| 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 | 33.5 | Very low | 33.3 | Very low | 78 Ų | 78 | 67.4 Ų | 67.4 | 38% | 0.384 | 40% | 0.404 | S | S | . | . | 0 | -65 | 0 | -103 | -160.7 | 141.6 | 0 | 0 | 111.4 | S3 I4 E5 M96 R97 | M1-S3 PolarHBondContact O-N 3.41Å; M1-I4 WeakPolarHBondContact O-CA 3.48Å; M1-I4 WeakPolarHBondContact O-CB 3.48Å; M1-I4 PolarHBondContact O-N 3.21Å; M1-E5 PolarHBondContact O-N 3.36Å; M1-M96 HydrophobicContact CE-CB 3.43Å; M1-M96 VanDerWaalsContact CE-CB 3.43Å; M1-M96 HydrophobicContact CE-CG 3.55Å; M1-M96 HydrophobicContact SD-CB 3.85Å; M1-M96 HydrophobicContact SD-CG 3.75Å; M1-R97 HydrophobicContact CE-CG 3.88Å | |||
| 2 | A | 32.5 | Very low | 33.8 | Very low | 10 Ų | 10 | 64.3 Ų | 64.3 | 8% | 0.083 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.6 | -34.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I4 E5 T6 F11 | A2-I4 PolarHBondContact O-N 3.31Å; A2-E5 PolarHBondContact O-N 2.85Å; A2-E5 VanDerWaalsContact O-N 3.09Å; A2-T6 PolarHBondContact O-N 3.05Å; A2-T6 PolarHBondContact O-OG1 3.23Å; A2-F11 HydrophobicContact CB-CB 3.91Å; A2-F11 HydrophobicContact CB-CD1 3.06Å; A2-F11 HydrophobicContact CB-CD2 3.9Å; A2-F11 HydrophobicContact CB-CE1 3.33Å; A2-F11 HydrophobicContact CB-CE2 4.15Å; A2-F11 HydrophobicContact CB-CG 3.34Å; A2-F11 HydrophobicContact CB-CZ 3.88Å |
| 3 | S | 32.2 | Very low | 34 | Very low | 23 Ų | 23 | 68.8 Ų | 68.8 | 16% | 0.161 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62 | -25.4 | 171.7 | 69.8 | 0 | 0 | 0 | 0 | 115.3 | M1 G7 S8 T12 | M1-S3 PolarHBondContact O-N 3.41Å; S3-G7 CarbonylContact O-C 3.57Å; S3-G7 WeakPolarHBondContact O-CA 3.17Å; S3-G7 PolarHBondContact O-N 3.43Å; S3-S8 WeakPolarHBondContact CA-O 3.42Å; S3-S8 WeakPolarHBondContact CB-O 3.3Å; S3-S8 PolarHBondContact O-N 2.75Å; S3-T12 WeakPolarHBondContact CB-OG1 3.17Å |
| 4 | I | 34.8 | Very low | 34.3 | Very low | 105 Ų | 105 | 68 Ų | 68 | 54% | 0.538 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -85.3 | -30.8 | 175.1 | -60.3 | 173.9 | 0 | 0 | 0 | 110 | M1 A2 | M1-I4 WeakPolarHBondContact O-CA 3.48Å; M1-I4 WeakPolarHBondContact O-CB 3.48Å; M1-I4 PolarHBondContact O-N 3.21Å; A2-I4 PolarHBondContact O-N 3.31Å |
| 5 | E | 34.3 | Very low | 34.7 | Very low | 131 Ų | 131 | 66.1 Ų | 66.1 | 61% | 0.612 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -79.6 | -36.4 | 177 | -80.6 | -176.2 | 168.5 | 0 | 0 | 114 | M1 A2 R97 | M1-E5 PolarHBondContact O-N 3.36Å; A2-E5 PolarHBondContact O-N 2.85Å; A2-E5 VanDerWaalsContact O-N 3.09Å; E5-R97 VanDerWaalsContact CG-NH2 3.29Å; E5-R97 IonicContact OE1-NH2 3.91Å; E5-R97 PolarHBondContact OE1-NH2 2.96Å |
| 6 | T | 33.4 | Very low | 35.2 | Very low | 85 Ų | 85 | 62.5 Ų | 62.5 | 52% | 0.521 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -93.7 | -5.6 | 176.9 | 59.5 | 0 | 0 | 0 | 0 | 112.5 | A2 S8 | A2-T6 PolarHBondContact O-N 3.05Å; A2-T6 PolarHBondContact O-OG1 3.23Å; T6-S8 PolarHBondContact O-N 2.7Å; T6-S8 WeakPolarHBondContact OG1-CB 3.41Å; T6-S8 PolarHBondContact OG1-N 2.96Å |
| 7 | G | 30.4 | Very low | 35.4 | Very low | 61 Ų | 61 | 61.8 Ų | 61.8 | 63% | 0.629 | 37% | 0.367 | S | S | * | . | trans | 59.3 | 10.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S3 | S3-G7 CarbonylContact O-C 3.57Å; S3-G7 WeakPolarHBondContact O-CA 3.17Å; S3-G7 PolarHBondContact O-N 3.43Å | ||
| 8 | S | 31.9 | Very low | 35.7 | Very low | 25 Ų | 25 | 61.7 Ų | 61.7 | 18% | 0.175 | 36% | 0.364 | C | S | . | . | trans | -110.3 | 116.5 | -166.3 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | S3 T6 C10 F11 | S3-S8 WeakPolarHBondContact CA-O 3.42Å; S3-S8 WeakPolarHBondContact CB-O 3.3Å; S3-S8 PolarHBondContact O-N 2.75Å; T6-S8 PolarHBondContact O-N 2.7Å; T6-S8 WeakPolarHBondContact OG1-CB 3.41Å; T6-S8 PolarHBondContact OG1-N 2.96Å; S8-C10 PolarHBondContact O-N 2.76Å; S8-C10 WeakPolarHBondContact OG-CB 3.42Å; S8-C10 PolarHBondContact OG-N 3.42Å; S8-C10 VanDerWaalsContact OG-N 3.13Å; S8-F11 PolarHBondContact O-N 3.22Å; S8-F11 VanDerWaalsContact O-N 3.17Å | ||
| 9 | S | 34.6 | Very low | 36 | Very low | 72 Ų | 72 | 58.7 Ų | 58.7 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -51.8 | -31.2 | 164.1 | 49.7 | 0 | 0 | 0 | 0 | 111.2 | F11 T12 E13 | S9-F11 PolarHBondContact O-N 2.67Å; S9-F11 VanDerWaalsContact O-N 3.11Å; S9-T12 PolarHBondContact O-N 3.06Å; S9-T12 PolarHBondContact O-OG1 2.88Å; S9-E13 WeakPolarHBondContact O-CB 3.49Å; S9-E13 PolarHBondContact O-N 2.91Å |
| 10 | C | 33.7 | Very low | 36.1 | Very low | 72 Ų | 72 | 59.7 Ų | 59.7 | 49% | 0.486 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.1 | -27.9 | 179.1 | -55.1 | 0 | 0 | 0 | 0 | 112.9 | S8 C14 | S8-C10 PolarHBondContact O-N 2.76Å; S8-C10 WeakPolarHBondContact OG-CB 3.42Å; S8-C10 PolarHBondContact OG-N 3.42Å; S8-C10 VanDerWaalsContact OG-N 3.13Å; C10-C14 WeakPolarHBondContact O-CA 3.22Å; C10-C14 WeakPolarHBondContact O-CB 3.06Å; C10-C14 PolarHBondContact O-N 3.25Å; C10-C14 PolarHBondContact O-SG 3.09Å |
| 11 | F | 34.9 | Very low | 36.2 | Very low | 79 Ų | 79 | 61.6 Ų | 61.6 | 35% | 0.346 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -77.6 | -36.9 | 176.3 | -155.6 | -78 | 0 | 0 | 0 | 112 | A2 S8 S9 C14 L15 F68 | A2-F11 HydrophobicContact CB-CB 3.91Å; A2-F11 HydrophobicContact CB-CD1 3.06Å; A2-F11 HydrophobicContact CB-CD2 3.9Å; A2-F11 HydrophobicContact CB-CE1 3.33Å; A2-F11 HydrophobicContact CB-CE2 4.15Å; A2-F11 HydrophobicContact CB-CG 3.34Å; A2-F11 HydrophobicContact CB-CZ 3.88Å; S8-F11 PolarHBondContact O-N 3.22Å; S8-F11 VanDerWaalsContact O-N 3.17Å; S9-F11 PolarHBondContact O-N 2.67Å; S9-F11 VanDerWaalsContact O-N 3.11Å; F11-C14 CarbonylContact O-C 3.38Å; F11-C14 PolarHBondContact O-N 3.04Å; F11-L15 HydrophobicContact CD1-CB 4.47Å; F11-L15 HydrophobicContact CD1-CD1 4.12Å; F11-L15 HydrophobicContact CE1-CD1 3.62Å; F11-L15 WeakPolarHBondContact O-CB 3.43Å; F11-L15 PolarHBondContact O-N 3.01Å; F11-F68 HydrophobicContact CE1-CE2 4.49Å; F11-F68 HydrophobicContact CZ-CE2 4.48Å; F11-F68 HydrophobicContact CZ-CZ 4.47Å |
| 12 | T | 39 | Very low | 36.3 | Very low | 30 Ų | 30 | 61.8 Ų | 61.8 | 18% | 0.184 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -72.6 | -34.9 | 174.2 | -3.2 | 0 | 0 | 0 | 0 | 111.8 | S3 S9 L15 G16 Y39 | S3-T12 WeakPolarHBondContact CB-OG1 3.17Å; S9-T12 PolarHBondContact O-N 3.06Å; S9-T12 PolarHBondContact O-OG1 2.88Å; T12-L15 PolarHBondContact O-N 3.34Å; T12-G16 WeakPolarHBondContact O-CA 3.45Å; T12-G16 PolarHBondContact O-N 3.45Å; T12-Y39 WeakPolarHBondContact CG2-OH 3.28Å |
| 13 | E | 37.4 | Very low | 36.7 | Very low | 123 Ų | 123 | 62.7 Ų | 62.7 | 58% | 0.575 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -69.1 | -40.3 | 170.4 | -74.9 | 177.4 | 174.5 | 0 | 0 | 110.8 | S9 G16 S17 | S9-E13 WeakPolarHBondContact O-CB 3.49Å; S9-E13 PolarHBondContact O-N 2.91Å; E13-G16 PolarHBondContact O-N 3.18Å; E13-S17 WeakPolarHBondContact O-CA 3.31Å; E13-S17 WeakPolarHBondContact O-CB 3.13Å; E13-S17 PolarHBondContact O-N 2.87Å |
| 14 | C | 37.4 | Very low | 37.2 | Very low | 58 Ų | 58 | 69.1 Ų | 69.1 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 170.4 | -93.2 | 0 | 0 | 0 | 0 | 110.7 | C10 F11 S17 I18 | C10-C14 WeakPolarHBondContact O-CA 3.22Å; C10-C14 WeakPolarHBondContact O-CB 3.06Å; C10-C14 PolarHBondContact O-N 3.25Å; C10-C14 PolarHBondContact O-SG 3.09Å; F11-C14 CarbonylContact O-C 3.38Å; F11-C14 PolarHBondContact O-N 3.04Å; C14-S17 PolarHBondContact O-N 2.91Å; C14-I18 HydrophobicContact CB-CD1 4.3Å; C14-I18 WeakPolarHBondContact O-CA 3.48Å; C14-I18 WeakPolarHBondContact O-CB 3.33Å; C14-I18 VanDerWaalsContact O-CD1 3.29Å; C14-I18 WeakPolarHBondContact O-CD1 3.31Å; C14-I18 WeakPolarHBondContact O-CG1 3.36Å; C14-I18 PolarHBondContact O-N 3.25Å |
| 15 | L | 39.9 | Very low | 37.3 | Very low | 40 Ų | 40 | 69.9 Ų | 69.9 | 21% | 0.209 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -69.4 | -44.2 | 179.2 | -154.8 | 113.3 | 0 | 0 | 0 | 109.6 | F11 T12 S17 I19 L65 | F11-L15 HydrophobicContact CD1-CB 4.47Å; F11-L15 HydrophobicContact CD1-CD1 4.12Å; F11-L15 HydrophobicContact CE1-CD1 3.62Å; F11-L15 WeakPolarHBondContact O-CB 3.43Å; F11-L15 PolarHBondContact O-N 3.01Å; T12-L15 PolarHBondContact O-N 3.34Å; L15-S17 VanDerWaalsContact C-N 3.33Å; L15-I19 HydrophobicContact CD2-CD1 3.5Å; L15-I19 HydrophobicContact CG-CD1 3.92Å; L15-I19 WeakPolarHBondContact O-CB 3.42Å; L15-I19 WeakPolarHBondContact O-CD1 3.45Å; L15-I19 WeakPolarHBondContact O-CG1 3.47Å; L15-I19 PolarHBondContact O-N 3.39Å; L15-L65 HydrophobicContact CD1-CD2 3.71Å; L15-L65 HydrophobicContact CD2-CD2 4.14Å; L15-L65 HydrophobicContact CG-CD2 3.99Å |
| 16 | G | 43.2 | Very low | 37.4 | Very low | 8 Ų | 8 | 68.9 Ų | 68.9 | 8% | 0.082 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T12 E13 D20 | T12-G16 WeakPolarHBondContact O-CA 3.45Å; T12-G16 PolarHBondContact O-N 3.45Å; E13-G16 PolarHBondContact O-N 3.18Å; G16-D20 WeakPolarHBondContact O-CB 3.3Å; G16-D20 PolarHBondContact O-N 3.28Å |
| 17 | S | 39.5 | Very low | 37.5 | Very low | 50 Ų | 50 | 67.8 Ų | 67.8 | 35% | 0.35 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -74.1 | -45.4 | 177.5 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | E13 C14 L15 I19 D20 Q21 | E13-S17 WeakPolarHBondContact O-CA 3.31Å; E13-S17 WeakPolarHBondContact O-CB 3.13Å; E13-S17 PolarHBondContact O-N 2.87Å; C14-S17 PolarHBondContact O-N 2.91Å; L15-S17 VanDerWaalsContact C-N 3.33Å; S17-I19 VanDerWaalsContact C-N 3.26Å; S17-I19 PolarHBondContact O-N 3.39Å; S17-D20 PolarHBondContact O-N 3.13Å; S17-Q21 WeakPolarHBondContact O-CA 3.34Å; S17-Q21 WeakPolarHBondContact O-CB 3.44Å; S17-Q21 WeakPolarHBondContact O-CG 3.18Å; S17-Q21 PolarHBondContact O-N 3.16Å; S17-Q21 PolarHBondContact OG-NE2 3.2Å |
| 18 | I | 39.4 | Very low | 37.9 | Very low | 61 Ų | 61 | 64.9 Ų | 64.9 | 31% | 0.313 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.8 | -43.8 | 172.2 | -73.9 | 164.7 | 0 | 0 | 0 | 109 | C14 M22 | C14-I18 HydrophobicContact CB-CD1 4.3Å; C14-I18 WeakPolarHBondContact O-CA 3.48Å; C14-I18 WeakPolarHBondContact O-CB 3.33Å; C14-I18 VanDerWaalsContact O-CD1 3.29Å; C14-I18 WeakPolarHBondContact O-CD1 3.31Å; C14-I18 WeakPolarHBondContact O-CG1 3.36Å; C14-I18 PolarHBondContact O-N 3.25Å; I18-M22 HydrophobicContact CG2-CE 3.3Å; I18-M22 HydrophobicContact CG2-CG 4.43Å; I18-M22 WeakPolarHBondContact O-CB 3.33Å; I18-M22 WeakPolarHBondContact O-CG 3.47Å; I18-M22 PolarHBondContact O-N 3.31Å |
| 19 | I | 41.5 | Very low | 38.4 | Very low | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71.3 | -43.3 | 179.2 | -72.2 | 169.3 | 0 | 0 | 0 | 111.3 | L15 S17 M22 C23 Y28 V52 L65 | L15-I19 HydrophobicContact CD2-CD1 3.5Å; L15-I19 HydrophobicContact CG-CD1 3.92Å; L15-I19 WeakPolarHBondContact O-CB 3.42Å; L15-I19 WeakPolarHBondContact O-CD1 3.45Å; L15-I19 WeakPolarHBondContact O-CG1 3.47Å; L15-I19 PolarHBondContact O-N 3.39Å; S17-I19 VanDerWaalsContact C-N 3.26Å; S17-I19 PolarHBondContact O-N 3.39Å; I19-M22 PolarHBondContact O-N 3.16Å; I19-C23 VanDerWaalsContact O-CB 3.31Å; I19-C23 WeakPolarHBondContact O-CB 3.06Å; I19-C23 PolarHBondContact O-N 2.9Å; I19-Y28 HydrophobicContact CG2-CD1 3.89Å; I19-Y28 HydrophobicContact CG2-CE1 3.19Å; I19-Y28 HydrophobicContact CG2-CE2 4.06Å; I19-Y28 WeakPolarHBondContact CG2-OH 3.41Å; I19-V52 HydrophobicContact CD1-CG1 4.3Å; I19-L65 HydrophobicContact CD1-CD1 4.49Å; I19-L65 HydrophobicContact CG1-CD1 4.22Å |
| 20 | D | 39.2 | Very low | 38.6 | Very low | 77 Ų | 77 | 68 Ų | 68 | 41% | 0.412 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 175.5 | -173.4 | 57.2 | 0 | 0 | 0 | 110.7 | G16 S17 R24 V32 | G16-D20 WeakPolarHBondContact O-CB 3.3Å; G16-D20 PolarHBondContact O-N 3.28Å; S17-D20 PolarHBondContact O-N 3.13Å; D20-R24 PolarHBondContact O-N 3.34Å; D20-V32 HydrophobicContact CB-CG2 4.28Å |
| 21 | Q | 36.8 | Very low | 38.9 | Very low | 100 Ų | 100 | 64.7 Ų | 64.7 | 47% | 0.467 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 177.3 | -74.1 | -179.7 | 3.7 | 0 | 0 | 112.7 | S17 R24 | S17-Q21 WeakPolarHBondContact O-CA 3.34Å; S17-Q21 WeakPolarHBondContact O-CB 3.44Å; S17-Q21 WeakPolarHBondContact O-CG 3.18Å; S17-Q21 PolarHBondContact O-N 3.16Å; S17-Q21 PolarHBondContact OG-NE2 3.2Å; Q21-R24 VanDerWaalsContact O-CG 3.29Å; Q21-R24 WeakPolarHBondContact O-CG 3.07Å; Q21-R24 PolarHBondContact O-NE 3.08Å |
| 22 | M | 36.7 | Very low | 39.1 | Very low | 82 Ų | 82 | 62.6 Ų | 62.6 | 40% | 0.404 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -82.5 | -42.2 | -177.9 | -76.3 | -144.2 | -113.1 | 0 | 0 | 113.5 | I18 I19 P62 | I18-M22 HydrophobicContact CG2-CE 3.3Å; I18-M22 HydrophobicContact CG2-CG 4.43Å; I18-M22 WeakPolarHBondContact O-CB 3.33Å; I18-M22 WeakPolarHBondContact O-CG 3.47Å; I18-M22 PolarHBondContact O-N 3.31Å; I19-M22 PolarHBondContact O-N 3.16Å; M22-P62 HydrophobicContact CE-CB 3.56Å; M22-P62 HydrophobicContact CE-CG 3.29Å; M22-P62 HydrophobicContact SD-CB 4.38Å; M22-P62 HydrophobicContact SD-CG 3.65Å |
| 23 | C | 41.4 | Very low | 39.2 | Very low | 30 Ų | 30 | 67 Ų | 67 | 20% | 0.203 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -92.4 | -19 | -169.5 | -66.9 | 0 | 0 | 0 | 0 | 113.8 | I19 K25 Y28 V55 | I19-C23 VanDerWaalsContact O-CB 3.31Å; I19-C23 WeakPolarHBondContact O-CB 3.06Å; I19-C23 PolarHBondContact O-N 2.9Å; C23-K25 WeakPolarHBondContact O-CG 3.39Å; C23-K25 PolarHBondContact O-N 3.06Å; C23-Y28 HydrophobicContact CB-CD2 4.35Å; C23-Y28 HydrophobicContact CB-CE2 4.28Å; C23-V55 HydrophobicContact CB-CG1 4.13Å |
| 24 | R | 42 | Very low | 39.3 | Very low | 158 Ų | 158 | 63.5 Ų | 63.5 | 60% | 0.596 | 34% | 0.341 | S | S | * | . | trans | 37.4 | 31.8 | 169.6 | -58.5 | -171.3 | -177.9 | -167.6 | -1.8 | 116.1 | D20 Q21 F449 G451 | D20-R24 PolarHBondContact O-N 3.34Å; Q21-R24 VanDerWaalsContact O-CG 3.29Å; Q21-R24 WeakPolarHBondContact O-CG 3.07Å; Q21-R24 PolarHBondContact O-NE 3.08Å; R24-F449 PolarHBondContact NH2-O 3.08Å; R24-G451 PolarHBondContact NH1-O 2.92Å | ||
| 25 | K | 37.3 | Very low | 39.3 | Very low | 121 Ų | 121 | 62 Ų | 62 | 53% | 0.526 | 33% | 0.329 | S | S | . | . | trans | -107 | 139.7 | -179.8 | -84.1 | -175.6 | 179 | 178.7 | 0 | 110 | C23 S27 Y28 V55 | C23-K25 WeakPolarHBondContact O-CG 3.39Å; C23-K25 PolarHBondContact O-N 3.06Å; K25-S27 PolarHBondContact O-N 3.3Å; K25-Y28 WeakPolarHBondContact O-CB 3.35Å; K25-Y28 PolarHBondContact O-N 3.43Å; K25-V55 HydrophobicContact CD-CG1 4.29Å | ||
| 26 | S | 36.9 | Very low | 39.3 | Very low | 109 Ų | 109 | 65.5 Ų | 65.5 | 76% | 0.762 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -32.2 | -177 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | Y28 S29 | S26-Y28 PolarHBondContact O-N 3.15Å; S26-Y28 VanDerWaalsContact O-N 3.11Å; S26-S29 PolarHBondContact O-N 3.27Å; S26-S29 VanDerWaalsContact O-N 3.09Å |
| 27 | S | 35 | Very low | 39 | Very low | 62 Ų | 62 | 70 Ų | 70 | 43% | 0.434 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.1 | -24.7 | 174.9 | 25.4 | 0 | 0 | 0 | 0 | 113 | K25 S31 | K25-S27 PolarHBondContact O-N 3.3Å; S27-S31 PolarHBondContact O-N 2.99Å; S27-S31 PolarHBondContact O-OG 2.64Å |
| 28 | Y | 39 | Very low | 38.9 | Very low | 1 Ų | 1 | 70.7 Ų | 70.7 | 0% | 0.004 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -82.3 | -21.9 | 177.3 | -102.9 | -81.5 | 0 | 0 | 0 | 115.3 | I19 C23 K25 S26 N30 S31 V32 F48 V52 V55 | I19-Y28 HydrophobicContact CG2-CD1 3.89Å; I19-Y28 HydrophobicContact CG2-CE1 3.19Å; I19-Y28 HydrophobicContact CG2-CE2 4.06Å; I19-Y28 WeakPolarHBondContact CG2-OH 3.41Å; C23-Y28 HydrophobicContact CB-CD2 4.35Å; C23-Y28 HydrophobicContact CB-CE2 4.28Å; K25-Y28 WeakPolarHBondContact O-CB 3.35Å; K25-Y28 PolarHBondContact O-N 3.43Å; S26-Y28 PolarHBondContact O-N 3.15Å; S26-Y28 VanDerWaalsContact O-N 3.11Å; Y28-N30 PolarHBondContact O-N 3.25Å; Y28-S31 CarbonylContact O-C 3.57Å; Y28-S31 PolarHBondContact O-N 3.13Å; Y28-V32 HydrophobicContact CD1-CG2 4.45Å; Y28-V32 WeakPolarHBondContact O-CG2 3.48Å; Y28-V32 PolarHBondContact O-N 2.84Å; Y28-F48 HydrophobicContact CE1-CE2 4.13Å; Y28-V52 HydrophobicContact CE1-CG2 4.06Å; Y28-V52 WeakPolarHBondContact OH-CA 3.42Å; Y28-V52 VanDerWaalsContact OH-CB 3.28Å; Y28-V52 WeakPolarHBondContact OH-CB 3.42Å; Y28-V52 WeakPolarHBondContact OH-CG1 3.4Å; Y28-V52 WeakPolarHBondContact OH-CG2 3.19Å; Y28-V55 HydrophobicContact CD2-CB 4.41Å; Y28-V55 HydrophobicContact CD2-CG1 4.19Å; Y28-V55 HydrophobicContact CD2-CG2 4.05Å; Y28-V55 HydrophobicContact CE2-CB 3.69Å; Y28-V55 HydrophobicContact CE2-CG1 3.73Å; Y28-V55 HydrophobicContact CE2-CG2 3.67Å |
| 29 | S | 40.9 | Very low | 38.8 | Very low | 62 Ų | 62 | 72.9 Ų | 72.9 | 43% | 0.434 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.7 | -36.3 | 169.4 | 174.4 | 0 | 0 | 0 | 0 | 110 | S26 K33 | S26-S29 PolarHBondContact O-N 3.27Å; S26-S29 VanDerWaalsContact O-N 3.09Å; S29-K33 VanDerWaalsContact O-CB 3.31Å; S29-K33 WeakPolarHBondContact O-CB 3.14Å; S29-K33 WeakPolarHBondContact O-CD 3.39Å; S29-K33 WeakPolarHBondContact O-CG 3.37Å; S29-K33 PolarHBondContact O-N 2.75Å; S29-K33 VanDerWaalsContact O-N 3.08Å |
| 30 | N | 39.9 | Very low | 38.8 | Very low | 99 Ų | 99 | 78.1 Ų | 78.1 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -74.1 | -36.2 | 173.8 | -70.2 | -14.5 | 0 | 0 | 0 | 112.4 | Y28 K33 L34 | Y28-N30 PolarHBondContact O-N 3.25Å; N30-K33 WeakPolarHBondContact O-CB 3.45Å; N30-K33 PolarHBondContact O-N 2.85Å; N30-L34 WeakPolarHBondContact O-CB 3.45Å; N30-L34 WeakPolarHBondContact O-CG 3.36Å; N30-L34 PolarHBondContact O-N 3.35Å |
| 31 | S | 39.4 | Very low | 38.8 | Very low | 3 Ų | 3 | 79.5 Ų | 79.5 | 2% | 0.021 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -70 | -41.2 | 177.1 | -48.5 | 0 | 0 | 0 | 0 | 113.1 | S27 Y28 L34 I35 Q51 | S27-S31 PolarHBondContact O-N 2.99Å; S27-S31 PolarHBondContact O-OG 2.64Å; Y28-S31 CarbonylContact O-C 3.57Å; Y28-S31 PolarHBondContact O-N 3.13Å; S31-L34 CarbonylContact O-C 3.51Å; S31-L34 WeakPolarHBondContact O-CA 3.43Å; S31-L34 VanDerWaalsContact O-CB 3.27Å; S31-L34 WeakPolarHBondContact O-CB 3.43Å; S31-L34 PolarHBondContact O-N 3.11Å; S31-I35 WeakPolarHBondContact O-CG1 3.3Å; S31-I35 PolarHBondContact O-N 3.35Å; S31-Q51 PolarHBondContact OG-OE1 2.97Å |
| 32 | V | 38.8 | Very low | 39.2 | Very low | 35 Ų | 35 | 79.6 Ų | 79.6 | 21% | 0.212 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 173 | 175.1 | 0 | 0 | 0 | 0 | 110 | D20 Y28 L34 I35 N36 | D20-V32 HydrophobicContact CB-CG2 4.28Å; Y28-V32 HydrophobicContact CD1-CG2 4.45Å; Y28-V32 WeakPolarHBondContact O-CG2 3.48Å; Y28-V32 PolarHBondContact O-N 2.84Å; V32-L34 PolarHBondContact O-N 3.27Å; V32-I35 PolarHBondContact O-N 2.84Å; V32-I35 VanDerWaalsContact O-N 3.15Å; V32-N36 PolarHBondContact O-N 2.86Å |
| 33 | K | 41 | Very low | 39.7 | Very low | 122 Ų | 122 | 81.5 Ų | 81.5 | 53% | 0.53 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -56.3 | -41.7 | 166.9 | -78.4 | 173.4 | -178.7 | -178.9 | 0 | 111.1 | S29 N30 N36 L37 | S29-K33 VanDerWaalsContact O-CB 3.31Å; S29-K33 WeakPolarHBondContact O-CB 3.14Å; S29-K33 WeakPolarHBondContact O-CD 3.39Å; S29-K33 WeakPolarHBondContact O-CG 3.37Å; S29-K33 PolarHBondContact O-N 2.75Å; S29-K33 VanDerWaalsContact O-N 3.08Å; N30-K33 WeakPolarHBondContact O-CB 3.45Å; N30-K33 PolarHBondContact O-N 2.85Å; K33-N36 CarbonylContact O-C 3.34Å; K33-N36 PolarHBondContact O-N 3.04Å; K33-L37 WeakPolarHBondContact O-CB 2.9Å; K33-L37 VanDerWaalsContact O-CD1 3.29Å; K33-L37 WeakPolarHBondContact O-CD1 3.11Å; K33-L37 WeakPolarHBondContact O-CG 3.31Å; K33-L37 PolarHBondContact O-N 3.24Å |
| 34 | L | 39.5 | Very low | 39.9 | Very low | 50 Ų | 50 | 82 Ų | 82 | 26% | 0.262 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.9 | -34 | 174.5 | -83.2 | 157 | 0 | 0 | 0 | 113.6 | N30 S31 V32 N36 L37 V44 | N30-L34 WeakPolarHBondContact O-CB 3.45Å; N30-L34 WeakPolarHBondContact O-CG 3.36Å; N30-L34 PolarHBondContact O-N 3.35Å; S31-L34 CarbonylContact O-C 3.51Å; S31-L34 WeakPolarHBondContact O-CA 3.43Å; S31-L34 VanDerWaalsContact O-CB 3.27Å; S31-L34 WeakPolarHBondContact O-CB 3.43Å; S31-L34 PolarHBondContact O-N 3.11Å; V32-L34 PolarHBondContact O-N 3.27Å; L34-N36 VanDerWaalsContact C-N 3.35Å; L34-L37 CarbonylContact O-C 3.52Å; L34-L37 PolarHBondContact O-N 2.88Å; L34-V44 HydrophobicContact CD2-CG1 4.21Å |
| 35 | I | 38.4 | Very low | 40.2 | Very low | 27 Ų | 27 | 75.9 Ų | 75.9 | 14% | 0.138 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 172.3 | -61.5 | 167.6 | 0 | 0 | 0 | 110.2 | S31 V32 L37 F48 | S31-I35 WeakPolarHBondContact O-CG1 3.3Å; S31-I35 PolarHBondContact O-N 3.35Å; V32-I35 PolarHBondContact O-N 2.84Å; V32-I35 VanDerWaalsContact O-N 3.15Å; I35-L37 PolarHBondContact O-N 2.92Å; I35-F48 HydrophobicContact CD1-CD2 4.06Å; I35-F48 HydrophobicContact CD1-CE1 4.02Å; I35-F48 HydrophobicContact CD1-CE2 3.21Å; I35-F48 HydrophobicContact CD1-CZ 3.17Å; I35-F48 HydrophobicContact CG1-CD1 4.35Å; I35-F48 HydrophobicContact CG1-CD2 3.57Å; I35-F48 HydrophobicContact CG1-CE1 4.07Å; I35-F48 HydrophobicContact CG1-CE2 3.27Å; I35-F48 HydrophobicContact CG1-CG 4.12Å; I35-F48 HydrophobicContact CG1-CZ 3.54Å |
| 36 | N | 39.1 | Very low | 40.8 | Very low | 113 Ų | 113 | 72.4 Ų | 72.4 | 60% | 0.604 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -68.4 | -26 | 175.2 | -70.6 | -10.4 | 0 | 0 | 0 | 111.3 | V32 K33 L34 N38 | V32-N36 PolarHBondContact O-N 2.86Å; K33-N36 CarbonylContact O-C 3.34Å; K33-N36 PolarHBondContact O-N 3.04Å; L34-N36 VanDerWaalsContact C-N 3.35Å; N36-N38 PolarHBondContact O-N 2.72Å |
| 37 | L | 37.2 | Very low | 41.6 | Very low | 103 Ų | 103 | 69.4 Ų | 69.4 | 54% | 0.539 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -83.5 | 85.9 | 172.9 | -71 | 158 | 0 | 0 | 0 | 111.6 | K33 L34 I35 | K33-L37 WeakPolarHBondContact O-CB 2.9Å; K33-L37 VanDerWaalsContact O-CD1 3.29Å; K33-L37 WeakPolarHBondContact O-CD1 3.11Å; K33-L37 WeakPolarHBondContact O-CG 3.31Å; K33-L37 PolarHBondContact O-N 3.24Å; L34-L37 CarbonylContact O-C 3.52Å; L34-L37 PolarHBondContact O-N 2.88Å; I35-L37 PolarHBondContact O-N 2.92Å |
| 38 | N | 37.2 | Very low | 42.6 | Very low | 65 Ų | 65 | 68 Ų | 68 | 35% | 0.348 | 37% | 0.368 | S | S | . | . | trans | 47.4 | 106.8 | 152.2 | -70 | -25.4 | 0 | 0 | 0 | 120 | N36 S40 R716 | N36-N38 PolarHBondContact O-N 2.72Å; N38-S40 PolarHBondContact O-N 2.99Å; N38-R716 VanDerWaalsContact OD1-CG 3.31Å; N38-R716 WeakPolarHBondContact OD1-CG 3.33Å; N38-R716 PolarHBondContact OD1-NE 3.34Å; N38-R716 VanDerWaalsContact OD1-NE 3.11Å | ||
| 39 | Y | 38.7 | Very low | 43.4 | Very low | 106 Ų | 106 | 69.4 Ų | 69.4 | 42% | 0.416 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 122.7 | 162.1 | -63.2 | -95.8 | 0 | 0 | 0 | 112 | T12 | T12-Y39 WeakPolarHBondContact CG2-OH 3.28Š|
| 40 | S | 40 | Very low | 44.5 | Very low | 115 Ų | 115 | 73.1 Ų | 73.1 | 80% | 0.804 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 164.4 | -18.6 | 146.4 | 44.8 | 0 | 0 | 0 | 0 | 112.6 | N38 E42 | N38-S40 PolarHBondContact O-N 2.99Å; S40-E42 PolarHBondContact O-N 3.17Å |
| 41 | N | 39.8 | Very low | 45.4 | Very low | 107 Ų | 107 | 70.9 Ų | 70.9 | 57% | 0.572 | 37% | 0.368 | S | S | * | . | trans | -78.2 | 114.3 | 171.7 | -84.7 | -19.2 | 0 | 0 | 0 | 109.3 | N43 V44 A45 | N41-N43 PolarHBondContact O-N 3.5Å; N41-V44 HydrophobicContact CB-CB 4.31Å; N41-V44 HydrophobicContact CB-CG2 3.83Å; N41-V44 PolarHBondContact O-N 2.83Å; N41-A45 PolarHBondContact O-N 3.03Å | ||
| 42 | E | 44.3 | Very low | 46.4 | Very low | 102 Ų | 102 | 71.2 Ų | 71.2 | 48% | 0.477 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -46 | -36.9 | 167.3 | -76.5 | -166.5 | 122 | 0 | 0 | 110.8 | S40 V44 Q46 N92 | S40-E42 PolarHBondContact O-N 3.17Å; E42-V44 PolarHBondContact O-N 2.83Å; E42-Q46 WeakPolarHBondContact O-CB 3.25Å; E42-Q46 WeakPolarHBondContact O-CG 3.46Å; E42-Q46 PolarHBondContact O-N 3Å; E42-N92 PolarHBondContact OE1-ND2 3.04Å |
| 43 | N | 48.8 | Very low | 47.8 | Very low | 121 Ų | 121 | 69.7 Ų | 69.7 | 65% | 0.647 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.5 | -37 | 176.3 | -71 | -7.3 | 0 | 0 | 0 | 114 | N41 S47 | N41-N43 PolarHBondContact O-N 3.5Å; N43-S47 WeakPolarHBondContact O-CB 3.48Å; N43-S47 PolarHBondContact O-N 3.24Å |
| 44 | V | 45.4 | Very low | 49.1 | Very low | 41 Ų | 41 | 66.5 Ų | 66.5 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -78.2 | -41.9 | -178.9 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | L34 N41 E42 Q46 S47 F48 | L34-V44 HydrophobicContact CD2-CG1 4.21Å; N41-V44 HydrophobicContact CB-CB 4.31Å; N41-V44 HydrophobicContact CB-CG2 3.83Å; N41-V44 PolarHBondContact O-N 2.83Å; E42-V44 PolarHBondContact O-N 2.83Å; V44-Q46 VanDerWaalsContact C-N 3.33Å; V44-Q46 PolarHBondContact O-N 3.24Å; V44-S47 CarbonylContact O-C 3.6Å; V44-S47 PolarHBondContact O-N 3.42Å; V44-F48 WeakPolarHBondContact O-CB 3.39Å; V44-F48 PolarHBondContact O-N 3.11Å |
| 45 | A | 46.7 | Very low | 50.2 | Low | 29 Ų | 29 | 65 Ų | 65 | 24% | 0.24 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | N41 F48 T49 | N41-A45 PolarHBondContact O-N 3.03Å; A45-F48 PolarHBondContact O-N 3.27Å; A45-T49 WeakPolarHBondContact O-CB 3.17Å; A45-T49 PolarHBondContact O-N 3.44Å; A45-T49 PolarHBondContact O-OG1 3.03Å |
| 46 | Q | 50.6 | Low | 51.6 | Low | 49 Ų | 49 | 63.9 Ų | 63.9 | 23% | 0.229 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 171.3 | -74 | 169.6 | 17 | 0 | 0 | 110.8 | E42 V44 F48 T49 Y50 I90 N92 | E42-Q46 WeakPolarHBondContact O-CB 3.25Å; E42-Q46 WeakPolarHBondContact O-CG 3.46Å; E42-Q46 PolarHBondContact O-N 3Å; V44-Q46 VanDerWaalsContact C-N 3.33Å; V44-Q46 PolarHBondContact O-N 3.24Å; Q46-F48 PolarHBondContact O-N 3.44Å; Q46-T49 PolarHBondContact O-N 3.07Å; Q46-Y50 WeakPolarHBondContact O-CB 3.25Å; Q46-Y50 PolarHBondContact O-N 2.99Å; Q46-I90 HydrophobicContact CG-CG2 4.08Å; Q46-N92 HydrophobicContact CG-CB 4.16Å; Q46-N92 PolarHBondContact NE2-ND2 2.93Å |
| 47 | S | 54.2 | Low | 53.5 | Low | 45 Ų | 45 | 62.6 Ų | 62.6 | 32% | 0.315 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 177.1 | -177.5 | 0 | 0 | 0 | 0 | 112.3 | N43 V44 Q51 | N43-S47 WeakPolarHBondContact O-CB 3.48Å; N43-S47 PolarHBondContact O-N 3.24Å; V44-S47 CarbonylContact O-C 3.6Å; V44-S47 PolarHBondContact O-N 3.42Å; S47-Q51 WeakPolarHBondContact O-CB 3.47Å; S47-Q51 VanDerWaalsContact O-CG 3.24Å; S47-Q51 WeakPolarHBondContact O-CG 3.44Å; S47-Q51 PolarHBondContact O-N 2.99Å |
| 48 | F | 55.2 | Low | 55.4 | Low | 34 Ų | 34 | 57.9 Ų | 57.9 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.2 | -50.4 | 178.4 | 175.4 | -105.9 | 0 | 0 | 0 | 111 | Y28 I35 V44 A45 Q46 Y50 Q51 V52 | Y28-F48 HydrophobicContact CE1-CE2 4.13Å; I35-F48 HydrophobicContact CD1-CD2 4.06Å; I35-F48 HydrophobicContact CD1-CE1 4.02Å; I35-F48 HydrophobicContact CD1-CE2 3.21Å; I35-F48 HydrophobicContact CD1-CZ 3.17Å; I35-F48 HydrophobicContact CG1-CD1 4.35Å; I35-F48 HydrophobicContact CG1-CD2 3.57Å; I35-F48 HydrophobicContact CG1-CE1 4.07Å; I35-F48 HydrophobicContact CG1-CE2 3.27Å; I35-F48 HydrophobicContact CG1-CG 4.12Å; I35-F48 HydrophobicContact CG1-CZ 3.54Å; V44-F48 WeakPolarHBondContact O-CB 3.39Å; V44-F48 PolarHBondContact O-N 3.11Å; A45-F48 PolarHBondContact O-N 3.27Å; Q46-F48 PolarHBondContact O-N 3.44Å; F48-Y50 VanDerWaalsContact C-N 3.29Å; F48-Y50 PolarHBondContact O-N 3.43Å; F48-Q51 WeakPolarHBondContact O-CB 3.13Å; F48-Q51 PolarHBondContact O-N 3.31Å; F48-Q51 VanDerWaalsContact O-N 3.14Å; F48-V52 HydrophobicContact CD1-CG2 4.06Å; F48-V52 HydrophobicContact CD2-CG2 4.19Å; F48-V52 HydrophobicContact CE1-CG2 3.56Å; F48-V52 HydrophobicContact CE2-CG2 3.67Å; F48-V52 HydrophobicContact CG-CG2 4.35Å; F48-V52 HydrophobicContact CZ-CG2 3.33Å; F48-V52 WeakPolarHBondContact O-CG2 3.5Å; F48-V52 PolarHBondContact O-N 3.12Å |
| 49 | T | 56.9 | Low | 57 | Low | 30 Ų | 30 | 57.4 Ų | 57.4 | 18% | 0.184 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.8 | -37.3 | -179.7 | -41.1 | 0 | 0 | 0 | 0 | 111.1 | A45 Q46 V52 V53 W91 | A45-T49 WeakPolarHBondContact O-CB 3.17Å; A45-T49 PolarHBondContact O-N 3.44Å; A45-T49 PolarHBondContact O-OG1 3.03Å; Q46-T49 PolarHBondContact O-N 3.07Å; T49-V52 PolarHBondContact O-N 2.89Å; T49-V53 WeakPolarHBondContact O-CB 3.48Å; T49-V53 VanDerWaalsContact O-CG2 3.31Å; T49-V53 WeakPolarHBondContact O-CG2 3.18Å; T49-V53 PolarHBondContact O-N 2.95Å; T49-W91 WeakPolarHBondContact CB-O 3.33Å; T49-W91 HydrophobicContact CG2-CB 3.47Å; T49-W91 VanDerWaalsContact CG2-CB 3.47Å; T49-W91 HydrophobicContact CG2-CG 4.3Å; T49-W91 PolarHBondContact OG1-O 3.22Å |
