F296 HydrophobicContact CG2-CD1 4.46Å; T39-F296 HydrophobicContact CG2-CE1 3.41Å; T39-F296 VanDerWaalsContact CG2-CE1 3.41Å; T39-F296 HydrophobicContact CG2-CZ 3.58Å; G42-F296 CarbonylContact O-C 3.48Å; G42-F296 VanDerWaalsContact O-CA 3.25Å; G42-F296 WeakPolarHBondContact O-CA 3.48Å; T47-F296 HydrophobicContact CG2-CE1 4.42Å; T47-F296 HydrophobicContact CG2-CE2 4.44Å; T47-F296 HydrophobicContact CG2-CZ 4.09Å; M288-F296 HydrophobicContact CB-CE2 3.99Å; M288-F296 HydrophobicContact CB-CZ 3.71Å; A294-F296 HydrophobicContact CB-CD2 4.15Å; A294-F296 HydrophobicContact CB-CE2 4.21Å; F296-K298 PolarHBondContact O-N 3.4Å; F296-I299 HydrophobicContact CB-CB 4.43Å; F296-I299 HydrophobicContact CB-CD1 3.95Å; F296-I299 HydrophobicContact CB-CG1 4.07Å; F296-I299 HydrophobicContact CD1-CD1 3.85Å; F296-I299 HydrophobicContact CD1-CG1 4.44Å; F296-I299 HydrophobicContact CG-CD1 4.12Å; F296-I299 WeakPolarHBondContact O-CA 3.5Å; F296-I299 VanDerWaalsContact O-CB 3.24Å; F296-I299 WeakPolarHBondContact O-CB 3Å; F296-I299 PolarHBondContact O-N 2.83Å; F296-L305 HydrophobicContact CB-CB 4.1Å; F296-L305 HydrophobicContact CB-CD2 4.3Å; F296-L305 WeakPolarHBondContact CD2-O 3.27Å; F296-V307 HydrophobicContact CE2-CG2 3.92Å; F296-V307 HydrophobicContact CZ-CG2 3.91Å | ||
| 297 | S | 97.1 | Very high | 96.1 | Very high | 28 Ų | 28 | 51.7 Ų | 51.7 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.6 | -14.3 | -179.5 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | N295 G301 K302 | N295-S297 VanDerWaalsContact OD1-CB 3.26Å; N295-S297 WeakPolarHBondContact OD1-CB 3.21Å; N295-S297 PolarHBondContact OD1-N 2.88Å; N295-S297 PolarHBondContact OD1-OG 3.05Å; S297-G301 WeakPolarHBondContact O-CA 3.32Å; S297-G301 PolarHBondContact O-N 2.88Å; S297-K302 WeakPolarHBondContact CA-O 3.47Å |
| 298 | K | 96.8 | Very high | 96 | Very high | 112 Ų | 112 | 51.5 Ų | 51.5 | 49% | 0.487 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -78.9 | -10.1 | 170.3 | -53.2 | -60.7 | -178.4 | -173.2 | 0 | 112.9 | G42 S44 F105 F296 | G42-K298 WeakPolarHBondContact O-CB 3.37Å; G42-K298 PolarHBondContact O-N 3.44Å; S44-K298 WeakPolarHBondContact OG-CE 3.42Å; S44-K298 VanDerWaalsContact OG-CG 3.23Å; S44-K298 WeakPolarHBondContact OG-CG 3.34Å; F105-K298 WeakPolarHBondContact CB-O 3.48Å; F296-K298 PolarHBondContact O-N 3.4Å |
| 299 | I | 96 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -86.1 | -52.1 | 173.3 | -55.8 | -167.3 | 0 | 0 | 0 | 110.5 | G42 M101 L102 F105 I117 L159 F296 L305 | G42-I299 VanDerWaalsContact CA-CG1 3.42Å; M101-I299 HydrophobicContact CE-CB 4.49Å; M101-I299 HydrophobicContact CE-CG2 3.29Å; M101-I299 HydrophobicContact SD-CG2 3.6Å; L102-I299 WeakPolarHBondContact CB-O 3.3Å; L102-I299 PolarHBondContact N-O 3.44Å; F105-I299 HydrophobicContact CD1-CG1 4.41Å; F105-I299 HydrophobicContact CD1-CG2 4.13Å; F105-I299 HydrophobicContact CD2-CG1 4Å; F105-I299 HydrophobicContact CE1-CD1 4.32Å; F105-I299 HydrophobicContact CE1-CG1 4.21Å; F105-I299 HydrophobicContact CE1-CG2 4.09Å; F105-I299 HydrophobicContact CE2-CD1 4.11Å; F105-I299 HydrophobicContact CE2-CG1 3.82Å; F105-I299 HydrophobicContact CG-CG1 4.3Å; F105-I299 HydrophobicContact CZ-CD1 3.85Å; F105-I299 HydrophobicContact CZ-CG1 3.92Å; I117-I299 HydrophobicContact CD1-CG2 4.32Å; L159-I299 HydrophobicContact CD2-CD1 4.35Å; F296-I299 HydrophobicContact CB-CB 4.43Å; F296-I299 HydrophobicContact CB-CD1 3.95Å; F296-I299 HydrophobicContact CB-CG1 4.07Å; F296-I299 HydrophobicContact CD1-CD1 3.85Å; F296-I299 HydrophobicContact CD1-CG1 4.44Å; F296-I299 HydrophobicContact CG-CD1 4.12Å; F296-I299 WeakPolarHBondContact O-CA 3.5Å; F296-I299 VanDerWaalsContact O-CB 3.24Å; F296-I299 WeakPolarHBondContact O-CB 3Å; F296-I299 PolarHBondContact O-N 2.83Å; I299-L305 HydrophobicContact CB-CD2 4.18Å; I299-L305 HydrophobicContact CD1-CD2 3.93Å; I299-L305 HydrophobicContact CG2-CD2 3.81Å |
| 300 | T | 94.3 | Very high | 95.8 | Very high | 8 Ų | 8 | 52.3 Ų | 52.3 | 5% | 0.049 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -116.8 | -9.2 | -170 | 61.4 | 0 | 0 | 0 | 0 | 114.7 | L99 Q100 K302 D304 L305 | L99-T300 HydrophobicContact CB-CG2 4.33Å; L99-T300 HydrophobicContact CD2-CG2 4.35Å; Q100-T300 WeakPolarHBondContact O-CA 3.47Å; T300-K302 PolarHBondContact O-N 3.43Å; T300-K302 PolarHBondContact OG1-N 2.96Å; T300-K302 PolarHBondContact OG1-O 2.76Å; T300-D304 WeakPolarHBondContact CB-OD1 3.24Å; T300-D304 PolarHBondContact OG1-OD1 2.78Å; T300-L305 HydrophobicContact CG2-CD2 4.45Å |
| 301 | G | 94 | Very high | 95.8 | Very high | 48 Ų | 48 | 51.1 Ų | 51.1 | 50% | 0.495 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 80.7 | -7.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S297 | S297-G301 WeakPolarHBondContact O-CA 3.32Å; S297-G301 PolarHBondContact O-N 2.88Å |
| 302 | K | 93.5 | Very high | 95.8 | Very high | 131 Ų | 131 | 43.8 Ų | 43.8 | 57% | 0.57 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -126.6 | 171.3 | -176.5 | -62.4 | 178 | -175.2 | 175.7 | 0 | 111.1 | S297 T300 D304 | S297-K302 WeakPolarHBondContact CA-O 3.47Å; T300-K302 PolarHBondContact O-N 3.43Å; T300-K302 PolarHBondContact OG1-N 2.96Å; T300-K302 PolarHBondContact OG1-O 2.76Å; K302-D304 VanDerWaalsContact C-N 3.33Å; K302-D304 HydrophobicContact CB-CB 4.34Å |
| 303 | R | 91.7 | Very high | 95.8 | Very high | 147 Ų | 147 | 34.1 Ų | 34.1 | 56% | 0.555 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -99.8 | 45.3 | 173.5 | -64.3 | -176.6 | 69.1 | 163.4 | 0.8 | 111.3 | L293 | L293-R303 PolarHBondContact O-NH2 3Š|
| 304 | D | 87.7 | Confident | 95.6 | Very high | 64 Ų | 64 | 30.9 Ų | 30.9 | 34% | 0.342 | 15% | 0.153 | S | C | . | . | trans | -101.4 | -1.2 | -175.5 | 57.2 | -9 | 0 | 0 | 0 | 113.6 | T300 K302 | T300-D304 WeakPolarHBondContact CB-OD1 3.24Å; T300-D304 PolarHBondContact OG1-OD1 2.78Å; K302-D304 VanDerWaalsContact C-N 3.33Å; K302-D304 HydrophobicContact CB-CB 4.34Å | ||
| 305 | L | 94.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | trans | -119 | 139.8 | -175.8 | -154.9 | 73.1 | 0 | 0 | 0 | 111.7 | L99 R158 L159 A294 F296 I299 T300 | L99-L305 HydrophobicContact CD1-CD1 3.32Å; L99-L305 HydrophobicContact CD2-CD1 4.41Å; L99-L305 HydrophobicContact CG-CD1 4.5Å; R158-L305 HydrophobicContact CB-CD1 4.14Å; L159-L305 HydrophobicContact CB-CD1 4.28Å; L159-L305 HydrophobicContact CB-CD2 4.28Å; L159-L305 HydrophobicContact CB-CG 4.11Å; L159-L305 HydrophobicContact CD2-CD2 3.86Å; L159-L305 HydrophobicContact CD2-CG 4.33Å; L159-L305 HydrophobicContact CG-CD2 4.49Å; A294-L305 WeakPolarHBondContact CB-O 3.31Å; F296-L305 HydrophobicContact CB-CB 4.1Å; F296-L305 HydrophobicContact CB-CD2 4.3Å; F296-L305 WeakPolarHBondContact CD2-O 3.27Å; I299-L305 HydrophobicContact CB-CD2 4.18Å; I299-L305 HydrophobicContact CD1-CD2 3.93Å; I299-L305 HydrophobicContact CG2-CD2 3.81Å; T300-L305 HydrophobicContact CG2-CD2 4.45Å | ||
| 306 | Y | 96.7 | Very high | 94.9 | Very high | 35 Ų | 35 | 30.8 Ų | 30.8 | 14% | 0.137 | 15% | 0.151 | C | C | . | . | trans | -144.2 | 150.7 | 169.4 | 61.4 | -84 | 0 | 0 | 0 | 108.3 | L156 R158 L159 K291 S308 | L156-Y306 PolarHBondContact O-OH 2.91Å; R158-Y306 HydrophobicContact CB-CD1 4.33Å; R158-Y306 HydrophobicContact CB-CE1 4.12Å; R158-Y306 HydrophobicContact CG-CD1 4.17Å; R158-Y306 HydrophobicContact CG-CE1 3.55Å; L159-Y306 WeakPolarHBondContact CB-O 3.3Å; L159-Y306 PolarHBondContact N-O 2.9Å; K291-Y306 HydrophobicContact CB-CD1 3.75Å; K291-Y306 HydrophobicContact CB-CE1 3.65Å; K291-Y306 HydrophobicContact CB-CG 4.23Å; K291-Y306 HydrophobicContact CD-CE1 4.01Å; K291-Y306 HydrophobicContact CG-CD1 3.91Å; K291-Y306 HydrophobicContact CG-CE1 3.6Å; Y306-S308 WeakPolarHBondContact CE2-OG 3.49Å; Y306-S308 PolarHBondContact O-N 3.31Å | ||
| 307 | V | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -68.8 | 116.4 | 172.2 | 176.9 | 0 | 0 | 0 | 0 | 108.1 | T39 L159 L161 M288 F289 F296 E309 A310 | T39-V307 HydrophobicContact CG2-CG2 4.03Å; L159-V307 HydrophobicContact CD2-CG2 3.7Å; L159-V307 HydrophobicContact CG-CG2 4.19Å; L161-V307 HydrophobicContact CD1-CB 4.28Å; L161-V307 HydrophobicContact CD1-CG1 3.74Å; L161-V307 HydrophobicContact CD1-CG2 3.51Å; L161-V307 HydrophobicContact CD2-CG2 4.49Å; M288-V307 HydrophobicContact CE-CB 4Å; M288-V307 HydrophobicContact CE-CG1 4.27Å; M288-V307 HydrophobicContact CE-CG2 3.53Å; M288-V307 PolarHBondContact O-N 2.75Å; F289-V307 WeakPolarHBondContact CA-O 3.36Å; F289-V307 HydrophobicContact CD1-CB 3.95Å; F289-V307 HydrophobicContact CD1-CG1 3.81Å; F289-V307 WeakPolarHBondContact CD1-O 3.45Å; F289-V307 HydrophobicContact CE1-CB 4Å; F289-V307 HydrophobicContact CE1-CG1 3.49Å; F289-V307 VanDerWaalsContact CE1-CG1 3.49Å; F296-V307 HydrophobicContact CE2-CG2 3.92Å; F296-V307 HydrophobicContact CZ-CG2 3.91Å; V307-E309 WeakPolarHBondContact CG1-O 3.48Å; V307-A310 HydrophobicContact CG1-CB 4.38Å | ||
| 308 | S | 96.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | trans | -79.9 | -50.6 | 175.2 | -60.3 | 0 | 0 | 0 | 0 | 109.7 | T157 R158 L159 K277 Y306 | T157-S308 WeakPolarHBondContact CA-OG 3.23Å; R158-S308 PolarHBondContact N-OG 3.4Å; L159-S308 PolarHBondContact O-N 3.19Å; K277-S308 WeakPolarHBondContact CD-O 3.47Å; K277-S308 WeakPolarHBondContact CE-O 3.41Å; K277-S308 PolarHBondContact NZ-O 2.96Å; Y306-S308 WeakPolarHBondContact CE2-OG 3.49Å; Y306-S308 PolarHBondContact O-N 3.31Å | ||
| 309 | E | 95.6 | Very high | 94 | Very high | 33 Ų | 33 | 28 Ų | 28 | 15% | 0.154 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 155.4 | -179.6 | -62.9 | -55.4 | 146.6 | 0 | 0 | 111.6 | L159 V160 L161 K277 V307 F311 | L159-E309 PolarHBondContact O-N 2.82Å; V160-E309 WeakPolarHBondContact CA-O 3.47Å; L161-E309 PolarHBondContact N-O 3.35Å; K277-E309 WeakPolarHBondContact CD-OE2 3.18Å; K277-E309 IonicContact NZ-OE1 2.81Å; K277-E309 PolarHBondContact NZ-OE1 2.83Å; K277-E309 IonicContact NZ-OE2 3.94Å; V307-E309 WeakPolarHBondContact CG1-O 3.48Å; E309-F311 HydrophobicContact CB-CD2 4.18Å; E309-F311 HydrophobicContact CB-CE2 3.34Å; E309-F311 HydrophobicContact CB-CZ 3.75Å; E309-F311 HydrophobicContact CG-CE2 4.15Å; E309-F311 HydrophobicContact CG-CZ 4.14Å |
| 310 | A | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 123.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L161 L276 F289 V307 | L161-A310 HydrophobicContact CB-CB 3.91Å; L161-A310 HydrophobicContact CD2-CB 4.28Å; L161-A310 WeakPolarHBondContact O-CA 3.24Å; L276-A310 HydrophobicContact CB-CB 3.95Å; L276-A310 HydrophobicContact CD1-CB 4.44Å; L276-A310 PolarHBondContact N-O 2.96Å; F289-A310 HydrophobicContact CE1-CB 4.38Å; V307-A310 HydrophobicContact CG1-CB 4.38Å |
| 311 | F | 97.1 | Very high | 93.2 | Very high | 8 Ų | 8 | 32.4 Ų | 32.4 | 4% | 0.035 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.4 | -172.4 | -61.4 | -85.7 | 0 | 0 | 0 | 111.2 | L147 I148 A152 V160 L161 I162 N163 Q275 E309 | L147-F311 HydrophobicContact CD2-CB 3.64Å; L147-F311 HydrophobicContact CD2-CG 4.48Å; I148-F311 HydrophobicContact CB-CD2 4.41Å; I148-F311 HydrophobicContact CB-CE2 4.32Å; I148-F311 HydrophobicContact CB-CZ 4.46Å; I148-F311 HydrophobicContact CG2-CB 3.99Å; I148-F311 HydrophobicContact CG2-CD1 3.97Å; I148-F311 HydrophobicContact CG2-CD2 3.27Å; I148-F311 HydrophobicContact CG2-CE1 4.27Å; I148-F311 HydrophobicContact CG2-CE2 3.59Å; I148-F311 HydrophobicContact CG2-CG 3.48Å; I148-F311 VanDerWaalsContact CG2-CG 3.48Å; I148-F311 HydrophobicContact CG2-CZ 4.11Å; A152-F311 HydrophobicContact CB-CE1 4.33Å; A152-F311 HydrophobicContact CB-CE2 4.18Å; A152-F311 HydrophobicContact CB-CZ 3.56Å; V160-F311 HydrophobicContact CG1-CD2 4.02Å; V160-F311 HydrophobicContact CG1-CE2 4.12Å; L161-F311 PolarHBondContact O-N 3.44Å; I162-F311 HydrophobicContact CD1-CB 4.16Å; I162-F311 HydrophobicContact CD1-CD2 3.91Å; I162-F311 HydrophobicContact CD1-CG 4.47Å; N163-F311 PolarHBondContact N-O 2.97Å; Q275-F311 HydrophobicContact CG-CD1 4.04Å; Q275-F311 HydrophobicContact CG-CE1 3.81Å; E309-F311 HydrophobicContact CB-CD2 4.18Å; E309-F311 HydrophobicContact CB-CE2 3.34Å; E309-F311 HydrophobicContact CB-CZ 3.75Å; E309-F311 HydrophobicContact CG-CE2 4.15Å; E309-F311 HydrophobicContact CG-CZ 4.14Å |
| 312 | H | 96.7 | Very high | 92.2 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 130.8 | 171.7 | 174.6 | 62.6 | 0 | 0 | 0 | 109.6 | S28 I32 N163 E273 L274 L276 A314 | S28-H312 PolarHBondContact N-NE2 3.03Å; S28-H312 VanDerWaalsContact N-NE2 3.16Å; I32-H312 HydrophobicContact CD1-CB 4.3Å; I32-H312 HydrophobicContact CG1-CB 4.02Å; I32-H312 WeakPolarHBondContact CG1-ND1 3.24Å; N163-H312 CarbonylContact O-C 3.49Å; N163-H312 VanDerWaalsContact O-CA 3.24Å; N163-H312 WeakPolarHBondContact O-CA 3.38Å; N163-H312 PolarHBondContact OD1-CE1 2.66Å; N163-H312 VanDerWaalsContact OD1-CE1 3.27Å; N163-H312 PolarHBondContact OD1-ND1 2.77Å; E273-H312 CarbonylContact C-O 3.55Å; E273-H312 WeakPolarHBondContact CA-O 3.24Å; L274-H312 HydrophobicContact CB-CB 4.28Å; L274-H312 PolarHBondContact N-O 2.93Å; L274-H312 PolarHBondContact O-N 2.95Å; L276-H312 HydrophobicContact CD1-CB 4.01Å; L276-H312 HydrophobicContact CD2-CB 3.97Å; L276-H312 HydrophobicContact CG-CB 3.99Å; H312-A314 WeakPolarHBondContact NE2-CB 3.47Å |
| 313 | K | 95.9 | Very high | 89.7 | Confident | 7 Ų | 7 | 25.1 Ų | 25.1 | 3% | 0.03 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 126.7 | 167.5 | -170.8 | 163.8 | -178.9 | 170.6 | 0 | 109.7 | I144 K145 L147 N163 A164 I165 E271 Y272 E273 | I144-K313 HydrophobicContact CG2-CB 4.21Å; I144-K313 HydrophobicContact CG2-CD 3.58Å; I144-K313 HydrophobicContact CG2-CG 3.85Å; K145-K313 PolarHBondContact O-NZ 2.82Å; L147-K313 HydrophobicContact CB-CD 4.3Å; L147-K313 HydrophobicContact CD1-CB 3.62Å; L147-K313 HydrophobicContact CG-CB 3.81Å; L147-K313 HydrophobicContact CG-CD 4.45Å; N163-K313 PolarHBondContact O-N 3.36Å; A164-K313 CarbonylContact C-O 3.48Å; A164-K313 VanDerWaalsContact CA-O 3.29Å; A164-K313 WeakPolarHBondContact CA-O 3.46Å; I165-K313 PolarHBondContact N-O 3.41Å; E271-K313 WeakPolarHBondContact OE1-CE 3.45Å; E271-K313 IonicContact OE1-NZ 3.46Å; E271-K313 PolarHBondContact OE1-NZ 2.84Å; Y272-K313 WeakPolarHBondContact O-CA 3.45Å; E273-K313 HydrophobicContact CG-CB 4.28Å; E273-K313 HydrophobicContact CG-CD 3.58Å; E273-K313 HydrophobicContact CG-CG 3.72Å; E273-K313 WeakPolarHBondContact OE1-CD 3.43Å; E273-K313 WeakPolarHBondContact OE1-CE 3.41Å; E273-K313 IonicContact OE1-NZ 3.35Å; E273-K313 PolarHBondContact OE1-NZ 2.82Å |
| 314 | A | 94.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 143.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F26 I165 Y272 H312 F368 | F26-A314 HydrophobicContact CD1-CB 3.87Å; F26-A314 HydrophobicContact CE1-CB 3.49Å; F26-A314 VanDerWaalsContact CE1-CB 3.49Å; F26-A314 HydrophobicContact CZ-CB 4.47Å; I165-A314 HydrophobicContact CG2-CB 3.8Å; I165-A314 CarbonylContact O-C 3.54Å; I165-A314 WeakPolarHBondContact O-CA 3.32Å; Y272-A314 PolarHBondContact N-O 3.48Å; Y272-A314 PolarHBondContact O-N 2.93Å; H312-A314 WeakPolarHBondContact NE2-CB 3.47Å; A314-F368 HydrophobicContact CB-CE1 4.28Å |