| 50 | Y | 63.2 | Low | 58.4 | Low | 139 Ų | 139 | 55.2 Ų | 55.2 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61 | -46 | 171.5 | 179.1 | -96.2 | 0 | 0 | 0 | 112 | Q46 F48 V52 V53 S54 | Q46-Y50 WeakPolarHBondContact O-CB 3.25Å; Q46-Y50 PolarHBondContact O-N 2.99Å; F48-Y50 VanDerWaalsContact C-N 3.29Å; F48-Y50 PolarHBondContact O-N 3.43Å; Y50-V52 VanDerWaalsContact C-N 3.35Å; Y50-V52 PolarHBondContact O-N 3.01Å; Y50-V53 PolarHBondContact O-N 3.48Å; Y50-S54 WeakPolarHBondContact O-CB 3.46Å; Y50-S54 PolarHBondContact O-N 3.2Å |
| 51 | Q | 59.8 | Low | 59.7 | Low | 53 Ų | 53 | 49.8 Ų | 49.8 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 175.1 | -77.9 | 176.3 | 3.2 | 0 | 0 | 111.3 | S31 S47 F48 V53 S54 V55 | S31-Q51 PolarHBondContact OG-OE1 2.97Å; S47-Q51 WeakPolarHBondContact O-CB 3.47Å; S47-Q51 VanDerWaalsContact O-CG 3.24Å; S47-Q51 WeakPolarHBondContact O-CG 3.44Å; S47-Q51 PolarHBondContact O-N 2.99Å; F48-Q51 WeakPolarHBondContact O-CB 3.13Å; F48-Q51 PolarHBondContact O-N 3.31Å; F48-Q51 VanDerWaalsContact O-N 3.14Å; Q51-V53 PolarHBondContact O-N 3.45Å; Q51-S54 WeakPolarHBondContact CA-OG 3.36Å; Q51-S54 PolarHBondContact O-N 3.05Å; Q51-S54 PolarHBondContact O-OG 2.91Å; Q51-V55 WeakPolarHBondContact O-CG2 3.5Å; Q51-V55 PolarHBondContact O-N 3.4Å; Q51-V55 VanDerWaalsContact O-N 3.11Å |
| 52 | V | 60.5 | Low | 60.6 | Low | 10 Ų | 10 | 45.9 Ų | 45.9 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.9 | -50 | 177.9 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | I19 Y28 F48 T49 Y50 S54 V55 L56 | I19-V52 HydrophobicContact CD1-CG1 4.3Å; Y28-V52 HydrophobicContact CE1-CG2 4.06Å; Y28-V52 WeakPolarHBondContact OH-CA 3.42Å; Y28-V52 VanDerWaalsContact OH-CB 3.28Å; Y28-V52 WeakPolarHBondContact OH-CB 3.42Å; Y28-V52 WeakPolarHBondContact OH-CG1 3.4Å; Y28-V52 WeakPolarHBondContact OH-CG2 3.19Å; F48-V52 HydrophobicContact CD1-CG2 4.06Å; F48-V52 HydrophobicContact CD2-CG2 4.19Å; F48-V52 HydrophobicContact CE1-CG2 3.56Å; F48-V52 HydrophobicContact CE2-CG2 3.67Å; F48-V52 HydrophobicContact CG-CG2 4.35Å; F48-V52 HydrophobicContact CZ-CG2 3.33Å; F48-V52 WeakPolarHBondContact O-CG2 3.5Å; F48-V52 PolarHBondContact O-N 3.12Å; T49-V52 PolarHBondContact O-N 2.89Å; Y50-V52 VanDerWaalsContact C-N 3.35Å; Y50-V52 PolarHBondContact O-N 3.01Å; V52-S54 VanDerWaalsContact C-N 3.34Å; V52-S54 PolarHBondContact O-N 3.34Å; V52-V55 PolarHBondContact O-N 3.38Å; V52-L56 HydrophobicContact CG1-CD1 3.84Å; V52-L56 HydrophobicContact CG1-CG 4.43Å; V52-L56 WeakPolarHBondContact O-CG 3.4Å; V52-L56 PolarHBondContact O-N 3.44Å |
| 53 | V | 68.1 | Low | 61.3 | Low | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62 | -42.7 | 178.1 | 166.2 | 0 | 0 | 0 | 0 | 111.2 | T49 Y50 Q51 V55 L56 K57 L69 W91 L304 | T49-V53 WeakPolarHBondContact O-CB 3.48Å; T49-V53 VanDerWaalsContact O-CG2 3.31Å; T49-V53 WeakPolarHBondContact O-CG2 3.18Å; T49-V53 PolarHBondContact O-N 2.95Å; Y50-V53 PolarHBondContact O-N 3.48Å; Q51-V53 PolarHBondContact O-N 3.45Å; V53-V55 PolarHBondContact O-N 3.11Å; V53-L56 PolarHBondContact O-N 2.85Å; V53-K57 WeakPolarHBondContact O-CG 3.19Å; V53-K57 PolarHBondContact O-N 2.94Å; V53-K57 VanDerWaalsContact O-N 3.09Å; V53-L69 HydrophobicContact CG2-CD2 4.28Å; V53-W91 HydrophobicContact CG1-CZ2 3.97Å; V53-W91 HydrophobicContact CG2-CD2 3.66Å; V53-W91 HydrophobicContact CG2-CE3 4.1Å; V53-W91 HydrophobicContact CG2-CG 3.96Å; V53-W91 HydrophobicContact CG2-CH2 4.4Å; V53-W91 HydrophobicContact CG2-CZ2 4.01Å; V53-W91 HydrophobicContact CG2-CZ3 4.45Å; V53-L304 HydrophobicContact CB-CD2 4.28Å; V53-L304 HydrophobicContact CG1-CB 4.36Å; V53-L304 HydrophobicContact CG1-CD2 3.79Å; V53-L304 HydrophobicContact CG2-CD2 4.05Å |
| 54 | S | 67.9 | Low | 61.7 | Low | 55 Ų | 55 | 40.1 Ų | 40.1 | 39% | 0.385 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.9 | -32.5 | 179 | 77.6 | 0 | 0 | 0 | 0 | 113.1 | Y50 Q51 V52 | Y50-S54 WeakPolarHBondContact O-CB 3.46Å; Y50-S54 PolarHBondContact O-N 3.2Å; Q51-S54 WeakPolarHBondContact CA-OG 3.36Å; Q51-S54 PolarHBondContact O-N 3.05Å; Q51-S54 PolarHBondContact O-OG 2.91Å; V52-S54 VanDerWaalsContact C-N 3.34Å; V52-S54 PolarHBondContact O-N 3.34Å |
| 55 | V | 61.3 | Low | 62.5 | Low | 17 Ų | 17 | 38.7 Ų | 38.7 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -83.4 | -32.4 | 178.7 | 174.9 | 0 | 0 | 0 | 0 | 112 | C23 K25 Y28 Q51 V52 V53 K57 | C23-V55 HydrophobicContact CB-CG1 4.13Å; K25-V55 HydrophobicContact CD-CG1 4.29Å; Y28-V55 HydrophobicContact CD2-CB 4.41Å; Y28-V55 HydrophobicContact CD2-CG1 4.19Å; Y28-V55 HydrophobicContact CD2-CG2 4.05Å; Y28-V55 HydrophobicContact CE2-CB 3.69Å; Y28-V55 HydrophobicContact CE2-CG1 3.73Å; Y28-V55 HydrophobicContact CE2-CG2 3.67Å; Q51-V55 WeakPolarHBondContact O-CG2 3.5Å; Q51-V55 PolarHBondContact O-N 3.4Å; Q51-V55 VanDerWaalsContact O-N 3.11Å; V52-V55 PolarHBondContact O-N 3.38Å; V53-V55 PolarHBondContact O-N 3.11Å; V55-K57 VanDerWaalsContact C-N 3.25Å; V55-K57 PolarHBondContact O-N 3.39Å |
| 56 | L | 69.2 | Low | 63.5 | Low | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.8 | -22.2 | 176.1 | -69.9 | 173.8 | 0 | 0 | 0 | 112.4 | V52 V53 G58 T59 L65 L69 L304 | V52-L56 HydrophobicContact CG1-CD1 3.84Å; V52-L56 HydrophobicContact CG1-CG 4.43Å; V52-L56 WeakPolarHBondContact O-CG 3.4Å; V52-L56 PolarHBondContact O-N 3.44Å; V53-L56 PolarHBondContact O-N 2.85Å; L56-G58 PolarHBondContact O-N 3.14Å; L56-T59 WeakPolarHBondContact CA-OG1 3.4Å; L56-T59 PolarHBondContact O-N 3.24Å; L56-T59 PolarHBondContact O-OG1 2.85Å; L56-L65 HydrophobicContact CD1-CD1 4.44Å; L56-L69 HydrophobicContact CD1-CD1 3.65Å; L56-L304 HydrophobicContact CB-CD1 3.81Å; L56-L304 HydrophobicContact CB-CD2 4.3Å |
| 57 | K | 79.5 | Confident | 64.3 | Low | 86 Ų | 86 | 38.4 Ų | 38.4 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 128.2 | 170.6 | -71.9 | -177.1 | -176.9 | -156.2 | 0 | 110.3 | V53 V55 L304 N305 | V53-K57 WeakPolarHBondContact O-CG 3.19Å; V53-K57 PolarHBondContact O-N 2.94Å; V53-K57 VanDerWaalsContact O-N 3.09Å; V55-K57 VanDerWaalsContact C-N 3.25Å; V55-K57 PolarHBondContact O-N 3.39Å; K57-L304 WeakPolarHBondContact CE-O 3.49Å; K57-L304 HydrophobicContact CG-CB 4.18Å; K57-N305 WeakPolarHBondContact CD-OD1 3.24Å; K57-N305 WeakPolarHBondContact CE-OD1 3.5Å; K57-N305 PolarHBondContact NZ-OD1 2.92Å |
| 58 | G | 76.2 | Confident | 64.9 | Low | 4 Ų | 4 | 40 Ų | 40 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 5.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | L56 I353 N357 | L56-G58 PolarHBondContact O-N 3.14Å; G58-I353 WeakPolarHBondContact O-CG2 3.1Å; G58-N357 WeakPolarHBondContact CA-OD1 3.35Å; G58-N357 PolarHBondContact O-ND2 2.84Å |
| 59 | T | 70.8 | Confident | 65.7 | Low | 55 Ų | 55 | 39 Ų | 39 | 34% | 0.337 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -127.4 | 160.4 | 177.3 | 68.5 | 0 | 0 | 0 | 0 | 111.9 | L56 Q301 | L56-T59 WeakPolarHBondContact CA-OG1 3.4Å; L56-T59 PolarHBondContact O-N 3.24Å; L56-T59 PolarHBondContact O-OG1 2.85Å; T59-Q301 PolarHBondContact O-NE2 2.85Å |
| 60 | I | 68.4 | Low | 67 | Low | 60 Ų | 60 | 37.6 Ų | 37.6 | 31% | 0.308 | 19% | 0.186 | S | C | . | . | P | Polyproline II helix | trans | -73 | 128.6 | 172.3 | -61.5 | 174.7 | 0 | 0 | 0 | 108.3 | P62 I293 F297 T349 I353 | I60-P62 WeakPolarHBondContact O-CD 3.33Å; I60-I293 HydrophobicContact CD1-CG2 3.6Å; I60-F297 HydrophobicContact CG1-CB 4.04Å; I60-F297 HydrophobicContact CG1-CD2 3.88Å; I60-F297 HydrophobicContact CG1-CG 4.34Å; I60-T349 HydrophobicContact CD1-CG2 4.18Å; I60-I353 HydrophobicContact CD1-CD1 3.74Å; I60-I353 HydrophobicContact CG1-CD1 3.73Å |
| 61 | I | 67.1 | Low | 67.6 | Low | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 129.5 | 175 | -59.8 | 170.5 | 0 | 0 | 0 | 108.5 | L65 R66 L69 D300 L304 | I61-L65 HydrophobicContact CG2-CB 3.65Å; I61-R66 HydrophobicContact CB-CG 3.92Å; I61-R66 HydrophobicContact CG2-CG 3.72Å; I61-R66 PolarHBondContact O-NE 3.07Å; I61-R66 PolarHBondContact O-NH2 3.16Å; I61-L69 HydrophobicContact CD1-CD1 4.38Å; I61-L69 HydrophobicContact CG2-CD1 4.15Å; I61-D300 HydrophobicContact CB-CB 4.25Å; I61-D300 HydrophobicContact CD1-CB 3.63Å; I61-D300 WeakPolarHBondContact CD1-OD1 3.14Å; I61-D300 HydrophobicContact CG1-CB 3.72Å; I61-D300 PolarHBondContact N-OD2 3.33Å; I61-L304 HydrophobicContact CD1-CD1 3.67Å; I61-L304 HydrophobicContact CD1-CD2 3.88Å; I61-L304 HydrophobicContact CD1-CG 3.69Å; I61-L304 HydrophobicContact CG1-CD1 3.87Å; I61-L304 HydrophobicContact CG1-CG 4.44Å |
| 62 | P | 59.5 | Low | 68.4 | Low | 25 Ų | 25 | 29.1 Ų | 29.1 | 16% | 0.162 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -53.3 | 141.4 | 170.8 | -29.7 | 36.5 | 0 | 0 | 0 | 112.9 | M22 I60 S64 L65 R66 | M22-P62 HydrophobicContact CE-CB 3.56Å; M22-P62 HydrophobicContact CE-CG 3.29Å; M22-P62 HydrophobicContact SD-CB 4.38Å; M22-P62 HydrophobicContact SD-CG 3.65Å; I60-P62 WeakPolarHBondContact O-CD 3.33Å; P62-S64 VanDerWaalsContact C-N 3.25Å; P62-S64 PolarHBondContact O-N 3.44Å; P62-S64 VanDerWaalsContact O-N 3.16Å; P62-L65 HydrophobicContact CB-CB 4.42Å; P62-L65 HydrophobicContact CB-CD1 4.34Å; P62-L65 HydrophobicContact CB-CG 4.34Å; P62-L65 HydrophobicContact CG-CD1 4.02Å; P62-L65 WeakPolarHBondContact O-CA 3.27Å; P62-L65 PolarHBondContact O-N 2.76Å; P62-R66 PolarHBondContact O-N 3.39Å |
| 63 | Y | 59.2 | Low | 69.5 | Low | 54 Ų | 54 | 28.7 Ų | 28.7 | 21% | 0.212 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -50.9 | -43.9 | -178.6 | 178.6 | -93 | 0 | 0 | 0 | 113.3 | L65 R66 R67 A189 N191 H194 | Y63-L65 VanDerWaalsContact C-N 3.31Å; Y63-L65 PolarHBondContact O-N 2.71Å; Y63-R66 PolarHBondContact O-N 3.42Å; Y63-R67 VanDerWaalsContact OH-CZ 3.3Å; Y63-R67 PolarHBondContact OH-NE 2.82Å; Y63-R67 PolarHBondContact OH-NH2 3.32Å; Y63-A189 WeakPolarHBondContact CE2-O 3.37Å; Y63-A189 PolarHBondContact OH-O 3.04Å; Y63-N191 PolarHBondContact OH-O 3.07Å; Y63-H194 HydrophobicContact CD1-CB 4.43Å; Y63-H194 HydrophobicContact CE1-CB 4.08Å |
| 64 | S | 57 | Low | 70.3 | Confident | 49 Ų | 49 | 28.7 Ų | 28.7 | 34% | 0.343 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61 | -36.9 | 177.3 | 51.8 | 0 | 0 | 0 | 0 | 112.9 | P62 F68 | P62-S64 VanDerWaalsContact C-N 3.25Å; P62-S64 PolarHBondContact O-N 3.44Å; P62-S64 VanDerWaalsContact O-N 3.16Å; S64-F68 VanDerWaalsContact O-CD2 3.25Å; S64-F68 WeakPolarHBondContact O-CD2 3.33Å; S64-F68 WeakPolarHBondContact O-CE2 3.29Å |
| 65 | L | 61.7 | Low | 71.1 | Confident | 10 Ų | 10 | 26.2 Ų | 26.2 | 5% | 0.052 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -77.5 | -32.1 | 179.4 | -69.5 | 179.9 | 0 | 0 | 0 | 112.8 | L15 I19 L56 I61 P62 Y63 R67 F68 L69 | L15-L65 HydrophobicContact CD1-CD2 3.71Å; L15-L65 HydrophobicContact CD2-CD2 4.14Å; L15-L65 HydrophobicContact CG-CD2 3.99Å; I19-L65 HydrophobicContact CD1-CD1 4.49Å; I19-L65 HydrophobicContact CG1-CD1 4.22Å; L56-L65 HydrophobicContact CD1-CD1 4.44Å; I61-L65 HydrophobicContact CG2-CB 3.65Å; P62-L65 HydrophobicContact CB-CB 4.42Å; P62-L65 HydrophobicContact CB-CD1 4.34Å; P62-L65 HydrophobicContact CB-CG 4.34Å; P62-L65 HydrophobicContact CG-CD1 4.02Å; P62-L65 WeakPolarHBondContact O-CA 3.27Å; P62-L65 PolarHBondContact O-N 2.76Å; Y63-L65 VanDerWaalsContact C-N 3.31Å; Y63-L65 PolarHBondContact O-N 2.71Å; L65-R67 PolarHBondContact O-N 3.47Å; L65-F68 PolarHBondContact O-N 3.11Å; L65-L69 HydrophobicContact CB-CD1 4.33Å; L65-L69 PolarHBondContact O-N 2.97Å |
| 66 | R | 68.4 | Low | 72 | Confident | 13 Ų | 13 | 26.1 Ų | 26.1 | 5% | 0.049 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.8 | -39.8 | 176.7 | -69.6 | -170.7 | -174.6 | 115.4 | 5.6 | 112.2 | I61 P62 Y63 F68 L69 W70 P71 D300 | I61-R66 HydrophobicContact CB-CG 3.92Å; I61-R66 HydrophobicContact CG2-CG 3.72Å; I61-R66 PolarHBondContact O-NE 3.07Å; I61-R66 PolarHBondContact O-NH2 3.16Å; P62-R66 PolarHBondContact O-N 3.39Å; Y63-R66 PolarHBondContact O-N 3.42Å; R66-F68 PolarHBondContact O-N 2.7Å; R66-F68 VanDerWaalsContact O-N 3.12Å; R66-L69 PolarHBondContact O-N 2.78Å; R66-W70 HydrophobicContact CB-CD2 4.48Å; R66-W70 HydrophobicContact CB-CG 4.35Å; R66-W70 HydrophobicContact CG-CZ2 4.49Å; R66-W70 VanDerWaalsContact O-CB 3.24Å; R66-W70 WeakPolarHBondContact O-CB 3.25Å; R66-W70 PolarHBondContact O-N 2.89Å; R66-P71 WeakPolarHBondContact O-CD 3.41Å; R66-D300 WeakPolarHBondContact CD-OD1 3.43Å; R66-D300 IonicContact CZ-OD1 2.76Å; R66-D300 IonicContact CZ-OD2 3.01Å; R66-D300 IonicContact NE-OD1 2.73Å; R66-D300 PolarHBondContact NE-OD1 3.39Å; R66-D300 IonicContact NE-OD2 3.08Å; R66-D300 PolarHBondContact NE-OD2 2.93Å; R66-D300 VanDerWaalsContact NE-OD2 3.12Å; R66-D300 IonicContact NH2-OD1 3.85Å; R66-D300 IonicContact NH2-OD2 2.84Å; R66-D300 PolarHBondContact NH2-OD2 3.36Å |
| 67 | R | 66.3 | Low | 72.6 | Confident | 60 Ų | 60 | 26 Ų | 26 | 23% | 0.226 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.3 | -20.8 | 179.2 | -70.3 | -177.8 | 171.5 | -176.1 | 1.6 | 114.4 | Y63 L65 P71 L190 N191 K192 | Y63-R67 VanDerWaalsContact OH-CZ 3.3Å; Y63-R67 PolarHBondContact OH-NE 2.82Å; Y63-R67 PolarHBondContact OH-NH2 3.32Å; L65-R67 PolarHBondContact O-N 3.47Å; R67-P71 WeakPolarHBondContact O-CD 3.17Å; R67-P71 WeakPolarHBondContact O-CG 3.25Å; R67-L190 HydrophobicContact CB-CD2 4.46Å; R67-L190 HydrophobicContact CG-CD2 4.1Å; R67-N191 PolarHBondContact NH2-O 2.97Å; R67-K192 VanDerWaalsContact NH2-CA 3.26Å; R67-K192 PolarHBondContact NH2-O 2.69Å |
| 68 | F | 65.9 | Low | 72.7 | Confident | 77 Ų | 77 | 22.7 Ų | 22.7 | 34% | 0.338 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -100.2 | -49.6 | 175.4 | -61.3 | -77.6 | 0 | 0 | 0 | 111.3 | F11 S64 L65 R66 L72 | F11-F68 HydrophobicContact CE1-CE2 4.49Å; F11-F68 HydrophobicContact CZ-CE2 4.48Å; F11-F68 HydrophobicContact CZ-CZ 4.47Å; S64-F68 VanDerWaalsContact O-CD2 3.25Å; S64-F68 WeakPolarHBondContact O-CD2 3.33Å; S64-F68 WeakPolarHBondContact O-CE2 3.29Å; L65-F68 PolarHBondContact O-N 3.11Å; R66-F68 PolarHBondContact O-N 2.7Å; R66-F68 VanDerWaalsContact O-N 3.12Å; F68-L72 WeakPolarHBondContact O-CB 3.42Å; F68-L72 PolarHBondContact O-N 3Å |
| 69 | L | 73.5 | Confident | 72.8 | Confident | 13 Ų | 13 | 27.7 Ų | 27.7 | 7% | 0.068 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.1 | -39 | -173.7 | -67.1 | 175.6 | 0 | 0 | 0 | 112.5 | V53 L56 I61 L65 R66 A73 W91 L304 | V53-L69 HydrophobicContact CG2-CD2 4.28Å; L56-L69 HydrophobicContact CD1-CD1 3.65Å; I61-L69 HydrophobicContact CD1-CD1 4.38Å; I61-L69 HydrophobicContact CG2-CD1 4.15Å; L65-L69 HydrophobicContact CB-CD1 4.33Å; L65-L69 PolarHBondContact O-N 2.97Å; R66-L69 PolarHBondContact O-N 2.78Å; L69-A73 WeakPolarHBondContact O-CB 3.47Å; L69-A73 PolarHBondContact O-N 2.91Å; L69-W91 HydrophobicContact CB-CZ3 4.29Å; L69-W91 HydrophobicContact CD2-CE3 4.06Å; L69-W91 HydrophobicContact CD2-CZ3 3.86Å; L69-L304 HydrophobicContact CD1-CD2 4.39Å |
| 70 | W | 83.1 | Confident | 73.1 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.7 | -52.1 | -178 | -72.8 | 24.1 | 0 | 0 | 0 | 112.4 | R66 L72 A73 L74 P185 A189 L296 W299 D300 F303 | R66-W70 HydrophobicContact CB-CD2 4.48Å; R66-W70 HydrophobicContact CB-CG 4.35Å; R66-W70 HydrophobicContact CG-CZ2 4.49Å; R66-W70 VanDerWaalsContact O-CB 3.24Å; R66-W70 WeakPolarHBondContact O-CB 3.25Å; R66-W70 PolarHBondContact O-N 2.89Å; W70-L72 VanDerWaalsContact C-N 3.31Å; W70-L72 PolarHBondContact O-N 2.8Å; W70-A73 PolarHBondContact O-N 3.49Å; W70-L74 WeakPolarHBondContact O-CG 3.39Å; W70-L74 PolarHBondContact O-N 3.21Å; W70-P185 HydrophobicContact CH2-CB 4.44Å; W70-A189 HydrophobicContact CD2-CB 4.18Å; W70-A189 HydrophobicContact CE3-CB 3.6Å; W70-A189 HydrophobicContact CH2-CB 3.45Å; W70-A189 VanDerWaalsContact CH2-CB 3.45Å; W70-A189 HydrophobicContact CZ2-CB 4.03Å; W70-A189 HydrophobicContact CZ3-CB 3.21Å; W70-L296 HydrophobicContact CH2-CD2 4.07Å; W70-L296 HydrophobicContact CZ2-CD2 4.49Å; W70-W299 HydrophobicContact CH2-CB 3.62Å; W70-W299 HydrophobicContact CH2-CD2 4.39Å; W70-W299 HydrophobicContact CH2-CE3 4.04Å; W70-W299 HydrophobicContact CH2-CG 4.25Å; W70-W299 HydrophobicContact CZ2-CB 3.67Å; W70-W299 AromaticContact CZ3-CE3 3.94Å; W70-W299 HydrophobicContact CZ3-CE3 3.94Å; W70-D300 WeakPolarHBondContact CZ2-OD1 3.5Å; W70-D300 PolarHBondContact NE1-OD1 3.45Å; W70-F303 HydrophobicContact CB-CD1 3.71Å; W70-F303 HydrophobicContact CB-CE1 3.57Å; W70-F303 HydrophobicContact CB-CZ 4.45Å; W70-F303 AromaticContact CD1-CD1 3.96Å; W70-F303 HydrophobicContact CD2-CD1 4.2Å; W70-F303 HydrophobicContact CD2-CE1 4.05Å; W70-F303 HydrophobicContact CD2-CE2 4.43Å; W70-F303 HydrophobicContact CD2-CG 4.4Å; W70-F303 HydrophobicContact CD2-CZ 4.17Å; W70-F303 HydrophobicContact CE3-CE1 4.25Å; W70-F303 HydrophobicContact CE3-CE2 4.42Å; W70-F303 HydrophobicContact CE3-CZ 4.03Å; W70-F303 AromaticContact CG-CD1 3.68Å; W70-F303 HydrophobicContact CG-CD1 3.68Å; W70-F303 AromaticContact CG-CE1 3.77Å; W70-F303 HydrophobicContact CG-CE1 3.77Å; W70-F303 HydrophobicContact CG-CG 4.14Å; W70-F303 HydrophobicContact CG-CZ 4.38Å; W70-F303 WeakPolarHBondContact O-CE1 3.45Å |
| 71 | P | 77 | Confident | 73.2 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.9 | -40.2 | 175.3 | -28.8 | 40.7 | 0 | 0 | 0 | 112.9 | R66 R67 A73 L74 F75 M96 L190 Y226 | R66-P71 WeakPolarHBondContact O-CD 3.41Å; R67-P71 WeakPolarHBondContact O-CD 3.17Å; R67-P71 WeakPolarHBondContact O-CG 3.25Å; P71-A73 PolarHBondContact O-N 3.28Å; P71-L74 PolarHBondContact O-N 2.58Å; P71-F75 HydrophobicContact CB-CD2 4.32Å; P71-F75 HydrophobicContact CB-CE2 3.93Å; P71-F75 WeakPolarHBondContact O-CD2 3.17Å; P71-F75 WeakPolarHBondContact O-CG 3.24Å; P71-F75 PolarHBondContact O-N 2.67Å; P71-M96 HydrophobicContact CB-CE 3.6Å; P71-L190 HydrophobicContact CG-CD2 4.4Å; P71-Y226 HydrophobicContact CB-CE1 3.93Å; P71-Y226 HydrophobicContact CG-CE1 4.18Å |
| 72 | L | 75.6 | Confident | 73.2 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61 | -45 | 177.8 | 179 | 58.7 | 0 | 0 | 0 | 112.2 | F68 W70 T76 W91 M96 | F68-L72 WeakPolarHBondContact O-CB 3.42Å; F68-L72 PolarHBondContact O-N 3Å; W70-L72 VanDerWaalsContact C-N 3.31Å; W70-L72 PolarHBondContact O-N 2.8Å; L72-T76 VanDerWaalsContact O-CB 3.28Å; L72-T76 WeakPolarHBondContact O-CB 3.36Å; L72-T76 PolarHBondContact O-N 3.23Å; L72-T76 PolarHBondContact O-OG1 2.67Å; L72-W91 HydrophobicContact CD2-CE3 3.85Å; L72-W91 HydrophobicContact CD2-CZ3 4.43Å; L72-W91 HydrophobicContact CG-CE3 4.16Å; L72-W91 HydrophobicContact CG-CZ3 4.45Å; L72-M96 WeakPolarHBondContact CA-SD 3.29Å; L72-M96 HydrophobicContact CB-SD 3.75Å; L72-M96 HydrophobicContact CD1-CB 3.97Å; L72-M96 HydrophobicContact CD1-CG 4.3Å; L72-M96 HydrophobicContact CD1-SD 3.59Å; L72-M96 VanDerWaalsContact CD1-SD 3.59Å; L72-M96 HydrophobicContact CG-SD 4.27Å |
| 73 | A | 83.5 | Confident | 73.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L69 W70 P71 V77 I89 W91 F303 F307 | L69-A73 WeakPolarHBondContact O-CB 3.47Å; L69-A73 PolarHBondContact O-N 2.91Å; W70-A73 PolarHBondContact O-N 3.49Å; P71-A73 PolarHBondContact O-N 3.28Å; A73-V77 WeakPolarHBondContact O-CB 3.29Å; A73-V77 VanDerWaalsContact O-CG2 3.28Å; A73-V77 WeakPolarHBondContact O-CG2 3.17Å; A73-V77 PolarHBondContact O-N 3.31Å; A73-I89 HydrophobicContact CB-CD1 4.06Å; A73-W91 HydrophobicContact CB-CH2 3.75Å; A73-W91 HydrophobicContact CB-CZ3 4.07Å; A73-F303 HydrophobicContact CB-CD1 3.93Å; A73-F307 HydrophobicContact CB-CE2 4.35Å; A73-F307 HydrophobicContact CB-CZ 4.43Å |
| 74 | L | 86.2 | Confident | 73.8 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.6 | -51.3 | 178.2 | -74 | 168.4 | 0 | 0 | 0 | 111.8 | W70 P71 T76 A78 Y226 L229 F230 I233 F303 F307 | W70-L74 WeakPolarHBondContact O-CG 3.39Å; W70-L74 PolarHBondContact O-N 3.21Å; P71-L74 PolarHBondContact O-N 2.58Å; L74-T76 PolarHBondContact O-N 2.88Å; L74-A78 WeakPolarHBondContact O-CB 3.19Å; L74-A78 PolarHBondContact O-N 3.34Å; L74-Y226 HydrophobicContact CD1-CD1 3.87Å; L74-Y226 HydrophobicContact CD1-CG 4.17Å; L74-L229 HydrophobicContact CB-CB 4.49Å; L74-L229 HydrophobicContact CB-CD1 4.44Å; L74-L229 HydrophobicContact CD2-CB 4.46Å; L74-F230 HydrophobicContact CD2-CB 3.92Å; L74-F230 HydrophobicContact CD2-CD2 4.2Å; L74-I233 HydrophobicContact CD2-CD1 3.91Å; L74-I233 WeakPolarHBondContact O-CD1 3.43Å; L74-F303 HydrophobicContact CD1-CE1 3.98Å; L74-F303 HydrophobicContact CD1-CZ 4.32Å; L74-F303 HydrophobicContact CD2-CE1 4.12Å; L74-F303 HydrophobicContact CD2-CZ 4.24Å; L74-F303 HydrophobicContact CG-CE1 3.7Å; L74-F303 HydrophobicContact CG-CZ 4.24Å; L74-F307 HydrophobicContact CD2-CE1 4.35Å; L74-F307 HydrophobicContact CD2-CZ 3.9Å; L74-F307 HydrophobicContact CG-CZ 4.45Å |
| 75 | F | 84.1 | Confident | 74.1 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.013 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.1 | -37.9 | -176.7 | -60.7 | -50.5 | 0 | 0 | 0 | 112.4 | P71 M96 L99 E100 A103 L225 Y226 L229 | P71-F75 HydrophobicContact CB-CD2 4.32Å; P71-F75 HydrophobicContact CB-CE2 3.93Å; P71-F75 WeakPolarHBondContact O-CD2 3.17Å; P71-F75 WeakPolarHBondContact O-CG 3.24Å; P71-F75 PolarHBondContact O-N 2.67Å; F75-M96 HydrophobicContact CD2-CE 3.41Å; F75-M96 VanDerWaalsContact CD2-CE 3.41Å; F75-M96 HydrophobicContact CD2-SD 3.73Å; F75-M96 HydrophobicContact CE2-CE 3.45Å; F75-M96 VanDerWaalsContact CE2-CE 3.45Å; F75-M96 HydrophobicContact CE2-SD 4.35Å; F75-L99 HydrophobicContact CB-CB 3.78Å; F75-E100 HydrophobicContact CD2-CB 3.96Å; F75-E100 HydrophobicContact CE2-CB 3.62Å; F75-E100 HydrophobicContact CE2-CG 3.72Å; F75-E100 HydrophobicContact CZ-CB 4.01Å; F75-E100 HydrophobicContact CZ-CG 3.76Å; F75-A103 HydrophobicContact CD1-CB 3.49Å; F75-A103 VanDerWaalsContact CD1-CB 3.49Å; F75-A103 HydrophobicContact CE1-CB 3.6Å; F75-L225 HydrophobicContact CE1-CD2 4.03Å; F75-L225 HydrophobicContact CE1-CG 4.44Å; F75-L225 HydrophobicContact CZ-CD2 4.32Å; F75-Y226 HydrophobicContact CE1-CE1 4.18Å; F75-Y226 HydrophobicContact CE2-CE1 4.11Å; F75-Y226 HydrophobicContact CZ-CD1 4.32Å; F75-Y226 AromaticContact CZ-CE1 3.55Å; F75-Y226 HydrophobicContact CZ-CE1 3.55Å; F75-L229 HydrophobicContact CD1-CD1 3.34Å; F75-L229 HydrophobicContact CE1-CD1 3.39Å |
| 76 | T | 81.2 | Confident | 74.2 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.3 | -48.2 | 179.3 | -51.3 | 0 | 0 | 0 | 0 | 111.3 | L72 L74 A78 E79 I89 | L72-T76 VanDerWaalsContact O-CB 3.28Å; L72-T76 WeakPolarHBondContact O-CB 3.36Å; L72-T76 PolarHBondContact O-N 3.23Å; L72-T76 PolarHBondContact O-OG1 2.67Å; L74-T76 PolarHBondContact O-N 2.88Å; T76-A78 VanDerWaalsContact C-N 3.33Å; T76-A78 PolarHBondContact O-N 3.26Å; T76-E79 PolarHBondContact O-N 3.24Å; T76-I89 HydrophobicContact CG2-CG2 4.1Å |
| 77 | V | 80.9 | Confident | 74.2 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -73.5 | -26.9 | -178.3 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | A73 E79 W80 F85 I89 I233 F307 | A73-V77 WeakPolarHBondContact O-CB 3.29Å; A73-V77 VanDerWaalsContact O-CG2 3.28Å; A73-V77 WeakPolarHBondContact O-CG2 3.17Å; A73-V77 PolarHBondContact O-N 3.31Å; V77-E79 VanDerWaalsContact C-N 3.27Å; V77-E79 PolarHBondContact O-N 3.3Å; V77-W80 HydrophobicContact CB-CE3 4.31Å; V77-W80 HydrophobicContact CG1-CD2 4.48Å; V77-W80 HydrophobicContact CG1-CE3 3.92Å; V77-W80 HydrophobicContact CG1-CZ3 4.39Å; V77-W80 HydrophobicContact CG2-CD2 4.43Å; V77-W80 HydrophobicContact CG2-CE3 4.09Å; V77-W80 HydrophobicContact CG2-CH2 4.25Å; V77-W80 HydrophobicContact CG2-CZ3 3.99Å; V77-W80 WeakPolarHBondContact O-CB 3.48Å; V77-W80 PolarHBondContact O-N 3.16Å; V77-F85 HydrophobicContact CG1-CD1 4.14Å; V77-F85 HydrophobicContact CG1-CE1 3.66Å; V77-I89 HydrophobicContact CG2-CD1 3.58Å; V77-I89 HydrophobicContact CG2-CG1 3.56Å; V77-I233 HydrophobicContact CB-CD1 4.01Å; V77-I233 HydrophobicContact CB-CG1 4.38Å; V77-I233 HydrophobicContact CG1-CB 4.49Å; V77-I233 HydrophobicContact CG1-CD1 4.1Å; V77-I233 HydrophobicContact CG1-CG1 3.99Å; V77-I233 HydrophobicContact CG1-CG2 3.7Å; V77-F307 HydrophobicContact CB-CD2 4.28Å; V77-F307 HydrophobicContact CB-CE2 4.09Å; V77-F307 HydrophobicContact CG1-CD2 4.05Å; V77-F307 HydrophobicContact CG1-CE2 4.32Å; V77-F307 HydrophobicContact CG2-CD2 4.04Å; V77-F307 HydrophobicContact CG2-CE2 3.9Å |
| 78 | A | 81 | Confident | 74.2 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.6 | -31.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L74 T76 W80 L229 I233 K236 | L74-A78 WeakPolarHBondContact O-CB 3.19Å; L74-A78 PolarHBondContact O-N 3.34Å; T76-A78 VanDerWaalsContact C-N 3.33Å; T76-A78 PolarHBondContact O-N 3.26Å; A78-W80 VanDerWaalsContact C-N 3.33Å; A78-L229 HydrophobicContact CB-CD2 3.69Å; A78-I233 HydrophobicContact CB-CD1 4.36Å; A78-I233 HydrophobicContact CB-CG1 4.45Å; A78-K236 PolarHBondContact O-NZ 2.79Å |
| 79 | E | 79.1 | Confident | 74.3 | Confident | 108 Ų | 108 | 49.1 Ų | 49.1 | 51% | 0.505 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -77.7 | -17 | 176.6 | -69.5 | -156.6 | 162.6 | 0 | 0 | 113.7 | T76 V77 L99 | T76-E79 PolarHBondContact O-N 3.24Å; V77-E79 VanDerWaalsContact C-N 3.27Å; V77-E79 PolarHBondContact O-N 3.3Å; E79-L99 HydrophobicContact CG-CD2 3.9Å; E79-L99 WeakPolarHBondContact OE2-CD2 3.5Å |
| 80 | W | 77.7 | Confident | 74.1 | Confident | 31 Ų | 31 | 53.7 Ų | 53.7 | 12% | 0.117 | 27% | 0.274 | C | S | . | . | trans | -63.1 | 140.2 | -177.5 | -70.7 | -5.4 | 0 | 0 | 0 | 113.2 | V77 A78 E84 F85 N87 I89 | V77-W80 HydrophobicContact CB-CE3 4.31Å; V77-W80 HydrophobicContact CG1-CD2 4.48Å; V77-W80 HydrophobicContact CG1-CE3 3.92Å; V77-W80 HydrophobicContact CG1-CZ3 4.39Å; V77-W80 HydrophobicContact CG2-CD2 4.43Å; V77-W80 HydrophobicContact CG2-CE3 4.09Å; V77-W80 HydrophobicContact CG2-CH2 4.25Å; V77-W80 HydrophobicContact CG2-CZ3 3.99Å; V77-W80 WeakPolarHBondContact O-CB 3.48Å; V77-W80 PolarHBondContact O-N 3.16Å; A78-W80 VanDerWaalsContact C-N 3.33Å; W80-E84 WeakPolarHBondContact CA-OE2 3.33Å; W80-E84 HydrophobicContact CB-CB 3.97Å; W80-E84 HydrophobicContact CD2-CB 4.31Å; W80-E84 HydrophobicContact CG-CB 3.99Å; W80-F85 HydrophobicContact CE3-CD1 4.27Å; W80-N87 WeakPolarHBondContact CH2-O 3.31Å; W80-N87 WeakPolarHBondContact CZ3-O 3.13Å; W80-I89 HydrophobicContact CH2-CB 4.22Å; W80-I89 HydrophobicContact CH2-CG1 3.61Å; W80-I89 HydrophobicContact CZ2-CB 4.39Å; W80-I89 HydrophobicContact CZ2-CG1 4.05Å; W80-I89 HydrophobicContact CZ3-CG1 4.35Å | ||
| 81 | T | 70.1 | Confident | 73.1 | Confident | 72 Ų | 72 | 54 Ų | 54 | 44% | 0.442 | 28% | 0.275 | S | S | . | . | trans | -75 | 161.6 | 166.4 | 59 | 0 | 0 | 0 | 0 | 110.5 | S83 E84 F85 | T81-S83 PolarHBondContact O-N 3.5Å; T81-S83 VanDerWaalsContact O-N 3.12Å; T81-S83 PolarHBondContact OG1-OG 3.01Å; T81-S83 VanDerWaalsContact OG1-OG 3.11Å; T81-E84 PolarHBondContact N-OE2 3.5Å; T81-E84 PolarHBondContact O-N 3.24Å; T81-E84 VanDerWaalsContact OG1-CD 3.25Å; T81-E84 WeakPolarHBondContact OG1-CG 3.41Å; T81-E84 PolarHBondContact OG1-OE2 3.35Å; T81-F85 WeakPolarHBondContact O-CD2 3.47Å; T81-F85 WeakPolarHBondContact O-CE2 3.26Å | ||
| 82 | R | 65.7 | Low | 72.3 | Confident | 197 Ų | 197 | 54.2 Ų | 54.2 | 74% | 0.743 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -54.5 | -33 | 179.4 | -86.4 | -173.6 | 178.2 | 161.5 | 1.9 | 113.3 | ||
| 83 | S | 63.4 | Low | 71.4 | Confident | 97 Ų | 97 | 54.8 Ų | 54.8 | 68% | 0.678 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -73.6 | -21.1 | 178.1 | 42 | 0 | 0 | 0 | 0 | 114.3 | T81 | T81-S83 PolarHBondContact O-N 3.5Å; T81-S83 VanDerWaalsContact O-N 3.12Å; T81-S83 PolarHBondContact OG1-OG 3.01Å; T81-S83 VanDerWaalsContact OG1-OG 3.11Å |
| 84 | E | 68.1 | Low | 70.1 | Confident | 75 Ų | 75 | 60.1 Ų | 60.1 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -90.1 | -10.7 | -176 | -72 | 167 | 143.4 | 0 | 0 | 113.4 | W80 T81 E86 N87 | W80-E84 WeakPolarHBondContact CA-OE2 3.33Å; W80-E84 HydrophobicContact CB-CB 3.97Å; W80-E84 HydrophobicContact CD2-CB 4.31Å; W80-E84 HydrophobicContact CG-CB 3.99Å; T81-E84 PolarHBondContact N-OE2 3.5Å; T81-E84 PolarHBondContact O-N 3.24Å; T81-E84 VanDerWaalsContact OG1-CD 3.25Å; T81-E84 WeakPolarHBondContact OG1-CG 3.41Å; T81-E84 PolarHBondContact OG1-OE2 3.35Å; E84-E86 PolarHBondContact O-N 2.65Å; E84-E86 VanDerWaalsContact O-N 3.14Å; E84-N87 WeakPolarHBondContact O-CB 3.39Å; E84-N87 PolarHBondContact O-N 3.27Å |
| 85 | F | 64.5 | Low | 69 | Low | 15 Ų | 15 | 65 Ų | 65 | 7% | 0.066 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18 | -178 | -79.3 | -80.8 | 0 | 0 | 0 | 114.9 | V77 W80 T81 N87 I233 K236 K237 | V77-F85 HydrophobicContact CG1-CD1 4.14Å; V77-F85 HydrophobicContact CG1-CE1 3.66Å; W80-F85 HydrophobicContact CE3-CD1 4.27Å; T81-F85 WeakPolarHBondContact O-CD2 3.47Å; T81-F85 WeakPolarHBondContact O-CE2 3.26Å; F85-N87 VanDerWaalsContact C-N 3.32Å; F85-I233 HydrophobicContact CE1-CG2 4.36Å; F85-K236 HydrophobicContact CE1-CB 4.5Å; F85-K236 HydrophobicContact CE2-CB 3.9Å; F85-K236 HydrophobicContact CE2-CD 4.3Å; F85-K236 HydrophobicContact CZ-CB 3.56Å; F85-K236 HydrophobicContact CZ-CD 3.88Å; F85-K236 HydrophobicContact CZ-CG 4.4Å; F85-K237 HydrophobicContact CB-CG 4.39Å; F85-K237 HydrophobicContact CD1-CB 3.97Å; F85-K237 HydrophobicContact CD1-CD 3.92Å; F85-K237 HydrophobicContact CD1-CG 3.97Å; F85-K237 HydrophobicContact CE1-CB 4.1Å; F85-K237 HydrophobicContact CG-CB 4.44Å; F85-K237 HydrophobicContact CG-CG 4.27Å |
| 86 | E | 63.8 | Low | 68 | Low | 184 Ų | 184 | 65.5 Ų | 65.5 | 86% | 0.86 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -16.6 | 174.8 | -64.6 | -173.2 | 175 | 0 | 0 | 112.3 | E84 | E84-E86 PolarHBondContact O-N 2.65Å; E84-E86 VanDerWaalsContact O-N 3.14Å |
| 87 | N | 68.1 | Low | 67 | Low | 92 Ų | 92 | 71.2 Ų | 71.2 | 49% | 0.492 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -81.3 | 145.5 | -179.2 | -64.1 | -32.6 | 0 | 0 | 0 | 111.2 | W80 E84 F85 | W80-N87 WeakPolarHBondContact CH2-O 3.31Å; W80-N87 WeakPolarHBondContact CZ3-O 3.13Å; E84-N87 WeakPolarHBondContact O-CB 3.39Å; E84-N87 PolarHBondContact O-N 3.27Å; F85-N87 VanDerWaalsContact C-N 3.32Å |
| 88 | P | 66.1 | Low | 66.5 | Low | 87 Ų | 87 | 77.3 Ų | 77.3 | 57% | 0.565 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 146 | 171.1 | 27 | -33.1 | 0 | 0 | 0 | 111 | I90 | P88-I90 PolarHBondContact O-N 3.19Å; P88-I90 VanDerWaalsContact O-N 3.17Å |
| 89 | I | 68.5 | Low | 66.1 | Low | 4 Ų | 4 | 77 Ų | 77 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 123.6 | 175.6 | -68.3 | 163 | 0 | 0 | 0 | 109.7 | A73 T76 V77 W80 W91 S306 | A73-I89 HydrophobicContact CB-CD1 4.06Å; T76-I89 HydrophobicContact CG2-CG2 4.1Å; V77-I89 HydrophobicContact CG2-CD1 3.58Å; V77-I89 HydrophobicContact CG2-CG1 3.56Å; W80-I89 HydrophobicContact CH2-CB 4.22Å; W80-I89 HydrophobicContact CH2-CG1 3.61Å; W80-I89 HydrophobicContact CZ2-CB 4.39Å; W80-I89 HydrophobicContact CZ2-CG1 4.05Å; W80-I89 HydrophobicContact CZ3-CG1 4.35Å; I89-W91 HydrophobicContact CB-CD2 4.44Å; I89-W91 HydrophobicContact CB-CZ2 4.22Å; I89-W91 HydrophobicContact CD1-CH2 4.36Å; I89-W91 HydrophobicContact CD1-CZ2 3.9Å; I89-W91 HydrophobicContact CG2-CD2 3.75Å; I89-W91 HydrophobicContact CG2-CE3 4.32Å; I89-W91 HydrophobicContact CG2-CG 3.96Å; I89-W91 HydrophobicContact CG2-CZ2 4.17Å; I89-W91 PolarHBondContact O-N 2.94Å; I89-W91 PolarHBondContact O-NE1 3.34Å; I89-S306 WeakPolarHBondContact CG1-OG 3.02Å; I89-S306 PolarHBondContact N-OG 3.43Å |
| 90 | I | 67.6 | Low | 65.8 | Low | 109 Ų | 109 | 73.8 Ų | 73.8 | 56% | 0.559 | 36% | 0.362 | S | S | * | . | trans | -79.6 | 101 | 166.8 | -56.4 | 174.8 | 0 | 0 | 0 | 106.9 | Q46 P88 N92 | Q46-I90 HydrophobicContact CG-CG2 4.08Å; P88-I90 PolarHBondContact O-N 3.19Å; P88-I90 VanDerWaalsContact O-N 3.17Å; I90-N92 VanDerWaalsContact C-N 3.25Å; I90-N92 PolarHBondContact O-N 3.37Å | ||
| 91 | W | 62.5 | Low | 65.7 | Low | 8 Ų | 8 | 75.9 Ų | 75.9 | 3% | 0.03 | 38% | 0.382 | C | S | . | . | trans | -76.2 | 73.8 | -177 | -62.8 | 89.1 | 0 | 0 | 0 | 111.5 | T49 V53 L69 L72 A73 I89 | T49-W91 WeakPolarHBondContact CB-O 3.33Å; T49-W91 HydrophobicContact CG2-CB 3.47Å; T49-W91 VanDerWaalsContact CG2-CB 3.47Å; T49-W91 HydrophobicContact CG2-CG 4.3Å; T49-W91 PolarHBondContact OG1-O 3.22Å; V53-W91 HydrophobicContact CG1-CZ2 3.97Å; V53-W91 HydrophobicContact CG2-CD2 3.66Å; V53-W91 HydrophobicContact CG2-CE3 4.1Å; V53-W91 HydrophobicContact CG2-CG 3.96Å; V53-W91 HydrophobicContact CG2-CH2 4.4Å; V53-W91 HydrophobicContact CG2-CZ2 4.01Å; V53-W91 HydrophobicContact CG2-CZ3 4.45Å; L69-W91 HydrophobicContact CB-CZ3 4.29Å; L69-W91 HydrophobicContact CD2-CE3 4.06Å; L69-W91 HydrophobicContact CD2-CZ3 3.86Å; L72-W91 HydrophobicContact CD2-CE3 3.85Å; L72-W91 HydrophobicContact CD2-CZ3 4.43Å; L72-W91 HydrophobicContact CG-CE3 4.16Å; L72-W91 HydrophobicContact CG-CZ3 4.45Å; A73-W91 HydrophobicContact CB-CH2 3.75Å; A73-W91 HydrophobicContact CB-CZ3 4.07Å; I89-W91 HydrophobicContact CB-CD2 4.44Å; I89-W91 HydrophobicContact CB-CZ2 4.22Å; I89-W91 HydrophobicContact CD1-CH2 4.36Å; I89-W91 HydrophobicContact CD1-CZ2 3.9Å; I89-W91 HydrophobicContact CG2-CD2 3.75Å; I89-W91 HydrophobicContact CG2-CE3 4.32Å; I89-W91 HydrophobicContact CG2-CG 3.96Å; I89-W91 HydrophobicContact CG2-CZ2 4.17Å; I89-W91 PolarHBondContact O-N 2.94Å; I89-W91 PolarHBondContact O-NE1 3.34Å | ||
| 92 | N | 61.1 | Low | 66.2 | Low | 10 Ų | 10 | 74.8 Ų | 74.8 | 5% | 0.053 | 38% | 0.375 | C | S | . | . | trans | -96.9 | 91.8 | 177.9 | -168.7 | -9.9 | 0 | 0 | 0 | 111 | E42 Q46 I90 H94 K95 | E42-N92 PolarHBondContact OE1-ND2 3.04Å; Q46-N92 HydrophobicContact CG-CB 4.16Å; Q46-N92 PolarHBondContact NE2-ND2 2.93Å; I90-N92 VanDerWaalsContact C-N 3.25Å; I90-N92 PolarHBondContact O-N 3.37Å; N92-H94 PolarHBondContact O-N 3.06Å; N92-H94 WeakPolarHBondContact OD1-CB 3.48Å; N92-H94 PolarHBondContact OD1-N 3.36Å; N92-K95 PolarHBondContact O-N 3.04Å; N92-K95 VanDerWaalsContact O-N 3.13Å | ||
| 93 | G | 55.5 | Low | 66.9 | Low | 22 Ų | 22 | 66 Ų | 66 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -16.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | M96 | G93-M96 WeakPolarHBondContact O-CB 3.42Š|
| 94 | H | 56.6 | Low | 67.9 | Low | 112 Ų | 112 | 67.1 Ų | 67.1 | 52% | 0.519 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -35.2 | 176.6 | -66.8 | -79.9 | 0 | 0 | 0 | 112.7 | N92 M96 | N92-H94 PolarHBondContact O-N 3.06Å; N92-H94 WeakPolarHBondContact OD1-CB 3.48Å; N92-H94 PolarHBondContact OD1-N 3.36Å; H94-M96 VanDerWaalsContact C-N 3.25Å; H94-M96 PolarHBondContact O-N 3.27Å |
| 95 | K | 63.4 | Low | 68.6 | Low | 106 Ų | 106 | 72.7 Ų | 72.7 | 46% | 0.461 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -13.8 | 178.8 | -72.9 | -168.2 | 173 | -171.9 | 0 | 113.5 | N92 R97 E98 L99 | N92-K95 PolarHBondContact O-N 3.04Å; N92-K95 VanDerWaalsContact O-N 3.13Å; K95-R97 VanDerWaalsContact C-N 3.3Å; K95-R97 PolarHBondContact O-N 2.95Å; K95-R97 VanDerWaalsContact O-N 3.16Å; K95-E98 WeakPolarHBondContact O-CB 3.14Å; K95-E98 PolarHBondContact O-N 3.08Å; K95-L99 HydrophobicContact CB-CD1 3.99Å; K95-L99 HydrophobicContact CB-CG 4.18Å; K95-L99 VanDerWaalsContact O-CG 3.29Å; K95-L99 WeakPolarHBondContact O-CG 3.44Å; K95-L99 PolarHBondContact O-N 2.71Å |
| 96 | M | 62.8 | Low | 69.7 | Low | 13 Ų | 13 | 76.4 Ų | 76.4 | 6% | 0.064 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -50.5 | -44 | -175.4 | 179.5 | 61.2 | -174 | 0 | 0 | 113.8 | M1 P71 L72 F75 G93 H94 E100 | M1-M96 HydrophobicContact CE-CB 3.43Å; M1-M96 VanDerWaalsContact CE-CB 3.43Å; M1-M96 HydrophobicContact CE-CG 3.55Å; M1-M96 HydrophobicContact SD-CB 3.85Å; M1-M96 HydrophobicContact SD-CG 3.75Å; P71-M96 HydrophobicContact CB-CE 3.6Å; L72-M96 WeakPolarHBondContact CA-SD 3.29Å; L72-M96 HydrophobicContact CB-SD 3.75Å; L72-M96 HydrophobicContact CD1-CB 3.97Å; L72-M96 HydrophobicContact CD1-CG 4.3Å; L72-M96 HydrophobicContact CD1-SD 3.59Å; L72-M96 VanDerWaalsContact CD1-SD 3.59Å; L72-M96 HydrophobicContact CG-SD 4.27Å; F75-M96 HydrophobicContact CD2-CE 3.41Å; F75-M96 VanDerWaalsContact CD2-CE 3.41Å; F75-M96 HydrophobicContact CD2-SD 3.73Å; F75-M96 HydrophobicContact CE2-CE 3.45Å; F75-M96 VanDerWaalsContact CE2-CE 3.45Å; F75-M96 HydrophobicContact CE2-SD 4.35Å; G93-M96 WeakPolarHBondContact O-CB 3.42Å; H94-M96 VanDerWaalsContact C-N 3.25Å; H94-M96 PolarHBondContact O-N 3.27Å; M96-E100 WeakPolarHBondContact O-CB 3.45Å; M96-E100 PolarHBondContact O-N 2.84Å |
| 97 | R | 60 | Low | 70.9 | Confident | 135 Ų | 135 | 68.3 Ų | 68.3 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 178.6 | -80.2 | -172.8 | 176.6 | 177.8 | -0.8 | 112.9 | M1 E5 K95 S101 | M1-R97 HydrophobicContact CE-CG 3.88Å; E5-R97 VanDerWaalsContact CG-NH2 3.29Å; E5-R97 IonicContact OE1-NH2 3.91Å; E5-R97 PolarHBondContact OE1-NH2 2.96Å; K95-R97 VanDerWaalsContact C-N 3.3Å; K95-R97 PolarHBondContact O-N 2.95Å; K95-R97 VanDerWaalsContact O-N 3.16Å; R97-S101 WeakPolarHBondContact O-CB 3.28Å; R97-S101 PolarHBondContact O-N 2.95Å |
| 98 | E | 71.2 | Confident | 71.9 | Confident | 129 Ų | 129 | 65.6 Ų | 65.6 | 60% | 0.603 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.7 | -46.7 | 177.9 | -176 | -178.4 | -178.3 | 0 | 0 | 110.4 | K95 S101 T102 | K95-E98 WeakPolarHBondContact O-CB 3.14Å; K95-E98 PolarHBondContact O-N 3.08Å; E98-S101 PolarHBondContact O-N 3.28Å; E98-T102 WeakPolarHBondContact O-CB 3.42Å; E98-T102 PolarHBondContact O-N 2.7Å; E98-T102 PolarHBondContact O-OG1 2.79Å |
| 99 | L | 72.3 | Confident | 73 | Confident | 12 Ų | 12 | 65.8 Ų | 65.8 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 177.3 | -64.4 | 172.3 | 0 | 0 | 0 | 111.6 | F75 E79 K95 T102 A103 | F75-L99 HydrophobicContact CB-CB 3.78Å; E79-L99 HydrophobicContact CG-CD2 3.9Å; E79-L99 WeakPolarHBondContact OE2-CD2 3.5Å; K95-L99 HydrophobicContact CB-CD1 3.99Å; K95-L99 HydrophobicContact CB-CG 4.18Å; K95-L99 VanDerWaalsContact O-CG 3.29Å; K95-L99 WeakPolarHBondContact O-CG 3.44Å; K95-L99 PolarHBondContact O-N 2.71Å; L99-T102 PolarHBondContact O-N 2.8Å; L99-A103 VanDerWaalsContact O-CB 3.31Å; L99-A103 WeakPolarHBondContact O-CB 3.42Å; L99-A103 PolarHBondContact O-N 3.5Å |
| 100 | E | 72.4 | Confident | 73.9 | Confident | 40 Ų | 40 | 68.8 Ų | 68.8 | 19% | 0.187 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63 | -46.6 | 177 | 177.4 | 174.9 | -165.9 | 0 | 0 | 111.7 | F75 M96 T102 A103 R104 | F75-E100 HydrophobicContact CD2-CB 3.96Å; F75-E100 HydrophobicContact CE2-CB 3.62Å; F75-E100 HydrophobicContact CE2-CG 3.72Å; F75-E100 HydrophobicContact CZ-CB 4.01Å; F75-E100 HydrophobicContact CZ-CG 3.76Å; M96-E100 WeakPolarHBondContact O-CB 3.45Å; M96-E100 PolarHBondContact O-N 2.84Å; E100-T102 VanDerWaalsContact C-N 3.32Å; E100-T102 PolarHBondContact O-N 2.78Å; E100-A103 PolarHBondContact O-N 2.95Å; E100-R104 HydrophobicContact CG-CG 4.27Å; E100-R104 WeakPolarHBondContact O-CB 3.3Å; E100-R104 VanDerWaalsContact O-CG 3.3Å; E100-R104 WeakPolarHBondContact O-CG 3.42Å; E100-R104 PolarHBondContact O-N 2.73Å; E100-R104 IonicContact OE1-CZ 2.79Å; E100-R104 IonicContact OE1-NE 3.71Å; E100-R104 PolarHBondContact OE1-NE 2.81Å; E100-R104 IonicContact OE1-NH2 3.12Å; E100-R104 PolarHBondContact OE1-NH2 3.13Å |
| 101 | S | 75 | Confident | 74.9 | Confident | 75 Ų | 75 | 64.6 Ų | 64.6 | 52% | 0.524 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 178.6 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | R97 E98 R104 R105 | R97-S101 WeakPolarHBondContact O-CB 3.28Å; R97-S101 PolarHBondContact O-N 2.95Å; E98-S101 PolarHBondContact O-N 3.28Å; S101-R104 PolarHBondContact O-N 2.95Å; S101-R105 VanDerWaalsContact O-CB 3.28Å; S101-R105 WeakPolarHBondContact O-CB 3.45Å; S101-R105 PolarHBondContact O-N 2.91Å |
| 102 | T | 80.8 | Confident | 76.1 | Confident | 49 Ų | 49 | 67.2 Ų | 67.2 | 30% | 0.301 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 177.3 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | E98 L99 E100 R105 N106 | E98-T102 WeakPolarHBondContact O-CB 3.42Å; E98-T102 PolarHBondContact O-N 2.7Å; E98-T102 PolarHBondContact O-OG1 2.79Å; L99-T102 PolarHBondContact O-N 2.8Å; E100-T102 VanDerWaalsContact C-N 3.32Å; E100-T102 PolarHBondContact O-N 2.78Å; T102-R105 PolarHBondContact O-N 2.8Å; T102-N106 WeakPolarHBondContact O-CB 3.15Å; T102-N106 VanDerWaalsContact O-CG 3.22Å; T102-N106 PolarHBondContact O-N 3.32Å; T102-N106 PolarHBondContact O-ND2 3.24Å |
| 103 | A | 80.9 | Confident | 77.3 | Confident | 12 Ų | 12 | 69 Ų | 69 | 10% | 0.099 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F75 L99 E100 R105 N106 F107 L225 L229 | F75-A103 HydrophobicContact CD1-CB 3.49Å; F75-A103 VanDerWaalsContact CD1-CB 3.49Å; F75-A103 HydrophobicContact CE1-CB 3.6Å; L99-A103 VanDerWaalsContact O-CB 3.31Å; L99-A103 WeakPolarHBondContact O-CB 3.42Å; L99-A103 PolarHBondContact O-N 3.5Å; E100-A103 PolarHBondContact O-N 2.95Å; A103-R105 PolarHBondContact O-N 3.4Å; A103-N106 PolarHBondContact O-N 2.83Å; A103-F107 WeakPolarHBondContact O-CB 3.26Å; A103-F107 PolarHBondContact O-N 3.24Å; A103-L225 HydrophobicContact CB-CD1 4.39Å; A103-L229 HydrophobicContact CB-CD1 4.29Å |
| 104 | R | 83.9 | Confident | 78.8 | Confident | 121 Ų | 121 | 68 Ų | 68 | 46% | 0.457 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 175.8 | -75.4 | 179.6 | 179.6 | -139.4 | 4.1 | 111.6 | E100 S101 G108 L225 | E100-R104 HydrophobicContact CG-CG 4.27Å; E100-R104 WeakPolarHBondContact O-CB 3.3Å; E100-R104 VanDerWaalsContact O-CG 3.3Å; E100-R104 WeakPolarHBondContact O-CG 3.42Å; E100-R104 PolarHBondContact O-N 2.73Å; E100-R104 IonicContact OE1-CZ 2.79Å; E100-R104 IonicContact OE1-NE 3.71Å; E100-R104 PolarHBondContact OE1-NE 2.81Å; E100-R104 IonicContact OE1-NH2 3.12Å; E100-R104 PolarHBondContact OE1-NH2 3.13Å; S101-R104 PolarHBondContact O-N 2.95Å; R104-G108 PolarHBondContact O-N 2.97Å; R104-L225 HydrophobicContact CG-CD2 3.73Å |
| 105 | R | 83.4 | Confident | 80.3 | Confident | 191 Ų | 191 | 63.8 Ų | 63.8 | 72% | 0.721 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.9 | -48.7 | 176.9 | -174.8 | -176.9 | -178.5 | 111.2 | -0.5 | 111.3 | S101 T102 A103 F107 G108 V109 | S101-R105 VanDerWaalsContact O-CB 3.28Å; S101-R105 WeakPolarHBondContact O-CB 3.45Å; S101-R105 PolarHBondContact O-N 2.91Å; T102-R105 PolarHBondContact O-N 2.8Å; A103-R105 PolarHBondContact O-N 3.4Å; R105-F107 PolarHBondContact O-N 3.06Å; R105-G108 PolarHBondContact O-N 3.49Å; R105-V109 WeakPolarHBondContact O-CG2 3.28Å; R105-V109 PolarHBondContact O-N 3.34Å |
| 106 | N | 87.1 | Confident | 81.4 | Confident | 94 Ų | 94 | 62.5 Ų | 62.5 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | -179.8 | -71 | -16.3 | 0 | 0 | 0 | 111.6 | T102 A103 V109 L110 | T102-N106 WeakPolarHBondContact O-CB 3.15Å; T102-N106 VanDerWaalsContact O-CG 3.22Å; T102-N106 PolarHBondContact O-N 3.32Å; T102-N106 PolarHBondContact O-ND2 3.24Å; A103-N106 PolarHBondContact O-N 2.83Å; N106-V109 PolarHBondContact O-N 3.4Å; N106-L110 WeakPolarHBondContact O-CG 3.29Å; N106-L110 PolarHBondContact O-N 2.98Å; N106-L110 VanDerWaalsContact O-N 3.07Å |
| 107 | F | 90.2 | Very high | 82.4 | Confident | 14 Ų | 14 | 69.2 Ų | 69.2 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66 | -38.6 | 175.9 | -172.9 | -100.7 | 0 | 0 | 0 | 112.3 | A103 R105 V109 L110 L111 V167 A171 A224 L225 | A103-F107 WeakPolarHBondContact O-CB 3.26Å; A103-F107 PolarHBondContact O-N 3.24Å; R105-F107 PolarHBondContact O-N 3.06Å; F107-V109 VanDerWaalsContact C-N 3.34Å; F107-V109 PolarHBondContact O-N 3.26Å; F107-L110 PolarHBondContact O-N 2.75Å; F107-L111 VanDerWaalsContact O-CB 3.31Å; F107-L111 WeakPolarHBondContact O-CB 3.33Å; F107-L111 PolarHBondContact O-N 3.01Å; F107-V167 HydrophobicContact CE1-CG1 4.22Å; F107-V167 HydrophobicContact CZ-CG1 4.19Å; F107-A171 HydrophobicContact CD2-CB 4.24Å; F107-A171 HydrophobicContact CE2-CB 3.58Å; F107-A171 HydrophobicContact CZ-CB 3.8Å; F107-A224 HydrophobicContact CE1-CB 4.32Å; F107-A224 HydrophobicContact CZ-CB 3.87Å; F107-L225 HydrophobicContact CB-CD1 3.54Å; F107-L225 HydrophobicContact CD1-CB 4.12Å; F107-L225 HydrophobicContact CD1-CD1 4.39Å; F107-L225 HydrophobicContact CD2-CD1 4.11Å; F107-L225 HydrophobicContact CE1-CB 4.34Å; F107-L225 HydrophobicContact CG-CB 4.25Å; F107-L225 HydrophobicContact CG-CD1 3.77Å |
| 108 | G | 88.2 | Confident | 83.6 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R104 R105 L111 A112 | R104-G108 PolarHBondContact O-N 2.97Å; R105-G108 PolarHBondContact O-N 3.49Å; G108-L111 PolarHBondContact O-N 2.76Å; G108-A112 WeakPolarHBondContact O-CB 3.43Å; G108-A112 PolarHBondContact O-N 2.85Å |
| 109 | V | 88.7 | Confident | 84.2 | Confident | 92 Ų | 92 | 61.4 Ų | 61.4 | 56% | 0.558 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.4 | -45 | 173.9 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | R105 N106 F107 L111 A112 S113 | R105-V109 WeakPolarHBondContact O-CG2 3.28Å; R105-V109 PolarHBondContact O-N 3.34Å; N106-V109 PolarHBondContact O-N 3.4Å; F107-V109 VanDerWaalsContact C-N 3.34Å; F107-V109 PolarHBondContact O-N 3.26Å; V109-L111 PolarHBondContact O-N 2.82Å; V109-A112 PolarHBondContact O-N 3.03Å; V109-S113 WeakPolarHBondContact O-CB 3.44Å; V109-S113 PolarHBondContact O-N 3.29Å; V109-S113 PolarHBondContact O-OG 2.84Å |
| 110 | L | 88.1 | Confident | 84.7 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 35% | 0.346 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 175.6 | -73 | 174.9 | 0 | 0 | 0 | 111.1 | N106 F107 A112 S113 G114 A171 | N106-L110 WeakPolarHBondContact O-CG 3.29Å; N106-L110 PolarHBondContact O-N 2.98Å; N106-L110 VanDerWaalsContact O-N 3.07Å; F107-L110 PolarHBondContact O-N 2.75Å; L110-A112 PolarHBondContact O-N 2.76Å; L110-S113 PolarHBondContact O-N 3.43Å; L110-S113 PolarHBondContact O-OG 3.44Å; L110-G114 PolarHBondContact O-N 3.38Å; L110-A171 HydrophobicContact CB-CB 4.33Å |
| 111 | L | 89.4 | Confident | 85.1 | Confident | 22 Ų | 22 | 67 Ų | 67 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 178.3 | -171.5 | 73 | 0 | 0 | 0 | 112 | F107 G108 V109 S113 G114 T115 P123 V167 T170 A171 Y221 | F107-L111 VanDerWaalsContact O-CB 3.31Å; F107-L111 WeakPolarHBondContact O-CB 3.33Å; F107-L111 PolarHBondContact O-N 3.01Å; G108-L111 PolarHBondContact O-N 2.76Å; V109-L111 PolarHBondContact O-N 2.82Å; L111-S113 VanDerWaalsContact C-N 3.35Å; L111-S113 PolarHBondContact O-N 2.86Å; L111-G114 PolarHBondContact O-N 2.55Å; L111-T115 WeakPolarHBondContact O-CB 3.27Å; L111-T115 PolarHBondContact O-N 3.06Å; L111-T115 PolarHBondContact O-OG1 3.35Å; L111-P123 HydrophobicContact CD1-CB 3.66Å; L111-P123 HydrophobicContact CD1-CG 4.22Å; L111-P123 HydrophobicContact CD2-CB 4.39Å; L111-P123 HydrophobicContact CD2-CG 4.17Å; L111-P123 HydrophobicContact CG-CB 4.15Å; L111-P123 HydrophobicContact CG-CG 4.16Å; L111-V167 HydrophobicContact CD1-CG1 3.83Å; L111-T170 HydrophobicContact CD1-CG2 4.16Å; L111-A171 HydrophobicContact CB-CB 4.42Å; L111-A171 HydrophobicContact CD1-CB 4.16Å; L111-Y221 HydrophobicContact CD2-CD1 3.81Å; L111-Y221 HydrophobicContact CD2-CE1 3.53Å |
| 112 | A | 87.1 | Confident | 85.4 | Confident | 62 Ų | 62 | 66.5 Ų | 66.5 | 51% | 0.512 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G108 V109 L110 A116 | G108-A112 WeakPolarHBondContact O-CB 3.43Å; G108-A112 PolarHBondContact O-N 2.85Å; V109-A112 PolarHBondContact O-N 3.03Å; L110-A112 PolarHBondContact O-N 2.76Å; A112-A116 WeakPolarHBondContact O-CB 3.48Å; A112-A116 PolarHBondContact O-N 2.87Å |
| 113 | S | 86 | Confident | 85.6 | Confident | 47 Ų | 47 | 65 Ų | 65 | 33% | 0.329 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 177.7 | 80.8 | 0 | 0 | 0 | 0 | 112.4 | V109 L110 L111 K117 | V109-S113 WeakPolarHBondContact O-CB 3.44Å; V109-S113 PolarHBondContact O-N 3.29Å; V109-S113 PolarHBondContact O-OG 2.84Å; L110-S113 PolarHBondContact O-N 3.43Å; L110-S113 PolarHBondContact O-OG 3.44Å; L111-S113 VanDerWaalsContact C-N 3.35Å; L111-S113 PolarHBondContact O-N 2.86Å; S113-K117 WeakPolarHBondContact O-CB 3.02Å; S113-K117 VanDerWaalsContact O-CG 3.28Å; S113-K117 WeakPolarHBondContact O-CG 3.28Å; S113-K117 PolarHBondContact O-N 2.99Å |
| 114 | G | 87.3 | Confident | 85.7 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.4 | -42.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L110 L111 A116 K117 L118 T170 | L110-G114 PolarHBondContact O-N 3.38Å; L111-G114 PolarHBondContact O-N 2.55Å; G114-A116 VanDerWaalsContact C-N 3.33Å; G114-A116 PolarHBondContact O-N 3.48Å; G114-K117 PolarHBondContact O-N 2.74Å; G114-L118 WeakPolarHBondContact O-CB 3.27Å; G114-L118 WeakPolarHBondContact O-CG 3.04Å; G114-L118 PolarHBondContact O-N 3.41Å; G114-T170 VanDerWaalsContact CA-O 3.3Å; G114-T170 WeakPolarHBondContact CA-O 3.33Å |
| 115 | T | 88.8 | Confident | 85.6 | Confident | 24 Ų | 24 | 63.7 Ų | 63.7 | 15% | 0.147 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.1 | -46.4 | 174.5 | -52.9 | 0 | 0 | 0 | 0 | 110.6 | L111 G119 L120 | L111-T115 WeakPolarHBondContact O-CB 3.27Å; L111-T115 PolarHBondContact O-N 3.06Å; L111-T115 PolarHBondContact O-OG1 3.35Å; T115-G119 PolarHBondContact O-N 3.14Å; T115-G119 VanDerWaalsContact O-N 3.08Å; T115-L120 HydrophobicContact CG2-CB 4.2Å; T115-L120 VanDerWaalsContact CG2-O 3.28Å; T115-L120 WeakPolarHBondContact CG2-O 3.11Å; T115-L120 PolarHBondContact O-N 3.32Å; T115-L120 VanDerWaalsContact O-N 3.11Å |
| 116 | A | 85.4 | Confident | 85.5 | Confident | 79 Ų | 79 | 55.1 Ų | 55.1 | 65% | 0.653 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.4 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A112 G114 G119 | A112-A116 WeakPolarHBondContact O-CB 3.48Å; A112-A116 PolarHBondContact O-N 2.87Å; G114-A116 VanDerWaalsContact C-N 3.33Å; G114-A116 PolarHBondContact O-N 3.48Å; A116-G119 PolarHBondContact O-N 3.24Å |
| 117 | K | 84.7 | Confident | 85.1 | Confident | 155 Ų | 155 | 58.4 Ų | 58.4 | 67% | 0.674 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.3 | -39.6 | 179.3 | -79.9 | 177.1 | 179.7 | 179.4 | 0 | 113.2 | S113 G114 G119 | S113-K117 WeakPolarHBondContact O-CB 3.02Å; S113-K117 VanDerWaalsContact O-CG 3.28Å; S113-K117 WeakPolarHBondContact O-CG 3.28Å; S113-K117 PolarHBondContact O-N 2.99Å; G114-K117 PolarHBondContact O-N 2.74Å; K117-G119 VanDerWaalsContact C-N 3.34Å |
| 118 | L | 85.3 | Confident | 84.6 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 17% | 0.173 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -83.8 | -12.3 | -178.6 | -67 | 174 | 0 | 0 | 0 | 112.9 | G114 L120 K127 Y169 T170 | G114-L118 WeakPolarHBondContact O-CB 3.27Å; G114-L118 WeakPolarHBondContact O-CG 3.04Å; G114-L118 PolarHBondContact O-N 3.41Å; L118-L120 HydrophobicContact CB-CD1 3.92Å; L118-L120 HydrophobicContact CB-CD2 4.44Å; L118-L120 HydrophobicContact CB-CG 3.73Å; L118-L120 HydrophobicContact CD1-CD1 3.94Å; L118-K127 WeakPolarHBondContact O-CE 3.39Å; L118-Y169 HydrophobicContact CD1-CD1 4.47Å; L118-Y169 HydrophobicContact CD1-CE1 4.05Å; L118-T170 HydrophobicContact CD1-CG2 4.44Å |
| 119 | G | 83 | Confident | 84.4 | Confident | 67 Ų | 67 | 62.1 Ų | 62.1 | 69% | 0.691 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 35.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T115 A116 K117 | T115-G119 PolarHBondContact O-N 3.14Å; T115-G119 VanDerWaalsContact O-N 3.08Å; A116-G119 PolarHBondContact O-N 3.24Å; K117-G119 VanDerWaalsContact C-N 3.34Å |
| 120 | L | 83.1 | Confident | 84.2 | Confident | 28 Ų | 28 | 64 Ų | 64 | 15% | 0.147 | 38% | 0.378 | C | S | . | . | trans | -88.7 | 142.9 | -177.5 | -58.6 | 174.8 | 0 | 0 | 0 | 110.7 | T115 L118 K127 T170 | T115-L120 HydrophobicContact CG2-CB 4.2Å; T115-L120 VanDerWaalsContact CG2-O 3.28Å; T115-L120 WeakPolarHBondContact CG2-O 3.11Å; T115-L120 PolarHBondContact O-N 3.32Å; T115-L120 VanDerWaalsContact O-N 3.11Å; L118-L120 HydrophobicContact CB-CD1 3.92Å; L118-L120 HydrophobicContact CB-CD2 4.44Å; L118-L120 HydrophobicContact CB-CG 3.73Å; L118-L120 HydrophobicContact CD1-CD1 3.94Å; L120-K127 HydrophobicContact CD2-CG 4.47Å; L120-T170 HydrophobicContact CD1-CG2 4.08Å | ||
| 121 | T | 79.8 | Confident | 84.1 | Confident | 142 Ų | 142 | 65.2 Ų | 65.2 | 87% | 0.871 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -77.7 | -36.4 | 171.7 | 50.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 122 | T | 82.3 | Confident | 84 | Confident | 63 Ų | 63 | 64.1 Ų | 64.1 | 39% | 0.387 | 38% | 0.378 | S | S | . | . | trans | -134.5 | 140.7 | 176.5 | 58.7 | 0 | 0 | 0 | 0 | 110.7 | T124 | T122-T124 PolarHBondContact O-N 2.85Å; T122-T124 PolarHBondContact OG1-OG1 2.6Å | ||
| 123 | P | 84.2 | Confident | 84 | Confident | 18 Ų | 18 | 63.3 Ų | 63.3 | 12% | 0.117 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -11.6 | 179.1 | -13.1 | 27 | 0 | 0 | 0 | 114.1 | L111 C125 N166 V167 T170 Y221 | L111-P123 HydrophobicContact CD1-CB 3.66Å; L111-P123 HydrophobicContact CD1-CG 4.22Å; L111-P123 HydrophobicContact CD2-CB 4.39Å; L111-P123 HydrophobicContact CD2-CG 4.17Å; L111-P123 HydrophobicContact CG-CB 4.15Å; L111-P123 HydrophobicContact CG-CG 4.16Å; P123-C125 VanDerWaalsContact C-N 3.29Å; P123-N166 CarbonylContact O-C 3.41Å; P123-V167 HydrophobicContact CB-CG2 4.35Å; P123-V167 WeakPolarHBondContact O-CA 3.34Å; P123-V167 PolarHBondContact O-N 3.12Å; P123-T170 HydrophobicContact CB-CG2 4.16Å; P123-T170 PolarHBondContact O-OG1 3.13Å; P123-Y221 HydrophobicContact CB-CE1 4.48Å; P123-Y221 HydrophobicContact CG-CE1 4.43Å |
| 124 | T | 83.3 | Confident | 84.1 | Confident | 38 Ų | 38 | 67.4 Ų | 67.4 | 23% | 0.233 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -13.5 | -178.6 | 49.9 | 0 | 0 | 0 | 0 | 113.7 | T122 N166 V167 | T122-T124 PolarHBondContact O-N 2.85Å; T122-T124 PolarHBondContact OG1-OG1 2.6Å; T124-N166 VanDerWaalsContact O-CB 3.22Å; T124-N166 WeakPolarHBondContact O-CB 3.22Å; T124-V167 HydrophobicContact CG2-CG2 4.03Å |
| 125 | C | 82.1 | Confident | 84 | Confident | 67 Ų | 67 | 68.2 Ų | 68.2 | 45% | 0.453 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -134.1 | 112.1 | 179.2 | -65.3 | 0 | 0 | 0 | 0 | 108.9 | P123 | P123-C125 VanDerWaalsContact C-N 3.29Š|
| 126 | S | 81.9 | Confident | 83.8 | Confident | 12 Ų | 12 | 67.1 Ų | 67.1 | 8% | 0.084 | 38% | 0.376 | C | S | . | . | trans | -102.6 | 175 | 177.7 | 78.2 | 0 | 0 | 0 | 0 | 111.7 | F128 D129 N166 | S126-F128 PolarHBondContact O-N 2.83Å; S126-F128 PolarHBondContact OG-N 2.52Å; S126-F128 VanDerWaalsContact OG-N 3.16Å; S126-D129 VanDerWaalsContact O-CB 3.29Å; S126-D129 WeakPolarHBondContact O-CB 3.21Å; S126-D129 PolarHBondContact O-N 3.14Å; S126-D129 VanDerWaalsContact O-N 3.14Å; S126-N166 VanDerWaalsContact CB-OD1 3.22Å; S126-N166 WeakPolarHBondContact CB-OD1 3.36Å; S126-N166 PolarHBondContact N-OD1 2.99Å; S126-N166 PolarHBondContact OG-OD1 2.71Å | ||
| 127 | K | 78.2 | Confident | 83.7 | Confident | 163 Ų | 163 | 68.5 Ų | 68.5 | 71% | 0.709 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15.4 | 171.9 | -63.6 | -176.5 | -178.4 | 177.7 | 0 | 113.5 | L118 L120 | L118-K127 WeakPolarHBondContact O-CE 3.39Å; L120-K127 HydrophobicContact CD2-CG 4.47Å |
| 128 | F | 79.6 | Confident | 83.6 | Confident | 85 Ų | 85 | 66.5 Ų | 66.5 | 37% | 0.373 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 7.5 | 178.1 | -70.5 | -93 | 0 | 0 | 0 | 112.4 | S126 D130 I131 I132 Y169 | S126-F128 PolarHBondContact O-N 2.83Å; S126-F128 PolarHBondContact OG-N 2.52Å; S126-F128 VanDerWaalsContact OG-N 3.16Å; F128-D130 VanDerWaalsContact C-N 3.28Å; F128-D130 PolarHBondContact O-N 3.48Å; F128-I131 HydrophobicContact CD1-CD1 4Å; F128-I131 HydrophobicContact CE1-CD1 4.49Å; F128-I131 PolarHBondContact O-N 3.18Å; F128-I132 HydrophobicContact CB-CD1 4.28Å; F128-I132 HydrophobicContact CB-CG1 4.44Å; F128-I132 WeakPolarHBondContact O-CG1 3.41Å; F128-I132 PolarHBondContact O-N 3.3Å; F128-Y169 HydrophobicContact CD2-CD1 4.4Å; F128-Y169 AromaticContact CD2-CE1 3.49Å; F128-Y169 HydrophobicContact CD2-CE1 3.49Å; F128-Y169 VanDerWaalsContact CD2-CE1 3.49Å; F128-Y169 HydrophobicContact CD2-CE2 4.28Å; F128-Y169 AromaticContact CD2-CZ 3.41Å; F128-Y169 VanDerWaalsContact CD2-CZ 3.41Å; F128-Y169 VanDerWaalsContact CD2-OH 3.28Å; F128-Y169 WeakPolarHBondContact CD2-OH 3.42Å; F128-Y169 HydrophobicContact CE2-CE1 4.06Å; F128-Y169 AromaticContact CE2-CZ 3.61Å; F128-Y169 WeakPolarHBondContact CE2-OH 2.92Å; F128-Y169 HydrophobicContact CG-CE1 4.36Å |