| 315 | F | 91.9 | Very high | 84 | Confident | 13 Ų | 13 | 26.9 Ų | 26.9 | 6% | 0.057 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 134.4 | 177.1 | -177.3 | -76.2 | 0 | 0 | 0 | 111 | I165 Y166 F167 K269 F270 E271 E317 | I165-F315 PolarHBondContact O-N 2.94Å; Y166-F315 HydrophobicContact CD2-CB 3.92Å; Y166-F315 AromaticContact CD2-CD1 3.27Å; Y166-F315 HydrophobicContact CD2-CD1 3.27Å; Y166-F315 AromaticContact CD2-CE1 3.87Å; Y166-F315 HydrophobicContact CD2-CE1 3.87Å; Y166-F315 AromaticContact CD2-CG 3.68Å; Y166-F315 HydrophobicContact CD2-CG 3.68Å; Y166-F315 AromaticContact CE2-CD1 3.34Å; Y166-F315 HydrophobicContact CE2-CD1 3.34Å; Y166-F315 AromaticContact CE2-CE1 3.4Å; Y166-F315 HydrophobicContact CE2-CE1 3.4Å; Y166-F315 VanDerWaalsContact CE2-CE1 3.4Å; Y166-F315 HydrophobicContact CE2-CG 4.08Å; Y166-F315 HydrophobicContact CE2-CZ 4.12Å; Y166-F315 HydrophobicContact CG-CD1 4.36Å; F167-F315 PolarHBondContact N-O 2.88Å; F167-F315 VanDerWaalsContact N-O 3.14Å; K269-F315 HydrophobicContact CD-CE2 4.3Å; K269-F315 HydrophobicContact CD-CZ 4.1Å; K269-F315 HydrophobicContact CG-CE2 4.31Å; K269-F315 HydrophobicContact CG-CZ 4.14Å; F270-F315 VanDerWaalsContact O-CA 3.28Å; F270-F315 WeakPolarHBondContact O-CA 3.3Å; E271-F315 HydrophobicContact CB-CD2 4.28Å; F315-E317 HydrophobicContact CE1-CB 3.96Å; F315-E317 HydrophobicContact CZ-CB 4.41Å |
| 316 | I | 89.8 | Confident | 80.8 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 145.3 | 167.7 | -174.7 | 176.7 | 0 | 0 | 0 | 109.9 | F26 K269 F270 I318 I358 | F26-I316 HydrophobicContact CD1-CG2 4.14Å; F26-I316 HydrophobicContact CD2-CG2 4.12Å; F26-I316 HydrophobicContact CE1-CB 4.08Å; F26-I316 HydrophobicContact CE1-CG2 3.55Å; F26-I316 HydrophobicContact CE2-CB 4.2Å; F26-I316 HydrophobicContact CE2-CD1 4.32Å; F26-I316 HydrophobicContact CE2-CG2 3.49Å; F26-I316 VanDerWaalsContact CE2-CG2 3.49Å; F26-I316 HydrophobicContact CG-CG2 4.38Å; F26-I316 HydrophobicContact CZ-CB 3.56Å; F26-I316 HydrophobicContact CZ-CD1 4.37Å; F26-I316 HydrophobicContact CZ-CG2 3.17Å; K269-I316 WeakPolarHBondContact CA-O 3.43Å; F270-I316 HydrophobicContact CB-CG2 3.69Å; F270-I316 HydrophobicContact CD2-CG2 3.97Å; F270-I316 HydrophobicContact CG-CG2 4.3Å; F270-I316 PolarHBondContact N-O 3.21Å; F270-I316 PolarHBondContact O-N 2.85Å; I316-I318 HydrophobicContact CD1-CD1 3.8Å; I316-I318 HydrophobicContact CD1-CG1 4.24Å; I316-I318 HydrophobicContact CG1-CD1 4Å; I316-I318 HydrophobicContact CG1-CG1 4.31Å; I316-I358 HydrophobicContact CD1-CD1 3.39Å; I316-I358 HydrophobicContact CD1-CG1 4.32Å; I316-I358 HydrophobicContact CG1-CD1 4.42Å |
| 317 | E | 89.5 | Confident | 77.5 | Confident | 57 Ų | 57 | 34.1 Ų | 34.1 | 27% | 0.266 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.2 | 172.2 | -172.4 | -175.2 | 161.5 | 0 | 0 | 110 | K269 F315 N319 | K269-E317 HydrophobicContact CB-CG 4.36Å; K269-E317 HydrophobicContact CG-CB 4.45Å; K269-E317 HydrophobicContact CG-CG 4.43Å; F315-E317 HydrophobicContact CE1-CB 3.96Å; F315-E317 HydrophobicContact CZ-CB 4.41Å; E317-N319 PolarHBondContact OE1-ND2 3.32Å |
| 318 | I | 91 | Very high | 74.1 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 110.9 | 178.1 | -59.2 | -56.8 | 0 | 0 | 0 | 108.2 | W171 M198 M226 K267 F268 I316 | W171-I318 HydrophobicContact CH2-CD1 4.28Å; W171-I318 HydrophobicContact CZ2-CD1 4.08Å; W171-I318 HydrophobicContact CZ2-CG2 4.15Å; M198-I318 HydrophobicContact CE-CG2 3.81Å; M226-I318 HydrophobicContact CE-CD1 3.86Å; M226-I318 HydrophobicContact CE-CG1 4Å; M226-I318 HydrophobicContact SD-CD1 3.4Å; M226-I318 WeakPolarHBondContact SD-CD1 3.47Å; M226-I318 HydrophobicContact SD-CG1 4.17Å; K267-I318 WeakPolarHBondContact CA-O 3.38Å; F268-I318 HydrophobicContact CD1-CB 4.33Å; F268-I318 HydrophobicContact CD1-CG2 4.47Å; F268-I318 HydrophobicContact CD2-CB 4.14Å; F268-I318 HydrophobicContact CD2-CG1 3.97Å; F268-I318 HydrophobicContact CE1-CB 4.2Å; F268-I318 HydrophobicContact CE1-CG1 4.25Å; F268-I318 HydrophobicContact CE1-CG2 4.15Å; F268-I318 HydrophobicContact CE2-CB 4.02Å; F268-I318 HydrophobicContact CE2-CG1 3.44Å; F268-I318 VanDerWaalsContact CE2-CG1 3.44Å; F268-I318 HydrophobicContact CG-CB 4.31Å; F268-I318 HydrophobicContact CZ-CB 4.08Å; F268-I318 HydrophobicContact CZ-CG1 3.62Å; F268-I318 HydrophobicContact CZ-CG2 4.33Å; F268-I318 PolarHBondContact N-O 3.17Å; F268-I318 WeakPolarHBondContact O-CA 3.38Å; F268-I318 WeakPolarHBondContact O-CB 3.32Å; F268-I318 PolarHBondContact O-N 2.82Å; I316-I318 HydrophobicContact CD1-CD1 3.8Å; I316-I318 HydrophobicContact CD1-CG1 4.24Å; I316-I318 HydrophobicContact CG1-CD1 4Å; I316-I318 HydrophobicContact CG1-CG1 4.31Å |
| 319 | N | 91.6 | Very high | 71 | Confident | 23 Ų | 23 | 44.5 Ų | 44.5 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | trans | -139.4 | -176.6 | 177.4 | 66 | 42.9 | 0 | 0 | 0 | 110 | W171 E317 K321 G322 | W171-N319 PolarHBondContact NE1-O 2.89Å; E317-N319 PolarHBondContact OE1-ND2 3.32Å; N319-K321 PolarHBondContact O-N 2.7Å; N319-K321 PolarHBondContact OD1-N 3.41Å; N319-G322 PolarHBondContact OD1-N 2.82Å | ||
| 320 | E | 92.4 | Very high | 67.7 | Low | 13 Ų | 13 | 46.2 Ų | 46.2 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -62.8 | -29.7 | -171.4 | -67.7 | 90.4 | 154.3 | 0 | 0 | 113.4 | P174 F175 T177 T180 M198 K267 | P174-E320 CarbonylContact C-O 3.39Å; P174-E320 WeakPolarHBondContact CA-O 3.39Å; F175-E320 HydrophobicContact CB-CB 3.82Å; F175-E320 HydrophobicContact CB-CG 3.94Å; F175-E320 PolarHBondContact N-O 2.82Å; T177-E320 HydrophobicContact CG2-CB 3.97Å; T177-E320 HydrophobicContact CG2-CG 3.89Å; T180-E320 WeakPolarHBondContact CB-OE1 3.45Å; T180-E320 WeakPolarHBondContact OG1-CG 3.31Å; T180-E320 PolarHBondContact OG1-OE1 3.03Å; M198-E320 HydrophobicContact CG-CG 3.99Å; M198-E320 VanDerWaalsContact SD-CA 3.53Å; M198-E320 HydrophobicContact SD-CB 4.3Å; M198-E320 HydrophobicContact SD-CG 3.9Å; M198-E320 PolarHBondContact SD-N 2.97Å; K267-E320 VanDerWaalsContact CD-OE1 3.3Å; K267-E320 WeakPolarHBondContact CD-OE1 3.48Å; K267-E320 WeakPolarHBondContact CD-OE2 3.4Å; K267-E320 WeakPolarHBondContact CE-OE1 3.38Å; K267-E320 WeakPolarHBondContact CE-OE2 3.45Å; K267-E320 VanDerWaalsContact NZ-CD 3.35Å; K267-E320 IonicContact NZ-OE1 2.92Å; K267-E320 PolarHBondContact NZ-OE1 3.22Å; K267-E320 IonicContact NZ-OE2 2.97Å; K267-E320 PolarHBondContact NZ-OE2 2.88Å |
| 321 | K | 80.8 | Confident | 64.4 | Low | 86 Ų | 86 | 51.7 Ų | 51.7 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -101.6 | -38.2 | -175.2 | -62.2 | -174.3 | -176.5 | -177.2 | 0 | 113 | D170 W171 N319 S323 | D170-K321 WeakPolarHBondContact CA-O 3.01Å; W171-K321 PolarHBondContact N-O 3.28Å; N319-K321 PolarHBondContact O-N 2.7Å; N319-K321 PolarHBondContact OD1-N 3.41Å; K321-S323 WeakPolarHBondContact CB-O 3.03Å |
| 322 | G | 73.9 | Confident | 61.1 | Low | 2 Ų | 2 | 57.5 Ų | 57.5 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | S | Bend | trans | 96.9 | -32 | -165 | 0 | 0 | 0 | 0 | 0 | 113.7 | K168 A169 N319 | K168-G322 WeakPolarHBondContact CG-O 3.45Å; A169-G322 CarbonylContact O-C 3.58Å; A169-G322 VanDerWaalsContact O-C 3.31Å; A169-G322 WeakPolarHBondContact O-CA 3.44Å; N319-G322 PolarHBondContact OD1-N 2.82Å |
| 323 | S | 40.9 | Very low | 58 | Low | 25 Ų | 25 | 65.5 Ų | 65.5 | 18% | 0.175 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -174.8 | -174 | 170.2 | -164.6 | 0 | 0 | 0 | 0 | 111.2 | K168 D170 K321 | K168-S323 VanDerWaalsContact CD-OG 3.3Å; K168-S323 WeakPolarHBondContact CD-OG 3.29Å; K168-S323 WeakPolarHBondContact CE-OG 3.47Å; K168-S323 PolarHBondContact NZ-OG 3.33Å; D170-S323 WeakPolarHBondContact OD1-CA 3.31Å; D170-S323 WeakPolarHBondContact OD1-CB 3.08Å; D170-S323 PolarHBondContact OD1-N 2.88Å; K321-S323 WeakPolarHBondContact CB-O 3.03Å |
| 324 | E | 31.5 | Very low | 54.7 | Low | 172 Ų | 172 | 73.2 Ų | 73.2 | 80% | 0.804 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -87.5 | 109.1 | -169.2 | -173.2 | -178.3 | -169.2 | 0 | 0 | 114.2 | ||
| 325 | A | 29.2 | Very low | 51.7 | Low | 75 Ų | 75 | 76.9 Ų | 76.9 | 62% | 0.62 | 47% | 0.468 | S | S | * | . | trans | -175.9 | 166.4 | 137 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 326 | A | 26.8 | Very low | 49.1 | Very low | 93 Ų | 93 | 83.3 Ų | 83.3 | 77% | 0.769 | 50% | 0.502 | S | S | * | . | trans | -98.9 | 145.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 327 | A | 26.7 | Very low | 46.3 | Very low | 96 Ų | 96 | 89.5 Ų | 89.5 | 79% | 0.793 | 54% | 0.54 | S | S | * | . | 173.7 | 125.8 | 125.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 328 | A | 27 | Very low | 44 | Very low | 99 Ų | 99 | 91.5 Ų | 91.5 | 82% | 0.818 | 56% | 0.56 | S | S | * | * | trans | -71.5 | 131.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 329 | T | 32.5 | Very low | 41.5 | Very low | 125 Ų | 125 | 99 Ų | 99 | 77% | 0.767 | 61% | 0.606 | S | S | * | * | trans | -131.1 | 81.4 | 154.9 | -32.7 | 0 | 0 | 0 | 0 | 107.5 | I331 | T329-I331 VanDerWaalsContact C-N 3.33Å; T329-I331 HydrophobicContact CG2-CG1 4.43Å; T329-I331 PolarHBondContact O-N 2.99Å | ||
| 330 | A | 26.2 | Very low | 39.2 | Very low | 69 Ų | 69 | 100.3 Ų | 100.3 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | trans | -69 | 90.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | V332 | A330-V332 VanDerWaalsContact C-N 3.35Å; A330-V332 PolarHBondContact O-N 3.06Å | ||
| 331 | I | 27.1 | Very low | 37 | Very low | 116 Ų | 116 | 106.1 Ų | 106.1 | 60% | 0.595 | 66% | 0.661 | S | S | * | * | trans | -76.7 | 94.2 | 168.6 | -56.6 | 178.1 | 0 | 0 | 0 | 107.1 | T329 F333 | T329-I331 VanDerWaalsContact C-N 3.33Å; T329-I331 HydrophobicContact CG2-CG1 4.43Å; T329-I331 PolarHBondContact O-N 2.99Å; I331-F333 HydrophobicContact CB-CD2 4.46Å; I331-F333 HydrophobicContact CB-CE2 4.18Å; I331-F333 HydrophobicContact CG2-CD2 3.73Å; I331-F333 HydrophobicContact CG2-CE2 3.43Å; I331-F333 VanDerWaalsContact CG2-CE2 3.43Å; I331-F333 HydrophobicContact CG2-CG 4.45Å; I331-F333 HydrophobicContact CG2-CZ 3.93Å; I331-F333 PolarHBondContact O-N 2.97Å | ||
| 332 | V | 28.1 | Very low | 35.4 | Very low | 129 Ų | 129 | 112.1 Ų | 112.1 | 78% | 0.782 | 68% | 0.681 | S | S | * | * | trans | -68.8 | 101.8 | 167.8 | 177.1 | 0 | 0 | 0 | 0 | 107.3 | A330 M334 | A330-V332 VanDerWaalsContact C-N 3.35Å; A330-V332 PolarHBondContact O-N 3.06Å; V332-M334 PolarHBondContact O-N 3.04Å | ||
| 333 | F | 30.9 | Very low | 35 | Very low | 171 Ų | 171 | 119.9 Ų | 119.9 | 75% | 0.75 | 72% | 0.719 | S | S | * | * | trans | -77.1 | 114 | 172.9 | -85.9 | -85.7 | 0 | 0 | 0 | 110 | I331 | I331-F333 HydrophobicContact CB-CD2 4.46Å; I331-F333 HydrophobicContact CB-CE2 4.18Å; I331-F333 HydrophobicContact CG2-CD2 3.73Å; I331-F333 HydrophobicContact CG2-CE2 3.43Å; I331-F333 VanDerWaalsContact CG2-CE2 3.43Å; I331-F333 HydrophobicContact CG2-CG 4.45Å; I331-F333 HydrophobicContact CG2-CZ 3.93Å; I331-F333 PolarHBondContact O-N 2.97Å | ||
| 334 | M | 28 | Very low | 37 | Very low | 170 Ų | 170 | 123.1 Ų | 123.1 | 84% | 0.837 | 74% | 0.741 | S | S | * | * | trans | -59 | 130.1 | 165.5 | -89 | -174.5 | -99.3 | 0 | 0 | 110.2 | V332 I336 | V332-M334 PolarHBondContact O-N 3.04Å; M334-I336 PolarHBondContact O-N 2.75Å; M334-I336 VanDerWaalsContact O-N 3.11Å | ||
| 335 | A | 30.9 | Very low | 39.8 | Very low | 77 Ų | 77 | 116.4 Ų | 116.4 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | trans | -68.4 | 102.2 | 174 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 336 | I | 35.9 | Very low | 42.9 | Very low | 147 Ų | 147 | 114.9 Ų | 114.9 | 75% | 0.754 | 70% | 0.696 | S | S | * | * | trans | -82.3 | 123.1 | 165.7 | -47.8 | 178.1 | 0 | 0 | 0 | 107.3 | M334 S338 | M334-I336 PolarHBondContact O-N 2.75Å; M334-I336 VanDerWaalsContact O-N 3.11Å; I336-S338 PolarHBondContact O-N 2.63Å | ||
| 337 | T | 32.1 | Very low | 46.3 | Very low | 131 Ų | 131 | 115.6 Ų | 115.6 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | trans | -69 | 107.1 | 176.7 | 46.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 338 | S | 40.3 | Very low | 49.7 | Very low | 100 Ų | 100 | 111 Ų | 111 | 70% | 0.699 | 64% | 0.644 | S | S | * | * | trans | -138.6 | 128.5 | 153.1 | 54.5 | 0 | 0 | 0 | 0 | 108.2 | I336 G340 | I336-S338 PolarHBondContact O-N 2.63Å; S338-G340 PolarHBondContact O-N 2.88Å | ||
| 339 | V | 38.5 | Very low | 53.1 | Low | 160 Ų | 160 | 109.3 Ų | 109.3 | 97% | 0.97 | 62% | 0.621 | S | S | * | * | trans | -80 | 55.3 | -168.2 | -153.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 340 | G | 43.1 | Very low | 56.3 | Low | 51 Ų | 51 | 103.3 Ų | 103.3 | 53% | 0.526 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -93 | 139.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | S338 R342 | S338-G340 PolarHBondContact O-N 2.88Å; G340-R342 PolarHBondContact O-N 2.79Å |
| 341 | V | 46.3 | Very low | 59.7 | Low | 134 Ų | 134 | 101.3 Ų | 101.3 | 81% | 0.812 | 56% | 0.564 | S | S | * | * | trans | -38.4 | 102.9 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 109 | M343 | V341-M343 HydrophobicContact CG1-CG 4.02Å; V341-M343 PolarHBondContact O-N 2.99Å | ||
| 342 | R | 48 | Very low | 63.1 | Low | 212 Ų | 212 | 96.3 Ų | 96.3 | 80% | 0.8 | 54% | 0.538 | S | S | * | . | trans | -70.3 | 79.5 | 174.9 | -92.4 | -175.3 | 175.7 | 175.8 | 0.4 | 106 | G340 S344 | G340-R342 PolarHBondContact O-N 2.79Å; R342-S344 PolarHBondContact O-N 2.82Å | ||
| 343 | M | 64.7 | Low | 66.4 | Low | 165 Ų | 165 | 90.3 Ų | 90.3 | 81% | 0.813 | 50% | 0.502 | S | S | * | . | trans | -57.9 | 115.1 | 163.4 | -73.6 | -168.3 | -76.4 | 0 | 0 | 105.5 | V341 | V341-M343 HydrophobicContact CG1-CG 4.02Å; V341-M343 PolarHBondContact O-N 2.99Å | ||
| 344 | S | 82.9 | Confident | 69.6 | Low | 93 Ų | 93 | 82.1 Ų | 82.1 | 65% | 0.65 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -56 | 137.2 | 172.3 | 45.3 | 0 | 0 | 0 | 0 | 107.7 | R342 | R342-S344 PolarHBondContact O-N 2.82Š|
| 345 | P | 89.9 | Confident | 73 | Confident | 32 Ų | 32 | 74.1 Ų | 74.1 | 21% | 0.208 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 145.1 | 178.7 | 24.9 | -34 | 0 | 0 | 0 | 109.6 | K260 | K260-P345 HydrophobicContact CB-CB 4.4Å; K260-P345 HydrophobicContact CG-CB 4.13Å; K260-P345 WeakPolarHBondContact O-CB 3.3Å |
| 346 | P | 95.3 | Very high | 76.2 | Confident | 42 Ų | 42 | 70.4 Ų | 70.4 | 27% | 0.273 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 145.5 | 173.2 | 23 | -34.8 | 0 | 0 | 0 | 110.3 | Y206 K260 V261 E262 | Y206-P346 HydrophobicContact CD1-CG 4.03Å; Y206-P346 HydrophobicContact CE1-CB 3.71Å; Y206-P346 HydrophobicContact CE1-CG 3.61Å; K260-P346 WeakPolarHBondContact O-CD 3.38Å; V261-P346 HydrophobicContact CG1-CG 4.5Å; V261-P346 WeakPolarHBondContact CG1-O 3.14Å; V261-P346 HydrophobicContact CG2-CG 4.23Å; E262-P346 PolarHBondContact N-O 3.15Å |
| 347 | K | 98.1 | Very high | 79.1 | Confident | 108 Ų | 108 | 63.4 Ų | 63.4 | 47% | 0.47 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.2 | 177.3 | -60.7 | -174.2 | 178.5 | -177 | 0 | 108.6 | Q213 E262 I349 | Q213-K347 PolarHBondContact NE2-O 2.78Å; E262-K347 HydrophobicContact CB-CG 4.17Å; E262-K347 HydrophobicContact CG-CG 4.44Å; E262-K347 CarbonylContact O-C 3.6Å; E262-K347 WeakPolarHBondContact O-CA 3.34Å; K347-I349 HydrophobicContact CB-CD1 4.11Å; K347-I349 HydrophobicContact CB-CG1 4.18Å; K347-I349 HydrophobicContact CD-CD1 4.28Å |