| 129 | D | 85.1 | Confident | 83.3 | Confident | 40 Ų | 40 | 65.8 Ų | 65.8 | 21% | 0.214 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -53.4 | -43.6 | -175.7 | -172.7 | 65 | 0 | 0 | 0 | 112.6 | S126 I131 I132 N133 V162 N166 | S126-D129 VanDerWaalsContact O-CB 3.29Å; S126-D129 WeakPolarHBondContact O-CB 3.21Å; S126-D129 PolarHBondContact O-N 3.14Å; S126-D129 VanDerWaalsContact O-N 3.14Å; D129-I131 VanDerWaalsContact C-N 3.33Å; D129-I131 PolarHBondContact O-N 3.2Å; D129-I132 PolarHBondContact O-N 3.27Å; D129-N133 WeakPolarHBondContact O-CB 3.36Å; D129-N133 PolarHBondContact O-N 3.18Å; D129-V162 WeakPolarHBondContact OD1-CG1 3.32Å; D129-N166 PolarHBondContact OD1-ND2 3.17Å |
| 130 | D | 84.5 | Confident | 83.1 | Confident | 131 Ų | 131 | 62.7 Ų | 62.7 | 70% | 0.701 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61 | -40 | 178.2 | -70.1 | -35.8 | 0 | 0 | 0 | 112.8 | F128 K134 | F128-D130 VanDerWaalsContact C-N 3.28Å; F128-D130 PolarHBondContact O-N 3.48Å; D130-K134 WeakPolarHBondContact O-CB 3.48Å; D130-K134 PolarHBondContact O-N 2.91Å |
| 131 | I | 85.4 | Confident | 82.7 | Confident | 92 Ų | 92 | 66.6 Ų | 66.6 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70.2 | -47.9 | 178.4 | -61.2 | -179 | 0 | 0 | 0 | 109.6 | F128 D129 N133 K134 T135 | F128-I131 HydrophobicContact CD1-CD1 4Å; F128-I131 HydrophobicContact CE1-CD1 4.49Å; F128-I131 PolarHBondContact O-N 3.18Å; D129-I131 VanDerWaalsContact C-N 3.33Å; D129-I131 PolarHBondContact O-N 3.2Å; I131-N133 VanDerWaalsContact C-N 3.33Å; I131-N133 PolarHBondContact O-N 3.32Å; I131-K134 PolarHBondContact O-N 2.88Å; I131-T135 PolarHBondContact O-N 3.31Å; I131-T135 PolarHBondContact O-OG1 3.11Å |
| 132 | I | 86.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.1 | -47.8 | 177.6 | -65.5 | 173 | 0 | 0 | 0 | 109.9 | F128 D129 K134 T135 V136 V162 L165 Y175 | F128-I132 HydrophobicContact CB-CD1 4.28Å; F128-I132 HydrophobicContact CB-CG1 4.44Å; F128-I132 WeakPolarHBondContact O-CG1 3.41Å; F128-I132 PolarHBondContact O-N 3.3Å; D129-I132 PolarHBondContact O-N 3.27Å; I132-K134 PolarHBondContact O-N 3Å; I132-T135 PolarHBondContact O-N 2.86Å; I132-V136 HydrophobicContact CG2-CG2 4.16Å; I132-V136 WeakPolarHBondContact O-CB 3.45Å; I132-V136 VanDerWaalsContact O-CG2 3.22Å; I132-V136 WeakPolarHBondContact O-CG2 3.14Å; I132-V136 PolarHBondContact O-N 3.37Å; I132-V162 HydrophobicContact CG2-CG1 4.4Å; I132-L165 HydrophobicContact CG2-CB 3.81Å; I132-L165 HydrophobicContact CG2-CD1 4.11Å; I132-Y175 HydrophobicContact CB-CE2 4.46Å; I132-Y175 HydrophobicContact CD1-CD2 4.3Å; I132-Y175 HydrophobicContact CD1-CE2 4.31Å; I132-Y175 HydrophobicContact CG1-CD2 4.05Å; I132-Y175 HydrophobicContact CG1-CE1 4.34Å; I132-Y175 HydrophobicContact CG1-CE2 3.66Å; I132-Y175 HydrophobicContact CG2-CE2 4.41Å |
| 133 | N | 86.9 | Confident | 81.9 | Confident | 45 Ų | 45 | 60.6 Ų | 60.6 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.9 | -42.3 | -179.9 | -169.8 | 0.2 | 0 | 0 | 0 | 111.8 | D129 I131 K137 V162 | D129-N133 WeakPolarHBondContact O-CB 3.36Å; D129-N133 PolarHBondContact O-N 3.18Å; I131-N133 VanDerWaalsContact C-N 3.33Å; I131-N133 PolarHBondContact O-N 3.32Å; N133-K137 WeakPolarHBondContact O-CB 3.36Å; N133-K137 VanDerWaalsContact O-CG 3.26Å; N133-K137 WeakPolarHBondContact O-CG 3.42Å; N133-K137 PolarHBondContact O-N 3.39Å; N133-K137 WeakPolarHBondContact OD1-CE 3.46Å; N133-K137 PolarHBondContact OD1-NZ 3.06Å; N133-V162 HydrophobicContact CB-CG1 4.25Å; N133-V162 HydrophobicContact CB-CG2 4.44Å |
| 134 | K | 88.1 | Confident | 81.2 | Confident | 132 Ų | 132 | 63.1 Ų | 63.1 | 57% | 0.574 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61 | -49.4 | 174.7 | -176.6 | 179.1 | 173.9 | -177.2 | 0 | 111.4 | D130 I131 I132 K137 E138 | D130-K134 WeakPolarHBondContact O-CB 3.48Å; D130-K134 PolarHBondContact O-N 2.91Å; I131-K134 PolarHBondContact O-N 2.88Å; I132-K134 PolarHBondContact O-N 3Å; K134-K137 WeakPolarHBondContact O-CB 3.43Å; K134-K137 PolarHBondContact O-N 3Å; K134-E138 WeakPolarHBondContact CE-OE1 3.35Å; K134-E138 WeakPolarHBondContact O-CG 3.44Å; K134-E138 PolarHBondContact O-N 2.87Å |
| 135 | T | 84.9 | Confident | 80.4 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 12% | 0.117 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 178.9 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | I131 I132 K137 E138 I139 Y175 P177 I180 | I131-T135 PolarHBondContact O-N 3.31Å; I131-T135 PolarHBondContact O-OG1 3.11Å; I132-T135 PolarHBondContact O-N 2.86Å; T135-K137 VanDerWaalsContact C-N 3.27Å; T135-K137 PolarHBondContact O-N 3.17Å; T135-E138 PolarHBondContact O-N 2.71Å; T135-I139 HydrophobicContact CG2-CD1 3.85Å; T135-I139 HydrophobicContact CG2-CG1 4.42Å; T135-I139 PolarHBondContact O-N 3.02Å; T135-Y175 WeakPolarHBondContact CB-OH 3.35Å; T135-Y175 PolarHBondContact OG1-OH 3.36Å; T135-P177 HydrophobicContact CG2-CB 3.58Å; T135-P177 HydrophobicContact CG2-CG 4.05Å; T135-I180 HydrophobicContact CG2-CD1 3.87Å |
| 136 | V | 85.8 | Confident | 79.5 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.5 | -42.2 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 110.1 | I132 S140 V162 L165 I180 | I132-V136 HydrophobicContact CG2-CG2 4.16Å; I132-V136 WeakPolarHBondContact O-CB 3.45Å; I132-V136 VanDerWaalsContact O-CG2 3.22Å; I132-V136 WeakPolarHBondContact O-CG2 3.14Å; I132-V136 PolarHBondContact O-N 3.37Å; V136-S140 WeakPolarHBondContact O-CA 3.45Å; V136-S140 WeakPolarHBondContact O-CB 3.36Å; V136-S140 PolarHBondContact O-N 3.28Å; V136-S140 PolarHBondContact O-OG 3.29Å; V136-V162 HydrophobicContact CB-CG2 4Å; V136-V162 HydrophobicContact CG1-CG2 3.92Å; V136-V162 HydrophobicContact CG2-CG2 4.09Å; V136-L165 HydrophobicContact CG2-CD1 3.74Å; V136-I180 HydrophobicContact CB-CD1 4.27Å; V136-I180 HydrophobicContact CG2-CD1 3.6Å; V136-I180 HydrophobicContact CG2-CG1 4Å |
| 137 | K | 84 | Confident | 78.6 | Confident | 108 Ų | 108 | 65.4 Ų | 65.4 | 47% | 0.47 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 176.6 | -78.5 | 170 | 177.3 | 167.9 | 0 | 112.2 | N133 K134 T135 S140 L141 | N133-K137 WeakPolarHBondContact O-CB 3.36Å; N133-K137 VanDerWaalsContact O-CG 3.26Å; N133-K137 WeakPolarHBondContact O-CG 3.42Å; N133-K137 PolarHBondContact O-N 3.39Å; N133-K137 WeakPolarHBondContact OD1-CE 3.46Å; N133-K137 PolarHBondContact OD1-NZ 3.06Å; K134-K137 WeakPolarHBondContact O-CB 3.43Å; K134-K137 PolarHBondContact O-N 3Å; T135-K137 VanDerWaalsContact C-N 3.27Å; T135-K137 PolarHBondContact O-N 3.17Å; K137-S140 WeakPolarHBondContact CA-OG 3.28Å; K137-S140 PolarHBondContact O-N 3.11Å; K137-S140 PolarHBondContact O-OG 3.19Å; K137-L141 PolarHBondContact O-N 3.32Å |
| 138 | E | 82.1 | Confident | 77.4 | Confident | 113 Ų | 113 | 63 Ų | 63 | 53% | 0.528 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.4 | -52.8 | 179.6 | -73.1 | 170.4 | -178.3 | 0 | 0 | 111.7 | K134 T135 S140 L141 E142 | K134-E138 WeakPolarHBondContact CE-OE1 3.35Å; K134-E138 WeakPolarHBondContact O-CG 3.44Å; K134-E138 PolarHBondContact O-N 2.87Å; T135-E138 PolarHBondContact O-N 2.71Å; E138-S140 VanDerWaalsContact C-N 3.33Å; E138-S140 PolarHBondContact O-N 3.15Å; E138-L141 WeakPolarHBondContact O-CB 2.95Å; E138-L141 PolarHBondContact O-N 2.88Å; E138-E142 PolarHBondContact O-N 2.82Å |
| 139 | I | 79 | Confident | 76.1 | Confident | 18 Ų | 18 | 65 Ų | 65 | 9% | 0.092 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.8 | -36.7 | 179 | -65.3 | 179.3 | 0 | 0 | 0 | 110.9 | T135 L141 E142 L143 P177 I180 Y181 | T135-I139 HydrophobicContact CG2-CD1 3.85Å; T135-I139 HydrophobicContact CG2-CG1 4.42Å; T135-I139 PolarHBondContact O-N 3.02Å; I139-L141 VanDerWaalsContact C-N 3.3Å; I139-L141 PolarHBondContact O-N 3.38Å; I139-E142 WeakPolarHBondContact O-CB 3.2Å; I139-E142 PolarHBondContact O-N 3.31Å; I139-L143 HydrophobicContact CG2-CD1 3.75Å; I139-L143 HydrophobicContact CG2-CG 4.21Å; I139-L143 WeakPolarHBondContact O-CG 3.35Å; I139-L143 PolarHBondContact O-N 2.83Å; I139-P177 HydrophobicContact CD1-CB 4.45Å; I139-I180 HydrophobicContact CB-CD1 4.44Å; I139-I180 HydrophobicContact CB-CG2 4.37Å; I139-I180 HydrophobicContact CD1-CB 4.42Å; I139-I180 HydrophobicContact CD1-CD1 3.78Å; I139-I180 HydrophobicContact CG2-CB 4.37Å; I139-I180 HydrophobicContact CG2-CG2 3.72Å; I139-Y181 HydrophobicContact CD1-CE2 3.97Å; I139-Y181 HydrophobicContact CG2-CE1 3.94Å; I139-Y181 HydrophobicContact CG2-CE2 4.1Å |
| 140 | S | 77.2 | Confident | 74.8 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.007 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63 | -37.7 | 177.5 | 72.1 | 0 | 0 | 0 | 0 | 112.2 | V136 K137 E138 E142 L143 E144 F154 K158 | V136-S140 WeakPolarHBondContact O-CA 3.45Å; V136-S140 WeakPolarHBondContact O-CB 3.36Å; V136-S140 PolarHBondContact O-N 3.28Å; V136-S140 PolarHBondContact O-OG 3.29Å; K137-S140 WeakPolarHBondContact CA-OG 3.28Å; K137-S140 PolarHBondContact O-N 3.11Å; K137-S140 PolarHBondContact O-OG 3.19Å; E138-S140 VanDerWaalsContact C-N 3.33Å; E138-S140 PolarHBondContact O-N 3.15Å; S140-E142 VanDerWaalsContact C-N 3.32Å; S140-E142 PolarHBondContact O-N 2.82Å; S140-L143 PolarHBondContact O-N 2.95Å; S140-E144 WeakPolarHBondContact O-CB 3.3Å; S140-E144 PolarHBondContact O-N 2.95Å; S140-F154 WeakPolarHBondContact O-CE1 3.3Å; S140-F154 WeakPolarHBondContact O-CZ 3.34Å; S140-K158 WeakPolarHBondContact OG-CE 3.42Å; S140-K158 PolarHBondContact OG-NZ 3.27Å |
| 141 | L | 75.5 | Confident | 73.6 | Confident | 111 Ų | 111 | 65 Ų | 65 | 58% | 0.581 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.4 | -41.1 | 177.7 | -164.6 | 94.3 | 0 | 0 | 0 | 110.9 | K137 E138 I139 I145 | K137-L141 PolarHBondContact O-N 3.32Å; E138-L141 WeakPolarHBondContact O-CB 2.95Å; E138-L141 PolarHBondContact O-N 2.88Å; I139-L141 VanDerWaalsContact C-N 3.3Å; I139-L141 PolarHBondContact O-N 3.38Å; L141-I145 WeakPolarHBondContact O-CG1 3.3Å |
| 142 | E | 72.9 | Confident | 72.4 | Confident | 78 Ų | 78 | 68.1 Ų | 68.1 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65 | -45.3 | 177.1 | -164.4 | -150 | 140.9 | 0 | 0 | 111.9 | E138 I139 S140 K146 Y181 | E138-E142 PolarHBondContact O-N 2.82Å; I139-E142 WeakPolarHBondContact O-CB 3.2Å; I139-E142 PolarHBondContact O-N 3.31Å; S140-E142 VanDerWaalsContact C-N 3.32Å; S140-E142 PolarHBondContact O-N 2.82Å; E142-K146 IonicContact OE1-NZ 2.68Å; E142-K146 PolarHBondContact OE1-NZ 2.82Å; E142-Y181 PolarHBondContact OE2-OH 3.07Å; E142-Y181 VanDerWaalsContact OE2-OH 3.04Å |
| 143 | L | 72.8 | Confident | 71.2 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.5 | -35.5 | 179.5 | -69.9 | 171.9 | 0 | 0 | 0 | 112.3 | I139 S140 I145 K146 F147 F154 Y181 L184 | I139-L143 HydrophobicContact CG2-CD1 3.75Å; I139-L143 HydrophobicContact CG2-CG 4.21Å; I139-L143 WeakPolarHBondContact O-CG 3.35Å; I139-L143 PolarHBondContact O-N 2.83Å; S140-L143 PolarHBondContact O-N 2.95Å; L143-I145 VanDerWaalsContact C-N 3.29Å; L143-I145 PolarHBondContact O-N 2.94Å; L143-K146 WeakPolarHBondContact O-CA 3.38Å; L143-K146 WeakPolarHBondContact O-CB 3.33Å; L143-K146 PolarHBondContact O-N 2.83Å; L143-F147 HydrophobicContact CB-CD2 4.29Å; L143-F147 HydrophobicContact CD2-CD2 4.43Å; L143-F147 HydrophobicContact CD2-CE2 3.9Å; L143-F147 VanDerWaalsContact O-CD2 3.29Å; L143-F147 WeakPolarHBondContact O-CD2 3.46Å; L143-F147 PolarHBondContact O-N 3.08Å; L143-F154 HydrophobicContact CB-CE2 3.64Å; L143-F154 HydrophobicContact CB-CZ 3.48Å; L143-F154 VanDerWaalsContact CB-CZ 3.48Å; L143-F154 HydrophobicContact CD1-CE2 4.3Å; L143-F154 HydrophobicContact CD1-CZ 4.33Å; L143-Y181 HydrophobicContact CD1-CD1 4.49Å; L143-Y181 HydrophobicContact CD1-CE1 4.4Å; L143-Y181 HydrophobicContact CD2-CD1 4.2Å; L143-Y181 HydrophobicContact CD2-CE1 3.94Å; L143-Y181 HydrophobicContact CG-CE1 4.31Å; L143-L184 HydrophobicContact CD1-CD2 4.29Å; L143-L184 HydrophobicContact CD2-CD2 4.36Å |
| 144 | E | 69.9 | Low | 70.3 | Confident | 71 Ų | 71 | 69.2 Ų | 69.2 | 33% | 0.332 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.1 | -36.7 | -179.6 | -171.3 | 169.6 | -173.3 | 0 | 0 | 112.1 | S140 K146 K148 F154 | S140-E144 WeakPolarHBondContact O-CB 3.3Å; S140-E144 PolarHBondContact O-N 2.95Å; E144-K146 PolarHBondContact O-N 3.09Å; E144-K148 WeakPolarHBondContact O-CG 3.39Å; E144-K148 PolarHBondContact O-N 2.68Å; E144-F154 HydrophobicContact CB-CD1 3.98Å; E144-F154 HydrophobicContact CB-CE1 3.69Å; E144-F154 HydrophobicContact CB-CZ 4.44Å; E144-F154 HydrophobicContact CG-CD1 4.14Å; E144-F154 HydrophobicContact CG-CE1 4.34Å |
| 145 | I | 65.3 | Low | 69.5 | Low | 113 Ų | 113 | 69.4 Ų | 69.4 | 58% | 0.579 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.5 | -32.5 | 174.4 | -64.7 | 166.5 | 0 | 0 | 0 | 110.9 | L141 L143 | L141-I145 WeakPolarHBondContact O-CG1 3.3Å; L143-I145 VanDerWaalsContact C-N 3.29Å; L143-I145 PolarHBondContact O-N 2.94Å |
| 146 | K | 63.1 | Low | 69 | Low | 40 Ų | 40 | 72.1 Ų | 72.1 | 17% | 0.174 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -87.8 | -33 | -175.9 | -64.5 | 171.7 | 171.5 | 176.8 | 0 | 113 | E142 L143 E144 G288 | E142-K146 IonicContact OE1-NZ 2.68Å; E142-K146 PolarHBondContact OE1-NZ 2.82Å; L143-K146 WeakPolarHBondContact O-CA 3.38Å; L143-K146 WeakPolarHBondContact O-CB 3.33Å; L143-K146 PolarHBondContact O-N 2.83Å; E144-K146 PolarHBondContact O-N 3.09Å; K146-G288 WeakPolarHBondContact CD-O 3.35Å; K146-G288 WeakPolarHBondContact CE-O 3.41Å; K146-G288 PolarHBondContact NZ-O 2.56Å |
| 147 | F | 62.8 | Low | 68.7 | Low | 13 Ų | 13 | 72.1 Ų | 72.1 | 6% | 0.057 | 34% | 0.335 | C | S | . | . | trans | -106.6 | 34.3 | -178 | -64.5 | -75.4 | 0 | 0 | 0 | 113.9 | L143 N149 Q150 L184 L295 | L143-F147 HydrophobicContact CB-CD2 4.29Å; L143-F147 HydrophobicContact CD2-CD2 4.43Å; L143-F147 HydrophobicContact CD2-CE2 3.9Å; L143-F147 VanDerWaalsContact O-CD2 3.29Å; L143-F147 WeakPolarHBondContact O-CD2 3.46Å; L143-F147 PolarHBondContact O-N 3.08Å; F147-N149 PolarHBondContact O-N 2.87Å; F147-Q150 PolarHBondContact O-N 2.78Å; F147-L184 HydrophobicContact CE2-CD2 3.89Å; F147-L184 HydrophobicContact CZ-CD2 4.23Å; F147-L295 HydrophobicContact CZ-CD2 4.47Å | ||
| 148 | K | 54.9 | Low | 68.5 | Low | 113 Ų | 113 | 70.2 Ų | 70.2 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -50.3 | -30.5 | -175.7 | -76.4 | -176.3 | 179.9 | -179.8 | 0 | 115.2 | E144 Q150 Q151 | E144-K148 WeakPolarHBondContact O-CG 3.39Å; E144-K148 PolarHBondContact O-N 2.68Å; K148-Q150 PolarHBondContact O-N 2.9Å; K148-Q151 WeakPolarHBondContact O-CG 2.85Å |
| 149 | N | 51.9 | Low | 68.3 | Low | 126 Ų | 126 | 70.2 Ų | 70.2 | 67% | 0.674 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -74.6 | -8.5 | -179.8 | -63 | -11.2 | 0 | 0 | 0 | 113.7 | F147 | F147-N149 PolarHBondContact O-N 2.87Š|
| 150 | Q | 56.8 | Low | 68.7 | Low | 51 Ų | 51 | 69.5 Ų | 69.5 | 24% | 0.238 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -120.3 | 27.7 | -174.7 | -65.5 | -177.6 | -27.2 | 0 | 0 | 113.1 | F147 K148 K152 Q153 F154 F188 S292 | F147-Q150 PolarHBondContact O-N 2.78Å; K148-Q150 PolarHBondContact O-N 2.9Å; Q150-K152 VanDerWaalsContact C-N 3.29Å; Q150-K152 PolarHBondContact O-N 3.46Å; Q150-K152 VanDerWaalsContact O-N 3.11Å; Q150-Q153 PolarHBondContact O-N 2.8Å; Q150-Q153 VanDerWaalsContact O-N 3.07Å; Q150-F154 WeakPolarHBondContact O-CB 3.5Å; Q150-F154 PolarHBondContact O-N 2.84Å; Q150-F188 VanDerWaalsContact OE1-CE2 3.24Å; Q150-S292 PolarHBondContact NE2-OG 2.92Å |
| 151 | Q | 58.7 | Low | 69.2 | Low | 120 Ų | 120 | 69.4 Ų | 69.4 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -48.3 | -42.9 | -174.8 | -83.4 | 179.5 | -3.9 | 0 | 0 | 114.8 | K148 F154 K155 | K148-Q151 WeakPolarHBondContact O-CG 2.85Å; Q151-F154 PolarHBondContact O-N 3.25Å; Q151-K155 WeakPolarHBondContact O-CB 3.33Å; Q151-K155 PolarHBondContact O-N 3Å |
| 152 | K | 60.9 | Low | 69.9 | Low | 158 Ų | 158 | 65 Ų | 65 | 69% | 0.687 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.8 | -45.6 | -179.1 | -170.5 | -177.4 | 176.1 | -170 | 0 | 112.1 | Q150 F154 R156 | Q150-K152 VanDerWaalsContact C-N 3.29Å; Q150-K152 PolarHBondContact O-N 3.46Å; Q150-K152 VanDerWaalsContact O-N 3.11Å; K152-F154 VanDerWaalsContact C-N 3.34Å; K152-R156 PolarHBondContact O-N 3.29Å |
| 153 | Q | 62 | Low | 70.7 | Confident | 64 Ų | 64 | 64.8 Ų | 64.8 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 177 | -66.7 | 178.3 | -1.7 | 0 | 0 | 110.7 | Q150 R156 F157 F188 | Q150-Q153 PolarHBondContact O-N 2.8Å; Q150-Q153 VanDerWaalsContact O-N 3.07Å; Q153-R156 PolarHBondContact O-N 3.47Å; Q153-F157 WeakPolarHBondContact O-CB 3.48Å; Q153-F157 PolarHBondContact O-N 3.16Å; Q153-F188 HydrophobicContact CB-CE1 4.35Å |
| 154 | F | 68.2 | Low | 71.6 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 1% | 0.013 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.7 | -37.4 | -179.2 | -161.2 | -96.7 | 0 | 0 | 0 | 113.1 | S140 L143 E144 Q150 Q151 K152 R156 F157 K158 L184 | S140-F154 WeakPolarHBondContact O-CE1 3.3Å; S140-F154 WeakPolarHBondContact O-CZ 3.34Å; L143-F154 HydrophobicContact CB-CE2 3.64Å; L143-F154 HydrophobicContact CB-CZ 3.48Å; L143-F154 VanDerWaalsContact CB-CZ 3.48Å; L143-F154 HydrophobicContact CD1-CE2 4.3Å; L143-F154 HydrophobicContact CD1-CZ 4.33Å; E144-F154 HydrophobicContact CB-CD1 3.98Å; E144-F154 HydrophobicContact CB-CE1 3.69Å; E144-F154 HydrophobicContact CB-CZ 4.44Å; E144-F154 HydrophobicContact CG-CD1 4.14Å; E144-F154 HydrophobicContact CG-CE1 4.34Å; Q150-F154 WeakPolarHBondContact O-CB 3.5Å; Q150-F154 PolarHBondContact O-N 2.84Å; Q151-F154 PolarHBondContact O-N 3.25Å; K152-F154 VanDerWaalsContact C-N 3.34Å; F154-R156 PolarHBondContact O-N 3.13Å; F154-F157 HydrophobicContact CD2-CD1 4.32Å; F154-F157 AromaticContact CE2-CD1 3.98Å; F154-F157 HydrophobicContact CE2-CD1 3.98Å; F154-F157 HydrophobicContact CE2-CE1 4.36Å; F154-F157 HydrophobicContact CZ-CD1 4.35Å; F154-F157 WeakPolarHBondContact O-CB 3.49Å; F154-F157 PolarHBondContact O-N 3.01Å; F154-K158 WeakPolarHBondContact O-CB 3.31Å; F154-K158 PolarHBondContact O-N 2.98Å; F154-L184 HydrophobicContact CD2-CD1 4.39Å; F154-L184 HydrophobicContact CE2-CD1 4.14Å |
| 155 | K | 70.6 | Confident | 72.7 | Confident | 137 Ų | 137 | 61.5 Ų | 61.5 | 60% | 0.596 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.7 | -46.5 | 174 | -174 | 179.5 | 177.8 | -176.7 | 0 | 111.4 | Q151 K158 E159 | Q151-K155 WeakPolarHBondContact O-CB 3.33Å; Q151-K155 PolarHBondContact O-N 3Å; K155-K158 WeakPolarHBondContact O-CB 3.49Å; K155-K158 PolarHBondContact O-N 3.35Å; K155-E159 WeakPolarHBondContact CE-OE1 2.99Å; K155-E159 WeakPolarHBondContact O-CG 3.2Å; K155-E159 PolarHBondContact O-N 2.82Å; K155-E159 VanDerWaalsContact O-N 3.12Å |
| 156 | R | 73.6 | Confident | 73.9 | Confident | 75 Ų | 75 | 56.1 Ų | 56.1 | 28% | 0.283 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.2 | -39.7 | 177.6 | -169.6 | 170.6 | -178.7 | 153.2 | 6.7 | 112.2 | K152 Q153 F154 K158 E159 Q160 E193 | K152-R156 PolarHBondContact O-N 3.29Å; Q153-R156 PolarHBondContact O-N 3.47Å; F154-R156 PolarHBondContact O-N 3.13Å; R156-K158 VanDerWaalsContact C-N 3.32Å; R156-K158 PolarHBondContact O-N 2.97Å; R156-E159 PolarHBondContact O-N 3.05Å; R156-Q160 HydrophobicContact CG-CG 4.44Å; R156-Q160 WeakPolarHBondContact O-CB 3.49Å; R156-Q160 WeakPolarHBondContact O-CG 3.46Å; R156-Q160 PolarHBondContact O-N 3.47Å; R156-E193 IonicContact CZ-OE1 3.63Å; R156-E193 IonicContact NH1-OE1 3.21Å; R156-E193 PolarHBondContact NH1-OE1 2.7Å |
| 157 | F | 79.9 | Confident | 75.3 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.5 | -47.7 | 171.7 | 171.8 | -105.1 | 0 | 0 | 0 | 111.3 | Q153 F154 E159 Q160 S161 I180 L183 L184 H187 | Q153-F157 WeakPolarHBondContact O-CB 3.48Å; Q153-F157 PolarHBondContact O-N 3.16Å; F154-F157 HydrophobicContact CD2-CD1 4.32Å; F154-F157 AromaticContact CE2-CD1 3.98Å; F154-F157 HydrophobicContact CE2-CD1 3.98Å; F154-F157 HydrophobicContact CE2-CE1 4.36Å; F154-F157 HydrophobicContact CZ-CD1 4.35Å; F154-F157 WeakPolarHBondContact O-CB 3.49Å; F154-F157 PolarHBondContact O-N 3.01Å; F157-E159 PolarHBondContact O-N 2.78Å; F157-Q160 PolarHBondContact O-N 2.79Å; F157-S161 WeakPolarHBondContact CD2-OG 3.07Å; F157-S161 WeakPolarHBondContact CE2-OG 3.44Å; F157-S161 VanDerWaalsContact CZ-OG 3.29Å; F157-S161 WeakPolarHBondContact CZ-OG 2.81Å; F157-S161 WeakPolarHBondContact O-CB 3.36Å; F157-S161 PolarHBondContact O-N 2.74Å; F157-S161 PolarHBondContact O-OG 2.77Å; F157-I180 HydrophobicContact CE1-CG2 4.34Å; F157-I180 HydrophobicContact CZ-CG2 4.16Å; F157-L183 HydrophobicContact CE2-CB 4.34Å; F157-L183 HydrophobicContact CE2-CD2 4.33Å; F157-L183 HydrophobicContact CE2-CG 4.02Å; F157-L184 HydrophobicContact CD1-CD1 3.72Å; F157-L184 HydrophobicContact CD2-CD1 4.02Å; F157-L184 HydrophobicContact CE1-CB 4.39Å; F157-L184 HydrophobicContact CE1-CD1 3.6Å; F157-L184 VanDerWaalsContact CE2-CA 3.47Å; F157-L184 HydrophobicContact CE2-CB 3.96Å; F157-L184 HydrophobicContact CE2-CD1 3.89Å; F157-L184 HydrophobicContact CG-CD1 3.93Å; F157-L184 HydrophobicContact CZ-CB 3.72Å; F157-L184 HydrophobicContact CZ-CD1 3.68Å; F157-L184 HydrophobicContact CZ-CG 4.35Å; F157-H187 HydrophobicContact CD2-CB 3.69Å; F157-H187 AromaticContact CD2-CD2 3.73Å; F157-H187 AromaticContact CD2-CG 3.63Å; F157-H187 HydrophobicContact CE2-CB 4.12Å |
| 158 | K | 80.1 | Confident | 76.7 | Confident | 68 Ų | 68 | 53.6 Ų | 53.6 | 30% | 0.296 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.5 | -45.6 | 178.5 | -175.8 | 177.3 | -176.7 | 165.1 | 0 | 112.4 | S140 F154 K155 R156 | S140-K158 WeakPolarHBondContact OG-CE 3.42Å; S140-K158 PolarHBondContact OG-NZ 3.27Å; F154-K158 WeakPolarHBondContact O-CB 3.31Å; F154-K158 PolarHBondContact O-N 2.98Å; K155-K158 WeakPolarHBondContact O-CB 3.49Å; K155-K158 PolarHBondContact O-N 3.35Å; R156-K158 VanDerWaalsContact C-N 3.32Å; R156-K158 PolarHBondContact O-N 2.97Å |
| 159 | E | 78.7 | Confident | 78.4 | Confident | 113 Ų | 113 | 49.6 Ų | 49.6 | 53% | 0.528 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.4 | -40.8 | 179.4 | -71.1 | 170.3 | -173.2 | 0 | 0 | 112.5 | K155 R156 F157 | K155-E159 WeakPolarHBondContact CE-OE1 2.99Å; K155-E159 WeakPolarHBondContact O-CG 3.2Å; K155-E159 PolarHBondContact O-N 2.82Å; K155-E159 VanDerWaalsContact O-N 3.12Å; R156-E159 PolarHBondContact O-N 3.05Å; F157-E159 PolarHBondContact O-N 2.78Å |
| 160 | Q | 86.4 | Confident | 80.2 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -81 | -31.1 | -179.1 | -69.4 | -172.6 | -19.1 | 0 | 0 | 113.3 | R156 F157 V162 K163 I164 H187 | R156-Q160 HydrophobicContact CG-CG 4.44Å; R156-Q160 WeakPolarHBondContact O-CB 3.49Å; R156-Q160 WeakPolarHBondContact O-CG 3.46Å; R156-Q160 PolarHBondContact O-N 3.47Å; F157-Q160 PolarHBondContact O-N 2.79Å; Q160-V162 VanDerWaalsContact C-N 3.31Å; Q160-V162 PolarHBondContact O-N 3.26Å; Q160-K163 PolarHBondContact O-N 2.91Å; Q160-K163 VanDerWaalsContact O-N 3.1Å; Q160-I164 HydrophobicContact CB-CD1 3.95Å; Q160-I164 WeakPolarHBondContact O-CD1 3.42Å; Q160-I164 VanDerWaalsContact O-CG1 3.24Å; Q160-I164 WeakPolarHBondContact O-CG1 3.34Å; Q160-I164 PolarHBondContact O-N 2.88Å; Q160-H187 PolarHBondContact OE1-CE1 2.85Å |
| 161 | S | 88.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.8 | -40.4 | -175.1 | -70 | 0 | 0 | 0 | 0 | 112.9 | F157 I164 L165 | F157-S161 WeakPolarHBondContact CD2-OG 3.07Å; F157-S161 WeakPolarHBondContact CE2-OG 3.44Å; F157-S161 VanDerWaalsContact CZ-OG 3.29Å; F157-S161 WeakPolarHBondContact CZ-OG 2.81Å; F157-S161 WeakPolarHBondContact O-CB 3.36Å; F157-S161 PolarHBondContact O-N 2.74Å; F157-S161 PolarHBondContact O-OG 2.77Å; S161-I164 PolarHBondContact O-N 3.34Å; S161-L165 WeakPolarHBondContact O-CB 3.26Å; S161-L165 VanDerWaalsContact O-CG 3.28Å; S161-L165 WeakPolarHBondContact O-CG 3.23Å; S161-L165 PolarHBondContact O-N 3.5Å |
| 162 | V | 89.8 | Confident | 83.1 | Confident | 18 Ų | 18 | 38.1 Ų | 38.1 | 11% | 0.109 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.8 | -49.2 | 176.2 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | D129 I132 N133 V136 Q160 I164 L165 N166 | D129-V162 WeakPolarHBondContact OD1-CG1 3.32Å; I132-V162 HydrophobicContact CG2-CG1 4.4Å; N133-V162 HydrophobicContact CB-CG1 4.25Å; N133-V162 HydrophobicContact CB-CG2 4.44Å; V136-V162 HydrophobicContact CB-CG2 4Å; V136-V162 HydrophobicContact CG1-CG2 3.92Å; V136-V162 HydrophobicContact CG2-CG2 4.09Å; Q160-V162 VanDerWaalsContact C-N 3.31Å; Q160-V162 PolarHBondContact O-N 3.26Å; V162-I164 PolarHBondContact O-N 3.38Å; V162-L165 PolarHBondContact O-N 2.91Å; V162-N166 PolarHBondContact O-N 2.87Å; V162-N166 PolarHBondContact O-ND2 3.15Å |
| 163 | K | 90.5 | Very high | 84.3 | Confident | 74 Ų | 74 | 34.9 Ų | 34.9 | 32% | 0.322 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 179 | -59.2 | 179.9 | -172.5 | 174.2 | 0 | 111.5 | Q160 N166 V167 E216 I220 | Q160-K163 PolarHBondContact O-N 2.91Å; Q160-K163 VanDerWaalsContact O-N 3.1Å; K163-N166 PolarHBondContact O-N 3.45Å; K163-V167 WeakPolarHBondContact O-CG2 3.33Å; K163-V167 PolarHBondContact O-N 3.32Å; K163-E216 IonicContact NZ-OE1 3.02Å; K163-E216 PolarHBondContact NZ-OE1 2.9Å; K163-E216 IonicContact NZ-OE2 3.94Å; K163-I220 HydrophobicContact CB-CD1 4.04Å; K163-I220 HydrophobicContact CB-CG1 4.43Å; K163-I220 HydrophobicContact CB-CG2 4.05Å; K163-I220 HydrophobicContact CD-CD1 3.52Å; K163-I220 HydrophobicContact CG-CD1 4.44Å |
| 164 | I | 91.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.3 | -46.4 | -179.1 | -65.9 | 160.5 | 0 | 0 | 0 | 111.1 | Q160 S161 V162 N166 V167 F168 L183 I220 F223 A224 | Q160-I164 HydrophobicContact CB-CD1 3.95Å; Q160-I164 WeakPolarHBondContact O-CD1 3.42Å; Q160-I164 VanDerWaalsContact O-CG1 3.24Å; Q160-I164 WeakPolarHBondContact O-CG1 3.34Å; Q160-I164 PolarHBondContact O-N 2.88Å; S161-I164 PolarHBondContact O-N 3.34Å; V162-I164 PolarHBondContact O-N 3.38Å; I164-N166 VanDerWaalsContact C-N 3.35Å; I164-N166 PolarHBondContact O-N 2.94Å; I164-V167 PolarHBondContact O-N 3.5Å; I164-F168 WeakPolarHBondContact O-CB 3.45Å; I164-F168 PolarHBondContact O-N 2.98Å; I164-L183 HydrophobicContact CB-CD2 3.98Å; I164-L183 HydrophobicContact CD1-CD1 4.28Å; I164-L183 HydrophobicContact CD1-CD2 4.07Å; I164-L183 HydrophobicContact CG2-CD1 3.75Å; I164-L183 HydrophobicContact CG2-CD2 3.77Å; I164-L183 HydrophobicContact CG2-CG 4.44Å; I164-I220 HydrophobicContact CG1-CB 4.34Å; I164-I220 HydrophobicContact CG1-CG1 4.38Å; I164-I220 HydrophobicContact CG1-CG2 3.98Å; I164-F223 HydrophobicContact CD1-CB 3.89Å; I164-F223 HydrophobicContact CD1-CD2 3.73Å; I164-F223 HydrophobicContact CD1-CG 4.3Å; I164-F223 HydrophobicContact CG1-CB 4.2Å; I164-F223 HydrophobicContact CG2-CB 4.18Å; I164-A224 HydrophobicContact CG2-CB 4.11Å |
| 165 | L | 91.9 | Very high | 86.1 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.3 | -33.7 | -179.8 | -69.7 | 169.3 | 0 | 0 | 0 | 112.2 | I132 V136 S161 V162 F168 Y169 I180 L183 L227 | I132-L165 HydrophobicContact CG2-CB 3.81Å; I132-L165 HydrophobicContact CG2-CD1 4.11Å; V136-L165 HydrophobicContact CG2-CD1 3.74Å; S161-L165 WeakPolarHBondContact O-CB 3.26Å; S161-L165 VanDerWaalsContact O-CG 3.28Å; S161-L165 WeakPolarHBondContact O-CG 3.23Å; S161-L165 PolarHBondContact O-N 3.5Å; V162-L165 PolarHBondContact O-N 2.91Å; L165-F168 PolarHBondContact O-N 2.91Å; L165-Y169 VanDerWaalsContact O-CB 3.28Å; L165-Y169 WeakPolarHBondContact O-CB 3.28Å; L165-Y169 PolarHBondContact O-N 3.16Å; L165-I180 HydrophobicContact CD1-CD1 4.13Å; L165-I180 HydrophobicContact CD1-CG1 3.46Å; L165-I180 VanDerWaalsContact CD1-CG1 3.46Å; L165-L183 HydrophobicContact CG-CD2 4.39Å; L165-L227 HydrophobicContact CD2-CD2 3.95Å |
| 166 | N | 91.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.7 | -43.6 | 171.3 | -84.1 | -70.9 | 0 | 0 | 0 | 112.5 | P123 T124 S126 D129 V162 K163 I164 F168 Y169 T170 | P123-N166 CarbonylContact O-C 3.41Å; T124-N166 VanDerWaalsContact O-CB 3.22Å; T124-N166 WeakPolarHBondContact O-CB 3.22Å; S126-N166 VanDerWaalsContact CB-OD1 3.22Å; S126-N166 WeakPolarHBondContact CB-OD1 3.36Å; S126-N166 PolarHBondContact N-OD1 2.99Å; S126-N166 PolarHBondContact OG-OD1 2.71Å; D129-N166 PolarHBondContact OD1-ND2 3.17Å; V162-N166 PolarHBondContact O-N 2.87Å; V162-N166 PolarHBondContact O-ND2 3.15Å; K163-N166 PolarHBondContact O-N 3.45Å; I164-N166 VanDerWaalsContact C-N 3.35Å; I164-N166 PolarHBondContact O-N 2.94Å; N166-F168 VanDerWaalsContact C-N 3.34Å; N166-Y169 PolarHBondContact O-N 2.81Å; N166-T170 WeakPolarHBondContact O-CB 3.36Å; N166-T170 PolarHBondContact O-N 2.79Å; N166-T170 PolarHBondContact O-OG1 2.79Å |