| 348 | F | 98.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 100.7 | 168.9 | -173.9 | -86.1 | 0 | 0 | 0 | 107.6 | Y206 Q213 L215 F228 L230 V261 E262 H264 I265 A350 | Y206-F348 HydrophobicContact CE2-CB 4.28Å; Y206-F348 HydrophobicContact CE2-CD2 4.01Å; Q213-F348 HydrophobicContact CB-CD2 3.71Å; Q213-F348 HydrophobicContact CB-CE2 3.84Å; L215-F348 HydrophobicContact CB-CD1 4.26Å; L215-F348 HydrophobicContact CB-CD2 3.81Å; L215-F348 HydrophobicContact CB-CE1 4.23Å; L215-F348 HydrophobicContact CB-CE2 3.77Å; L215-F348 HydrophobicContact CB-CG 4.05Å; L215-F348 HydrophobicContact CB-CZ 3.99Å; L215-F348 HydrophobicContact CD2-CB 4.32Å; L215-F348 HydrophobicContact CD2-CD1 3.55Å; L215-F348 HydrophobicContact CD2-CD2 4.46Å; L215-F348 HydrophobicContact CD2-CE1 3.91Å; L215-F348 HydrophobicContact CD2-CG 3.85Å; L215-F348 HydrophobicContact CD2-CZ 4.5Å; F228-F348 HydrophobicContact CB-CE1 3.87Å; F228-F348 HydrophobicContact CB-CE2 4.49Å; F228-F348 HydrophobicContact CB-CZ 3.48Å; F228-F348 VanDerWaalsContact CB-CZ 3.48Å; F228-F348 HydrophobicContact CG-CE1 4.45Å; F228-F348 HydrophobicContact CG-CZ 4.5Å; L230-F348 HydrophobicContact CB-CD2 4.49Å; L230-F348 HydrophobicContact CB-CE1 4.48Å; L230-F348 HydrophobicContact CB-CE2 3.58Å; L230-F348 HydrophobicContact CB-CZ 3.57Å; L230-F348 HydrophobicContact CD2-CD2 4.39Å; L230-F348 HydrophobicContact CD2-CE1 4.43Å; L230-F348 HydrophobicContact CD2-CE2 4.18Å; L230-F348 HydrophobicContact CD2-CZ 4.19Å; L230-F348 HydrophobicContact CG-CZ 4.47Å; V261-F348 HydrophobicContact CG1-CB 3.92Å; E262-F348 PolarHBondContact O-N 2.83Å; H264-F348 PolarHBondContact N-O 2.98Å; I265-F348 HydrophobicContact CG1-CD1 4.47Å; I265-F348 HydrophobicContact CG1-CE1 4.38Å; F348-A350 HydrophobicContact CE1-CB 3.97Å |
| 349 | I | 98.6 | Very high | 84.8 | Confident | 63 Ų | 63 | 52.7 Ų | 52.7 | 32% | 0.323 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 98.6 | -176.4 | -59 | 169.1 | 0 | 0 | 0 | 109 | L230 H264 K347 D351 | L230-I349 VanDerWaalsContact CD2-O 3.23Å; L230-I349 WeakPolarHBondContact CD2-O 3.4Å; H264-I349 HydrophobicContact CB-CB 4.5Å; H264-I349 HydrophobicContact CB-CG1 4.36Å; H264-I349 HydrophobicContact CB-CG2 4.32Å; K347-I349 HydrophobicContact CB-CD1 4.11Å; K347-I349 HydrophobicContact CB-CG1 4.18Å; K347-I349 HydrophobicContact CD-CD1 4.28Å; I349-D351 HydrophobicContact CG2-CB 3.93Å; I349-D351 PolarHBondContact O-N 2.84Å |
| 350 | A | 98.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -82.2 | 56 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | F185 L230 H264 P266 F348 H352 F354 | F185-A350 WeakPolarHBondContact CE2-O 3.3Å; L230-A350 HydrophobicContact CD1-CB 4.35Å; H264-A350 WeakPolarHBondContact O-CB 3.41Å; H264-A350 PolarHBondContact O-N 3.33Å; P266-A350 WeakPolarHBondContact CD-O 2.97Å; P266-A350 WeakPolarHBondContact CG-O 3.45Å; F348-A350 HydrophobicContact CE1-CB 3.97Å; A350-H352 VanDerWaalsContact C-N 3.3Å; A350-F354 HydrophobicContact CB-CD1 3.71Å; A350-F354 HydrophobicContact CB-CE1 3.74Å; A350-F354 HydrophobicContact CB-CG 4.5Å | ||
| 351 | D | 98 | Very high | 89.8 | Confident | 26 Ų | 26 | 46 Ų | 46 | 14% | 0.139 | 23% | 0.234 | C | C | . | . | trans | -86.2 | 7.1 | 179.6 | 72.4 | -16.3 | 0 | 0 | 0 | 113.6 | F185 Y186 M197 R234 I349 | F185-D351 CarbonylContact C-O 3.57Å; F185-D351 VanDerWaalsContact CA-O 3.29Å; F185-D351 WeakPolarHBondContact CA-O 3.45Å; F185-D351 VanDerWaalsContact CD2-C 3.42Å; Y186-D351 HydrophobicContact CD2-CB 4.43Å; Y186-D351 WeakPolarHBondContact CD2-O 3.13Å; Y186-D351 PolarHBondContact N-O 3.02Å; M197-D351 HydrophobicContact CE-CB 4.4Å; R234-D351 IonicContact CZ-OD2 2.68Å; R234-D351 VanDerWaalsContact NH1-CG 3.33Å; R234-D351 IonicContact NH1-OD1 3.5Å; R234-D351 PolarHBondContact NH1-OD1 3.29Å; R234-D351 IonicContact NH1-OD2 2.73Å; R234-D351 PolarHBondContact NH1-OD2 2.49Å; R234-D351 IonicContact NH2-OD2 3.81Å; I349-D351 HydrophobicContact CG2-CB 3.93Å; I349-D351 PolarHBondContact O-N 2.84Å | ||
| 352 | H | 98.4 | Very high | 91.9 | Very high | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -153.1 | 171.3 | -178.7 | 64.2 | -89.2 | 0 | 0 | 0 | 110.6 | F185 L230 P231 R234 A350 F354 | F185-H352 WeakPolarHBondContact CE2-O 3.37Å; F185-H352 WeakPolarHBondContact CZ-O 3.25Å; L230-H352 VanDerWaalsContact CD1-CE1 3.47Å; L230-H352 WeakPolarHBondContact CD1-CE1 3.26Å; L230-H352 WeakPolarHBondContact CD1-NE2 3.16Å; P231-H352 PolarHBondContact O-CE1 2.84Å; P231-H352 PolarHBondContact O-NE2 3.19Å; R234-H352 HydrophobicContact CG-CB 3.69Å; R234-H352 WeakPolarHBondContact O-CB 3.4Å; R234-H352 PolarHBondContact O-CD2 3.32Å; A350-H352 VanDerWaalsContact C-N 3.3Å; H352-F354 VanDerWaalsContact O-CD1 3.31Å; H352-F354 WeakPolarHBondContact O-CD1 3.23Å; H352-F354 PolarHBondContact O-N 2.94Å |
| 353 | P | 98.2 | Very high | 94 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | trans | -56.4 | 128.7 | -168 | -28.9 | 34.1 | 0 | 0 | 0 | 114.6 | F185 Y186 V187 P231 L237 Y372 Y373 | F185-P353 HydrophobicContact CE1-CG 4.34Å; F185-P353 HydrophobicContact CZ-CG 4.44Å; Y186-P353 WeakPolarHBondContact O-CD 3.33Å; V187-P353 VanDerWaalsContact O-CG 3.24Å; V187-P353 WeakPolarHBondContact O-CG 3.48Å; P231-P353 WeakPolarHBondContact CD-O 3.4Å; L237-P353 HydrophobicContact CB-CB 3.98Å; L237-P353 HydrophobicContact CD2-CB 3.48Å; L237-P353 VanDerWaalsContact CD2-CB 3.48Å; L237-P353 HydrophobicContact CG-CB 4.36Å; P353-Y372 WeakPolarHBondContact CA-O 3.5Å; P353-Y372 WeakPolarHBondContact CB-O 3.35Å; P353-Y373 HydrophobicContact CB-CD1 3.67Å; P353-Y373 HydrophobicContact CB-CD2 4.45Å; P353-Y373 HydrophobicContact CB-CE1 3.56Å; P353-Y373 HydrophobicContact CB-CE2 4.38Å; P353-Y373 HydrophobicContact CB-CG 4.13Å; P353-Y373 HydrophobicContact CG-CD1 3.32Å; P353-Y373 HydrophobicContact CG-CE1 3.48Å; P353-Y373 VanDerWaalsContact CG-CE1 3.48Å; P353-Y373 HydrophobicContact CG-CG 4.09Å | ||
| 354 | F | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 161.6 | -180 | 58.3 | -96.6 | 0 | 0 | 0 | 111.8 | F185 F228 V229 L230 P266 F268 A350 H352 F356 V371 Y372 | F185-F354 HydrophobicContact CE2-CD1 4.39Å; F185-F354 HydrophobicContact CE2-CE1 4.1Å; F228-F354 AromaticContact CD1-CD2 3.97Å; F228-F354 HydrophobicContact CD1-CD2 3.97Å; F228-F354 AromaticContact CD1-CE2 3.68Å; F228-F354 HydrophobicContact CD1-CE2 3.68Å; F228-F354 HydrophobicContact CD1-CZ 4.43Å; F228-F354 HydrophobicContact CE1-CE2 4.02Å; V229-F354 WeakPolarHBondContact O-CB 3.22Å; L230-F354 HydrophobicContact CD1-CB 3.81Å; L230-F354 HydrophobicContact CD1-CD1 4.48Å; P266-F354 HydrophobicContact CG-CE1 4.14Å; F268-F354 HydrophobicContact CE1-CE2 4.28Å; F268-F354 AromaticContact CE1-CZ 3.97Å; F268-F354 HydrophobicContact CE1-CZ 3.97Å; A350-F354 HydrophobicContact CB-CD1 3.71Å; A350-F354 HydrophobicContact CB-CE1 3.74Å; A350-F354 HydrophobicContact CB-CG 4.5Å; H352-F354 VanDerWaalsContact O-CD1 3.31Å; H352-F354 WeakPolarHBondContact O-CD1 3.23Å; H352-F354 PolarHBondContact O-N 2.94Å; F354-F356 HydrophobicContact CD2-CB 4.29Å; F354-F356 HydrophobicContact CD2-CD1 4.31Å; F354-F356 HydrophobicContact CE2-CB 4.16Å; F354-F356 AromaticContact CE2-CD1 3.95Å; F354-F356 HydrophobicContact CE2-CD1 3.95Å; F354-F356 HydrophobicContact CE2-CG 4.45Å; F354-V371 VanDerWaalsContact O-CA 3.32Å; F354-V371 WeakPolarHBondContact O-CA 3.34Å; F354-Y372 HydrophobicContact CD1-CD1 4.27Å; F354-Y372 AromaticContact CE1-CD1 3.41Å; F354-Y372 HydrophobicContact CE1-CD1 3.41Å; F354-Y372 VanDerWaalsContact CE1-CD1 3.41Å; F354-Y372 HydrophobicContact CE1-CE1 4.23Å; F354-Y372 HydrophobicContact CE1-CG 4.02Å; F354-Y372 HydrophobicContact CE2-CG 4.35Å; F354-Y372 AromaticContact CZ-CD1 3.58Å; F354-Y372 HydrophobicContact CZ-CD1 3.58Å; F354-Y372 HydrophobicContact CZ-CE1 4.44Å; F354-Y372 AromaticContact CZ-CG 3.74Å; F354-Y372 HydrophobicContact CZ-CG 3.74Å; F354-Y372 PolarHBondContact N-O 3.2Å; F354-Y372 PolarHBondContact O-N 2.73Å |
| 355 | L | 98.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 144.2 | 165.2 | 173.6 | 150.8 | 0 | 0 | 0 | 109.3 | F228 V229 L237 M240 M241 L244 L249 F253 I369 G370 V371 | F228-L355 CarbonylContact C-O 3.6Å; F228-L355 WeakPolarHBondContact CA-O 3.47Å; V229-L355 HydrophobicContact CB-CB 4.31Å; V229-L355 HydrophobicContact CB-CD2 4.17Å; V229-L355 HydrophobicContact CG2-CD2 3.83Å; V229-L355 PolarHBondContact N-O 3.1Å; V229-L355 PolarHBondContact O-N 2.73Å; L237-L355 HydrophobicContact CD1-CB 4.37Å; M240-L355 HydrophobicContact CE-CB 3.49Å; M240-L355 VanDerWaalsContact CE-CB 3.49Å; M240-L355 HydrophobicContact CE-CD1 4.37Å; M241-L355 HydrophobicContact CE-CD1 3.9Å; M241-L355 HydrophobicContact SD-CB 4.41Å; M241-L355 HydrophobicContact SD-CD1 3.51Å; M241-L355 VanDerWaalsContact SD-CD1 3.51Å; L244-L355 HydrophobicContact CD1-CD1 4.11Å; L249-L355 HydrophobicContact CD1-CD1 4.35Å; L249-L355 HydrophobicContact CD1-CD2 3.94Å; F253-L355 HydrophobicContact CZ-CD2 4.43Å; L355-I369 HydrophobicContact CD1-CD1 4.13Å; L355-I369 HydrophobicContact CD1-CG1 4.39Å; L355-I369 HydrophobicContact CG-CG1 4.4Å; L355-G370 WeakPolarHBondContact CA-O 3.3Å; L355-V371 HydrophobicContact CB-CG1 4.39Å |
| 356 | F | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 150.9 | 169.3 | 63.8 | -88.3 | 0 | 0 | 0 | 110.8 | F26 M226 Y227 F228 F268 F270 F354 I369 G370 | F26-F356 AromaticContact CD2-CE2 3.56Å; F26-F356 HydrophobicContact CD2-CE2 3.56Å; F26-F356 AromaticContact CD2-CZ 3.72Å; F26-F356 HydrophobicContact CD2-CZ 3.72Å; F26-F356 AromaticContact CE2-CE2 3.79Å; F26-F356 HydrophobicContact CE2-CE2 3.79Å; F26-F356 HydrophobicContact CE2-CZ 4.38Å; M226-F356 HydrophobicContact CE-CB 3.66Å; M226-F356 HydrophobicContact CE-CD2 3.56Å; M226-F356 HydrophobicContact CE-CE2 4.46Å; M226-F356 HydrophobicContact CE-CG 3.82Å; Y227-F356 CarbonylContact O-C 3.57Å; Y227-F356 WeakPolarHBondContact O-CA 3.18Å; F228-F356 HydrophobicContact CD1-CB 4.03Å; F228-F356 HydrophobicContact CE1-CB 4.23Å; F268-F356 HydrophobicContact CE2-CE1 4.32Å; F268-F356 HydrophobicContact CE2-CE2 4.27Å; F268-F356 HydrophobicContact CE2-CZ 4.14Å; F268-F356 HydrophobicContact CZ-CD1 4.26Å; F268-F356 HydrophobicContact CZ-CD2 4.49Å; F268-F356 HydrophobicContact CZ-CE1 4.39Å; F268-F356 HydrophobicContact CZ-CG 4.31Å; F270-F356 HydrophobicContact CD2-CE1 4.39Å; F270-F356 HydrophobicContact CD2-CE2 4.41Å; F270-F356 AromaticContact CD2-CZ 3.67Å; F270-F356 HydrophobicContact CD2-CZ 3.67Å; F270-F356 AromaticContact CE2-CE1 3.53Å; F270-F356 HydrophobicContact CE2-CE1 3.53Å; F270-F356 HydrophobicContact CE2-CE2 4.3Å; F270-F356 AromaticContact CE2-CZ 3.26Å; F270-F356 HydrophobicContact CE2-CZ 3.26Å; F270-F356 HydrophobicContact CZ-CE1 4.03Å; F270-F356 HydrophobicContact CZ-CZ 4.02Å; F354-F356 HydrophobicContact CD2-CB 4.29Å; F354-F356 HydrophobicContact CD2-CD1 4.31Å; F354-F356 HydrophobicContact CE2-CB 4.16Å; F354-F356 AromaticContact CE2-CD1 3.95Å; F354-F356 HydrophobicContact CE2-CD1 3.95Å; F354-F356 HydrophobicContact CE2-CG 4.45Å; F356-I369 CarbonylContact O-C 3.53Å; F356-I369 WeakPolarHBondContact O-CA 3.42Å; F356-I369 WeakPolarHBondContact O-CG1 3.49Å; F356-G370 PolarHBondContact N-O 2.97Å; F356-G370 PolarHBondContact O-N 3.04Å |
| 357 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 145.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | M226 Y227 F253 V366 F368 I369 | M226-A357 CarbonylContact C-O 3.38Å; M226-A357 WeakPolarHBondContact CA-O 3.49Å; Y227-A357 PolarHBondContact N-O 3.46Å; Y227-A357 PolarHBondContact O-N 2.97Å; F253-A357 HydrophobicContact CE2-CB 3.97Å; F253-A357 HydrophobicContact CZ-CB 3.68Å; A357-V366 HydrophobicContact CB-CG1 4.46Å; A357-F368 CarbonylContact C-O 3.56Å; A357-F368 WeakPolarHBondContact CA-O 3.14Å; A357-F368 WeakPolarHBondContact CB-O 3.28Å; A357-I369 HydrophobicContact CB-CB 4.31Å; A357-I369 HydrophobicContact CB-CD1 4.42Å; A357-I369 HydrophobicContact CB-CG1 4.05Å |
| 358 | I | 96 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 120.6 | 165.5 | -62.2 | 168.3 | 0 | 0 | 0 | 107.6 | F167 Y219 L224 L225 M226 I316 L367 F368 | F167-I358 HydrophobicContact CD1-CD1 3.53Å; F167-I358 HydrophobicContact CE1-CD1 3.36Å; F167-I358 HydrophobicContact CZ-CD1 4.22Å; Y219-I358 HydrophobicContact CE2-CD1 4.31Å; Y219-I358 HydrophobicContact CE2-CG1 4.18Å; Y219-I358 HydrophobicContact CE2-CG2 4.27Å; L224-I358 HydrophobicContact CD2-CG2 4.2Å; L225-I358 WeakPolarHBondContact O-CA 3.38Å; M226-I358 HydrophobicContact CB-CG1 4.35Å; M226-I358 HydrophobicContact CG-CG1 4.22Å; I316-I358 HydrophobicContact CD1-CD1 3.39Å; I316-I358 HydrophobicContact CD1-CG1 4.32Å; I316-I358 HydrophobicContact CG1-CD1 4.42Å; I358-L367 HydrophobicContact CG2-CB 4.38Å; I358-L367 HydrophobicContact CG2-CD2 4.48Å; I358-L367 PolarHBondContact O-N 3.27Å; I358-F368 HydrophobicContact CB-CB 4.21Å; I358-F368 HydrophobicContact CB-CD2 4.21Å; I358-F368 HydrophobicContact CD1-CB 4.27Å; I358-F368 HydrophobicContact CD1-CD2 3.71Å; I358-F368 HydrophobicContact CD1-CE2 4.48Å; I358-F368 HydrophobicContact CD1-CG 4.34Å; I358-F368 HydrophobicContact CG1-CB 4.42Å; I358-F368 HydrophobicContact CG1-CD2 4.48Å; I358-F368 PolarHBondContact N-O 2.92Å; I358-F368 PolarHBondContact O-N 3.22Å |
| 359 | M | 96 | Very high | 96.1 | Very high | 5 Ų | 5 | 15 Ų | 15 | 3% | 0.025 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.8 | 176.2 | -173.3 | 65.3 | -171.7 | 0 | 0 | 109.5 | D4 L224 L225 Y227 L250 I365 V366 | D4-M359 HydrophobicContact CB-CE 3.82Å; L224-M359 WeakPolarHBondContact CA-O 3.49Å; L225-M359 PolarHBondContact N-O 3.09Å; L225-M359 VanDerWaalsContact N-O 3.09Å; L225-M359 PolarHBondContact O-N 2.66Å; Y227-M359 HydrophobicContact CD2-CB 3.98Å; Y227-M359 HydrophobicContact CE2-CB 3.84Å; Y227-M359 HydrophobicContact CE2-CG 4.46Å; L250-M359 HydrophobicContact CD2-CE 4.27Å; L250-M359 HydrophobicContact CD2-SD 4.19Å; M359-I365 VanDerWaalsContact SD-C 3.54Å; M359-V366 HydrophobicContact SD-CG2 4.14Å |
| 360 | D | 93.6 | Very high | 96 | Very high | 8 Ų | 8 | 12.1 Ų | 12.1 | 4% | 0.043 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 102.6 | 163.2 | 174.8 | -10.8 | 0 | 0 | 0 | 107.7 | L76 L224 S362 N363 G364 I365 | L76-D360 VanDerWaalsContact CD2-OD2 3.29Å; L76-D360 WeakPolarHBondContact CD2-OD2 3.34Å; L224-D360 HydrophobicContact CD2-CB 3.63Å; D360-S362 VanDerWaalsContact C-N 3.34Å; D360-S362 WeakPolarHBondContact OD1-CA 3.43Å; D360-S362 VanDerWaalsContact OD1-CB 3.3Å; D360-S362 WeakPolarHBondContact OD1-CB 3.27Å; D360-S362 PolarHBondContact OD1-N 3.18Å; D360-N363 PolarHBondContact OD1-N 3.26Å; D360-N363 WeakPolarHBondContact OD2-CB 3.44Å; D360-N363 PolarHBondContact OD2-ND2 3.29Å; D360-G364 WeakPolarHBondContact O-CA 3.18Å; D360-G364 PolarHBondContact O-N 2.94Å; D360-I365 HydrophobicContact CB-CD1 4.29Å; D360-I365 HydrophobicContact CB-CG1 3.68Å; D360-I365 PolarHBondContact N-O 2.85Å; D360-I365 PolarHBondContact O-N 2.93Å |
| 361 | H | 93.2 | Very high | 95.9 | Very high | 62 Ų | 62 | 12.1 Ų | 12.1 | 29% | 0.287 | 7% | 0.073 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -26 | -179.7 | -69.9 | -78.5 | 0 | 0 | 0 | 112.4 | N223 Y227 G364 | N223-H361 HydrophobicContact CB-CB 4.02Å; N223-H361 WeakPolarHBondContact O-CB 3.31Å; N223-H361 PolarHBondContact O-CD2 2.92Å; N223-H361 PolarHBondContact O-N 3.45Å; Y227-H361 AromaticContact CE2-NE2 3.52Å; Y227-H361 AromaticContact CZ-NE2 3.74Å; Y227-H361 PolarHBondContact OH-CE1 3.3Å; Y227-H361 PolarHBondContact OH-NE2 3.17Å; H361-G364 PolarHBondContact O-N 2.76Å |