| 167 | V | 92.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 175.9 | 170.8 | 0 | 0 | 0 | 0 | 110.3 | F107 L111 P123 T124 K163 I164 T170 A171 I220 Y221 A224 | F107-V167 HydrophobicContact CE1-CG1 4.22Å; F107-V167 HydrophobicContact CZ-CG1 4.19Å; L111-V167 HydrophobicContact CD1-CG1 3.83Å; P123-V167 HydrophobicContact CB-CG2 4.35Å; P123-V167 WeakPolarHBondContact O-CA 3.34Å; P123-V167 PolarHBondContact O-N 3.12Å; T124-V167 HydrophobicContact CG2-CG2 4.03Å; K163-V167 WeakPolarHBondContact O-CG2 3.33Å; K163-V167 PolarHBondContact O-N 3.32Å; I164-V167 PolarHBondContact O-N 3.5Å; V167-T170 PolarHBondContact O-N 3.25Å; V167-A171 PolarHBondContact O-N 2.85Å; V167-I220 HydrophobicContact CG2-CG2 4.01Å; V167-Y221 HydrophobicContact CG1-CD1 3.61Å; V167-Y221 HydrophobicContact CG1-CE1 3.86Å; V167-Y221 HydrophobicContact CG2-CD1 4.3Å; V167-Y221 HydrophobicContact CG2-CE1 3.94Å; V167-A224 HydrophobicContact CB-CB 3.95Å; V167-A224 HydrophobicContact CG1-CB 3.52Å |
| 168 | F | 91.8 | Very high | 86.5 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.2 | -48.6 | 175.6 | 171 | -97.8 | 0 | 0 | 0 | 112 | I164 L165 N166 T170 A171 K172 I174 Y179 A224 L227 I231 | I164-F168 WeakPolarHBondContact O-CB 3.45Å; I164-F168 PolarHBondContact O-N 2.98Å; L165-F168 PolarHBondContact O-N 2.91Å; N166-F168 VanDerWaalsContact C-N 3.34Å; F168-T170 VanDerWaalsContact C-N 3.32Å; F168-T170 PolarHBondContact O-N 2.61Å; F168-A171 PolarHBondContact O-N 2.69Å; F168-K172 HydrophobicContact CD2-CG 4.22Å; F168-K172 HydrophobicContact CE2-CB 4.12Å; F168-K172 HydrophobicContact CE2-CG 3.71Å; F168-K172 HydrophobicContact CZ-CB 4.12Å; F168-K172 HydrophobicContact CZ-CG 4.17Å; F168-K172 PolarHBondContact O-N 3.04Å; F168-I174 HydrophobicContact CE1-CG1 3.86Å; F168-I174 VanDerWaalsContact CE1-O 3.29Å; F168-I174 WeakPolarHBondContact CE1-O 3.06Å; F168-I174 HydrophobicContact CZ-CD1 3.95Å; F168-I174 HydrophobicContact CZ-CG1 3.72Å; F168-Y179 HydrophobicContact CD1-CD2 4.32Å; F168-Y179 AromaticContact CE1-CD2 3.64Å; F168-Y179 HydrophobicContact CE1-CD2 3.64Å; F168-Y179 AromaticContact CE1-CE2 3.54Å; F168-Y179 HydrophobicContact CE1-CE2 3.54Å; F168-Y179 HydrophobicContact CZ-CD2 4.34Å; F168-Y179 HydrophobicContact CZ-CE2 4.03Å; F168-A224 HydrophobicContact CB-CB 4.48Å; F168-L227 HydrophobicContact CB-CD2 4.46Å; F168-L227 HydrophobicContact CD2-CD2 4.37Å; F168-L227 HydrophobicContact CD2-CG 4.4Å; F168-L227 HydrophobicContact CG-CD2 4.2Å; F168-I231 HydrophobicContact CD2-CD1 4.42Å; F168-I231 HydrophobicContact CE1-CD1 4.02Å; F168-I231 HydrophobicContact CE2-CD1 3.52Å; F168-I231 HydrophobicContact CZ-CD1 3.27Å |
| 169 | Y | 91.1 | Very high | 86.8 | Confident | 29 Ų | 29 | 33.7 Ų | 33.7 | 11% | 0.114 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 176.8 | 175.7 | -102 | 0 | 0 | 0 | 111.6 | L118 F128 L165 N166 A171 Q173 | L118-Y169 HydrophobicContact CD1-CD1 4.47Å; L118-Y169 HydrophobicContact CD1-CE1 4.05Å; F128-Y169 HydrophobicContact CD2-CD1 4.4Å; F128-Y169 AromaticContact CD2-CE1 3.49Å; F128-Y169 HydrophobicContact CD2-CE1 3.49Å; F128-Y169 VanDerWaalsContact CD2-CE1 3.49Å; F128-Y169 HydrophobicContact CD2-CE2 4.28Å; F128-Y169 AromaticContact CD2-CZ 3.41Å; F128-Y169 VanDerWaalsContact CD2-CZ 3.41Å; F128-Y169 VanDerWaalsContact CD2-OH 3.28Å; F128-Y169 WeakPolarHBondContact CD2-OH 3.42Å; F128-Y169 HydrophobicContact CE2-CE1 4.06Å; F128-Y169 AromaticContact CE2-CZ 3.61Å; F128-Y169 WeakPolarHBondContact CE2-OH 2.92Å; F128-Y169 HydrophobicContact CG-CE1 4.36Å; L165-Y169 VanDerWaalsContact O-CB 3.28Å; L165-Y169 WeakPolarHBondContact O-CB 3.28Å; L165-Y169 PolarHBondContact O-N 3.16Å; N166-Y169 PolarHBondContact O-N 2.81Å; Y169-A171 VanDerWaalsContact C-N 3.31Å; Y169-A171 PolarHBondContact O-N 2.87Å; Y169-Q173 WeakPolarHBondContact O-CA 3.3Å; Y169-Q173 PolarHBondContact O-N 2.6Å |
| 170 | T | 89.3 | Confident | 87 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.6 | -42.8 | 177 | -58.4 | 0 | 0 | 0 | 0 | 111 | L111 G114 L118 L120 P123 N166 V167 F168 | L111-T170 HydrophobicContact CD1-CG2 4.16Å; G114-T170 VanDerWaalsContact CA-O 3.3Å; G114-T170 WeakPolarHBondContact CA-O 3.33Å; L118-T170 HydrophobicContact CD1-CG2 4.44Å; L120-T170 HydrophobicContact CD1-CG2 4.08Å; P123-T170 HydrophobicContact CB-CG2 4.16Å; P123-T170 PolarHBondContact O-OG1 3.13Å; N166-T170 WeakPolarHBondContact O-CB 3.36Å; N166-T170 PolarHBondContact O-N 2.79Å; N166-T170 PolarHBondContact O-OG1 2.79Å; V167-T170 PolarHBondContact O-N 3.25Å; F168-T170 VanDerWaalsContact C-N 3.32Å; F168-T170 PolarHBondContact O-N 2.61Å |
| 171 | A | 89 | Confident | 86.7 | Confident | 6 Ų | 6 | 28.3 Ų | 28.3 | 5% | 0.05 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -73.7 | -42.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F107 L110 L111 V167 F168 Y169 | F107-A171 HydrophobicContact CD2-CB 4.24Å; F107-A171 HydrophobicContact CE2-CB 3.58Å; F107-A171 HydrophobicContact CZ-CB 3.8Å; L110-A171 HydrophobicContact CB-CB 4.33Å; L111-A171 HydrophobicContact CB-CB 4.42Å; L111-A171 HydrophobicContact CD1-CB 4.16Å; V167-A171 PolarHBondContact O-N 2.85Å; F168-A171 PolarHBondContact O-N 2.69Å; Y169-A171 VanDerWaalsContact C-N 3.31Å; Y169-A171 PolarHBondContact O-N 2.87Å |
| 172 | K | 87.5 | Confident | 86.4 | Confident | 49 Ų | 49 | 29.1 Ų | 29.1 | 21% | 0.213 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -104.7 | -16.6 | -170.7 | -70.8 | -71.2 | -171.8 | 166.2 | 0 | 115.2 | F168 I174 S228 D232 | F168-K172 HydrophobicContact CD2-CG 4.22Å; F168-K172 HydrophobicContact CE2-CB 4.12Å; F168-K172 HydrophobicContact CE2-CG 3.71Å; F168-K172 HydrophobicContact CZ-CB 4.12Å; F168-K172 HydrophobicContact CZ-CG 4.17Å; F168-K172 PolarHBondContact O-N 3.04Å; K172-I174 HydrophobicContact CB-CD1 4.2Å; K172-I174 HydrophobicContact CB-CG1 3.83Å; K172-I174 PolarHBondContact O-N 2.84Å; K172-S228 WeakPolarHBondContact CE-OG 3.44Å; K172-D232 IonicContact NZ-OD1 3.38Å; K172-D232 PolarHBondContact NZ-OD1 3.15Å; K172-D232 IonicContact NZ-OD2 3.78Å; K172-D232 PolarHBondContact NZ-OD2 3.06Å |
| 173 | Q | 86.1 | Confident | 86.3 | Confident | 91 Ų | 91 | 28.2 Ų | 28.2 | 43% | 0.425 | 13% | 0.133 | S | C | . | . | trans | 56.1 | 25.4 | -175.7 | -55 | -172.3 | -19.4 | 0 | 0 | 114 | Y169 | Y169-Q173 WeakPolarHBondContact O-CA 3.3Å; Y169-Q173 PolarHBondContact O-N 2.6Å | ||
| 174 | I | 84.1 | Confident | 86 | Confident | 65 Ų | 65 | 24.7 Ų | 24.7 | 33% | 0.333 | 12% | 0.118 | S | C | . | . | trans | -123.2 | 139.9 | 173.1 | 66.2 | -173 | 0 | 0 | 0 | 108.5 | F168 K172 Y179 I231 | F168-I174 HydrophobicContact CE1-CG1 3.86Å; F168-I174 VanDerWaalsContact CE1-O 3.29Å; F168-I174 WeakPolarHBondContact CE1-O 3.06Å; F168-I174 HydrophobicContact CZ-CD1 3.95Å; F168-I174 HydrophobicContact CZ-CG1 3.72Å; K172-I174 HydrophobicContact CB-CD1 4.2Å; K172-I174 HydrophobicContact CB-CG1 3.83Å; K172-I174 PolarHBondContact O-N 2.84Å; I174-Y179 HydrophobicContact CG1-CE2 4.42Å; I174-I231 HydrophobicContact CD1-CG2 4.38Å | ||
| 175 | Y | 83.4 | Confident | 85.4 | Confident | 53 Ų | 53 | 24.8 Ų | 24.8 | 21% | 0.208 | 12% | 0.118 | C | C | . | . | trans | -138.9 | 131.1 | 174.2 | 175.4 | -108 | 0 | 0 | 0 | 108.9 | I132 T135 P177 | I132-Y175 HydrophobicContact CB-CE2 4.46Å; I132-Y175 HydrophobicContact CD1-CD2 4.3Å; I132-Y175 HydrophobicContact CD1-CE2 4.31Å; I132-Y175 HydrophobicContact CG1-CD2 4.05Å; I132-Y175 HydrophobicContact CG1-CE1 4.34Å; I132-Y175 HydrophobicContact CG1-CE2 3.66Å; I132-Y175 HydrophobicContact CG2-CE2 4.41Å; T135-Y175 WeakPolarHBondContact CB-OH 3.35Å; T135-Y175 PolarHBondContact OG1-OH 3.36Å; Y175-P177 HydrophobicContact CE1-CG 4.16Å | ||
| 176 | D | 80 | Confident | 85.1 | Confident | 56 Ų | 56 | 24.8 Ų | 24.8 | 30% | 0.299 | 12% | 0.118 | S | C | . | . | trans | -134.1 | 125.7 | 170.5 | -168.6 | -40.6 | 0 | 0 | 0 | 107.1 | F178 Y179 | D176-F178 PolarHBondContact O-N 2.93Å; D176-F178 WeakPolarHBondContact OD1-CB 3.4Å; D176-F178 WeakPolarHBondContact OD1-CD2 3.43Å; D176-F178 WeakPolarHBondContact OD1-CG 3.4Å; D176-F178 PolarHBondContact OD1-N 3.46Å; D176-Y179 HydrophobicContact CB-CD1 4.2Å; D176-Y179 HydrophobicContact CB-CD2 3.83Å; D176-Y179 HydrophobicContact CB-CE1 3.91Å; D176-Y179 HydrophobicContact CB-CE2 3.5Å; D176-Y179 HydrophobicContact CB-CG 4.16Å; D176-Y179 WeakPolarHBondContact O-CB 3.35Å; D176-Y179 VanDerWaalsContact O-CD2 3.25Å; D176-Y179 WeakPolarHBondContact O-CD2 3.39Å; D176-Y179 PolarHBondContact O-N 3.1Å | ||
| 177 | P | 77.3 | Confident | 84.7 | Confident | 51 Ų | 51 | 24.8 Ų | 24.8 | 33% | 0.331 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.5 | -35 | 170.3 | -34.7 | 40.2 | 0 | 0 | 0 | 114.5 | T135 I139 Y175 Y179 I180 | T135-P177 HydrophobicContact CG2-CB 3.58Å; T135-P177 HydrophobicContact CG2-CG 4.05Å; I139-P177 HydrophobicContact CD1-CB 4.45Å; Y175-P177 HydrophobicContact CE1-CG 4.16Å; P177-Y179 PolarHBondContact O-N 2.91Å; P177-I180 PolarHBondContact O-N 3.38Å |
| 178 | F | 76.3 | Confident | 83.9 | Confident | 70 Ų | 70 | 25.7 Ų | 25.7 | 31% | 0.307 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -15.1 | -176.6 | -61.9 | -59.6 | 0 | 0 | 0 | 113.8 | D176 I180 Y181 E284 | D176-F178 PolarHBondContact O-N 2.93Å; D176-F178 WeakPolarHBondContact OD1-CB 3.4Å; D176-F178 WeakPolarHBondContact OD1-CD2 3.43Å; D176-F178 WeakPolarHBondContact OD1-CG 3.4Å; D176-F178 PolarHBondContact OD1-N 3.46Å; F178-I180 PolarHBondContact O-N 2.71Å; F178-I180 VanDerWaalsContact O-N 3.17Å; F178-Y181 HydrophobicContact CD1-CD2 4.14Å; F178-Y181 HydrophobicContact CD1-CE2 4.04Å; F178-Y181 PolarHBondContact O-N 2.72Å; F178-Y181 VanDerWaalsContact O-N 3.1Å; F178-E284 HydrophobicContact CD1-CG 4.39Å; F178-E284 HydrophobicContact CE1-CG 4.36Å; F178-E284 WeakPolarHBondContact CE1-OE1 3.46Å |
| 179 | Y | 84.8 | Confident | 82.8 | Confident | 27 Ų | 27 | 25.6 Ų | 25.6 | 11% | 0.106 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.1 | -20.5 | 175.2 | -61.7 | -31.6 | 0 | 0 | 0 | 113.2 | F168 I174 D176 P177 Y181 W182 L183 I231 | F168-Y179 HydrophobicContact CD1-CD2 4.32Å; F168-Y179 AromaticContact CE1-CD2 3.64Å; F168-Y179 HydrophobicContact CE1-CD2 3.64Å; F168-Y179 AromaticContact CE1-CE2 3.54Å; F168-Y179 HydrophobicContact CE1-CE2 3.54Å; F168-Y179 HydrophobicContact CZ-CD2 4.34Å; F168-Y179 HydrophobicContact CZ-CE2 4.03Å; I174-Y179 HydrophobicContact CG1-CE2 4.42Å; D176-Y179 HydrophobicContact CB-CD1 4.2Å; D176-Y179 HydrophobicContact CB-CD2 3.83Å; D176-Y179 HydrophobicContact CB-CE1 3.91Å; D176-Y179 HydrophobicContact CB-CE2 3.5Å; D176-Y179 HydrophobicContact CB-CG 4.16Å; D176-Y179 WeakPolarHBondContact O-CB 3.35Å; D176-Y179 VanDerWaalsContact O-CD2 3.25Å; D176-Y179 WeakPolarHBondContact O-CD2 3.39Å; D176-Y179 PolarHBondContact O-N 3.1Å; P177-Y179 PolarHBondContact O-N 2.91Å; Y179-Y181 VanDerWaalsContact C-N 3.31Å; Y179-Y181 PolarHBondContact O-N 2.76Å; Y179-W182 HydrophobicContact CD1-CE3 4.26Å; Y179-W182 HydrophobicContact CD1-CZ3 4.37Å; Y179-W182 HydrophobicContact CE1-CH2 4.43Å; Y179-W182 HydrophobicContact CE1-CZ3 4.28Å; Y179-W182 PolarHBondContact O-N 2.88Å; Y179-L183 WeakPolarHBondContact O-CB 3.26Å; Y179-L183 PolarHBondContact O-N 2.95Å; Y179-I231 HydrophobicContact CD1-CD1 3.65Å; Y179-I231 HydrophobicContact CD1-CG1 4.16Å; Y179-I231 HydrophobicContact CD2-CD1 4.22Å; Y179-I231 HydrophobicContact CE1-CD1 3.63Å; Y179-I231 HydrophobicContact CE1-CG1 3.97Å; Y179-I231 HydrophobicContact CE2-CD1 4.21Å; Y179-I231 HydrophobicContact CG-CD1 3.96Å |
| 180 | I | 83.6 | Confident | 81.9 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.9 | -41.7 | 173.3 | -68.2 | 157.7 | 0 | 0 | 0 | 111 | T135 V136 I139 F157 L165 P177 F178 W182 L183 L184 | T135-I180 HydrophobicContact CG2-CD1 3.87Å; V136-I180 HydrophobicContact CB-CD1 4.27Å; V136-I180 HydrophobicContact CG2-CD1 3.6Å; V136-I180 HydrophobicContact CG2-CG1 4Å; I139-I180 HydrophobicContact CB-CD1 4.44Å; I139-I180 HydrophobicContact CB-CG2 4.37Å; I139-I180 HydrophobicContact CD1-CB 4.42Å; I139-I180 HydrophobicContact CD1-CD1 3.78Å; I139-I180 HydrophobicContact CG2-CB 4.37Å; I139-I180 HydrophobicContact CG2-CG2 3.72Å; F157-I180 HydrophobicContact CE1-CG2 4.34Å; F157-I180 HydrophobicContact CZ-CG2 4.16Å; L165-I180 HydrophobicContact CD1-CD1 4.13Å; L165-I180 HydrophobicContact CD1-CG1 3.46Å; L165-I180 VanDerWaalsContact CD1-CG1 3.46Å; P177-I180 PolarHBondContact O-N 3.38Å; F178-I180 PolarHBondContact O-N 2.71Å; F178-I180 VanDerWaalsContact O-N 3.17Å; I180-W182 VanDerWaalsContact C-N 3.27Å; I180-W182 PolarHBondContact O-N 2.79Å; I180-L183 PolarHBondContact O-N 3.35Å; I180-L184 PolarHBondContact O-N 2.56Å; I180-L184 VanDerWaalsContact O-N 3.15Å |
| 181 | Y | 80 | Confident | 80.9 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.4 | -30.5 | 177.9 | -64.1 | -76.6 | 0 | 0 | 0 | 111.9 | I139 E142 L143 F178 Y179 P185 E284 V287 | I139-Y181 HydrophobicContact CD1-CE2 3.97Å; I139-Y181 HydrophobicContact CG2-CE1 3.94Å; I139-Y181 HydrophobicContact CG2-CE2 4.1Å; E142-Y181 PolarHBondContact OE2-OH 3.07Å; E142-Y181 VanDerWaalsContact OE2-OH 3.04Å; L143-Y181 HydrophobicContact CD1-CD1 4.49Å; L143-Y181 HydrophobicContact CD1-CE1 4.4Å; L143-Y181 HydrophobicContact CD2-CD1 4.2Å; L143-Y181 HydrophobicContact CD2-CE1 3.94Å; L143-Y181 HydrophobicContact CG-CE1 4.31Å; F178-Y181 HydrophobicContact CD1-CD2 4.14Å; F178-Y181 HydrophobicContact CD1-CE2 4.04Å; F178-Y181 PolarHBondContact O-N 2.72Å; F178-Y181 VanDerWaalsContact O-N 3.1Å; Y179-Y181 VanDerWaalsContact C-N 3.31Å; Y179-Y181 PolarHBondContact O-N 2.76Å; Y181-P185 WeakPolarHBondContact O-CD 3.48Å; Y181-E284 HydrophobicContact CD2-CG 4.08Å; Y181-E284 HydrophobicContact CE1-CG 4.26Å; Y181-E284 HydrophobicContact CE2-CG 3.62Å; Y181-V287 HydrophobicContact CD1-CB 4.11Å; Y181-V287 HydrophobicContact CD1-CG1 3.85Å; Y181-V287 HydrophobicContact CG-CG1 4.42Å; Y181-V287 WeakPolarHBondContact O-CG1 3.32Å; Y181-V287 WeakPolarHBondContact O-CG2 3.45Å |
| 182 | W | 82.7 | Confident | 79.5 | Confident | 16 Ų | 16 | 28.8 Ų | 28.8 | 6% | 0.061 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -81.4 | -27.7 | 177.6 | -61.9 | 8.8 | 0 | 0 | 0 | 112.3 | Y179 I180 L227 F230 I231 Y241 F283 W299 | Y179-W182 HydrophobicContact CD1-CE3 4.26Å; Y179-W182 HydrophobicContact CD1-CZ3 4.37Å; Y179-W182 HydrophobicContact CE1-CH2 4.43Å; Y179-W182 HydrophobicContact CE1-CZ3 4.28Å; Y179-W182 PolarHBondContact O-N 2.88Å; I180-W182 VanDerWaalsContact C-N 3.27Å; I180-W182 PolarHBondContact O-N 2.79Å; W182-L227 HydrophobicContact CB-CD1 4.04Å; W182-F230 HydrophobicContact CB-CE1 4.48Å; W182-F230 HydrophobicContact CD2-CD1 4.2Å; W182-F230 AromaticContact CD2-CE1 3.77Å; W182-F230 HydrophobicContact CD2-CE1 3.77Å; W182-F230 AromaticContact CE3-CD1 3.49Å; W182-F230 HydrophobicContact CE3-CD1 3.49Å; W182-F230 VanDerWaalsContact CE3-CD1 3.49Å; W182-F230 AromaticContact CE3-CE1 3.44Å; W182-F230 HydrophobicContact CE3-CE1 3.44Å; W182-F230 VanDerWaalsContact CE3-CE1 3.44Å; W182-F230 HydrophobicContact CG-CE1 4.22Å; W182-F230 HydrophobicContact CZ3-CD1 4.05Å; W182-F230 AromaticContact CZ3-CE1 3.99Å; W182-F230 HydrophobicContact CZ3-CE1 3.99Å; W182-I231 HydrophobicContact CE3-CG1 3.67Å; W182-I231 HydrophobicContact CZ3-CB 4.3Å; W182-I231 HydrophobicContact CZ3-CG1 3.49Å; W182-I231 VanDerWaalsContact CZ3-CG1 3.49Å; W182-Y241 HydrophobicContact CH2-CE1 4.22Å; W182-Y241 HydrophobicContact CH2-CE2 4.22Å; W182-Y241 AromaticContact CH2-CZ 3.52Å; W182-Y241 WeakPolarHBondContact CH2-OH 3.36Å; W182-Y241 HydrophobicContact CZ2-CE1 4.19Å; W182-Y241 AromaticContact CZ2-CZ 3.93Å; W182-Y241 WeakPolarHBondContact CZ2-OH 3.48Å; W182-F283 AromaticContact NE1-CG 3.86Å; W182-W299 HydrophobicContact CB-CH2 4.38Å; W182-W299 WeakPolarHBondContact O-CH2 3.33Å |
| 183 | L | 87.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.9 | -32.4 | 176 | -175.6 | 60.1 | 0 | 0 | 0 | 112.2 | F157 I164 L165 Y179 I180 I186 H187 F223 L227 | F157-L183 HydrophobicContact CE2-CB 4.34Å; F157-L183 HydrophobicContact CE2-CD2 4.33Å; F157-L183 HydrophobicContact CE2-CG 4.02Å; I164-L183 HydrophobicContact CB-CD2 3.98Å; I164-L183 HydrophobicContact CD1-CD1 4.28Å; I164-L183 HydrophobicContact CD1-CD2 4.07Å; I164-L183 HydrophobicContact CG2-CD1 3.75Å; I164-L183 HydrophobicContact CG2-CD2 3.77Å; I164-L183 HydrophobicContact CG2-CG 4.44Å; L165-L183 HydrophobicContact CG-CD2 4.39Å; Y179-L183 WeakPolarHBondContact O-CB 3.26Å; Y179-L183 PolarHBondContact O-N 2.95Å; I180-L183 PolarHBondContact O-N 3.35Å; L183-I186 PolarHBondContact O-N 2.84Å; L183-H187 WeakPolarHBondContact O-CB 3.45Å; L183-H187 PolarHBondContact O-N 2.86Å; L183-F223 HydrophobicContact CD1-CB 4.32Å; L183-L227 HydrophobicContact CD1-CD2 4.45Å |
| 184 | L | 83.5 | Confident | 75.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.2 | -51.4 | -176.3 | -178.9 | 78.1 | 0 | 0 | 0 | 113.2 | L143 F147 F154 F157 I180 I186 H187 F188 V287 | L143-L184 HydrophobicContact CD1-CD2 4.29Å; L143-L184 HydrophobicContact CD2-CD2 4.36Å; F147-L184 HydrophobicContact CE2-CD2 3.89Å; F147-L184 HydrophobicContact CZ-CD2 4.23Å; F154-L184 HydrophobicContact CD2-CD1 4.39Å; F154-L184 HydrophobicContact CE2-CD1 4.14Å; F157-L184 HydrophobicContact CD1-CD1 3.72Å; F157-L184 HydrophobicContact CD2-CD1 4.02Å; F157-L184 HydrophobicContact CE1-CB 4.39Å; F157-L184 HydrophobicContact CE1-CD1 3.6Å; F157-L184 VanDerWaalsContact CE2-CA 3.47Å; F157-L184 HydrophobicContact CE2-CB 3.96Å; F157-L184 HydrophobicContact CE2-CD1 3.89Å; F157-L184 HydrophobicContact CG-CD1 3.93Å; F157-L184 HydrophobicContact CZ-CB 3.72Å; F157-L184 HydrophobicContact CZ-CD1 3.68Å; F157-L184 HydrophobicContact CZ-CG 4.35Å; I180-L184 PolarHBondContact O-N 2.56Å; I180-L184 VanDerWaalsContact O-N 3.15Å; L184-I186 PolarHBondContact O-N 3.42Å; L184-H187 PolarHBondContact O-N 3.14Å; L184-F188 HydrophobicContact CD1-CD1 4.35Å; L184-F188 HydrophobicContact CD1-CE1 3.78Å; L184-F188 HydrophobicContact CD1-CE2 4.08Å; L184-F188 HydrophobicContact CD1-CZ 3.64Å; L184-F188 HydrophobicContact CG-CD2 4.47Å; L184-F188 HydrophobicContact CG-CE2 4.21Å; L184-F188 HydrophobicContact CG-CZ 4.28Å; L184-F188 PolarHBondContact O-N 2.81Å; L184-V287 HydrophobicContact CB-CG1 4.47Å; L184-V287 HydrophobicContact CD2-CG1 3.75Å |
| 185 | P | 80.7 | Confident | 73.1 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63 | -39.8 | 176.8 | -26.6 | 38.3 | 0 | 0 | 0 | 113.5 | W70 Y181 H187 F188 A189 V287 L295 W299 | W70-P185 HydrophobicContact CH2-CB 4.44Å; Y181-P185 WeakPolarHBondContact O-CD 3.48Å; P185-H187 VanDerWaalsContact C-N 3.32Å; P185-H187 PolarHBondContact O-N 2.97Å; P185-F188 PolarHBondContact O-N 3.22Å; P185-A189 VanDerWaalsContact O-CB 3.31Å; P185-A189 WeakPolarHBondContact O-CB 3.04Å; P185-A189 PolarHBondContact O-N 3.2Å; P185-V287 HydrophobicContact CG-CG2 4.46Å; P185-L295 HydrophobicContact CG-CD1 4.38Å; P185-L295 HydrophobicContact CG-CD2 4.06Å; P185-L295 HydrophobicContact CG-CG 4.21Å; P185-W299 HydrophobicContact CB-CD2 3.43Å; P185-W299 VanDerWaalsContact CB-CD2 3.43Å; P185-W299 HydrophobicContact CB-CE3 3.77Å; P185-W299 HydrophobicContact CB-CG 3.81Å; P185-W299 HydrophobicContact CB-CH2 4.28Å; P185-W299 HydrophobicContact CB-CZ2 3.95Å; P185-W299 HydrophobicContact CB-CZ3 4.2Å; P185-W299 HydrophobicContact CG-CD2 3.9Å; P185-W299 HydrophobicContact CG-CG 4.29Å; P185-W299 HydrophobicContact CG-CH2 4.36Å; P185-W299 HydrophobicContact CG-CZ2 3.66Å |
| 186 | I | 84.8 | Confident | 71 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.5 | -45.5 | 176.6 | -63.2 | 174.5 | 0 | 0 | 0 | 109.8 | L183 L184 L190 F223 Y226 L227 W299 | L183-I186 PolarHBondContact O-N 2.84Å; L184-I186 PolarHBondContact O-N 3.42Å; I186-L190 HydrophobicContact CG2-CD1 3.93Å; I186-L190 WeakPolarHBondContact O-CB 3.31Å; I186-L190 WeakPolarHBondContact O-CG 3.06Å; I186-L190 PolarHBondContact O-N 2.99Å; I186-L190 VanDerWaalsContact O-N 3.1Å; I186-F223 HydrophobicContact CG2-CD1 4.22Å; I186-Y226 HydrophobicContact CG2-CD2 4.39Å; I186-L227 HydrophobicContact CD1-CB 4.45Å; I186-L227 HydrophobicContact CD1-CD1 4.48Å; I186-W299 HydrophobicContact CD1-CZ3 4.37Å; I186-W299 HydrophobicContact CG1-CH2 4.35Å; I186-W299 HydrophobicContact CG1-CZ3 3.85Å |
| 187 | H | 83.5 | Confident | 68.7 | Low | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.8 | -47.5 | 177.6 | -175.1 | 83 | 0 | 0 | 0 | 111.5 | F157 Q160 L183 L184 P185 A189 L190 N191 F223 | F157-H187 HydrophobicContact CD2-CB 3.69Å; F157-H187 AromaticContact CD2-CD2 3.73Å; F157-H187 AromaticContact CD2-CG 3.63Å; F157-H187 HydrophobicContact CE2-CB 4.12Å; Q160-H187 PolarHBondContact OE1-CE1 2.85Å; L183-H187 WeakPolarHBondContact O-CB 3.45Å; L183-H187 PolarHBondContact O-N 2.86Å; L184-H187 PolarHBondContact O-N 3.14Å; P185-H187 VanDerWaalsContact C-N 3.32Å; P185-H187 PolarHBondContact O-N 2.97Å; H187-A189 VanDerWaalsContact C-N 3.34Å; H187-A189 PolarHBondContact O-N 3.37Å; H187-L190 PolarHBondContact O-N 3.46Å; H187-N191 PolarHBondContact CE1-ND2 2.97Å; H187-N191 PolarHBondContact NE2-ND2 3.42Å; H187-N191 VanDerWaalsContact NE2-ND2 3.16Å; H187-N191 WeakPolarHBondContact O-CB 3.42Å; H187-N191 PolarHBondContact O-N 2.79Å; H187-N191 VanDerWaalsContact O-N 3.11Å; H187-F223 AromaticContact ND1-CE2 3.69Å |
| 188 | F | 74.1 | Confident | 66.4 | Low | 19 Ų | 19 | 36.9 Ų | 36.9 | 8% | 0.083 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.4 | -37.2 | 179.2 | -77.3 | 2.1 | 0 | 0 | 0 | 113.2 | Q150 Q153 L184 P185 L296 | Q150-F188 VanDerWaalsContact OE1-CE2 3.24Å; Q153-F188 HydrophobicContact CB-CE1 4.35Å; L184-F188 HydrophobicContact CD1-CD1 4.35Å; L184-F188 HydrophobicContact CD1-CE1 3.78Å; L184-F188 HydrophobicContact CD1-CE2 4.08Å; L184-F188 HydrophobicContact CD1-CZ 3.64Å; L184-F188 HydrophobicContact CG-CD2 4.47Å; L184-F188 HydrophobicContact CG-CE2 4.21Å; L184-F188 HydrophobicContact CG-CZ 4.28Å; L184-F188 PolarHBondContact O-N 2.81Å; P185-F188 PolarHBondContact O-N 3.22Å; F188-L296 HydrophobicContact CB-CD2 4.47Å |
| 189 | A | 70.2 | Confident | 64.4 | Low | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -76.5 | -31 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y63 W70 P185 H187 L296 | Y63-A189 WeakPolarHBondContact CE2-O 3.37Å; Y63-A189 PolarHBondContact OH-O 3.04Å; W70-A189 HydrophobicContact CD2-CB 4.18Å; W70-A189 HydrophobicContact CE3-CB 3.6Å; W70-A189 HydrophobicContact CH2-CB 3.45Å; W70-A189 VanDerWaalsContact CH2-CB 3.45Å; W70-A189 HydrophobicContact CZ2-CB 4.03Å; W70-A189 HydrophobicContact CZ3-CB 3.21Å; P185-A189 VanDerWaalsContact O-CB 3.31Å; P185-A189 WeakPolarHBondContact O-CB 3.04Å; P185-A189 PolarHBondContact O-N 3.2Å; H187-A189 VanDerWaalsContact C-N 3.34Å; H187-A189 PolarHBondContact O-N 3.37Å; A189-L296 HydrophobicContact CB-CD2 4.31Å |
| 190 | L | 71.8 | Confident | 62.1 | Low | 20 Ų | 20 | 42.9 Ų | 42.9 | 11% | 0.105 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -114.1 | -4.9 | -166.2 | -57.8 | 179.8 | 0 | 0 | 0 | 115.1 | R67 P71 I186 H187 F223 Y226 | R67-L190 HydrophobicContact CB-CD2 4.46Å; R67-L190 HydrophobicContact CG-CD2 4.1Å; P71-L190 HydrophobicContact CG-CD2 4.4Å; I186-L190 HydrophobicContact CG2-CD1 3.93Å; I186-L190 WeakPolarHBondContact O-CB 3.31Å; I186-L190 WeakPolarHBondContact O-CG 3.06Å; I186-L190 PolarHBondContact O-N 2.99Å; I186-L190 VanDerWaalsContact O-N 3.1Å; H187-L190 PolarHBondContact O-N 3.46Å; L190-F223 HydrophobicContact CB-CD1 4.49Å; L190-F223 HydrophobicContact CB-CE1 3.6Å; L190-F223 HydrophobicContact CB-CZ 4.31Å; L190-F223 HydrophobicContact CD1-CE1 4.44Å; L190-Y226 HydrophobicContact CD1-CD2 3.52Å; L190-Y226 HydrophobicContact CD1-CE2 3.61Å; L190-Y226 HydrophobicContact CD1-CG 4.36Å |
| 191 | N | 68.5 | Low | 59.7 | Low | 14 Ų | 14 | 49.6 Ų | 49.6 | 8% | 0.075 | 23% | 0.227 | C | C | . | . | trans | -67.5 | 135.8 | -177.1 | -171.5 | -5.7 | 0 | 0 | 0 | 114 | Y63 R67 H187 E193 | Y63-N191 PolarHBondContact OH-O 3.07Å; R67-N191 PolarHBondContact NH2-O 2.97Å; H187-N191 PolarHBondContact CE1-ND2 2.97Å; H187-N191 PolarHBondContact NE2-ND2 3.42Å; H187-N191 VanDerWaalsContact NE2-ND2 3.16Å; H187-N191 WeakPolarHBondContact O-CB 3.42Å; H187-N191 PolarHBondContact O-N 2.79Å; H187-N191 VanDerWaalsContact O-N 3.11Å; N191-E193 PolarHBondContact O-N 3.44Å | ||
| 192 | K | 59.1 | Low | 57.5 | Low | 68 Ų | 68 | 54.9 Ų | 54.9 | 30% | 0.296 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.4 | -166.7 | -76.9 | -165.4 | -170.2 | -179.2 | 0 | 116.7 | R67 H194 I195 D215 | R67-K192 VanDerWaalsContact NH2-CA 3.26Å; R67-K192 PolarHBondContact NH2-O 2.69Å; K192-H194 VanDerWaalsContact C-N 3.34Å; K192-H194 PolarHBondContact O-N 3.24Å; K192-I195 HydrophobicContact CB-CD1 4.37Å; K192-I195 HydrophobicContact CD-CD1 4.42Å; K192-I195 HydrophobicContact CG-CD1 4.21Å; K192-I195 VanDerWaalsContact O-CB 3.29Å; K192-I195 WeakPolarHBondContact O-CB 3.47Å; K192-I195 WeakPolarHBondContact O-CG1 3.38Å; K192-I195 PolarHBondContact O-N 2.73Å; K192-D215 IonicContact NZ-OD1 3.95Å; K192-D215 PolarHBondContact NZ-OD1 2.97Å; K192-D215 IonicContact NZ-OD2 3.84Å; K192-D215 PolarHBondContact NZ-OD2 3.37Å |
| 193 | E | 48.2 | Very low | 55.2 | Low | 59 Ų | 59 | 59.1 Ų | 59.1 | 28% | 0.276 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -32.3 | -161.9 | -81.4 | -176.3 | -169.4 | 0 | 0 | 117.3 | R156 N191 I195 Y196 | R156-E193 IonicContact CZ-OE1 3.63Å; R156-E193 IonicContact NH1-OE1 3.21Å; R156-E193 PolarHBondContact NH1-OE1 2.7Å; N191-E193 PolarHBondContact O-N 3.44Å; E193-I195 PolarHBondContact O-N 3.46Å; E193-I195 VanDerWaalsContact O-N 3.16Å; E193-Y196 PolarHBondContact O-N 2.93Å |
| 194 | H | 39.5 | Very low | 52.9 | Low | 84 Ų | 84 | 64.3 Ų | 64.3 | 39% | 0.389 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.7 | -10.3 | 174.2 | -80.3 | -45 | 0 | 0 | 0 | 114.7 | Y63 K192 Y196 E197 L198 | Y63-H194 HydrophobicContact CD1-CB 4.43Å; Y63-H194 HydrophobicContact CE1-CB 4.08Å; K192-H194 VanDerWaalsContact C-N 3.34Å; K192-H194 PolarHBondContact O-N 3.24Å; H194-Y196 VanDerWaalsContact C-N 3.32Å; H194-E197 IonicContact CE1-OE2 3.23Å; H194-E197 IonicContact ND1-OE2 3.52Å; H194-E197 PolarHBondContact ND1-OE2 3.4Å; H194-L198 WeakPolarHBondContact O-CB 3.28Å; H194-L198 PolarHBondContact O-N 3.15Å |
| 195 | I | 36.6 | Very low | 50.6 | Low | 53 Ų | 53 | 68 Ų | 68 | 27% | 0.272 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 168 | -70.8 | 173.2 | 0 | 0 | 0 | 110.2 | K192 E193 E197 L198 I199 | K192-I195 HydrophobicContact CB-CD1 4.37Å; K192-I195 HydrophobicContact CD-CD1 4.42Å; K192-I195 HydrophobicContact CG-CD1 4.21Å; K192-I195 VanDerWaalsContact O-CB 3.29Å; K192-I195 WeakPolarHBondContact O-CB 3.47Å; K192-I195 WeakPolarHBondContact O-CG1 3.38Å; K192-I195 PolarHBondContact O-N 2.73Å; E193-I195 PolarHBondContact O-N 3.46Å; E193-I195 VanDerWaalsContact O-N 3.16Å; I195-E197 VanDerWaalsContact C-N 3.27Å; I195-E197 PolarHBondContact O-N 3.17Å; I195-L198 CarbonylContact O-C 3.53Å; I195-L198 PolarHBondContact O-N 3.17Å; I195-I199 HydrophobicContact CG2-CD1 3.24Å; I195-I199 HydrophobicContact CG2-CG1 3.55Å; I195-I199 VanDerWaalsContact O-CB 3.3Å; I195-I199 WeakPolarHBondContact O-CB 3.28Å; I195-I199 VanDerWaalsContact O-CG1 3.25Å; I195-I199 WeakPolarHBondContact O-CG1 3.39Å; I195-I199 PolarHBondContact O-N 3.34Å |
| 196 | Y | 38.2 | Very low | 48.2 | Very low | 144 Ų | 144 | 72.4 Ų | 72.4 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.1 | -35.5 | -179.7 | -83.5 | -76.9 | 0 | 0 | 0 | 111.7 | E193 H194 K200 | E193-Y196 PolarHBondContact O-N 2.93Å; H194-Y196 VanDerWaalsContact C-N 3.32Å; Y196-K200 WeakPolarHBondContact O-CB 3.42Å; Y196-K200 PolarHBondContact O-N 2.82Å |
| 197 | E | 32.8 | Very low | 45.9 | Very low | 114 Ų | 114 | 78.2 Ų | 78.2 | 53% | 0.533 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.4 | -45.6 | 170.7 | -80.2 | -175.9 | 149.6 | 0 | 0 | 111.8 | H194 I195 K200 H201 | H194-E197 IonicContact CE1-OE2 3.23Å; H194-E197 IonicContact ND1-OE2 3.52Å; H194-E197 PolarHBondContact ND1-OE2 3.4Å; I195-E197 VanDerWaalsContact C-N 3.27Å; I195-E197 PolarHBondContact O-N 3.17Å; E197-K200 WeakPolarHBondContact O-CA 3.11Å; E197-K200 VanDerWaalsContact O-CB 3.27Å; E197-K200 WeakPolarHBondContact O-CB 3.34Å; E197-K200 PolarHBondContact O-N 2.97Å; E197-K200 VanDerWaalsContact O-N 3.15Å; E197-H201 PolarHBondContact O-CD2 3.45Å; E197-H201 PolarHBondContact O-N 2.65Å; E197-H201 VanDerWaalsContact O-N 3.12Å |