| 362 | S | 90.2 | Very high | 95.8 | Very high | 72 Ų | 72 | 11.4 Ų | 11.4 | 50% | 0.503 | 7% | 0.068 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -43.6 | 176.6 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | N223 D360 | N223-S362 WeakPolarHBondContact CB-OG 3.32Å; N223-S362 PolarHBondContact ND2-OG 2.95Å; D360-S362 VanDerWaalsContact C-N 3.34Å; D360-S362 WeakPolarHBondContact OD1-CA 3.43Å; D360-S362 VanDerWaalsContact OD1-CB 3.3Å; D360-S362 WeakPolarHBondContact OD1-CB 3.27Å; D360-S362 PolarHBondContact OD1-N 3.18Å |
| 363 | N | 91.5 | Very high | 95.7 | Very high | 37 Ų | 37 | 11.3 Ų | 11.3 | 20% | 0.198 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -8.5 | 180 | -70.2 | -64.6 | 0 | 0 | 0 | 113.5 | A72 S75 D360 I365 | A72-N363 WeakPolarHBondContact CA-OD1 3.37Å; A72-N363 HydrophobicContact CB-CB 4.05Å; S75-N363 WeakPolarHBondContact CB-OD1 3.38Å; S75-N363 PolarHBondContact OG-ND2 2.9Å; S75-N363 PolarHBondContact OG-OD1 2.84Å; D360-N363 PolarHBondContact OD1-N 3.26Å; D360-N363 WeakPolarHBondContact OD2-CB 3.44Å; D360-N363 PolarHBondContact OD2-ND2 3.29Å; N363-I365 HydrophobicContact CB-CD1 4.07Å; N363-I365 HydrophobicContact CB-CG1 4.04Å; N363-I365 HydrophobicContact CB-CG2 4.38Å |
| 364 | G | 93 | Very high | 95.2 | Very high | 18 Ų | 18 | 11.6 Ų | 11.6 | 19% | 0.186 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 57.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L3 D4 D360 H361 | L3-G364 CarbonylContact C-O 3.52Å; L3-G364 VanDerWaalsContact C-O 3.29Å; D4-G364 WeakPolarHBondContact CA-O 3.14Å; D4-G364 VanDerWaalsContact CB-O 3.26Å; D4-G364 WeakPolarHBondContact CB-O 3.28Å; D4-G364 PolarHBondContact N-O 2.9Å; D360-G364 WeakPolarHBondContact O-CA 3.18Å; D360-G364 PolarHBondContact O-N 2.94Å; H361-G364 PolarHBondContact O-N 2.76Å |
| 365 | I | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 139.9 | 179.7 | 60.5 | 179.3 | 0 | 0 | 0 | 111.9 | L3 T7 F30 A72 L76 M359 D360 N363 L367 | L3-I365 HydrophobicContact CB-CG2 4.32Å; L3-I365 HydrophobicContact CD2-CG2 3.36Å; L3-I365 HydrophobicContact CG-CG2 3.62Å; T7-I365 HydrophobicContact CG2-CB 4.4Å; T7-I365 HydrophobicContact CG2-CG2 4.41Å; F30-I365 HydrophobicContact CB-CB 4.5Å; F30-I365 HydrophobicContact CB-CD1 4.37Å; F30-I365 HydrophobicContact CD1-CD1 3.87Å; F30-I365 HydrophobicContact CD2-CB 4.24Å; F30-I365 HydrophobicContact CD2-CD1 3.95Å; F30-I365 HydrophobicContact CD2-CG2 3.83Å; F30-I365 HydrophobicContact CE1-CD1 4.16Å; F30-I365 HydrophobicContact CE2-CD1 4.22Å; F30-I365 HydrophobicContact CE2-CG2 4.19Å; F30-I365 HydrophobicContact CG-CB 4.44Å; F30-I365 HydrophobicContact CG-CD1 3.77Å; F30-I365 HydrophobicContact CG-CG2 4.49Å; F30-I365 HydrophobicContact CZ-CD1 4.32Å; A72-I365 HydrophobicContact CB-CG2 4.4Å; L76-I365 HydrophobicContact CD1-CD1 3.75Å; L76-I365 HydrophobicContact CG-CD1 4.36Å; M359-I365 VanDerWaalsContact SD-C 3.54Å; D360-I365 HydrophobicContact CB-CD1 4.29Å; D360-I365 HydrophobicContact CB-CG1 3.68Å; D360-I365 PolarHBondContact N-O 2.85Å; D360-I365 PolarHBondContact O-N 2.93Å; N363-I365 HydrophobicContact CB-CD1 4.07Å; N363-I365 HydrophobicContact CB-CG1 4.04Å; N363-I365 HydrophobicContact CB-CG2 4.38Å; I365-L367 HydrophobicContact CD1-CD1 4.35Å; I365-L367 PolarHBondContact O-N 3.15Å; I365-L367 VanDerWaalsContact O-N 3.16Å |
| 366 | V | 96.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 101 | 160.5 | -178.5 | 0 | 0 | 0 | 0 | 106.9 | T7 A8 P29 L250 A357 M359 F368 I369 | T7-V366 PolarHBondContact OG1-N 3.18Å; T7-V366 VanDerWaalsContact OG1-N 3.08Å; A8-V366 HydrophobicContact CB-CG2 3.89Å; P29-V366 HydrophobicContact CG-CB 4.22Å; P29-V366 HydrophobicContact CG-CG1 4Å; P29-V366 VanDerWaalsContact CG-O 3.32Å; P29-V366 WeakPolarHBondContact CG-O 3.34Å; L250-V366 HydrophobicContact CD2-CG2 4.38Å; A357-V366 HydrophobicContact CB-CG1 4.46Å; M359-V366 HydrophobicContact SD-CG2 4.14Å; V366-F368 WeakPolarHBondContact CG1-O 3.4Å; V366-I369 HydrophobicContact CG1-CB 3.99Å |
| 367 | L | 95.2 | Very high | 89 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | -42.6 | -178.6 | -175.7 | 62.5 | 0 | 0 | 0 | 110.3 | S28 F30 L76 I165 F167 I358 I365 | S28-L367 VanDerWaalsContact CA-O 3.27Å; S28-L367 WeakPolarHBondContact CA-O 3.33Å; S28-L367 WeakPolarHBondContact CB-O 3.43Å; S28-L367 PolarHBondContact OG-O 2.7Å; F30-L367 HydrophobicContact CD1-CD1 4.25Å; L76-L367 HydrophobicContact CD1-CD1 3.96Å; I165-L367 HydrophobicContact CD1-CD1 4.09Å; F167-L367 HydrophobicContact CD2-CD2 4.2Å; F167-L367 HydrophobicContact CE2-CD2 4.31Å; I358-L367 HydrophobicContact CG2-CB 4.38Å; I358-L367 HydrophobicContact CG2-CD2 4.48Å; I358-L367 PolarHBondContact O-N 3.27Å; I365-L367 HydrophobicContact CD1-CD1 4.35Å; I365-L367 PolarHBondContact O-N 3.15Å; I365-L367 VanDerWaalsContact O-N 3.16Å |
| 368 | F | 96.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 151.7 | 175.8 | -65.8 | -82.2 | 0 | 0 | 0 | 111.4 | F26 I27 I165 F167 A314 A357 I358 V366 | F26-F368 AromaticContact CE1-CD1 3.84Å; F26-F368 HydrophobicContact CE1-CD1 3.84Å; F26-F368 HydrophobicContact CE1-CE1 4.08Å; F26-F368 HydrophobicContact CE2-CB 3.63Å; F26-F368 AromaticContact CE2-CD1 3.68Å; F26-F368 HydrophobicContact CE2-CD1 3.68Å; F26-F368 AromaticContact CE2-CG 3.96Å; F26-F368 HydrophobicContact CE2-CG 3.96Å; F26-F368 HydrophobicContact CZ-CB 3.92Å; F26-F368 AromaticContact CZ-CD1 3.06Å; F26-F368 HydrophobicContact CZ-CD1 3.06Å; F26-F368 AromaticContact CZ-CE1 3.62Å; F26-F368 HydrophobicContact CZ-CE1 3.62Å; F26-F368 AromaticContact CZ-CG 3.69Å; F26-F368 HydrophobicContact CZ-CG 3.69Å; I27-F368 WeakPolarHBondContact O-CA 3.38Å; I165-F368 HydrophobicContact CD1-CE1 4.03Å; I165-F368 HydrophobicContact CD1-CE2 4.17Å; I165-F368 HydrophobicContact CD1-CZ 3.54Å; I165-F368 HydrophobicContact CG1-CE1 4.16Å; I165-F368 HydrophobicContact CG1-CZ 3.68Å; I165-F368 HydrophobicContact CG2-CE1 3.86Å; I165-F368 HydrophobicContact CG2-CZ 4.28Å; F167-F368 HydrophobicContact CB-CD2 4.3Å; F167-F368 HydrophobicContact CB-CE2 3.21Å; F167-F368 HydrophobicContact CB-CZ 3.35Å; F167-F368 HydrophobicContact CD1-CD2 4.5Å; F167-F368 HydrophobicContact CD1-CE2 4.1Å; F167-F368 HydrophobicContact CD2-CE2 4.17Å; F167-F368 HydrophobicContact CG-CD2 4.38Å; F167-F368 AromaticContact CG-CE2 3.59Å; F167-F368 HydrophobicContact CG-CE2 3.59Å; F167-F368 HydrophobicContact CG-CZ 4.23Å; A314-F368 HydrophobicContact CB-CE1 4.28Å; A357-F368 CarbonylContact C-O 3.56Å; A357-F368 WeakPolarHBondContact CA-O 3.14Å; A357-F368 WeakPolarHBondContact CB-O 3.28Å; I358-F368 HydrophobicContact CB-CB 4.21Å; I358-F368 HydrophobicContact CB-CD2 4.21Å; I358-F368 HydrophobicContact CD1-CB 4.27Å; I358-F368 HydrophobicContact CD1-CD2 3.71Å; I358-F368 HydrophobicContact CD1-CE2 4.48Å; I358-F368 HydrophobicContact CD1-CG 4.34Å; I358-F368 HydrophobicContact CG1-CB 4.42Å; I358-F368 HydrophobicContact CG1-CD2 4.48Å; I358-F368 PolarHBondContact N-O 2.92Å; I358-F368 PolarHBondContact O-N 3.22Å; V366-F368 WeakPolarHBondContact CG1-O 3.4Å |