| 198 | L | 29.3 | Very low | 43.8 | Very low | 81 Ų | 81 | 87.3 Ų | 87.3 | 42% | 0.424 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 177.2 | -91.3 | 154.8 | 0 | 0 | 0 | 113.1 | H194 I195 K200 H201 F202 | H194-L198 WeakPolarHBondContact O-CB 3.28Å; H194-L198 PolarHBondContact O-N 3.15Å; I195-L198 CarbonylContact O-C 3.53Å; I195-L198 PolarHBondContact O-N 3.17Å; L198-K200 VanDerWaalsContact C-N 3.27Å; L198-K200 PolarHBondContact O-N 3.4Å; L198-H201 CarbonylContact O-C 3.58Å; L198-H201 WeakPolarHBondContact O-CA 3.33Å; L198-H201 WeakPolarHBondContact O-CB 3.39Å; L198-H201 PolarHBondContact O-N 2.86Å; L198-F202 HydrophobicContact CD2-CD2 4Å; L198-F202 HydrophobicContact CD2-CE2 3.69Å; L198-F202 VanDerWaalsContact O-CD2 3.25Å; L198-F202 WeakPolarHBondContact O-CD2 3.49Å; L198-F202 PolarHBondContact O-N 2.92Å |
| 199 | I | 34.4 | Very low | 42 | Very low | 39 Ų | 39 | 91.2 Ų | 91.2 | 20% | 0.2 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 174.2 | -69.6 | 178.8 | 0 | 0 | 0 | 109.7 | I195 H201 F202 I205 | I195-I199 HydrophobicContact CG2-CD1 3.24Å; I195-I199 HydrophobicContact CG2-CG1 3.55Å; I195-I199 VanDerWaalsContact O-CB 3.3Å; I195-I199 WeakPolarHBondContact O-CB 3.28Å; I195-I199 VanDerWaalsContact O-CG1 3.25Å; I195-I199 WeakPolarHBondContact O-CG1 3.39Å; I195-I199 PolarHBondContact O-N 3.34Å; I199-H201 PolarHBondContact O-N 3.15Å; I199-F202 CarbonylContact O-C 3.54Å; I199-F202 PolarHBondContact O-N 3.07Å; I199-F202 VanDerWaalsContact O-N 3.12Å; I199-F202 VanDerWaalsContact O-O 3.12Å; I199-I205 HydrophobicContact CD1-CG2 4.03Å; I199-I205 HydrophobicContact CG1-CB 4.11Å; I199-I205 HydrophobicContact CG1-CD1 4.02Å; I199-I205 HydrophobicContact CG1-CG2 4.02Å |
| 200 | K | 35.8 | Very low | 40.2 | Very low | 184 Ų | 184 | 95.1 Ų | 95.1 | 80% | 0.8 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.6 | -27.6 | 171.9 | -138.4 | -179.5 | -177 | -173.3 | 0 | 112.4 | Y196 E197 L198 | Y196-K200 WeakPolarHBondContact O-CB 3.42Å; Y196-K200 PolarHBondContact O-N 2.82Å; E197-K200 WeakPolarHBondContact O-CA 3.11Å; E197-K200 VanDerWaalsContact O-CB 3.27Å; E197-K200 WeakPolarHBondContact O-CB 3.34Å; E197-K200 PolarHBondContact O-N 2.97Å; E197-K200 VanDerWaalsContact O-N 3.15Å; L198-K200 VanDerWaalsContact C-N 3.27Å; L198-K200 PolarHBondContact O-N 3.4Å |
| 201 | H | 33.1 | Very low | 38.7 | Very low | 142 Ų | 142 | 99.2 Ų | 99.2 | 66% | 0.657 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -91 | -13.2 | 175.6 | -68.1 | -61.2 | 0 | 0 | 0 | 114.2 | E197 L198 I199 | E197-H201 PolarHBondContact O-CD2 3.45Å; E197-H201 PolarHBondContact O-N 2.65Å; E197-H201 VanDerWaalsContact O-N 3.12Å; L198-H201 CarbonylContact O-C 3.58Å; L198-H201 WeakPolarHBondContact O-CA 3.33Å; L198-H201 WeakPolarHBondContact O-CB 3.39Å; L198-H201 PolarHBondContact O-N 2.86Å; I199-H201 PolarHBondContact O-N 3.15Å |
| 202 | F | 34.6 | Very low | 37.6 | Very low | 113 Ų | 113 | 104.3 Ų | 104.3 | 50% | 0.496 | 53% | 0.532 | S | S | . | . | trans | -134.5 | 80.5 | 179.3 | -65.1 | -73.1 | 0 | 0 | 0 | 109.4 | L198 I199 D204 I205 | L198-F202 HydrophobicContact CD2-CD2 4Å; L198-F202 HydrophobicContact CD2-CE2 3.69Å; L198-F202 VanDerWaalsContact O-CD2 3.25Å; L198-F202 WeakPolarHBondContact O-CD2 3.49Å; L198-F202 PolarHBondContact O-N 2.92Å; I199-F202 CarbonylContact O-C 3.54Å; I199-F202 PolarHBondContact O-N 3.07Å; I199-F202 VanDerWaalsContact O-N 3.12Å; I199-F202 VanDerWaalsContact O-O 3.12Å; F202-D204 PolarHBondContact O-N 2.87Å; F202-I205 HydrophobicContact CB-CD1 4.18Å; F202-I205 HydrophobicContact CB-CG1 4.35Å; F202-I205 PolarHBondContact O-N 2.79Å | ||
| 203 | P | 33 | Very low | 36.8 | Very low | 106 Ų | 106 | 105.5 Ų | 105.5 | 69% | 0.688 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -11.4 | -177.2 | 22.7 | -31.1 | 0 | 0 | 0 | 114.2 | I205 | P203-I205 VanDerWaalsContact C-N 3.25Å; P203-I205 PolarHBondContact O-N 3.26Å |
| 204 | D | 40.5 | Very low | 36.5 | Very low | 108 Ų | 108 | 105.4 Ų | 105.4 | 58% | 0.578 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -6.8 | 177.5 | -57.8 | -29.5 | 0 | 0 | 0 | 113.8 | F202 P206 P640 | F202-D204 PolarHBondContact O-N 2.87Å; D204-P206 WeakPolarHBondContact O-CD 3.16Å; D204-P640 WeakPolarHBondContact OD1-CG 3.37Å |
| 205 | I | 33.5 | Very low | 37.6 | Very low | 77 Ų | 77 | 103 Ų | 103 | 40% | 0.395 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -78.5 | 116 | 172 | -59.7 | 175.6 | 0 | 0 | 0 | 108.1 | I199 F202 P203 T207 | I199-I205 HydrophobicContact CD1-CG2 4.03Å; I199-I205 HydrophobicContact CG1-CB 4.11Å; I199-I205 HydrophobicContact CG1-CD1 4.02Å; I199-I205 HydrophobicContact CG1-CG2 4.02Å; F202-I205 HydrophobicContact CB-CD1 4.18Å; F202-I205 HydrophobicContact CB-CG1 4.35Å; F202-I205 PolarHBondContact O-N 2.79Å; P203-I205 VanDerWaalsContact C-N 3.25Å; P203-I205 PolarHBondContact O-N 3.26Å; I205-T207 PolarHBondContact O-N 3.23Å; I205-T207 VanDerWaalsContact O-N 3.07Å |
| 206 | P | 31.2 | Very low | 39.1 | Very low | 95 Ų | 95 | 103.1 Ų | 103.1 | 62% | 0.617 | 55% | 0.547 | S | S | * | . | trans | -55.2 | 117.4 | -173.6 | -23.1 | 31.8 | 0 | 0 | 0 | 111.9 | D204 K208 | D204-P206 WeakPolarHBondContact O-CD 3.16Å; P206-K208 PolarHBondContact O-N 2.98Å | ||
| 207 | T | 36 | Very low | 40.7 | Very low | 122 Ų | 122 | 97.4 Ų | 97.4 | 75% | 0.748 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -7.9 | 175.5 | 42.9 | 0 | 0 | 0 | 0 | 113.6 | I205 V209 | I205-T207 PolarHBondContact O-N 3.23Å; I205-T207 VanDerWaalsContact O-N 3.07Å; T207-V209 PolarHBondContact O-N 3.48Å |
| 208 | K | 39.3 | Very low | 42.6 | Very low | 192 Ų | 192 | 96.2 Ų | 96.2 | 84% | 0.835 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 1 | 178.2 | -83.7 | -173.7 | 176.9 | 177.7 | 0 | 115.2 | P206 S210 | P206-K208 PolarHBondContact O-N 2.98Å; K208-S210 PolarHBondContact O-N 2.96Å |
| 209 | V | 36.4 | Very low | 44.9 | Very low | 100 Ų | 100 | 93 Ų | 93 | 61% | 0.606 | 51% | 0.512 | S | S | * | . | trans | -77 | 56.6 | 162.2 | -164.2 | 0 | 0 | 0 | 0 | 109.5 | T207 | T207-V209 PolarHBondContact O-N 3.48Š| ||
| 210 | S | 31.8 | Very low | 47.4 | Very low | 83 Ų | 83 | 91.5 Ų | 91.5 | 58% | 0.58 | 50% | 0.504 | S | S | * | . | trans | -77.1 | 119.7 | 161.5 | 58.7 | 0 | 0 | 0 | 0 | 107.6 | K208 | K208-S210 PolarHBondContact O-N 2.96Š| ||
| 211 | N | 40.4 | Very low | 49.8 | Very low | 105 Ų | 105 | 86.9 Ų | 86.9 | 56% | 0.561 | 48% | 0.482 | S | S | * | . | trans | 161 | 89.4 | 138.9 | -78.7 | -16.5 | 0 | 0 | 0 | 109.2 | S213 A214 D215 | N211-S213 PolarHBondContact O-N 2.91Å; N211-A214 HydrophobicContact CB-CB 4.46Å; N211-A214 PolarHBondContact O-N 2.79Å; N211-D215 PolarHBondContact O-N 2.98Å | ||
| 212 | N | 45.7 | Very low | 52.2 | Low | 121 Ų | 121 | 80.9 Ų | 80.9 | 65% | 0.647 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -50.6 | -26.4 | -179.1 | -72.1 | -22.9 | 0 | 0 | 0 | 114.2 | E216 | N212-E216 WeakPolarHBondContact O-CB 3.22Å; N212-E216 PolarHBondContact O-N 2.98Å |
| 213 | S | 42.2 | Very low | 54.8 | Low | 94 Ų | 94 | 75.8 Ų | 75.8 | 66% | 0.657 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -77.9 | -47.6 | -179 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | N211 D215 E216 G217 | N211-S213 PolarHBondContact O-N 2.91Å; S213-D215 PolarHBondContact O-N 3.32Å; S213-E216 PolarHBondContact O-N 2.96Å; S213-G217 PolarHBondContact O-N 2.73Å; S213-G217 VanDerWaalsContact O-N 3.11Å |
| 214 | A | 42.3 | Very low | 57.6 | Low | 57 Ų | 57 | 70.7 Ų | 70.7 | 47% | 0.471 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | N211 I218 | N211-A214 HydrophobicContact CB-CB 4.46Å; N211-A214 PolarHBondContact O-N 2.79Å; A214-I218 WeakPolarHBondContact O-CD1 3.21Å; A214-I218 VanDerWaalsContact O-CG1 3.25Å; A214-I218 WeakPolarHBondContact O-CG1 3.36Å; A214-I218 PolarHBondContact O-N 3.48Å; A214-I218 VanDerWaalsContact O-N 3.12Å |
| 215 | D | 61.7 | Low | 60 | Low | 32 Ų | 32 | 65.9 Ų | 65.9 | 17% | 0.171 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.5 | -37.8 | 178.1 | -110.3 | 7.1 | 0 | 0 | 0 | 113.5 | K192 N211 S213 Q219 | K192-D215 IonicContact NZ-OD1 3.95Å; K192-D215 PolarHBondContact NZ-OD1 2.97Å; K192-D215 IonicContact NZ-OD2 3.84Å; K192-D215 PolarHBondContact NZ-OD2 3.37Å; N211-D215 PolarHBondContact O-N 2.98Å; S213-D215 PolarHBondContact O-N 3.32Å; D215-Q219 VanDerWaalsContact O-CG 3.28Å; D215-Q219 WeakPolarHBondContact O-CG 3.15Å; D215-Q219 PolarHBondContact O-N 3.37Å; D215-Q219 VanDerWaalsContact O-N 3.08Å |
| 216 | E | 69.4 | Low | 62.7 | Low | 57 Ų | 57 | 63.3 Ų | 63.3 | 27% | 0.266 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 175.2 | -165.1 | -167 | 161.3 | 0 | 0 | 111.1 | K163 N212 S213 I218 Q219 I220 | K163-E216 IonicContact NZ-OE1 3.02Å; K163-E216 PolarHBondContact NZ-OE1 2.9Å; K163-E216 IonicContact NZ-OE2 3.94Å; N212-E216 WeakPolarHBondContact O-CB 3.22Å; N212-E216 PolarHBondContact O-N 2.98Å; S213-E216 PolarHBondContact O-N 2.96Å; E216-I218 PolarHBondContact O-N 3.3Å; E216-Q219 WeakPolarHBondContact O-CB 3.42Å; E216-Q219 PolarHBondContact O-N 3.23Å; E216-I220 HydrophobicContact CG-CD1 3.98Å; E216-I220 VanDerWaalsContact O-CG1 3.3Å; E216-I220 WeakPolarHBondContact O-CG1 3.3Å; E216-I220 PolarHBondContact O-N 2.72Å |
| 217 | G | 70.6 | Confident | 65.6 | Low | 24 Ų | 24 | 58.8 Ų | 58.8 | 25% | 0.247 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57 | -50.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S213 Q219 I220 Y221 | S213-G217 PolarHBondContact O-N 2.73Å; S213-G217 VanDerWaalsContact O-N 3.11Å; G217-Q219 VanDerWaalsContact C-N 3.3Å; G217-Q219 PolarHBondContact O-N 3.15Å; G217-I220 PolarHBondContact O-N 2.82Å; G217-Y221 WeakPolarHBondContact O-CD2 3.39Å; G217-Y221 PolarHBondContact O-N 3.32Å |
| 218 | I | 72.9 | Confident | 68.3 | Low | 89 Ų | 89 | 53.1 Ų | 53.1 | 46% | 0.456 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.4 | -41.9 | 178 | -66.8 | 164.8 | 0 | 0 | 0 | 111.2 | A214 E216 S222 | A214-I218 WeakPolarHBondContact O-CD1 3.21Å; A214-I218 VanDerWaalsContact O-CG1 3.25Å; A214-I218 WeakPolarHBondContact O-CG1 3.36Å; A214-I218 PolarHBondContact O-N 3.48Å; A214-I218 VanDerWaalsContact O-N 3.12Å; E216-I218 PolarHBondContact O-N 3.3Å; I218-S222 VanDerWaalsContact O-CB 3.27Å; I218-S222 WeakPolarHBondContact O-CB 2.86Å; I218-S222 PolarHBondContact O-N 3.01Å; I218-S222 PolarHBondContact O-OG 3.06Å |
| 219 | Q | 78.7 | Confident | 70.7 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.065 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 176.4 | -74.9 | 172.5 | 20 | 0 | 0 | 112.1 | D215 E216 G217 Y221 S222 F223 | D215-Q219 VanDerWaalsContact O-CG 3.28Å; D215-Q219 WeakPolarHBondContact O-CG 3.15Å; D215-Q219 PolarHBondContact O-N 3.37Å; D215-Q219 VanDerWaalsContact O-N 3.08Å; E216-Q219 WeakPolarHBondContact O-CB 3.42Å; E216-Q219 PolarHBondContact O-N 3.23Å; G217-Q219 VanDerWaalsContact C-N 3.3Å; G217-Q219 PolarHBondContact O-N 3.15Å; Q219-Y221 PolarHBondContact O-N 3.49Å; Q219-S222 PolarHBondContact O-N 2.99Å; Q219-F223 HydrophobicContact CB-CE2 4.12Å; Q219-F223 HydrophobicContact CB-CZ 4.49Å; Q219-F223 WeakPolarHBondContact O-CB 3.41Å; Q219-F223 WeakPolarHBondContact O-CD2 3.27Å; Q219-F223 VanDerWaalsContact O-CG 3.26Å; Q219-F223 WeakPolarHBondContact O-CG 3.31Å; Q219-F223 PolarHBondContact O-N 3.3Å |
| 220 | I | 85.6 | Confident | 73.2 | Confident | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -49.8 | -179.5 | -68.9 | 162.1 | 0 | 0 | 0 | 110.6 | K163 I164 V167 E216 G217 S222 F223 A224 | K163-I220 HydrophobicContact CB-CD1 4.04Å; K163-I220 HydrophobicContact CB-CG1 4.43Å; K163-I220 HydrophobicContact CB-CG2 4.05Å; K163-I220 HydrophobicContact CD-CD1 3.52Å; K163-I220 HydrophobicContact CG-CD1 4.44Å; I164-I220 HydrophobicContact CG1-CB 4.34Å; I164-I220 HydrophobicContact CG1-CG1 4.38Å; I164-I220 HydrophobicContact CG1-CG2 3.98Å; V167-I220 HydrophobicContact CG2-CG2 4.01Å; E216-I220 HydrophobicContact CG-CD1 3.98Å; E216-I220 VanDerWaalsContact O-CG1 3.3Å; E216-I220 WeakPolarHBondContact O-CG1 3.3Å; E216-I220 PolarHBondContact O-N 2.72Å; G217-I220 PolarHBondContact O-N 2.82Å; I220-S222 VanDerWaalsContact C-N 3.33Å; I220-S222 PolarHBondContact O-N 3.28Å; I220-F223 PolarHBondContact O-N 3.28Å; I220-A224 WeakPolarHBondContact O-CB 3.42Å; I220-A224 PolarHBondContact O-N 3.23Å |
| 221 | Y | 86.5 | Confident | 75.7 | Confident | 86 Ų | 86 | 36 Ų | 36 | 34% | 0.337 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.2 | -36.9 | 178.8 | -70.5 | -68.7 | 0 | 0 | 0 | 112.2 | L111 P123 V167 G217 Q219 A224 L225 | L111-Y221 HydrophobicContact CD2-CD1 3.81Å; L111-Y221 HydrophobicContact CD2-CE1 3.53Å; P123-Y221 HydrophobicContact CB-CE1 4.48Å; P123-Y221 HydrophobicContact CG-CE1 4.43Å; V167-Y221 HydrophobicContact CG1-CD1 3.61Å; V167-Y221 HydrophobicContact CG1-CE1 3.86Å; V167-Y221 HydrophobicContact CG2-CD1 4.3Å; V167-Y221 HydrophobicContact CG2-CE1 3.94Å; G217-Y221 WeakPolarHBondContact O-CD2 3.39Å; G217-Y221 PolarHBondContact O-N 3.32Å; Q219-Y221 PolarHBondContact O-N 3.49Å; Y221-A224 PolarHBondContact O-N 3.47Å; Y221-L225 WeakPolarHBondContact O-CB 3.49Å; Y221-L225 PolarHBondContact O-N 2.8Å |
| 222 | S | 84.4 | Confident | 77.9 | Confident | 17 Ų | 17 | 33.2 Ų | 33.2 | 12% | 0.119 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.7 | -43.5 | 178 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | I218 Q219 I220 L225 Y226 | I218-S222 VanDerWaalsContact O-CB 3.27Å; I218-S222 WeakPolarHBondContact O-CB 2.86Å; I218-S222 PolarHBondContact O-N 3.01Å; I218-S222 PolarHBondContact O-OG 3.06Å; Q219-S222 PolarHBondContact O-N 2.99Å; I220-S222 VanDerWaalsContact C-N 3.33Å; I220-S222 PolarHBondContact O-N 3.28Å; S222-L225 WeakPolarHBondContact O-CB 3.4Å; S222-L225 PolarHBondContact O-N 2.96Å; S222-Y226 WeakPolarHBondContact O-CD2 3.49Å; S222-Y226 VanDerWaalsContact O-CG 3.28Å; S222-Y226 PolarHBondContact O-N 3.35Å |
| 223 | F | 89.3 | Confident | 79.6 | Confident | 5 Ų | 5 | 27.4 Ų | 27.4 | 2% | 0.022 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.4 | -37.6 | 176.4 | -64.1 | -25.9 | 0 | 0 | 0 | 112.1 | I164 L183 I186 H187 L190 Q219 I220 L225 Y226 L227 | I164-F223 HydrophobicContact CD1-CB 3.89Å; I164-F223 HydrophobicContact CD1-CD2 3.73Å; I164-F223 HydrophobicContact CD1-CG 4.3Å; I164-F223 HydrophobicContact CG1-CB 4.2Å; I164-F223 HydrophobicContact CG2-CB 4.18Å; L183-F223 HydrophobicContact CD1-CB 4.32Å; I186-F223 HydrophobicContact CG2-CD1 4.22Å; H187-F223 AromaticContact ND1-CE2 3.69Å; L190-F223 HydrophobicContact CB-CD1 4.49Å; L190-F223 HydrophobicContact CB-CE1 3.6Å; L190-F223 HydrophobicContact CB-CZ 4.31Å; L190-F223 HydrophobicContact CD1-CE1 4.44Å; Q219-F223 HydrophobicContact CB-CE2 4.12Å; Q219-F223 HydrophobicContact CB-CZ 4.49Å; Q219-F223 WeakPolarHBondContact O-CB 3.41Å; Q219-F223 WeakPolarHBondContact O-CD2 3.27Å; Q219-F223 VanDerWaalsContact O-CG 3.26Å; Q219-F223 WeakPolarHBondContact O-CG 3.31Å; Q219-F223 PolarHBondContact O-N 3.3Å; I220-F223 PolarHBondContact O-N 3.28Å; F223-L225 VanDerWaalsContact C-N 3.34Å; F223-Y226 HydrophobicContact CD1-CD2 4.16Å; F223-Y226 PolarHBondContact O-N 3.25Å; F223-L227 WeakPolarHBondContact O-CB 3.39Å; F223-L227 PolarHBondContact O-N 3.34Å |
| 224 | A | 90.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.9 | -39.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | F107 I164 V167 F168 I220 Y221 S228 | F107-A224 HydrophobicContact CE1-CB 4.32Å; F107-A224 HydrophobicContact CZ-CB 3.87Å; I164-A224 HydrophobicContact CG2-CB 4.11Å; V167-A224 HydrophobicContact CB-CB 3.95Å; V167-A224 HydrophobicContact CG1-CB 3.52Å; F168-A224 HydrophobicContact CB-CB 4.48Å; I220-A224 WeakPolarHBondContact O-CB 3.42Å; I220-A224 PolarHBondContact O-N 3.23Å; Y221-A224 PolarHBondContact O-N 3.47Å; A224-S228 VanDerWaalsContact O-CB 3.26Å; A224-S228 WeakPolarHBondContact O-CB 3.46Å; A224-S228 PolarHBondContact O-N 3.2Å |
| 225 | L | 92.2 | Very high | 82.9 | Confident | 6 Ų | 6 | 23.2 Ų | 23.2 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.1 | -49.6 | 172.7 | 169.9 | 64.8 | 0 | 0 | 0 | 111.4 | F75 A103 R104 F107 Y221 S222 F223 L227 S228 L229 | F75-L225 HydrophobicContact CE1-CD2 4.03Å; F75-L225 HydrophobicContact CE1-CG 4.44Å; F75-L225 HydrophobicContact CZ-CD2 4.32Å; A103-L225 HydrophobicContact CB-CD1 4.39Å; R104-L225 HydrophobicContact CG-CD2 3.73Å; F107-L225 HydrophobicContact CB-CD1 3.54Å; F107-L225 HydrophobicContact CD1-CB 4.12Å; F107-L225 HydrophobicContact CD1-CD1 4.39Å; F107-L225 HydrophobicContact CD2-CD1 4.11Å; F107-L225 HydrophobicContact CE1-CB 4.34Å; F107-L225 HydrophobicContact CG-CB 4.25Å; F107-L225 HydrophobicContact CG-CD1 3.77Å; Y221-L225 WeakPolarHBondContact O-CB 3.49Å; Y221-L225 PolarHBondContact O-N 2.8Å; S222-L225 WeakPolarHBondContact O-CB 3.4Å; S222-L225 PolarHBondContact O-N 2.96Å; F223-L225 VanDerWaalsContact C-N 3.34Å; L225-L227 PolarHBondContact O-N 3.36Å; L225-S228 WeakPolarHBondContact O-CB 3.15Å; L225-S228 PolarHBondContact O-N 3.22Å; L225-S228 VanDerWaalsContact O-N 3.16Å; L225-L229 HydrophobicContact CD1-CD1 3.95Å; L225-L229 HydrophobicContact CD1-CD2 4.43Å; L225-L229 HydrophobicContact CD1-CG 4Å; L225-L229 HydrophobicContact CG-CD1 4.11Å; L225-L229 WeakPolarHBondContact O-CG 3.4Å; L225-L229 PolarHBondContact O-N 3.11Å |
| 226 | Y | 90.2 | Very high | 83.6 | Confident | 24 Ų | 24 | 25.5 Ų | 25.5 | 9% | 0.094 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.6 | -42.4 | -179.9 | -63 | -42.3 | 0 | 0 | 0 | 112.4 | P71 L74 F75 I186 L190 S222 F223 S228 L229 F230 | P71-Y226 HydrophobicContact CB-CE1 3.93Å; P71-Y226 HydrophobicContact CG-CE1 4.18Å; L74-Y226 HydrophobicContact CD1-CD1 3.87Å; L74-Y226 HydrophobicContact CD1-CG 4.17Å; F75-Y226 HydrophobicContact CE1-CE1 4.18Å; F75-Y226 HydrophobicContact CE2-CE1 4.11Å; F75-Y226 HydrophobicContact CZ-CD1 4.32Å; F75-Y226 AromaticContact CZ-CE1 3.55Å; F75-Y226 HydrophobicContact CZ-CE1 3.55Å; I186-Y226 HydrophobicContact CG2-CD2 4.39Å; L190-Y226 HydrophobicContact CD1-CD2 3.52Å; L190-Y226 HydrophobicContact CD1-CE2 3.61Å; L190-Y226 HydrophobicContact CD1-CG 4.36Å; S222-Y226 WeakPolarHBondContact O-CD2 3.49Å; S222-Y226 VanDerWaalsContact O-CG 3.28Å; S222-Y226 PolarHBondContact O-N 3.35Å; F223-Y226 HydrophobicContact CD1-CD2 4.16Å; F223-Y226 PolarHBondContact O-N 3.25Å; Y226-S228 VanDerWaalsContact C-N 3.32Å; Y226-S228 PolarHBondContact O-N 2.91Å; Y226-L229 PolarHBondContact O-N 3.2Å; Y226-F230 WeakPolarHBondContact O-CB 3.38Å; Y226-F230 PolarHBondContact O-N 3.11Å |
| 227 | L | 91.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.1 | -44.1 | 173.6 | -179.7 | 62.8 | 0 | 0 | 0 | 111 | L165 F168 W182 L183 I186 F223 L225 F230 I231 | L165-L227 HydrophobicContact CD2-CD2 3.95Å; F168-L227 HydrophobicContact CB-CD2 4.46Å; F168-L227 HydrophobicContact CD2-CD2 4.37Å; F168-L227 HydrophobicContact CD2-CG 4.4Å; F168-L227 HydrophobicContact CG-CD2 4.2Å; W182-L227 HydrophobicContact CB-CD1 4.04Å; L183-L227 HydrophobicContact CD1-CD2 4.45Å; I186-L227 HydrophobicContact CD1-CB 4.45Å; I186-L227 HydrophobicContact CD1-CD1 4.48Å; F223-L227 WeakPolarHBondContact O-CB 3.39Å; F223-L227 PolarHBondContact O-N 3.34Å; L225-L227 PolarHBondContact O-N 3.36Å; L227-F230 PolarHBondContact O-N 2.9Å; L227-I231 HydrophobicContact CD1-CD1 3.85Å; L227-I231 HydrophobicContact CD1-CG1 4.29Å; L227-I231 HydrophobicContact CG-CD1 3.76Å; L227-I231 WeakPolarHBondContact O-CB 3.24Å; L227-I231 WeakPolarHBondContact O-CD1 3.39Å; L227-I231 VanDerWaalsContact O-CG1 3.28Å; L227-I231 WeakPolarHBondContact O-CG1 3.4Å; L227-I231 PolarHBondContact O-N 3.39Å |
| 228 | S | 91.5 | Very high | 83.1 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.8 | -48.8 | 176 | 172.1 | 0 | 0 | 0 | 0 | 112.7 | K172 A224 L225 Y226 I231 D232 | K172-S228 WeakPolarHBondContact CE-OG 3.44Å; A224-S228 VanDerWaalsContact O-CB 3.26Å; A224-S228 WeakPolarHBondContact O-CB 3.46Å; A224-S228 PolarHBondContact O-N 3.2Å; L225-S228 WeakPolarHBondContact O-CB 3.15Å; L225-S228 PolarHBondContact O-N 3.22Å; L225-S228 VanDerWaalsContact O-N 3.16Å; Y226-S228 VanDerWaalsContact C-N 3.32Å; Y226-S228 PolarHBondContact O-N 2.91Å; S228-I231 PolarHBondContact O-N 3.38Å; S228-D232 WeakPolarHBondContact O-CB 3.49Å; S228-D232 PolarHBondContact O-N 2.94Å |
| 229 | L | 90 | Very high | 82.2 | Confident | 15 Ų | 15 | 23 Ų | 23 | 8% | 0.079 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 179.5 | -65.9 | 173.3 | 0 | 0 | 0 | 111.1 | L74 F75 A78 A103 L225 Y226 I231 D232 I233 | L74-L229 HydrophobicContact CB-CB 4.49Å; L74-L229 HydrophobicContact CB-CD1 4.44Å; L74-L229 HydrophobicContact CD2-CB 4.46Å; F75-L229 HydrophobicContact CD1-CD1 3.34Å; F75-L229 HydrophobicContact CE1-CD1 3.39Å; A78-L229 HydrophobicContact CB-CD2 3.69Å; A103-L229 HydrophobicContact CB-CD1 4.29Å; L225-L229 HydrophobicContact CD1-CD1 3.95Å; L225-L229 HydrophobicContact CD1-CD2 4.43Å; L225-L229 HydrophobicContact CD1-CG 4Å; L225-L229 HydrophobicContact CG-CD1 4.11Å; L225-L229 WeakPolarHBondContact O-CG 3.4Å; L225-L229 PolarHBondContact O-N 3.11Å; Y226-L229 PolarHBondContact O-N 3.2Å; L229-I231 PolarHBondContact O-N 3.32Å; L229-D232 PolarHBondContact O-N 3.23Å; L229-I233 WeakPolarHBondContact O-CB 3.38Å; L229-I233 WeakPolarHBondContact O-CD1 3.37Å; L229-I233 WeakPolarHBondContact O-CG1 3.38Å; L229-I233 PolarHBondContact O-N 3.05Å |
| 230 | F | 88.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 177.1 | -177.1 | -96.3 | 0 | 0 | 0 | 111.5 | L74 W182 Y226 L227 D232 I233 M234 W299 L302 F303 F307 | L74-F230 HydrophobicContact CD2-CB 3.92Å; L74-F230 HydrophobicContact CD2-CD2 4.2Å; W182-F230 HydrophobicContact CB-CE1 4.48Å; W182-F230 HydrophobicContact CD2-CD1 4.2Å; W182-F230 AromaticContact CD2-CE1 3.77Å; W182-F230 HydrophobicContact CD2-CE1 3.77Å; W182-F230 AromaticContact CE3-CD1 3.49Å; W182-F230 HydrophobicContact CE3-CD1 3.49Å; W182-F230 VanDerWaalsContact CE3-CD1 3.49Å; W182-F230 AromaticContact CE3-CE1 3.44Å; W182-F230 HydrophobicContact CE3-CE1 3.44Å; W182-F230 VanDerWaalsContact CE3-CE1 3.44Å; W182-F230 HydrophobicContact CG-CE1 4.22Å; W182-F230 HydrophobicContact CZ3-CD1 4.05Å; W182-F230 AromaticContact CZ3-CE1 3.99Å; W182-F230 HydrophobicContact CZ3-CE1 3.99Å; Y226-F230 WeakPolarHBondContact O-CB 3.38Å; Y226-F230 PolarHBondContact O-N 3.11Å; L227-F230 PolarHBondContact O-N 2.9Å; F230-D232 PolarHBondContact O-N 3.28Å; F230-I233 PolarHBondContact O-N 3.32Å; F230-M234 HydrophobicContact CD1-CG 4.19Å; F230-M234 HydrophobicContact CE1-CG 3.82Å; F230-M234 HydrophobicContact CE2-CG 4.35Å; F230-M234 HydrophobicContact CZ-CG 3.91Å; F230-M234 HydrophobicContact CZ-SD 4.24Å; F230-M234 VanDerWaalsContact O-CG 3.32Å; F230-M234 WeakPolarHBondContact O-CG 3.26Å; F230-M234 PolarHBondContact O-N 3.48Å; F230-W299 HydrophobicContact CD1-CH2 4.38Å; F230-W299 HydrophobicContact CD2-CH2 4.46Å; F230-W299 HydrophobicContact CD2-CZ3 4.26Å; F230-W299 AromaticContact CE1-CH2 3.92Å; F230-W299 HydrophobicContact CE1-CH2 3.92Å; F230-W299 HydrophobicContact CE2-CH2 4.01Å; F230-W299 AromaticContact CE2-CZ3 3.96Å; F230-W299 HydrophobicContact CE2-CZ3 3.96Å; F230-W299 AromaticContact CZ-CH2 3.72Å; F230-W299 HydrophobicContact CZ-CH2 3.72Å; F230-W299 HydrophobicContact CZ-CZ2 4.25Å; F230-W299 HydrophobicContact CZ-CZ3 4.15Å; F230-L302 HydrophobicContact CE2-CD2 4.09Å; F230-L302 HydrophobicContact CZ-CD2 4.22Å; F230-F303 HydrophobicContact CD2-CE2 4.43Å; F230-F303 HydrophobicContact CD2-CZ 4.37Å; F230-F303 HydrophobicContact CE2-CE2 4.27Å; F230-F307 HydrophobicContact CD2-CD1 4.33Å; F230-F307 AromaticContact CD2-CE1 3.82Å; F230-F307 HydrophobicContact CD2-CE1 3.82Å; F230-F307 AromaticContact CE2-CD1 4Å; F230-F307 HydrophobicContact CE2-CD1 4Å; F230-F307 AromaticContact CE2-CE1 3.83Å; F230-F307 HydrophobicContact CE2-CE1 3.83Å |
| 231 | I | 85.2 | Confident | 78.4 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 176.2 | -69.7 | 163.1 | 0 | 0 | 0 | 111 | F168 I174 Y179 W182 L227 S228 L229 I233 M234 N235 | F168-I231 HydrophobicContact CD2-CD1 4.42Å; F168-I231 HydrophobicContact CE1-CD1 4.02Å; F168-I231 HydrophobicContact CE2-CD1 3.52Å; F168-I231 HydrophobicContact CZ-CD1 3.27Å; I174-I231 HydrophobicContact CD1-CG2 4.38Å; Y179-I231 HydrophobicContact CD1-CD1 3.65Å; Y179-I231 HydrophobicContact CD1-CG1 4.16Å; Y179-I231 HydrophobicContact CD2-CD1 4.22Å; Y179-I231 HydrophobicContact CE1-CD1 3.63Å; Y179-I231 HydrophobicContact CE1-CG1 3.97Å; Y179-I231 HydrophobicContact CE2-CD1 4.21Å; Y179-I231 HydrophobicContact CG-CD1 3.96Å; W182-I231 HydrophobicContact CE3-CG1 3.67Å; W182-I231 HydrophobicContact CZ3-CB 4.3Å; W182-I231 HydrophobicContact CZ3-CG1 3.49Å; W182-I231 VanDerWaalsContact CZ3-CG1 3.49Å; L227-I231 HydrophobicContact CD1-CD1 3.85Å; L227-I231 HydrophobicContact CD1-CG1 4.29Å; L227-I231 HydrophobicContact CG-CD1 3.76Å; L227-I231 WeakPolarHBondContact O-CB 3.24Å; L227-I231 WeakPolarHBondContact O-CD1 3.39Å; L227-I231 VanDerWaalsContact O-CG1 3.28Å; L227-I231 WeakPolarHBondContact O-CG1 3.4Å; L227-I231 PolarHBondContact O-N 3.39Å; S228-I231 PolarHBondContact O-N 3.38Å; L229-I231 PolarHBondContact O-N 3.32Å; I231-I233 PolarHBondContact O-N 3.3Å; I231-M234 PolarHBondContact O-N 2.89Å; I231-N235 VanDerWaalsContact CG2-ND2 3.33Å; I231-N235 WeakPolarHBondContact CG2-ND2 3.42Å; I231-N235 VanDerWaalsContact O-CB 3.27Å; I231-N235 WeakPolarHBondContact O-CB 3.26Å; I231-N235 VanDerWaalsContact O-CG 3.27Å; I231-N235 PolarHBondContact O-N 3.16Å; I231-N235 PolarHBondContact O-ND2 3.46Å |
| 232 | D | 85.9 | Confident | 76.3 | Confident | 45 Ų | 45 | 33.8 Ų | 33.8 | 24% | 0.241 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.1 | -42.2 | 177.6 | -72.2 | -25.2 | 0 | 0 | 0 | 111.8 | K172 S228 L229 F230 N235 K236 | K172-D232 IonicContact NZ-OD1 3.38Å; K172-D232 PolarHBondContact NZ-OD1 3.15Å; K172-D232 IonicContact NZ-OD2 3.78Å; K172-D232 PolarHBondContact NZ-OD2 3.06Å; S228-D232 WeakPolarHBondContact O-CB 3.49Å; S228-D232 PolarHBondContact O-N 2.94Å; L229-D232 PolarHBondContact O-N 3.23Å; F230-D232 PolarHBondContact O-N 3.28Å; D232-N235 PolarHBondContact O-N 3Å; D232-K236 VanDerWaalsContact O-CB 3.23Å; D232-K236 WeakPolarHBondContact O-CB 3.45Å; D232-K236 WeakPolarHBondContact O-CG 3.18Å; D232-K236 PolarHBondContact O-N 3.12Å |
| 233 | I | 82.4 | Confident | 74.3 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.9 | -48.9 | 177.7 | -71.3 | 163.8 | 0 | 0 | 0 | 110.2 | L74 V77 A78 F85 L229 F230 I231 N235 K236 K237 F307 | L74-I233 HydrophobicContact CD2-CD1 3.91Å; L74-I233 WeakPolarHBondContact O-CD1 3.43Å; V77-I233 HydrophobicContact CB-CD1 4.01Å; V77-I233 HydrophobicContact CB-CG1 4.38Å; V77-I233 HydrophobicContact CG1-CB 4.49Å; V77-I233 HydrophobicContact CG1-CD1 4.1Å; V77-I233 HydrophobicContact CG1-CG1 3.99Å; V77-I233 HydrophobicContact CG1-CG2 3.7Å; A78-I233 HydrophobicContact CB-CD1 4.36Å; A78-I233 HydrophobicContact CB-CG1 4.45Å; F85-I233 HydrophobicContact CE1-CG2 4.36Å; L229-I233 WeakPolarHBondContact O-CB 3.38Å; L229-I233 WeakPolarHBondContact O-CD1 3.37Å; L229-I233 WeakPolarHBondContact O-CG1 3.38Å; L229-I233 PolarHBondContact O-N 3.05Å; F230-I233 PolarHBondContact O-N 3.32Å; I231-I233 PolarHBondContact O-N 3.3Å; I233-N235 PolarHBondContact O-N 3.21Å; I233-K236 PolarHBondContact O-N 3.22Å; I233-K237 VanDerWaalsContact O-CB 3.31Å; I233-K237 WeakPolarHBondContact O-CB 3.02Å; I233-K237 PolarHBondContact O-N 3.39Å; I233-F307 HydrophobicContact CD1-CE2 4.28Å; I233-F307 HydrophobicContact CD1-CZ 4.43Å; I233-F307 HydrophobicContact CG2-CB 4.29Å; I233-F307 HydrophobicContact CG2-CD1 4.44Å; I233-F307 HydrophobicContact CG2-CD2 3.92Å; I233-F307 HydrophobicContact CG2-CE2 4.38Å; I233-F307 HydrophobicContact CG2-CG 3.96Å |
| 234 | M | 77.3 | Confident | 72.2 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 3% | 0.034 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62 | -43.1 | 178.3 | -67.9 | -56.8 | -66.7 | 0 | 0 | 111.4 | F230 I231 Y238 Y241 F283 I312 | F230-M234 HydrophobicContact CD1-CG 4.19Å; F230-M234 HydrophobicContact CE1-CG 3.82Å; F230-M234 HydrophobicContact CE2-CG 4.35Å; F230-M234 HydrophobicContact CZ-CG 3.91Å; F230-M234 HydrophobicContact CZ-SD 4.24Å; F230-M234 VanDerWaalsContact O-CG 3.32Å; F230-M234 WeakPolarHBondContact O-CG 3.26Å; F230-M234 PolarHBondContact O-N 3.48Å; I231-M234 PolarHBondContact O-N 2.89Å; M234-Y238 HydrophobicContact CE-CD2 4.05Å; M234-Y238 HydrophobicContact CE-CE2 4.1Å; M234-Y238 WeakPolarHBondContact O-CB 3.28Å; M234-Y238 WeakPolarHBondContact O-CD2 3.4Å; M234-Y238 PolarHBondContact O-N 2.86Å; M234-Y238 HydrophobicContact SD-CE2 4.41Å; M234-Y241 WeakPolarHBondContact CB-OH 3.43Å; M234-F283 HydrophobicContact CE-CE2 4.41Å; M234-I312 HydrophobicContact CE-CD1 4.47Å |
| 235 | N | 75.9 | Confident | 69.9 | Low | 55 Ų | 55 | 42.4 Ų | 42.4 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.3 | -38.9 | 176.4 | -77.4 | -30.1 | 0 | 0 | 0 | 113.4 | I231 D232 I233 Y238 G239 Y241 | I231-N235 VanDerWaalsContact CG2-ND2 3.33Å; I231-N235 WeakPolarHBondContact CG2-ND2 3.42Å; I231-N235 VanDerWaalsContact O-CB 3.27Å; I231-N235 WeakPolarHBondContact O-CB 3.26Å; I231-N235 VanDerWaalsContact O-CG 3.27Å; I231-N235 PolarHBondContact O-N 3.16Å; I231-N235 PolarHBondContact O-ND2 3.46Å; D232-N235 PolarHBondContact O-N 3Å; I233-N235 PolarHBondContact O-N 3.21Å; N235-Y238 CarbonylContact O-C 3.51Å; N235-G239 WeakPolarHBondContact O-CA 3.33Å; N235-G239 PolarHBondContact O-N 2.95Å; N235-Y241 VanDerWaalsContact OD1-CE2 3.29Å; N235-Y241 WeakPolarHBondContact OD1-CE2 3.32Å |
| 236 | K | 75.6 | Confident | 67.7 | Low | 80 Ų | 80 | 46 Ų | 46 | 35% | 0.348 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.7 | -46.7 | 178.8 | -82.5 | 179.1 | 177.7 | -170.1 | 0 | 111.1 | A78 F85 D232 I233 | A78-K236 PolarHBondContact O-NZ 2.79Å; F85-K236 HydrophobicContact CE1-CB 4.5Å; F85-K236 HydrophobicContact CE2-CB 3.9Å; F85-K236 HydrophobicContact CE2-CD 4.3Å; F85-K236 HydrophobicContact CZ-CB 3.56Å; F85-K236 HydrophobicContact CZ-CD 3.88Å; F85-K236 HydrophobicContact CZ-CG 4.4Å; D232-K236 VanDerWaalsContact O-CB 3.23Å; D232-K236 WeakPolarHBondContact O-CB 3.45Å; D232-K236 WeakPolarHBondContact O-CG 3.18Å; D232-K236 PolarHBondContact O-N 3.12Å; I233-K236 PolarHBondContact O-N 3.22Å |
| 237 | K | 68.9 | Low | 65.7 | Low | 47 Ų | 47 | 49.2 Ų | 49.2 | 20% | 0.204 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.6 | -35.3 | -177.5 | -164.9 | 170.5 | -175.6 | 175.5 | 0 | 111.6 | F85 I233 S306 F307 | F85-K237 HydrophobicContact CB-CG 4.39Å; F85-K237 HydrophobicContact CD1-CB 3.97Å; F85-K237 HydrophobicContact CD1-CD 3.92Å; F85-K237 HydrophobicContact CD1-CG 3.97Å; F85-K237 HydrophobicContact CE1-CB 4.1Å; F85-K237 HydrophobicContact CG-CB 4.44Å; F85-K237 HydrophobicContact CG-CG 4.27Å; I233-K237 VanDerWaalsContact O-CB 3.31Å; I233-K237 WeakPolarHBondContact O-CB 3.02Å; I233-K237 PolarHBondContact O-N 3.39Å; K237-S306 PolarHBondContact NZ-O 3.04Å; K237-F307 PolarHBondContact NZ-O 2.83Å |
| 238 | Y | 60.7 | Low | 63.5 | Low | 33 Ų | 33 | 50.7 Ų | 50.7 | 13% | 0.129 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -123.8 | 74.6 | -178.8 | -51.1 | -76.2 | 0 | 0 | 0 | 109.4 | M234 N235 L240 N244 F307 C309 | M234-Y238 HydrophobicContact CE-CD2 4.05Å; M234-Y238 HydrophobicContact CE-CE2 4.1Å; M234-Y238 WeakPolarHBondContact O-CB 3.28Å; M234-Y238 WeakPolarHBondContact O-CD2 3.4Å; M234-Y238 PolarHBondContact O-N 2.86Å; M234-Y238 HydrophobicContact SD-CE2 4.41Å; N235-Y238 CarbonylContact O-C 3.51Å; Y238-L240 PolarHBondContact O-N 2.68Å; Y238-N244 WeakPolarHBondContact CA-ND2 3.4Å; Y238-N244 WeakPolarHBondContact CB-ND2 3.37Å; Y238-N244 HydrophobicContact CD1-CB 4.41Å; Y238-N244 WeakPolarHBondContact CD1-ND2 3.36Å; Y238-F307 PolarHBondContact OH-O 3.43Å; Y238-F307 VanDerWaalsContact OH-O 3.1Å; Y238-C309 HydrophobicContact CE1-CB 3.64Å; Y238-C309 WeakPolarHBondContact CE1-SG 3.49Å; Y238-C309 HydrophobicContact CE2-CB 4.4Å; Y238-C309 WeakPolarHBondContact CE2-SG 3.41Å; Y238-C309 VanDerWaalsContact CZ-CB 3.5Å; Y238-C309 WeakPolarHBondContact OH-CB 3.35Å; Y238-C309 PolarHBondContact OH-N 2.67Å; Y238-C309 PolarHBondContact OH-SG 3.3Å |
| 239 | G | 55.6 | Low | 61.5 | Low | 37 Ų | 37 | 52.3 Ų | 52.3 | 38% | 0.381 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -50.4 | 126.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N235 | N235-G239 WeakPolarHBondContact O-CA 3.33Å; N235-G239 PolarHBondContact O-N 2.95Å |
| 240 | L | 43.9 | Very low | 59.6 | Low | 148 Ų | 148 | 56.9 Ų | 56.9 | 78% | 0.775 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 50.1 | 90.8 | -176.9 | -71.5 | 160.1 | 0 | 0 | 0 | 112.7 | Y238 H242 N243 | Y238-L240 PolarHBondContact O-N 2.68Å; L240-H242 PolarHBondContact O-N 3.37Å; L240-N243 PolarHBondContact O-N 3.25Å; L240-N243 VanDerWaalsContact O-N 3.15Å |
| 241 | Y | 39.8 | Very low | 58 | Low | 71 Ų | 71 | 61.6 Ų | 61.6 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -26.1 | -36.9 | 173.9 | -100.4 | -94.7 | 0 | 0 | 0 | 116.6 | W182 M234 N235 I245 | W182-Y241 HydrophobicContact CH2-CE1 4.22Å; W182-Y241 HydrophobicContact CH2-CE2 4.22Å; W182-Y241 AromaticContact CH2-CZ 3.52Å; W182-Y241 WeakPolarHBondContact CH2-OH 3.36Å; W182-Y241 HydrophobicContact CZ2-CE1 4.19Å; W182-Y241 AromaticContact CZ2-CZ 3.93Å; W182-Y241 WeakPolarHBondContact CZ2-OH 3.48Å; M234-Y241 WeakPolarHBondContact CB-OH 3.43Å; N235-Y241 VanDerWaalsContact OD1-CE2 3.29Å; N235-Y241 WeakPolarHBondContact OD1-CE2 3.32Å; Y241-I245 HydrophobicContact CD1-CD1 4.16Å; Y241-I245 WeakPolarHBondContact O-CB 3.12Å; Y241-I245 WeakPolarHBondContact O-CD1 3.03Å; Y241-I245 WeakPolarHBondContact O-CG1 2.98Å; Y241-I245 PolarHBondContact O-N 2.91Å |
| 242 | H | 41.6 | Very low | 56.2 | Low | 116 Ų | 116 | 62.2 Ų | 62.2 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.3 | -47.1 | -176.8 | -110.1 | 34.9 | 0 | 0 | 0 | 115.6 | L240 N244 I245 N246 | L240-H242 PolarHBondContact O-N 3.37Å; H242-N244 VanDerWaalsContact C-N 3.33Å; H242-N244 PolarHBondContact O-N 2.57Å; H242-I245 PolarHBondContact O-N 2.97Å; H242-N246 PolarHBondContact O-N 2.91Å |
| 243 | N | 42.8 | Very low | 54.5 | Low | 117 Ų | 117 | 64.5 Ų | 64.5 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -69.7 | -35.4 | -172.8 | -78.9 | -1.4 | 0 | 0 | 0 | 111.8 | L240 N247 | L240-N243 PolarHBondContact O-N 3.25Å; L240-N243 VanDerWaalsContact O-N 3.15Å; N243-N247 PolarHBondContact O-N 3.09Å |
| 244 | N | 44.9 | Very low | 53.2 | Low | 44 Ų | 44 | 68.8 Ų | 68.8 | 24% | 0.235 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -81.3 | -29.2 | 180 | -79.3 | -20.8 | 0 | 0 | 0 | 113.4 | Y238 H242 N246 N247 I248 | Y238-N244 WeakPolarHBondContact CA-ND2 3.4Å; Y238-N244 WeakPolarHBondContact CB-ND2 3.37Å; Y238-N244 HydrophobicContact CD1-CB 4.41Å; Y238-N244 WeakPolarHBondContact CD1-ND2 3.36Å; H242-N244 VanDerWaalsContact C-N 3.33Å; H242-N244 PolarHBondContact O-N 2.57Å; N244-N246 VanDerWaalsContact C-N 3.25Å; N244-N246 PolarHBondContact O-N 3.48Å; N244-N247 PolarHBondContact O-N 3.45Å; N244-I248 WeakPolarHBondContact O-CB 3.37Å; N244-I248 WeakPolarHBondContact O-CD1 3.46Å; N244-I248 WeakPolarHBondContact O-CG1 3.28Å; N244-I248 PolarHBondContact O-N 3.19Å |
| 245 | I | 43.3 | Very low | 51.9 | Low | 41 Ų | 41 | 72 Ų | 72 | 21% | 0.21 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 170.4 | -76.1 | 168.6 | 0 | 0 | 0 | 109.6 | Y241 H242 I248 I249 | Y241-I245 HydrophobicContact CD1-CD1 4.16Å; Y241-I245 WeakPolarHBondContact O-CB 3.12Å; Y241-I245 WeakPolarHBondContact O-CD1 3.03Å; Y241-I245 WeakPolarHBondContact O-CG1 2.98Å; Y241-I245 PolarHBondContact O-N 2.91Å; H242-I245 PolarHBondContact O-N 2.97Å; I245-I248 PolarHBondContact O-N 2.87Å; I245-I249 HydrophobicContact CG2-CD1 3.4Å; I245-I249 HydrophobicContact CG2-CG1 4.09Å; I245-I249 WeakPolarHBondContact O-CB 3.49Å; I245-I249 WeakPolarHBondContact O-CG1 3.4Å; I245-I249 PolarHBondContact O-N 2.77Å |
| 246 | N | 46.4 | Very low | 50.6 | Low | 81 Ų | 81 | 69.6 Ų | 69.6 | 43% | 0.433 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 176.8 | -71.9 | -15.5 | 0 | 0 | 0 | 112.2 | H242 N244 I248 I249 E250 | H242-N246 PolarHBondContact O-N 2.91Å; N244-N246 VanDerWaalsContact C-N 3.25Å; N244-N246 PolarHBondContact O-N 3.48Å; N246-I248 PolarHBondContact O-N 2.85Å; N246-I249 PolarHBondContact O-N 3.03Å; N246-E250 WeakPolarHBondContact O-CB 3.49Å; N246-E250 PolarHBondContact O-N 3.21Å |
| 247 | N | 47.8 | Very low | 49.5 | Very low | 92 Ų | 92 | 69 Ų | 69 | 49% | 0.492 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 175.4 | -80.9 | -13 | 0 | 0 | 0 | 113.1 | N243 N244 E250 K251 | N243-N247 PolarHBondContact O-N 3.09Å; N244-N247 PolarHBondContact O-N 3.45Å; N247-E250 PolarHBondContact O-N 2.75Å; N247-K251 WeakPolarHBondContact O-CB 3.31Å; N247-K251 PolarHBondContact O-N 3.29Å |
| 248 | I | 46.3 | Very low | 48.8 | Very low | 32 Ų | 32 | 75.2 Ų | 75.2 | 16% | 0.164 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.3 | -51.8 | 175.8 | -73 | 167.9 | 0 | 0 | 0 | 108.1 | N244 I245 N246 E250 K251 T252 C309 I313 | N244-I248 WeakPolarHBondContact O-CB 3.37Å; N244-I248 WeakPolarHBondContact O-CD1 3.46Å; N244-I248 WeakPolarHBondContact O-CG1 3.28Å; N244-I248 PolarHBondContact O-N 3.19Å; I245-I248 PolarHBondContact O-N 2.87Å; N246-I248 PolarHBondContact O-N 2.85Å; I248-E250 VanDerWaalsContact C-N 3.28Å; I248-E250 PolarHBondContact O-N 2.83Å; I248-K251 PolarHBondContact O-N 3.26Å; I248-T252 WeakPolarHBondContact O-CB 3.41Å; I248-T252 PolarHBondContact O-N 3.29Å; I248-T252 PolarHBondContact O-OG1 3.28Å; I248-C309 HydrophobicContact CD1-CB 4.32Å; I248-I313 HydrophobicContact CB-CD1 4.46Å; I248-I313 HydrophobicContact CG1-CD1 4.38Å; I248-I313 HydrophobicContact CG2-CD1 4.04Å; I248-I313 HydrophobicContact CG2-CG1 3.74Å |
| 249 | I | 48.3 | Very low | 48.4 | Very low | 37 Ų | 37 | 75 Ų | 75 | 19% | 0.19 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -53.8 | -47.3 | 175 | -73.6 | 168.3 | 0 | 0 | 0 | 109.9 | I245 N246 T252 M253 L281 | I245-I249 HydrophobicContact CG2-CD1 3.4Å; I245-I249 HydrophobicContact CG2-CG1 4.09Å; I245-I249 WeakPolarHBondContact O-CB 3.49Å; I245-I249 WeakPolarHBondContact O-CG1 3.4Å; I245-I249 PolarHBondContact O-N 2.77Å; N246-I249 PolarHBondContact O-N 3.03Å; I249-T252 PolarHBondContact O-N 3.38Å; I249-M253 HydrophobicContact CG2-CE 3.48Å; I249-M253 VanDerWaalsContact CG2-CE 3.48Å; I249-M253 HydrophobicContact CG2-CG 4.19Å; I249-M253 HydrophobicContact CG2-SD 3.81Å; I249-M253 WeakPolarHBondContact O-CA 3.34Å; I249-M253 WeakPolarHBondContact O-CB 3.13Å; I249-M253 WeakPolarHBondContact O-CG 3.28Å; I249-M253 PolarHBondContact O-N 3.1Å; I249-L281 HydrophobicContact CD1-CB 4.12Å; I249-L281 HydrophobicContact CD1-CD2 4.5Å; I249-L281 HydrophobicContact CG1-CB 4.24Å; I249-L281 HydrophobicContact CG1-CD2 3.69Å; I249-L281 HydrophobicContact CG1-CG 4.35Å |
| 250 | E | 51.5 | Low | 48.5 | Very low | 111 Ų | 111 | 78.8 Ų | 78.8 | 52% | 0.519 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.1 | -41.9 | -177.2 | -169.5 | 178.6 | -178.6 | 0 | 0 | 111.9 | N246 N247 I248 M253 N254 | N246-E250 WeakPolarHBondContact O-CB 3.49Å; N246-E250 PolarHBondContact O-N 3.21Å; N247-E250 PolarHBondContact O-N 2.75Å; I248-E250 VanDerWaalsContact C-N 3.28Å; I248-E250 PolarHBondContact O-N 2.83Å; E250-M253 PolarHBondContact O-N 3.38Å; E250-N254 VanDerWaalsContact O-CB 3.28Å; E250-N254 WeakPolarHBondContact O-CB 3.26Å; E250-N254 VanDerWaalsContact O-CG 3.27Å; E250-N254 PolarHBondContact O-N 3.04Å; E250-N254 PolarHBondContact O-ND2 2.95Å |
| 251 | K | 53.1 | Low | 48.9 | Very low | 99 Ų | 99 | 72.2 Ų | 72.2 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 175.6 | -167.6 | -179.1 | -179.3 | -168.7 | 0 | 111.2 | N247 I248 N254 N255 D310 I313 | N247-K251 WeakPolarHBondContact O-CB 3.31Å; N247-K251 PolarHBondContact O-N 3.29Å; I248-K251 PolarHBondContact O-N 3.26Å; K251-N254 PolarHBondContact O-N 3.4Å; K251-N255 WeakPolarHBondContact O-CB 3.35Å; K251-N255 PolarHBondContact O-N 3.35Å; K251-D310 IonicContact NZ-OD1 2.99Å; K251-D310 PolarHBondContact NZ-OD1 3.02Å; K251-I313 HydrophobicContact CB-CD1 4.45Å; K251-I313 HydrophobicContact CD-CD1 4.1Å |
| 252 | T | 48.6 | Very low | 49.4 | Very low | 13 Ų | 13 | 69.5 Ų | 69.5 | 8% | 0.08 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 173.7 | -49 | 0 | 0 | 0 | 0 | 109.3 | I248 I249 N254 N255 I256 I313 | I248-T252 WeakPolarHBondContact O-CB 3.41Å; I248-T252 PolarHBondContact O-N 3.29Å; I248-T252 PolarHBondContact O-OG1 3.28Å; I249-T252 PolarHBondContact O-N 3.38Å; T252-N254 PolarHBondContact O-N 3.48Å; T252-N255 PolarHBondContact O-N 3.1Å; T252-I256 HydrophobicContact CG2-CD1 3.33Å; T252-I256 HydrophobicContact CG2-CG1 4.26Å; T252-I256 VanDerWaalsContact O-CB 3.25Å; T252-I256 WeakPolarHBondContact O-CB 3.01Å; T252-I256 WeakPolarHBondContact O-CD1 3.43Å; T252-I256 WeakPolarHBondContact O-CG1 3.29Å; T252-I256 PolarHBondContact O-N 3.31Å; T252-I313 HydrophobicContact CG2-CG2 4.08Å; T252-I313 WeakPolarHBondContact OG1-CG1 3.32Å; T252-I313 WeakPolarHBondContact OG1-CG2 3.4Å |
| 253 | M | 50.2 | Low | 50.2 | Low | 93 Ų | 93 | 70 Ų | 70 | 46% | 0.458 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 174.6 | -79.2 | -178.3 | -177.5 | 0 | 0 | 111.8 | I249 E250 I256 N257 | I249-M253 HydrophobicContact CG2-CE 3.48Å; I249-M253 VanDerWaalsContact CG2-CE 3.48Å; I249-M253 HydrophobicContact CG2-CG 4.19Å; I249-M253 HydrophobicContact CG2-SD 3.81Å; I249-M253 WeakPolarHBondContact O-CA 3.34Å; I249-M253 WeakPolarHBondContact O-CB 3.13Å; I249-M253 WeakPolarHBondContact O-CG 3.28Å; I249-M253 PolarHBondContact O-N 3.1Å; E250-M253 PolarHBondContact O-N 3.38Å; M253-I256 PolarHBondContact O-N 3.02Å; M253-N257 WeakPolarHBondContact O-CA 3.24Å; M253-N257 WeakPolarHBondContact O-CB 3.49Å; M253-N257 PolarHBondContact O-N 2.64Å; M253-N257 PolarHBondContact O-ND2 2.82Å; M253-N257 PolarHBondContact O-OD1 2.99Å |
| 254 | N | 54 | Low | 50.9 | Low | 91 Ų | 91 | 66.1 Ų | 66.1 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.3 | -41.9 | 179.3 | -80.8 | -24.4 | 0 | 0 | 0 | 112.9 | E250 K251 T252 | E250-N254 VanDerWaalsContact O-CB 3.28Å; E250-N254 WeakPolarHBondContact O-CB 3.26Å; E250-N254 VanDerWaalsContact O-CG 3.27Å; E250-N254 PolarHBondContact O-N 3.04Å; E250-N254 PolarHBondContact O-ND2 2.95Å; K251-N254 PolarHBondContact O-N 3.4Å; T252-N254 PolarHBondContact O-N 3.48Å |
| 255 | N | 50.8 | Low | 51.3 | Low | 75 Ų | 75 | 64.8 Ų | 64.8 | 40% | 0.401 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 174.2 | -79.2 | -9.6 | 0 | 0 | 0 | 111.3 | K251 T252 E317 | K251-N255 WeakPolarHBondContact O-CB 3.35Å; K251-N255 PolarHBondContact O-N 3.35Å; T252-N255 PolarHBondContact O-N 3.1Å; N255-E317 WeakPolarHBondContact CB-OE1 3.31Å; N255-E317 PolarHBondContact ND2-OE1 3.19Å |
| 256 | I | 48.4 | Very low | 51.7 | Low | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -87.4 | -17.4 | -174.6 | -49.4 | 169.6 | 0 | 0 | 0 | 112.3 | T252 M253 K258 L259 I262 E317 L320 | T252-I256 HydrophobicContact CG2-CD1 3.33Å; T252-I256 HydrophobicContact CG2-CG1 4.26Å; T252-I256 VanDerWaalsContact O-CB 3.25Å; T252-I256 WeakPolarHBondContact O-CB 3.01Å; T252-I256 WeakPolarHBondContact O-CD1 3.43Å; T252-I256 WeakPolarHBondContact O-CG1 3.29Å; T252-I256 PolarHBondContact O-N 3.31Å; M253-I256 PolarHBondContact O-N 3.02Å; I256-K258 PolarHBondContact O-N 3.49Å; I256-L259 HydrophobicContact CB-CD1 4.45Å; I256-L259 HydrophobicContact CG2-CB 4.27Å; I256-L259 HydrophobicContact CG2-CD1 3.58Å; I256-L259 HydrophobicContact CG2-CG 4.37Å; I256-L259 WeakPolarHBondContact O-CB 3.46Å; I256-L259 PolarHBondContact O-N 3.39Å; I256-I262 HydrophobicContact CB-CD1 3.38Å; I256-I262 HydrophobicContact CB-CG1 4.03Å; I256-I262 HydrophobicContact CD1-CD1 4.5Å; I256-I262 HydrophobicContact CG2-CD1 3.13Å; I256-I262 HydrophobicContact CG2-CG1 3.24Å; I256-E317 HydrophobicContact CD1-CG 3.71Å; I256-E317 HydrophobicContact CG1-CG 3.64Å; I256-L320 HydrophobicContact CD1-CD1 3.59Å |
| 257 | N | 51.9 | Low | 52.3 | Low | 68 Ų | 68 | 68 Ų | 68 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -17.6 | 168.3 | -86.3 | -20 | 0 | 0 | 0 | 112.8 | M253 L259 Q266 | M253-N257 WeakPolarHBondContact O-CA 3.24Å; M253-N257 WeakPolarHBondContact O-CB 3.49Å; M253-N257 PolarHBondContact O-N 2.64Å; M253-N257 PolarHBondContact O-ND2 2.82Å; M253-N257 PolarHBondContact O-OD1 2.99Å; N257-L259 VanDerWaalsContact C-N 3.31Å; N257-Q266 PolarHBondContact OD1-NE2 2.82Å |
| 258 | K | 54 | Low | 52.3 | Low | 177 Ų | 177 | 64.2 Ų | 64.2 | 77% | 0.77 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -14.5 | 171.8 | -65.2 | 179.2 | 178.6 | 173.9 | 0 | 114 | I256 | I256-K258 PolarHBondContact O-N 3.49Š|
| 259 | L | 54.3 | Low | 52.3 | Low | 27 Ų | 27 | 66.3 Ų | 66.3 | 14% | 0.141 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -95.9 | 129.6 | -178.6 | -67 | 166.1 | 0 | 0 | 0 | 110.9 | I256 N257 C261 I262 V321 | I256-L259 HydrophobicContact CB-CD1 4.45Å; I256-L259 HydrophobicContact CG2-CB 4.27Å; I256-L259 HydrophobicContact CG2-CD1 3.58Å; I256-L259 HydrophobicContact CG2-CG 4.37Å; I256-L259 WeakPolarHBondContact O-CB 3.46Å; I256-L259 PolarHBondContact O-N 3.39Å; N257-L259 VanDerWaalsContact C-N 3.31Å; L259-C261 PolarHBondContact O-N 2.89Å; L259-C261 VanDerWaalsContact O-N 3.12Å; L259-I262 PolarHBondContact O-N 3.45Å; L259-V321 HydrophobicContact CD1-CG2 3.79Å |
| 260 | Q | 56.4 | Low | 52.3 | Low | 117 Ų | 117 | 72.3 Ų | 72.3 | 55% | 0.547 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -53.6 | -33.6 | 176.8 | -75.7 | -178.6 | -4.8 | 0 | 0 | 113 | I262 Q263 H264 | Q260-I262 VanDerWaalsContact C-N 3.27Å; Q260-I262 PolarHBondContact O-N 2.96Å; Q260-Q263 PolarHBondContact O-N 2.96Å; Q260-Q263 VanDerWaalsContact O-N 3.11Å; Q260-H264 PolarHBondContact O-N 3.23Å |
| 261 | C | 53 | Low | 52 | Low | 10 Ų | 10 | 74 Ų | 74 | 7% | 0.068 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.5 | -31.2 | 177.4 | 60.3 | 0 | 0 | 0 | 0 | 112.6 | L259 H264 I265 L328 | L259-C261 PolarHBondContact O-N 2.89Å; L259-C261 VanDerWaalsContact O-N 3.12Å; C261-H264 WeakPolarHBondContact O-CB 3.17Å; C261-H264 PolarHBondContact O-N 3.04Å; C261-I265 VanDerWaalsContact O-CG1 3.24Å; C261-I265 WeakPolarHBondContact O-CG1 3.44Å; C261-I265 PolarHBondContact O-N 3.4Å; C261-L328 HydrophobicContact CB-CG 4.37Å |
| 262 | I | 50.8 | Low | 51.1 | Low | 15 Ų | 15 | 70.8 Ų | 70.8 | 8% | 0.077 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -78.9 | -27.9 | 171.3 | -43.6 | -163.3 | 0 | 0 | 0 | 114.8 | I256 L259 Q260 H264 I265 Q266 | I256-I262 HydrophobicContact CB-CD1 3.38Å; I256-I262 HydrophobicContact CB-CG1 4.03Å; I256-I262 HydrophobicContact CD1-CD1 4.5Å; I256-I262 HydrophobicContact CG2-CD1 3.13Å; I256-I262 HydrophobicContact CG2-CG1 3.24Å; L259-I262 PolarHBondContact O-N 3.45Å; Q260-I262 VanDerWaalsContact C-N 3.27Å; Q260-I262 PolarHBondContact O-N 2.96Å; I262-H264 PolarHBondContact O-N 3.45Å; I262-I265 HydrophobicContact CB-CB 4.43Å; I262-I265 HydrophobicContact CG1-CD1 4.19Å; I262-I265 CarbonylContact O-C 3.53Å; I262-I265 PolarHBondContact O-N 2.74Å; I262-I265 VanDerWaalsContact O-N 3.17Å; I262-Q266 HydrophobicContact CG2-CG 4.41Å; I262-Q266 WeakPolarHBondContact O-CA 3.17Å; I262-Q266 WeakPolarHBondContact O-CB 3.37Å; I262-Q266 VanDerWaalsContact O-CG 3.28Å; I262-Q266 WeakPolarHBondContact O-CG 3.46Å; I262-Q266 PolarHBondContact O-N 3.48Å |
| 263 | Q | 57.9 | Low | 50.5 | Low | 125 Ų | 125 | 75 Ų | 75 | 58% | 0.584 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.6 | -37.6 | 171.8 | -102.7 | 171.5 | -15.5 | 0 | 0 | 109.5 | Q260 N267 | Q260-Q263 PolarHBondContact O-N 2.96Å; Q260-Q263 VanDerWaalsContact O-N 3.11Å; Q263-N267 VanDerWaalsContact O-CB 3.3Å; Q263-N267 WeakPolarHBondContact O-CB 3.27Å; Q263-N267 PolarHBondContact O-N 3.3Å; Q263-N267 PolarHBondContact O-ND2 3.15Å; Q263-N267 PolarHBondContact O-OD1 2.91Å |
| 264 | H | 56.7 | Low | 50 | Low | 37 Ų | 37 | 78.1 Ų | 78.1 | 17% | 0.171 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.1 | -48.6 | 170.1 | -167.1 | 68.8 | 0 | 0 | 0 | 113.1 | Q260 C261 I262 Q266 N267 V268 I327 L328 I330 | Q260-H264 PolarHBondContact O-N 3.23Å; C261-H264 WeakPolarHBondContact O-CB 3.17Å; C261-H264 PolarHBondContact O-N 3.04Å; I262-H264 PolarHBondContact O-N 3.45Å; H264-Q266 PolarHBondContact O-N 3.12Å; H264-N267 WeakPolarHBondContact O-CB 3.49Å; H264-N267 PolarHBondContact O-N 3.47Å; H264-N267 VanDerWaalsContact O-N 3.16Å; H264-V268 WeakPolarHBondContact O-CG2 3.33Å; H264-V268 PolarHBondContact O-N 3.35Å; H264-I327 PolarHBondContact CD2-O 2.75Å; H264-I327 VanDerWaalsContact CD2-O 3.24Å; H264-I327 PolarHBondContact NE2-O 3.41Å; H264-L328 HydrophobicContact CB-CD2 3.7Å; H264-I330 PolarHBondContact NE2-O 3.45Å |
| 265 | I | 53.8 | Low | 49.2 | Very low | 15 Ų | 15 | 82 Ų | 82 | 8% | 0.077 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -55 | -56.5 | 175.5 | -66.1 | 161.5 | 0 | 0 | 0 | 109 | C261 I262 N267 V268 Y269 L320 I327 M336 F340 | C261-I265 VanDerWaalsContact O-CG1 3.24Å; C261-I265 WeakPolarHBondContact O-CG1 3.44Å; C261-I265 PolarHBondContact O-N 3.4Å; I262-I265 HydrophobicContact CB-CB 4.43Å; I262-I265 HydrophobicContact CG1-CD1 4.19Å; I262-I265 CarbonylContact O-C 3.53Å; I262-I265 PolarHBondContact O-N 2.74Å; I262-I265 VanDerWaalsContact O-N 3.17Å; I265-N267 VanDerWaalsContact C-N 3.29Å; I265-N267 PolarHBondContact O-N 3.28Å; I265-V268 CarbonylContact O-C 3.59Å; I265-V268 WeakPolarHBondContact O-CA 3.36Å; I265-V268 PolarHBondContact O-N 3.02Å; I265-Y269 HydrophobicContact CG2-CD2 3.31Å; I265-Y269 HydrophobicContact CG2-CE2 3.79Å; I265-Y269 HydrophobicContact CG2-CG 4.02Å; I265-Y269 WeakPolarHBondContact O-CA 3.39Å; I265-Y269 WeakPolarHBondContact O-CB 3.14Å; I265-Y269 PolarHBondContact O-N 3.14Å; I265-L320 HydrophobicContact CD1-CD2 4.43Å; I265-I327 HydrophobicContact CD1-CD1 4.06Å; I265-I327 HydrophobicContact CD1-CG2 3.94Å; I265-I327 HydrophobicContact CG1-CG2 3.42Å; I265-I327 VanDerWaalsContact CG1-CG2 3.42Å; I265-M336 HydrophobicContact CG1-CE 4.46Å; I265-F340 HydrophobicContact CD1-CZ 4.45Å |
| 266 | Q | 52.3 | Low | 48.5 | Very low | 77 Ų | 77 | 82 Ų | 82 | 36% | 0.36 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -53.9 | -37.5 | 176.8 | -73.5 | 179.5 | -14.5 | 0 | 0 | 113.3 | N257 I262 H264 Y269 K270 | N257-Q266 PolarHBondContact OD1-NE2 2.82Å; I262-Q266 HydrophobicContact CG2-CG 4.41Å; I262-Q266 WeakPolarHBondContact O-CA 3.17Å; I262-Q266 WeakPolarHBondContact O-CB 3.37Å; I262-Q266 VanDerWaalsContact O-CG 3.28Å; I262-Q266 WeakPolarHBondContact O-CG 3.46Å; I262-Q266 PolarHBondContact O-N 3.48Å; H264-Q266 PolarHBondContact O-N 3.12Å; Q266-Y269 CarbonylContact O-C 3.49Å; Q266-Y269 PolarHBondContact O-N 3.4Å; Q266-K270 PolarHBondContact O-N 3.23Å |
| 267 | N | 58.2 | Low | 47.8 | Very low | 112 Ų | 112 | 85.8 Ų | 85.8 | 60% | 0.599 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.3 | -44.7 | 174 | -75.4 | -16.7 | 0 | 0 | 0 | 111.3 | Q263 H264 I265 Y269 | Q263-N267 VanDerWaalsContact O-CB 3.3Å; Q263-N267 WeakPolarHBondContact O-CB 3.27Å; Q263-N267 PolarHBondContact O-N 3.3Å; Q263-N267 PolarHBondContact O-ND2 3.15Å; Q263-N267 PolarHBondContact O-OD1 2.91Å; H264-N267 WeakPolarHBondContact O-CB 3.49Å; H264-N267 PolarHBondContact O-N 3.47Å; H264-N267 VanDerWaalsContact O-N 3.16Å; I265-N267 VanDerWaalsContact C-N 3.29Å; I265-N267 PolarHBondContact O-N 3.28Å; N267-Y269 VanDerWaalsContact C-N 3.35Å |
| 268 | V | 48.5 | Very low | 46.9 | Very low | 14 Ų | 14 | 87.7 Ų | 87.7 | 9% | 0.085 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -71.3 | -30.7 | 172.4 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | H264 I265 E271 M336 | H264-V268 WeakPolarHBondContact O-CG2 3.33Å; H264-V268 PolarHBondContact O-N 3.35Å; I265-V268 CarbonylContact O-C 3.59Å; I265-V268 WeakPolarHBondContact O-CA 3.36Å; I265-V268 PolarHBondContact O-N 3.02Å; V268-E271 WeakPolarHBondContact O-CB 3.29Å; V268-E271 PolarHBondContact O-N 3.39Å; V268-M336 HydrophobicContact CB-CE 3.6Å; V268-M336 HydrophobicContact CB-SD 4.33Å; V268-M336 HydrophobicContact CG1-CE 3.53Å; V268-M336 HydrophobicContact CG1-SD 3.9Å; V268-M336 HydrophobicContact CG2-CE 3.92Å |
| 269 | Y | 45.9 | Very low | 45.9 | Very low | 76 Ų | 76 | 87.5 Ų | 87.5 | 30% | 0.298 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -81.7 | -21.1 | -175 | -120.9 | -106.2 | 0 | 0 | 0 | 112.5 | I265 Q266 N267 E271 F272 I273 M336 | I265-Y269 HydrophobicContact CG2-CD2 3.31Å; I265-Y269 HydrophobicContact CG2-CE2 3.79Å; I265-Y269 HydrophobicContact CG2-CG 4.02Å; I265-Y269 WeakPolarHBondContact O-CA 3.39Å; I265-Y269 WeakPolarHBondContact O-CB 3.14Å; I265-Y269 PolarHBondContact O-N 3.14Å; Q266-Y269 CarbonylContact O-C 3.49Å; Q266-Y269 PolarHBondContact O-N 3.4Å; N267-Y269 VanDerWaalsContact C-N 3.35Å; Y269-E271 PolarHBondContact O-N 3Å; Y269-E271 VanDerWaalsContact O-N 3.16Å; Y269-F272 HydrophobicContact CD1-CB 3.89Å; Y269-F272 HydrophobicContact CD1-CD1 4.34Å; Y269-F272 HydrophobicContact CD1-CG 4.44Å; Y269-F272 HydrophobicContact CD2-CB 4.17Å; Y269-F272 HydrophobicContact CE1-CB 4.23Å; Y269-F272 AromaticContact CE1-CD1 3.8Å; Y269-F272 HydrophobicContact CE1-CD1 3.8Å; Y269-F272 HydrophobicContact CE1-CG 4.29Å; Y269-F272 HydrophobicContact CE2-CD1 4.36Å; Y269-F272 HydrophobicContact CE2-CG 4.38Å; Y269-F272 HydrophobicContact CG-CB 3.87Å; Y269-F272 AromaticContact CZ-CD1 3.82Å; Y269-F272 CarbonylContact O-C 3.08Å; Y269-F272 WeakPolarHBondContact O-CA 3.48Å; Y269-F272 WeakPolarHBondContact O-CB 3.14Å; Y269-F272 PolarHBondContact O-N 2.85Å; Y269-I273 HydrophobicContact CD1-CG1 4.13Å; Y269-I273 WeakPolarHBondContact O-CG1 3.23Å; Y269-I273 PolarHBondContact O-N 2.75Å; Y269-M336 HydrophobicContact CD2-SD 4.22Å; Y269-M336 HydrophobicContact CE2-SD 4.42Å |
| 270 | K | 47.4 | Very low | 44.9 | Very low | 162 Ų | 162 | 92.9 Ų | 92.9 | 70% | 0.704 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24.6 | 168.5 | -92.5 | -178.4 | 177.8 | 175.7 | 0 | 111 | Q266 | Q266-K270 PolarHBondContact O-N 3.23Š|
| 271 | E | 45.2 | Very low | 43.9 | Very low | 148 Ų | 148 | 91.8 Ų | 91.8 | 69% | 0.692 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -30.9 | 165.8 | -66.9 | -167.8 | 146.6 | 0 | 0 | 113.4 | V268 Y269 L333 | V268-E271 WeakPolarHBondContact O-CB 3.29Å; V268-E271 PolarHBondContact O-N 3.39Å; Y269-E271 PolarHBondContact O-N 3Å; Y269-E271 VanDerWaalsContact O-N 3.16Å; E271-L333 HydrophobicContact CB-CD1 4.43Å |
| 272 | F | 36 | Very low | 43.4 | Very low | 31 Ų | 31 | 93.1 Ų | 93.1 | 14% | 0.136 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -29.5 | -176.1 | -151 | -89.4 | 0 | 0 | 0 | 115.5 | Y269 L274 E275 N276 L333 E337 | Y269-F272 HydrophobicContact CD1-CB 3.89Å; Y269-F272 HydrophobicContact CD1-CD1 4.34Å; Y269-F272 HydrophobicContact CD1-CG 4.44Å; Y269-F272 HydrophobicContact CD2-CB 4.17Å; Y269-F272 HydrophobicContact CE1-CB 4.23Å; Y269-F272 AromaticContact CE1-CD1 3.8Å; Y269-F272 HydrophobicContact CE1-CD1 3.8Å; Y269-F272 HydrophobicContact CE1-CG 4.29Å; Y269-F272 HydrophobicContact CE2-CD1 4.36Å; Y269-F272 HydrophobicContact CE2-CG 4.38Å; Y269-F272 HydrophobicContact CG-CB 3.87Å; Y269-F272 AromaticContact CZ-CD1 3.82Å; Y269-F272 CarbonylContact O-C 3.08Å; Y269-F272 WeakPolarHBondContact O-CA 3.48Å; Y269-F272 WeakPolarHBondContact O-CB 3.14Å; Y269-F272 PolarHBondContact O-N 2.85Å; F272-L274 PolarHBondContact O-N 2.95Å; F272-E275 PolarHBondContact O-N 2.91Å; F272-N276 HydrophobicContact CD1-CB 4.07Å; F272-N276 HydrophobicContact CE1-CB 3.5Å; F272-N276 VanDerWaalsContact CE1-ND2 3.34Å; F272-N276 WeakPolarHBondContact CE1-ND2 3.39Å; F272-N276 HydrophobicContact CZ-CB 4.32Å; F272-N276 VanDerWaalsContact CZ-ND2 3.3Å; F272-N276 WeakPolarHBondContact CZ-ND2 3.31Å; F272-L333 HydrophobicContact CB-CD1 4.24Å; F272-L333 HydrophobicContact CD2-CD1 3.38Å; F272-L333 HydrophobicContact CD2-CD2 4.03Å; F272-L333 HydrophobicContact CD2-CG 3.59Å; F272-L333 HydrophobicContact CE2-CD1 4.11Å; F272-L333 HydrophobicContact CE2-CD2 3.89Å; F272-L333 HydrophobicContact CE2-CG 3.92Å; F272-L333 HydrophobicContact CG-CD1 4.26Å; F272-E337 HydrophobicContact CE2-CG 3.83Å; F272-E337 VanDerWaalsContact CE2-OE1 3.23Å; F272-E337 WeakPolarHBondContact CE2-OE1 3.22Å; F272-E337 HydrophobicContact CZ-CG 4.27Å; F272-E337 WeakPolarHBondContact CZ-OE1 3.25Å |
| 273 | I | 35.5 | Very low | 43.1 | Very low | 102 Ų | 102 | 93.4 Ų | 93.4 | 52% | 0.523 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58 | -27.4 | -172.7 | -76 | 170.9 | 0 | 0 | 0 | 112.5 | Y269 E275 | Y269-I273 HydrophobicContact CD1-CG1 4.13Å; Y269-I273 WeakPolarHBondContact O-CG1 3.23Å; Y269-I273 PolarHBondContact O-N 2.75Å; I273-E275 VanDerWaalsContact C-N 3.29Å; I273-E275 PolarHBondContact O-N 2.76Å |