| 369 | I | 97.7 | Very high | 85.6 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 149.4 | 170.5 | -166.7 | 165.2 | 0 | 0 | 0 | 110.4 | A11 F26 I27 P29 L249 L355 F356 A357 V366 | A11-I369 HydrophobicContact CB-CG2 3.44Å; A11-I369 VanDerWaalsContact CB-CG2 3.44Å; F26-I369 WeakPolarHBondContact CA-O 2.96Å; I27-I369 HydrophobicContact CD1-CG2 4.43Å; I27-I369 HydrophobicContact CG1-CG2 3.91Å; I27-I369 PolarHBondContact N-O 3.24Å; I27-I369 PolarHBondContact O-N 3.05Å; P29-I369 HydrophobicContact CG-CG2 4.33Å; L249-I369 HydrophobicContact CD2-CD1 3.59Å; L355-I369 HydrophobicContact CD1-CD1 4.13Å; L355-I369 HydrophobicContact CD1-CG1 4.39Å; L355-I369 HydrophobicContact CG-CG1 4.4Å; F356-I369 CarbonylContact O-C 3.53Å; F356-I369 WeakPolarHBondContact O-CA 3.42Å; F356-I369 WeakPolarHBondContact O-CG1 3.49Å; A357-I369 HydrophobicContact CB-CB 4.31Å; A357-I369 HydrophobicContact CB-CD1 4.42Å; A357-I369 HydrophobicContact CB-CG1 4.05Å; V366-I369 HydrophobicContact CG1-CB 3.99Å |
| 370 | G | 96 | Very high | 85 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 178.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F25 L355 F356 | F25-G370 CarbonylContact O-C 3.5Å; F25-G370 WeakPolarHBondContact O-CA 3.39Å; L355-G370 WeakPolarHBondContact CA-O 3.3Å; F356-G370 PolarHBondContact N-O 2.97Å; F356-G370 PolarHBondContact O-N 3.04Å |
| 371 | V | 97.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 143.2 | 167.4 | -66.4 | 0 | 0 | 0 | 0 | 109.2 | Y15 S24 F25 L237 M241 F354 L355 Y373 | Y15-V371 HydrophobicContact CD2-CG2 4.39Å; Y15-V371 HydrophobicContact CE2-CB 4.41Å; Y15-V371 HydrophobicContact CE2-CG1 3.88Å; Y15-V371 HydrophobicContact CE2-CG2 3.57Å; S24-V371 VanDerWaalsContact CA-O 3.23Å; S24-V371 WeakPolarHBondContact CA-O 3.35Å; S24-V371 WeakPolarHBondContact CB-O 3.44Å; F25-V371 HydrophobicContact CB-CG2 3.9Å; F25-V371 PolarHBondContact N-O 3.16Å; F25-V371 PolarHBondContact O-N 3.35Å; L237-V371 HydrophobicContact CD1-CG1 4.36Å; L237-V371 HydrophobicContact CD2-CB 3.87Å; L237-V371 HydrophobicContact CD2-CG1 3.92Å; L237-V371 HydrophobicContact CG-CG1 4.47Å; M241-V371 HydrophobicContact CE-CG1 4.32Å; M241-V371 HydrophobicContact CG-CG1 4.41Å; M241-V371 HydrophobicContact SD-CG1 4.1Å; F354-V371 VanDerWaalsContact O-CA 3.32Å; F354-V371 WeakPolarHBondContact O-CA 3.34Å; L355-V371 HydrophobicContact CB-CG1 4.39Å; V371-Y373 HydrophobicContact CB-CD2 4.48Å; V371-Y373 HydrophobicContact CB-CE2 4.2Å; V371-Y373 HydrophobicContact CG2-CD2 4.13Å; V371-Y373 HydrophobicContact CG2-CE2 3.86Å |
| 372 | Y | 96.2 | Very high | 84 | Confident | 11 Ų | 11 | 33.3 Ų | 33.3 | 4% | 0.043 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 128.3 | -179.9 | -178.2 | -101.9 | 0 | 0 | 0 | 110.2 | F185 P266 F268 F270 P353 F354 G374 | F185-Y372 HydrophobicContact CD2-CD1 4.43Å; F185-Y372 AromaticContact CD2-CE1 3.9Å; F185-Y372 HydrophobicContact CD2-CE1 3.9Å; F185-Y372 HydrophobicContact CE1-CD1 4.3Å; F185-Y372 HydrophobicContact CE1-CE1 4.21Å; F185-Y372 AromaticContact CE2-CD1 3.58Å; F185-Y372 HydrophobicContact CE2-CD1 3.58Å; F185-Y372 AromaticContact CE2-CE1 3.49Å; F185-Y372 HydrophobicContact CE2-CE1 3.49Å; F185-Y372 VanDerWaalsContact CE2-CE1 3.49Å; F185-Y372 HydrophobicContact CG-CE1 4.4Å; F185-Y372 AromaticContact CZ-CD1 3.48Å; F185-Y372 HydrophobicContact CZ-CD1 3.48Å; F185-Y372 VanDerWaalsContact CZ-CD1 3.48Å; F185-Y372 AromaticContact CZ-CE1 3.65Å; F185-Y372 HydrophobicContact CZ-CE1 3.65Å; P266-Y372 HydrophobicContact CB-CE1 3.88Å; P266-Y372 HydrophobicContact CG-CD1 4.44Å; P266-Y372 HydrophobicContact CG-CE1 3.8Å; F268-Y372 HydrophobicContact CB-CD2 4.13Å; F268-Y372 HydrophobicContact CB-CE2 3.53Å; F268-Y372 HydrophobicContact CD1-CD2 4.05Å; F268-Y372 HydrophobicContact CD1-CE2 4Å; F268-Y372 HydrophobicContact CD2-CD2 4.49Å; F268-Y372 AromaticContact CG-CD2 3.99Å; F268-Y372 HydrophobicContact CG-CD2 3.99Å; F268-Y372 AromaticContact CG-CE2 3.86Å; F268-Y372 HydrophobicContact CG-CE2 3.86Å; F270-Y372 HydrophobicContact CE2-CD2 4.17Å; F270-Y372 AromaticContact CZ-CD2 3.87Å; F270-Y372 HydrophobicContact CZ-CD2 3.87Å; P353-Y372 WeakPolarHBondContact CA-O 3.5Å; P353-Y372 WeakPolarHBondContact CB-O 3.35Å; F354-Y372 HydrophobicContact CD1-CD1 4.27Å; F354-Y372 AromaticContact CE1-CD1 3.41Å; F354-Y372 HydrophobicContact CE1-CD1 3.41Å; F354-Y372 VanDerWaalsContact CE1-CD1 3.41Å; F354-Y372 HydrophobicContact CE1-CE1 4.23Å; F354-Y372 HydrophobicContact CE1-CG 4.02Å; F354-Y372 HydrophobicContact CE2-CG 4.35Å; F354-Y372 AromaticContact CZ-CD1 3.58Å; F354-Y372 HydrophobicContact CZ-CD1 3.58Å; F354-Y372 HydrophobicContact CZ-CE1 4.44Å; F354-Y372 AromaticContact CZ-CG 3.74Å; F354-Y372 HydrophobicContact CZ-CG 3.74Å; F354-Y372 PolarHBondContact N-O 3.2Å; F354-Y372 PolarHBondContact O-N 2.73Å; Y372-G374 VanDerWaalsContact CE1-CA 3.41Å; Y372-G374 VanDerWaalsContact CE1-N 3.32Å; Y372-G374 WeakPolarHBondContact OH-CA 3.26Å; Y372-G374 PolarHBondContact OH-O 3.05Å |
| 373 | Y | 95.5 | Very high | 83.7 | Confident | 10 Ų | 10 | 30.9 Ų | 30.9 | 4% | 0.039 | 21% | 0.213 | C | C | . | . | trans | -122.7 | 30.7 | 176.8 | -80.4 | -92.7 | 0 | 0 | 0 | 111.7 | N22 H23 S24 F185 V187 L237 P353 V371 S375 | N22-Y373 HydrophobicContact CB-CD1 4.17Å; N22-Y373 HydrophobicContact CB-CE1 4.14Å; H23-Y373 VanDerWaalsContact O-CD2 3.25Å; H23-Y373 WeakPolarHBondContact O-CD2 3.46Å; S24-Y373 PolarHBondContact OG-N 2.78Å; F185-Y373 VanDerWaalsContact CE1-C 3.44Å; V187-Y373 VanDerWaalsContact CG1-O 3.3Å; V187-Y373 WeakPolarHBondContact CG1-O 3.41Å; V187-Y373 WeakPolarHBondContact CG2-O 3.46Å; L237-Y373 HydrophobicContact CD2-CD2 4.43Å; L237-Y373 HydrophobicContact CD2-CE1 4.49Å; L237-Y373 HydrophobicContact CD2-CE2 3.63Å; P353-Y373 HydrophobicContact CB-CD1 3.67Å; P353-Y373 HydrophobicContact CB-CD2 4.45Å; P353-Y373 HydrophobicContact CB-CE1 3.56Å; P353-Y373 HydrophobicContact CB-CE2 4.38Å; P353-Y373 HydrophobicContact CB-CG 4.13Å; P353-Y373 HydrophobicContact CG-CD1 3.32Å; P353-Y373 HydrophobicContact CG-CE1 3.48Å; P353-Y373 VanDerWaalsContact CG-CE1 3.48Å; P353-Y373 HydrophobicContact CG-CG 4.09Å; V371-Y373 HydrophobicContact CB-CD2 4.48Å; V371-Y373 HydrophobicContact CB-CE2 4.2Å; V371-Y373 HydrophobicContact CG2-CD2 4.13Å; V371-Y373 HydrophobicContact CG2-CE2 3.86Å; Y373-S375 VanDerWaalsContact C-N 3.32Å; Y373-S375 PolarHBondContact O-N 2.86Å | ||
| 374 | G | 88.5 | Confident | 83.1 | Confident | 8 Ų | 8 | 30.5 Ų | 30.5 | 8% | 0.082 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 83.9 | -12.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | F185 Y372 | F185-G374 VanDerWaalsContact CD1-CA 3.44Å; F185-G374 VanDerWaalsContact CE1-CA 3.49Å; F185-G374 VanDerWaalsContact CE1-N 3.27Å; Y372-G374 VanDerWaalsContact CE1-CA 3.41Å; Y372-G374 VanDerWaalsContact CE1-N 3.32Å; Y372-G374 WeakPolarHBondContact OH-CA 3.26Å; Y372-G374 PolarHBondContact OH-O 3.05Å |
| 375 | S | 69 | Low | 82.4 | Confident | 40 Ų | 40 | 31.4 Ų | 31.4 | 28% | 0.28 | 22% | 0.216 | S | C | . | . | trans | -145.7 | 159 | 178.6 | 59.3 | 0 | 0 | 0 | 0 | 114.5 | S24 K193 Y373 | S24-S375 PolarHBondContact OG-O 3.36Å; K193-S375 PolarHBondContact NZ-OG 3.32Å; Y373-S375 VanDerWaalsContact C-N 3.32Å; Y373-S375 PolarHBondContact O-N 2.86Å | ||
| 376 | I | 54.1 | Low | 81.5 | Confident | 113 Ų | 113 | 33.8 Ų | 33.8 | 58% | 0.579 | 23% | 0.233 | S | C | * | . | trans | -81 | 129.2 | 160 | -58.1 | 167.8 | 0 | 0 | 0 | 106.9 | A378 | I376-A378 HydrophobicContact CG2-CB 4.39Å; I376-A378 PolarHBondContact O-N 3.11Å | ||
| 377 | S | 39.5 | Very low | 80.2 | Confident | 80 Ų | 80 | 36.5 Ų | 36.5 | 56% | 0.559 | 25% | 0.252 | S | S | * | . | trans | -72.5 | 105.1 | 144.8 | 46.6 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 378 | A | 37.2 | Very low | 78.8 | Confident | 165 Ų | 165 | 39.8 Ų | 39.8 | 100% | 1.364 | 27% | 0.274 | S | S | * | . | trans | -81.4 | 0 | 157.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | I376 | I376-A378 HydrophobicContact CG2-CB 4.39Å; I376-A378 PolarHBondContact O-N 3.11Å |
Retrieved 378 of 378 residues in 658.8 ms
(Link to these results)