| 274 | L | 38.9 | Very low | 42.6 | Very low | 157 Ų | 157 | 89.7 Ų | 89.7 | 82% | 0.822 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -70.1 | -16.9 | -175.1 | -96.3 | 153.7 | 0 | 0 | 0 | 114.7 | F272 | F272-L274 PolarHBondContact O-N 2.95Å |
| 275 | E | 37 | Very low | 42.1 | Very low | 172 Ų | 172 | 90.7 Ų | 90.7 | 80% | 0.804 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -121.9 | -27.5 | -176.2 | -71.4 | -164.4 | 155.1 | 0 | 0 | 117.3 | F272 I273 | F272-E275 PolarHBondContact O-N 2.91Å; I273-E275 VanDerWaalsContact C-N 3.29Å; I273-E275 PolarHBondContact O-N 2.76Å |
| 276 | N | 36.1 | Very low | 42.4 | Very low | 76 Ų | 76 | 90.6 Ų | 90.6 | 41% | 0.406 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -118.4 | 9.5 | -165 | -79.2 | -41.3 | 0 | 0 | 0 | 116.9 | F272 N278 | F272-N276 HydrophobicContact CD1-CB 4.07Å; F272-N276 HydrophobicContact CE1-CB 3.5Å; F272-N276 VanDerWaalsContact CE1-ND2 3.34Å; F272-N276 WeakPolarHBondContact CE1-ND2 3.39Å; F272-N276 HydrophobicContact CZ-CB 4.32Å; F272-N276 VanDerWaalsContact CZ-ND2 3.3Å; F272-N276 WeakPolarHBondContact CZ-ND2 3.31Å; N276-N278 PolarHBondContact O-N 2.77Å |
| 277 | S | 33.4 | Very low | 42.5 | Very low | 83 Ų | 83 | 87 Ų | 87 | 58% | 0.58 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -1.3 | -172.6 | 46.1 | 0 | 0 | 0 | 0 | 116.7 | ||
| 278 | N | 33.1 | Very low | 42.6 | Very low | 108 Ų | 108 | 81.8 Ų | 81.8 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.2 | -3.1 | -172.8 | -87.4 | -28.4 | 0 | 0 | 0 | 118.5 | N276 | N276-N278 PolarHBondContact O-N 2.77Š|
| 279 | K | 33.5 | Very low | 43.6 | Very low | 174 Ų | 174 | 81.4 Ų | 81.4 | 76% | 0.757 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.3 | -7.5 | -169 | -70.5 | -170.5 | 179.5 | 177.2 | 0 | 120.2 | N282 | K279-N282 PolarHBondContact O-ND2 2.84Å; K279-N282 VanDerWaalsContact O-ND2 3.16Å |
| 280 | K | 33.7 | Very low | 44.9 | Very low | 139 Ų | 139 | 77.8 Ų | 77.8 | 60% | 0.604 | 38% | 0.383 | S | S | * | . | trans | -128.5 | 9.3 | -166.1 | -86.8 | -174.1 | 173.2 | -178.4 | 0 | 118.5 | N282 | K280-N282 PolarHBondContact O-N 2.85Š| ||
| 281 | L | 34.9 | Very low | 46 | Very low | 94 Ų | 94 | 70.5 Ų | 70.5 | 49% | 0.492 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -78.5 | 40.1 | 157.9 | -142.7 | 101 | 0 | 0 | 0 | 110.9 | I249 L285 | I249-L281 HydrophobicContact CD1-CB 4.12Å; I249-L281 HydrophobicContact CD1-CD2 4.5Å; I249-L281 HydrophobicContact CG1-CB 4.24Å; I249-L281 HydrophobicContact CG1-CD2 3.69Å; I249-L281 HydrophobicContact CG1-CG 4.35Å; L281-L285 HydrophobicContact CD1-CD1 4.26Å; L281-L285 HydrophobicContact CG-CD1 4.48Å |
| 282 | N | 42.6 | Very low | 47.1 | Very low | 38 Ų | 38 | 64.3 Ų | 64.3 | 20% | 0.203 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -81.6 | 157.8 | 177.1 | -94.1 | -24.9 | 0 | 0 | 0 | 108.8 | K279 K280 E284 L285 | K279-N282 PolarHBondContact O-ND2 2.84Å; K279-N282 VanDerWaalsContact O-ND2 3.16Å; K280-N282 PolarHBondContact O-N 2.85Å; N282-E284 HydrophobicContact CB-CB 4Å; N282-E284 PolarHBondContact O-N 3.5Å; N282-L285 PolarHBondContact O-N 2.83Å |
| 283 | F | 44.5 | Very low | 48.7 | Very low | 22 Ų | 22 | 66.4 Ų | 66.4 | 10% | 0.096 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -13.4 | 167.5 | -100.3 | -104.2 | 0 | 0 | 0 | 114.3 | W182 M234 L285 F286 V287 F298 W299 L302 I312 | W182-F283 AromaticContact NE1-CG 3.86Å; M234-F283 HydrophobicContact CE-CE2 4.41Å; F283-L285 PolarHBondContact O-N 2.87Å; F283-F286 PolarHBondContact O-N 3.21Å; F283-F286 VanDerWaalsContact O-N 3.11Å; F283-V287 PolarHBondContact O-N 2.8Å; F283-F298 AromaticContact CD1-CE1 3.97Å; F283-F298 HydrophobicContact CD1-CE1 3.97Å; F283-F298 HydrophobicContact CD1-CZ 4.44Å; F283-F298 AromaticContact CE1-CE1 3.36Å; F283-F298 HydrophobicContact CE1-CE1 3.36Å; F283-F298 AromaticContact CE1-CZ 3.6Å; F283-F298 HydrophobicContact CE1-CZ 3.6Å; F283-F298 HydrophobicContact CZ-CE1 4.1Å; F283-F298 AromaticContact CZ-CZ 3.85Å; F283-F298 HydrophobicContact CZ-CZ 3.85Å; F283-W299 HydrophobicContact CE1-CZ2 4.48Å; F283-L302 HydrophobicContact CZ-CD2 4.28Å; F283-I312 HydrophobicContact CE2-CD1 3.6Å; F283-I312 HydrophobicContact CZ-CD1 3.67Å; F283-I312 HydrophobicContact CZ-CG1 4.36Å |
| 284 | E | 47.3 | Very low | 50.5 | Low | 47 Ų | 47 | 61.6 Ų | 61.6 | 22% | 0.22 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -40.1 | -44.5 | 160.1 | -112.2 | -176.8 | 174.6 | 0 | 0 | 111.9 | F178 Y181 N282 F286 G288 | F178-E284 HydrophobicContact CD1-CG 4.39Å; F178-E284 HydrophobicContact CE1-CG 4.36Å; F178-E284 WeakPolarHBondContact CE1-OE1 3.46Å; Y181-E284 HydrophobicContact CD2-CG 4.08Å; Y181-E284 HydrophobicContact CE1-CG 4.26Å; Y181-E284 HydrophobicContact CE2-CG 3.62Å; N282-E284 HydrophobicContact CB-CB 4Å; N282-E284 PolarHBondContact O-N 3.5Å; E284-F286 PolarHBondContact O-N 3.08Å; E284-G288 VanDerWaalsContact O-CA 3.23Å; E284-G288 WeakPolarHBondContact O-CA 2.94Å; E284-G288 PolarHBondContact O-N 2.93Å |
| 285 | L | 46.5 | Very low | 52.3 | Low | 57 Ų | 57 | 54.2 Ų | 54.2 | 30% | 0.298 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.4 | -45.2 | -178.4 | -118.1 | 150.9 | 0 | 0 | 0 | 110.6 | L281 N282 F283 T289 | L281-L285 HydrophobicContact CD1-CD1 4.26Å; L281-L285 HydrophobicContact CG-CD1 4.48Å; N282-L285 PolarHBondContact O-N 2.83Å; F283-L285 PolarHBondContact O-N 2.87Å; L285-T289 HydrophobicContact CD2-CG2 4.35Å; L285-T289 WeakPolarHBondContact O-CB 3.46Å; L285-T289 WeakPolarHBondContact O-CG2 3.39Å; L285-T289 PolarHBondContact O-N 2.94Å; L285-T289 PolarHBondContact O-OG1 3.08Å |
| 286 | F | 60.9 | Low | 54.3 | Low | 14 Ų | 14 | 47.1 Ų | 47.1 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -80.8 | -55.2 | -179.7 | -58.6 | -64.9 | 0 | 0 | 0 | 112.3 | F283 E284 G288 T289 V290 F298 I312 F315 A316 I319 | F283-F286 PolarHBondContact O-N 3.21Å; F283-F286 VanDerWaalsContact O-N 3.11Å; E284-F286 PolarHBondContact O-N 3.08Å; F286-G288 PolarHBondContact O-N 2.72Å; F286-T289 PolarHBondContact O-N 3.45Å; F286-V290 WeakPolarHBondContact O-CG2 3.48Å; F286-V290 PolarHBondContact O-N 2.9Å; F286-F298 HydrophobicContact CB-CD1 4.3Å; F286-F298 HydrophobicContact CB-CE1 4.24Å; F286-F298 HydrophobicContact CD2-CE1 4.1Å; F286-F298 HydrophobicContact CD2-CZ 4.12Å; F286-F298 HydrophobicContact CE2-CZ 4.44Å; F286-F298 HydrophobicContact CG-CE1 4.29Å; F286-I312 HydrophobicContact CE2-CG2 3.66Å; F286-I312 HydrophobicContact CZ-CG2 4.32Å; F286-F315 AromaticContact CD1-CD1 3.39Å; F286-F315 HydrophobicContact CD1-CD1 3.39Å; F286-F315 AromaticContact CD1-CE1 3.68Å; F286-F315 HydrophobicContact CD1-CE1 3.68Å; F286-F315 HydrophobicContact CE1-CB 4.39Å; F286-F315 AromaticContact CE1-CD1 3.37Å; F286-F315 HydrophobicContact CE1-CD1 3.37Å; F286-F315 HydrophobicContact CE1-CE1 4.08Å; F286-F315 HydrophobicContact CE1-CG 4.31Å; F286-F315 HydrophobicContact CG-CD1 4.17Å; F286-F315 HydrophobicContact CG-CE1 4.45Å; F286-F315 HydrophobicContact CZ-CD1 4.15Å; F286-A316 HydrophobicContact CE1-CB 4.38Å; F286-A316 HydrophobicContact CZ-CB 3.82Å; F286-I319 HydrophobicContact CD1-CD1 3.64Å; F286-I319 HydrophobicContact CE1-CD1 3.65Å |
| 287 | V | 54.8 | Low | 56.4 | Low | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.3 | -37.7 | -174.5 | -178.8 | 0 | 0 | 0 | 0 | 111 | Y181 L184 P185 F283 L295 | Y181-V287 HydrophobicContact CD1-CB 4.11Å; Y181-V287 HydrophobicContact CD1-CG1 3.85Å; Y181-V287 HydrophobicContact CG-CG1 4.42Å; Y181-V287 WeakPolarHBondContact O-CG1 3.32Å; Y181-V287 WeakPolarHBondContact O-CG2 3.45Å; L184-V287 HydrophobicContact CB-CG1 4.47Å; L184-V287 HydrophobicContact CD2-CG1 3.75Å; P185-V287 HydrophobicContact CG-CG2 4.46Å; F283-V287 PolarHBondContact O-N 2.8Å; V287-L295 HydrophobicContact CB-CD1 4.29Å; V287-L295 HydrophobicContact CB-CD2 4.38Å; V287-L295 HydrophobicContact CG1-CD2 4Å; V287-L295 HydrophobicContact CG2-CD1 3.89Å |
| 288 | G | 59.8 | Low | 58.9 | Low | 3 Ų | 3 | 39.5 Ų | 39.5 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -89.9 | -13 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | K146 E284 F286 | K146-G288 WeakPolarHBondContact CD-O 3.35Å; K146-G288 WeakPolarHBondContact CE-O 3.41Å; K146-G288 PolarHBondContact NZ-O 2.56Å; E284-G288 VanDerWaalsContact O-CA 3.23Å; E284-G288 WeakPolarHBondContact O-CA 2.94Å; E284-G288 PolarHBondContact O-N 2.93Å; F286-G288 PolarHBondContact O-N 2.72Å |
| 289 | T | 68.1 | Low | 61.4 | Low | 6 Ų | 6 | 34.4 Ų | 34.4 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -114.9 | -31.1 | -178.1 | 76.8 | 0 | 0 | 0 | 0 | 114.4 | L285 F286 F340 P344 N345 | L285-T289 HydrophobicContact CD2-CG2 4.35Å; L285-T289 WeakPolarHBondContact O-CB 3.46Å; L285-T289 WeakPolarHBondContact O-CG2 3.39Å; L285-T289 PolarHBondContact O-N 2.94Å; L285-T289 PolarHBondContact O-OG1 3.08Å; F286-T289 PolarHBondContact O-N 3.45Å; T289-F340 VanDerWaalsContact CG2-O 3.3Å; T289-F340 WeakPolarHBondContact CG2-O 3.47Å; T289-P344 CarbonylContact O-C 3.45Å; T289-P344 WeakPolarHBondContact OG1-CB 3.35Å; T289-P344 WeakPolarHBondContact OG1-CG 3.28Å; T289-N345 WeakPolarHBondContact O-CA 2.94Å; T289-N345 WeakPolarHBondContact O-CB 3.37Å; T289-N345 PolarHBondContact O-N 3.25Å |
| 290 | V | 73.6 | Confident | 63.8 | Low | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -89.5 | 159.8 | -178.7 | -64.5 | 0 | 0 | 0 | 0 | 112.5 | F286 A294 L295 F315 I319 P344 | F286-V290 WeakPolarHBondContact O-CG2 3.48Å; F286-V290 PolarHBondContact O-N 2.9Å; V290-A294 HydrophobicContact CB-CB 4.12Å; V290-A294 HydrophobicContact CG2-CB 4.36Å; V290-L295 HydrophobicContact CG2-CB 3.91Å; V290-L295 HydrophobicContact CG2-CD1 4.39Å; V290-F315 HydrophobicContact CG1-CE1 4.39Å; V290-I319 HydrophobicContact CG1-CD1 3.47Å; V290-I319 VanDerWaalsContact CG1-CD1 3.47Å; V290-I319 HydrophobicContact CG1-CG1 4.38Å; V290-P344 HydrophobicContact CG1-CB 3.78Å |
| 291 | N | 71 | Confident | 66.4 | Low | 9 Ų | 9 | 19.5 Ų | 19.5 | 5% | 0.048 | 10% | 0.102 | C | C | . | . | trans | -66.8 | 161.2 | 174.4 | 72.8 | 58.1 | 0 | 0 | 0 | 111.7 | I293 A294 L295 N345 L347 T349 | N291-I293 VanDerWaalsContact C-N 3.27Å; N291-I293 PolarHBondContact O-N 3.29Å; N291-I293 PolarHBondContact OD1-N 2.89Å; N291-I293 VanDerWaalsContact OD1-N 3.12Å; N291-A294 PolarHBondContact O-N 2.8Å; N291-A294 WeakPolarHBondContact OD1-CB 3.3Å; N291-A294 PolarHBondContact OD1-N 3.43Å; N291-L295 WeakPolarHBondContact O-CB 3.43Å; N291-L295 PolarHBondContact O-N 2.93Å; N291-N345 WeakPolarHBondContact CB-OD1 3.37Å; N291-L347 PolarHBondContact ND2-O 3.18Å; N291-T349 PolarHBondContact ND2-OG1 3.45Å; N291-T349 PolarHBondContact OD1-OG1 3.39Å | ||
| 292 | S | 69.3 | Low | 68.8 | Low | 17 Ų | 17 | 15 Ų | 15 | 12% | 0.119 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.2 | -34.1 | -173.3 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | Q150 L296 | Q150-S292 PolarHBondContact NE2-OG 2.92Å; S292-L296 VanDerWaalsContact O-CG 3.3Å; S292-L296 WeakPolarHBondContact O-CG 3.35Å; S292-L296 PolarHBondContact O-N 2.84Å |
| 293 | I | 69 | Low | 70.9 | Confident | 76 Ų | 76 | 13.3 Ų | 13.3 | 39% | 0.39 | 7% | 0.069 | S | C | . | . | H | α-helix | trans | -74.9 | -43.5 | -178.8 | -54.8 | 176.3 | 0 | 0 | 0 | 110.2 | I60 N291 L295 L296 F297 T349 | I60-I293 HydrophobicContact CD1-CG2 3.6Å; N291-I293 VanDerWaalsContact C-N 3.27Å; N291-I293 PolarHBondContact O-N 3.29Å; N291-I293 PolarHBondContact OD1-N 2.89Å; N291-I293 VanDerWaalsContact OD1-N 3.12Å; I293-L295 VanDerWaalsContact C-N 3.3Å; I293-L295 PolarHBondContact O-N 3.48Å; I293-L296 PolarHBondContact O-N 3.29Å; I293-F297 PolarHBondContact O-N 2.94Å; I293-T349 HydrophobicContact CB-CG2 4.26Å; I293-T349 HydrophobicContact CG2-CG2 3.8Å |
| 294 | A | 72.5 | Confident | 72.8 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.8 | -37.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V290 N291 F297 F298 T349 I352 | V290-A294 HydrophobicContact CB-CB 4.12Å; V290-A294 HydrophobicContact CG2-CB 4.36Å; N291-A294 PolarHBondContact O-N 2.8Å; N291-A294 WeakPolarHBondContact OD1-CB 3.3Å; N291-A294 PolarHBondContact OD1-N 3.43Å; A294-F297 WeakPolarHBondContact O-CB 3.35Å; A294-F297 PolarHBondContact O-N 3.29Å; A294-F298 PolarHBondContact O-N 3.45Å; A294-T349 HydrophobicContact CB-CG2 4.29Å; A294-I352 HydrophobicContact CB-CD1 3.68Å |
| 295 | L | 78 | Confident | 74.5 | Confident | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.01 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.5 | -46.8 | 173.1 | -179.9 | 58.2 | 0 | 0 | 0 | 111.7 | F147 P185 V287 V290 N291 I293 F297 F298 W299 | F147-L295 HydrophobicContact CZ-CD2 4.47Å; P185-L295 HydrophobicContact CG-CD1 4.38Å; P185-L295 HydrophobicContact CG-CD2 4.06Å; P185-L295 HydrophobicContact CG-CG 4.21Å; V287-L295 HydrophobicContact CB-CD1 4.29Å; V287-L295 HydrophobicContact CB-CD2 4.38Å; V287-L295 HydrophobicContact CG1-CD2 4Å; V287-L295 HydrophobicContact CG2-CD1 3.89Å; V290-L295 HydrophobicContact CG2-CB 3.91Å; V290-L295 HydrophobicContact CG2-CD1 4.39Å; N291-L295 WeakPolarHBondContact O-CB 3.43Å; N291-L295 PolarHBondContact O-N 2.93Å; I293-L295 VanDerWaalsContact C-N 3.3Å; I293-L295 PolarHBondContact O-N 3.48Å; L295-F297 VanDerWaalsContact C-N 3.33Å; L295-F297 PolarHBondContact O-N 3.49Å; L295-F298 HydrophobicContact CD1-CD1 4.45Å; L295-F298 PolarHBondContact O-N 3.05Å; L295-W299 VanDerWaalsContact O-CD1 3.27Å; L295-W299 PolarHBondContact O-N 2.87Å; L295-W299 VanDerWaalsContact O-N 3.08Å |
| 296 | L | 77.6 | Confident | 76.1 | Confident | 23 Ų | 23 | 8.8 Ų | 8.8 | 12% | 0.12 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64.4 | -38.1 | 176.4 | -73.5 | 169.9 | 0 | 0 | 0 | 112 | W70 F188 A189 S292 I293 W299 D300 | W70-L296 HydrophobicContact CH2-CD2 4.07Å; W70-L296 HydrophobicContact CZ2-CD2 4.49Å; F188-L296 HydrophobicContact CB-CD2 4.47Å; A189-L296 HydrophobicContact CB-CD2 4.31Å; S292-L296 VanDerWaalsContact O-CG 3.3Å; S292-L296 WeakPolarHBondContact O-CG 3.35Å; S292-L296 PolarHBondContact O-N 2.84Å; I293-L296 PolarHBondContact O-N 3.29Å; L296-W299 PolarHBondContact O-N 2.89Å; L296-D300 WeakPolarHBondContact O-CB 3.28Å; L296-D300 PolarHBondContact O-N 3.11Å |
| 297 | F | 80.2 | Confident | 77 | Confident | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -58.9 | -47.6 | 173.6 | 172.4 | -106.9 | 0 | 0 | 0 | 111.8 | I60 I293 A294 L295 W299 D300 Q301 F315 I353 W356 | I60-F297 HydrophobicContact CG1-CB 4.04Å; I60-F297 HydrophobicContact CG1-CD2 3.88Å; I60-F297 HydrophobicContact CG1-CG 4.34Å; I293-F297 PolarHBondContact O-N 2.94Å; A294-F297 WeakPolarHBondContact O-CB 3.35Å; A294-F297 PolarHBondContact O-N 3.29Å; L295-F297 VanDerWaalsContact C-N 3.33Å; L295-F297 PolarHBondContact O-N 3.49Å; F297-W299 VanDerWaalsContact C-N 3.33Å; F297-W299 PolarHBondContact O-N 3.34Å; F297-D300 WeakPolarHBondContact O-CB 3.28Å; F297-D300 PolarHBondContact O-N 3.08Å; F297-Q301 HydrophobicContact CD2-CG 4.19Å; F297-Q301 HydrophobicContact CE1-CG 4.08Å; F297-Q301 HydrophobicContact CE2-CG 3.67Å; F297-Q301 HydrophobicContact CZ-CG 3.61Å; F297-Q301 WeakPolarHBondContact O-CG 3.24Å; F297-Q301 PolarHBondContact O-N 2.98Å; F297-F315 AromaticContact CD1-CE2 3.86Å; F297-F315 HydrophobicContact CD1-CE2 3.86Å; F297-F315 HydrophobicContact CE1-CE2 4.13Å; F297-I353 HydrophobicContact CD1-CG1 3.88Å; F297-I353 HydrophobicContact CD2-CD1 4.12Å; F297-I353 HydrophobicContact CD2-CG1 3.8Å; F297-I353 HydrophobicContact CE1-CG1 3.88Å; F297-I353 HydrophobicContact CE2-CB 4.48Å; F297-I353 HydrophobicContact CE2-CD1 4.41Å; F297-I353 HydrophobicContact CE2-CG1 3.79Å; F297-I353 HydrophobicContact CE2-CG2 4.17Å; F297-I353 HydrophobicContact CG-CD1 4.32Å; F297-I353 HydrophobicContact CG-CG1 3.84Å; F297-I353 HydrophobicContact CZ-CB 4.27Å; F297-I353 HydrophobicContact CZ-CG1 3.82Å; F297-I353 HydrophobicContact CZ-CG2 4.15Å; F297-W356 HydrophobicContact CE1-CB 4.18Å; F297-W356 HydrophobicContact CE1-CD2 4.15Å; F297-W356 HydrophobicContact CE1-CE3 4.28Å; F297-W356 HydrophobicContact CE1-CG 4.12Å; F297-W356 HydrophobicContact CZ-CD2 4.06Å; F297-W356 AromaticContact CZ-CE3 3.71Å; F297-W356 HydrophobicContact CZ-CE3 3.71Å; F297-W356 HydrophobicContact CZ-CG 4.43Å; F297-W356 HydrophobicContact CZ-CZ3 4.36Å |
| 298 | F | 85.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -58.2 | -45.9 | 176.8 | 164.2 | -118.4 | 0 | 0 | 0 | 111.9 | F283 F286 A294 L295 Q301 L302 I311 I312 F315 | F283-F298 AromaticContact CD1-CE1 3.97Å; F283-F298 HydrophobicContact CD1-CE1 3.97Å; F283-F298 HydrophobicContact CD1-CZ 4.44Å; F283-F298 AromaticContact CE1-CE1 3.36Å; F283-F298 HydrophobicContact CE1-CE1 3.36Å; F283-F298 AromaticContact CE1-CZ 3.6Å; F283-F298 HydrophobicContact CE1-CZ 3.6Å; F283-F298 HydrophobicContact CZ-CE1 4.1Å; F283-F298 AromaticContact CZ-CZ 3.85Å; F283-F298 HydrophobicContact CZ-CZ 3.85Å; F286-F298 HydrophobicContact CB-CD1 4.3Å; F286-F298 HydrophobicContact CB-CE1 4.24Å; F286-F298 HydrophobicContact CD2-CE1 4.1Å; F286-F298 HydrophobicContact CD2-CZ 4.12Å; F286-F298 HydrophobicContact CE2-CZ 4.44Å; F286-F298 HydrophobicContact CG-CE1 4.29Å; A294-F298 PolarHBondContact O-N 3.45Å; L295-F298 HydrophobicContact CD1-CD1 4.45Å; L295-F298 PolarHBondContact O-N 3.05Å; F298-Q301 PolarHBondContact O-N 3.46Å; F298-L302 WeakPolarHBondContact O-CB 3.06Å; F298-L302 PolarHBondContact O-N 3.07Å; F298-I311 HydrophobicContact CD2-CG2 4.49Å; F298-I311 HydrophobicContact CE2-CG2 4.46Å; F298-I312 HydrophobicContact CE2-CB 4.49Å; F298-I312 HydrophobicContact CE2-CG1 4.1Å; F298-I312 HydrophobicContact CZ-CG1 4.03Å; F298-I312 HydrophobicContact CZ-CG2 4.48Å; F298-F315 HydrophobicContact CB-CD1 3.91Å; F298-F315 HydrophobicContact CB-CD2 4.2Å; F298-F315 HydrophobicContact CB-CE1 3.69Å; F298-F315 HydrophobicContact CB-CE2 3.97Å; F298-F315 HydrophobicContact CB-CG 4.19Å; F298-F315 HydrophobicContact CB-CZ 3.73Å; F298-F315 HydrophobicContact CD2-CB 3.84Å; F298-F315 AromaticContact CD2-CD1 3.68Å; F298-F315 HydrophobicContact CD2-CD1 3.68Å; F298-F315 HydrophobicContact CD2-CD2 4.25Å; F298-F315 HydrophobicContact CD2-CE1 4.34Å; F298-F315 AromaticContact CD2-CG 3.66Å; F298-F315 HydrophobicContact CD2-CG 3.66Å; F298-F315 HydrophobicContact CE2-CB 4.18Å; F298-F315 HydrophobicContact CE2-CD1 4.37Å; F298-F315 HydrophobicContact CE2-CG 4.41Å; F298-F315 AromaticContact CG-CD1 3.81Å; F298-F315 HydrophobicContact CG-CD1 3.81Å; F298-F315 HydrophobicContact CG-CE1 4.03Å; F298-F315 HydrophobicContact CG-CG 4.16Å |
| 299 | W | 86.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.7 | -41.8 | 176.5 | -83 | 64.8 | 0 | 0 | 0 | 112.3 | W70 W182 P185 I186 F230 F283 L295 L296 F297 Q301 L302 F303 | W70-W299 HydrophobicContact CH2-CB 3.62Å; W70-W299 HydrophobicContact CH2-CD2 4.39Å; W70-W299 HydrophobicContact CH2-CE3 4.04Å; W70-W299 HydrophobicContact CH2-CG 4.25Å; W70-W299 HydrophobicContact CZ2-CB 3.67Å; W70-W299 AromaticContact CZ3-CE3 3.94Å; W70-W299 HydrophobicContact CZ3-CE3 3.94Å; W182-W299 HydrophobicContact CB-CH2 4.38Å; W182-W299 WeakPolarHBondContact O-CH2 3.33Å; P185-W299 HydrophobicContact CB-CD2 3.43Å; P185-W299 VanDerWaalsContact CB-CD2 3.43Å; P185-W299 HydrophobicContact CB-CE3 3.77Å; P185-W299 HydrophobicContact CB-CG 3.81Å; P185-W299 HydrophobicContact CB-CH2 4.28Å; P185-W299 HydrophobicContact CB-CZ2 3.95Å; P185-W299 HydrophobicContact CB-CZ3 4.2Å; P185-W299 HydrophobicContact CG-CD2 3.9Å; P185-W299 HydrophobicContact CG-CG 4.29Å; P185-W299 HydrophobicContact CG-CH2 4.36Å; P185-W299 HydrophobicContact CG-CZ2 3.66Å; I186-W299 HydrophobicContact CD1-CZ3 4.37Å; I186-W299 HydrophobicContact CG1-CH2 4.35Å; I186-W299 HydrophobicContact CG1-CZ3 3.85Å; F230-W299 HydrophobicContact CD1-CH2 4.38Å; F230-W299 HydrophobicContact CD2-CH2 4.46Å; F230-W299 HydrophobicContact CD2-CZ3 4.26Å; F230-W299 AromaticContact CE1-CH2 3.92Å; F230-W299 HydrophobicContact CE1-CH2 3.92Å; F230-W299 HydrophobicContact CE2-CH2 4.01Å; F230-W299 AromaticContact CE2-CZ3 3.96Å; F230-W299 HydrophobicContact CE2-CZ3 3.96Å; F230-W299 AromaticContact CZ-CH2 3.72Å; F230-W299 HydrophobicContact CZ-CH2 3.72Å; F230-W299 HydrophobicContact CZ-CZ2 4.25Å; F230-W299 HydrophobicContact CZ-CZ3 4.15Å; F283-W299 HydrophobicContact CE1-CZ2 4.48Å; L295-W299 VanDerWaalsContact O-CD1 3.27Å; L295-W299 PolarHBondContact O-N 2.87Å; L295-W299 VanDerWaalsContact O-N 3.08Å; L296-W299 PolarHBondContact O-N 2.89Å; F297-W299 VanDerWaalsContact C-N 3.33Å; F297-W299 PolarHBondContact O-N 3.34Å; W299-Q301 VanDerWaalsContact C-N 3.3Å; W299-Q301 PolarHBondContact O-N 3.27Å; W299-L302 PolarHBondContact O-N 3.39Å; W299-F303 HydrophobicContact CD2-CE2 4.4Å; W299-F303 HydrophobicContact CE3-CD2 4.31Å; W299-F303 AromaticContact CE3-CE2 3.4Å; W299-F303 HydrophobicContact CE3-CE2 3.4Å; W299-F303 VanDerWaalsContact CE3-CE2 3.4Å; W299-F303 HydrophobicContact CE3-CZ 4.08Å; W299-F303 AromaticContact CZ3-CE2 3.78Å; W299-F303 HydrophobicContact CZ3-CE2 3.78Å; W299-F303 HydrophobicContact CZ3-CZ 4.15Å; W299-F303 WeakPolarHBondContact O-CD2 3.42Å; W299-F303 PolarHBondContact O-N 3.5Å |
| 300 | D | 84.5 | Confident | 78.8 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -55.3 | -47.3 | 173.9 | -73.9 | -23.5 | 0 | 0 | 0 | 111 | I61 R66 W70 L296 F297 F303 L304 | I61-D300 HydrophobicContact CB-CB 4.25Å; I61-D300 HydrophobicContact CD1-CB 3.63Å; I61-D300 WeakPolarHBondContact CD1-OD1 3.14Å; I61-D300 HydrophobicContact CG1-CB 3.72Å; I61-D300 PolarHBondContact N-OD2 3.33Å; R66-D300 WeakPolarHBondContact CD-OD1 3.43Å; R66-D300 IonicContact CZ-OD1 2.76Å; R66-D300 IonicContact CZ-OD2 3.01Å; R66-D300 IonicContact NE-OD1 2.73Å; R66-D300 PolarHBondContact NE-OD1 3.39Å; R66-D300 IonicContact NE-OD2 3.08Å; R66-D300 PolarHBondContact NE-OD2 2.93Å; R66-D300 VanDerWaalsContact NE-OD2 3.12Å; R66-D300 IonicContact NH2-OD1 3.85Å; R66-D300 IonicContact NH2-OD2 2.84Å; R66-D300 PolarHBondContact NH2-OD2 3.36Å; W70-D300 WeakPolarHBondContact CZ2-OD1 3.5Å; W70-D300 PolarHBondContact NE1-OD1 3.45Å; L296-D300 WeakPolarHBondContact O-CB 3.28Å; L296-D300 PolarHBondContact O-N 3.11Å; F297-D300 WeakPolarHBondContact O-CB 3.28Å; F297-D300 PolarHBondContact O-N 3.08Å; D300-F303 PolarHBondContact O-N 3.41Å; D300-L304 WeakPolarHBondContact O-CB 3.47Å; D300-L304 VanDerWaalsContact O-CG 3.22Å; D300-L304 WeakPolarHBondContact O-CG 3.46Å; D300-L304 PolarHBondContact O-N 3.5Å |
| 301 | Q | 87.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66.9 | -38 | 177.9 | -63.3 | -41.6 | -57.5 | 0 | 0 | 112.7 | T59 F297 F298 W299 F303 N305 I311 W356 | T59-Q301 PolarHBondContact O-NE2 2.85Å; F297-Q301 HydrophobicContact CD2-CG 4.19Å; F297-Q301 HydrophobicContact CE1-CG 4.08Å; F297-Q301 HydrophobicContact CE2-CG 3.67Å; F297-Q301 HydrophobicContact CZ-CG 3.61Å; F297-Q301 WeakPolarHBondContact O-CG 3.24Å; F297-Q301 PolarHBondContact O-N 2.98Å; F298-Q301 PolarHBondContact O-N 3.46Å; W299-Q301 VanDerWaalsContact C-N 3.3Å; W299-Q301 PolarHBondContact O-N 3.27Å; Q301-F303 VanDerWaalsContact C-N 3.35Å; Q301-F303 PolarHBondContact O-N 2.91Å; Q301-N305 WeakPolarHBondContact O-CB 3.39Å; Q301-N305 PolarHBondContact O-N 3.48Å; Q301-N305 PolarHBondContact O-ND2 3.26Å; Q301-I311 HydrophobicContact CB-CG2 4.08Å; Q301-I311 WeakPolarHBondContact O-CD1 3.37Å; Q301-W356 HydrophobicContact CB-CH2 4.08Å; Q301-W356 HydrophobicContact CB-CZ2 3.96Å; Q301-W356 HydrophobicContact CG-CE3 4.35Å; Q301-W356 HydrophobicContact CG-CH2 3.79Å; Q301-W356 HydrophobicContact CG-CZ2 4Å; Q301-W356 HydrophobicContact CG-CZ3 3.99Å |
| 302 | L | 85.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61 | -44.1 | 176 | -173.5 | 68 | 0 | 0 | 0 | 111.4 | F230 F283 F298 W299 F307 I312 | F230-L302 HydrophobicContact CE2-CD2 4.09Å; F230-L302 HydrophobicContact CZ-CD2 4.22Å; F283-L302 HydrophobicContact CZ-CD2 4.28Å; F298-L302 WeakPolarHBondContact O-CB 3.06Å; F298-L302 PolarHBondContact O-N 3.07Å; W299-L302 PolarHBondContact O-N 3.39Å; L302-F307 HydrophobicContact CD2-CD1 4.29Å; L302-F307 HydrophobicContact CG-CD1 4.05Å; L302-F307 WeakPolarHBondContact O-CA 2.98Å; L302-F307 PolarHBondContact O-N 2.95Å; L302-I312 HydrophobicContact CD1-CD1 4.48Å; L302-I312 HydrophobicContact CD1-CG1 4.23Å |
| 303 | F | 86.8 | Confident | 79.3 | Confident | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.009 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -71 | -42.3 | -179.8 | -83.5 | -114 | 0 | 0 | 0 | 112.6 | W70 A73 L74 F230 W299 D300 Q301 N305 S306 F307 | W70-F303 HydrophobicContact CB-CD1 3.71Å; W70-F303 HydrophobicContact CB-CE1 3.57Å; W70-F303 HydrophobicContact CB-CZ 4.45Å; W70-F303 AromaticContact CD1-CD1 3.96Å; W70-F303 HydrophobicContact CD2-CD1 4.2Å; W70-F303 HydrophobicContact CD2-CE1 4.05Å; W70-F303 HydrophobicContact CD2-CE2 4.43Å; W70-F303 HydrophobicContact CD2-CG 4.4Å; W70-F303 HydrophobicContact CD2-CZ 4.17Å; W70-F303 HydrophobicContact CE3-CE1 4.25Å; W70-F303 HydrophobicContact CE3-CE2 4.42Å; W70-F303 HydrophobicContact CE3-CZ 4.03Å; W70-F303 AromaticContact CG-CD1 3.68Å; W70-F303 HydrophobicContact CG-CD1 3.68Å; W70-F303 AromaticContact CG-CE1 3.77Å; W70-F303 HydrophobicContact CG-CE1 3.77Å; W70-F303 HydrophobicContact CG-CG 4.14Å; W70-F303 HydrophobicContact CG-CZ 4.38Å; W70-F303 WeakPolarHBondContact O-CE1 3.45Å; A73-F303 HydrophobicContact CB-CD1 3.93Å; L74-F303 HydrophobicContact CD1-CE1 3.98Å; L74-F303 HydrophobicContact CD1-CZ 4.32Å; L74-F303 HydrophobicContact CD2-CE1 4.12Å; L74-F303 HydrophobicContact CD2-CZ 4.24Å; L74-F303 HydrophobicContact CG-CE1 3.7Å; L74-F303 HydrophobicContact CG-CZ 4.24Å; F230-F303 HydrophobicContact CD2-CE2 4.43Å; F230-F303 HydrophobicContact CD2-CZ 4.37Å; F230-F303 HydrophobicContact CE2-CE2 4.27Å; W299-F303 HydrophobicContact CD2-CE2 4.4Å; W299-F303 HydrophobicContact CE3-CD2 4.31Å; W299-F303 AromaticContact CE3-CE2 3.4Å; W299-F303 HydrophobicContact CE3-CE2 3.4Å; W299-F303 VanDerWaalsContact CE3-CE2 3.4Å; W299-F303 HydrophobicContact CE3-CZ 4.08Å; W299-F303 AromaticContact CZ3-CE2 3.78Å; W299-F303 HydrophobicContact CZ3-CE2 3.78Å; W299-F303 HydrophobicContact CZ3-CZ 4.15Å; W299-F303 WeakPolarHBondContact O-CD2 3.42Å; W299-F303 PolarHBondContact O-N 3.5Å; D300-F303 PolarHBondContact O-N 3.41Å; Q301-F303 VanDerWaalsContact C-N 3.35Å; Q301-F303 PolarHBondContact O-N 2.91Å; F303-N305 PolarHBondContact O-N 2.83Å; F303-S306 PolarHBondContact O-N 2.67Å; F303-F307 HydrophobicContact CD1-CE1 4.23Å; F303-F307 AromaticContact CD1-CZ 3.92Å; F303-F307 HydrophobicContact CD1-CZ 3.92Å; F303-F307 AromaticContact CD2-CE1 3.91Å; F303-F307 HydrophobicContact CD2-CE1 3.91Å; F303-F307 HydrophobicContact CD2-CZ 4.4Å; F303-F307 HydrophobicContact CE1-CE1 4.22Å; F303-F307 HydrophobicContact CE1-CZ 4.03Å; F303-F307 AromaticContact CE2-CE1 3.83Å; F303-F307 HydrophobicContact CE2-CE1 3.83Å; F303-F307 HydrophobicContact CE2-CZ 4.43Å; F303-F307 HydrophobicContact CG-CE1 4.13Å; F303-F307 HydrophobicContact CG-CZ 4.17Å; F303-F307 HydrophobicContact CZ-CE1 4.03Å; F303-F307 HydrophobicContact CZ-CZ 4.29Å |
| 304 | L | 83.4 | Confident | 79.6 | Confident | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.01 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -67.8 | -20.7 | -180 | -69 | 170.5 | 0 | 0 | 0 | 113.5 | V53 L56 K57 I61 L69 D300 | V53-L304 HydrophobicContact CB-CD2 4.28Å; V53-L304 HydrophobicContact CG1-CB 4.36Å; V53-L304 HydrophobicContact CG1-CD2 3.79Å; V53-L304 HydrophobicContact CG2-CD2 4.05Å; L56-L304 HydrophobicContact CB-CD1 3.81Å; L56-L304 HydrophobicContact CB-CD2 4.3Å; K57-L304 WeakPolarHBondContact CE-O 3.49Å; K57-L304 HydrophobicContact CG-CB 4.18Å; I61-L304 HydrophobicContact CD1-CD1 3.67Å; I61-L304 HydrophobicContact CD1-CD2 3.88Å; I61-L304 HydrophobicContact CD1-CG 3.69Å; I61-L304 HydrophobicContact CG1-CD1 3.87Å; I61-L304 HydrophobicContact CG1-CG 4.44Å; L69-L304 HydrophobicContact CD1-CD2 4.39Å; D300-L304 WeakPolarHBondContact O-CB 3.47Å; D300-L304 VanDerWaalsContact O-CG 3.22Å; D300-L304 WeakPolarHBondContact O-CG 3.46Å; D300-L304 PolarHBondContact O-N 3.5Å |
| 305 | N | 83.7 | Confident | 80 | Confident | 15 Ų | 15 | 11 Ų | 11 | 8% | 0.08 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 33.8 | -178 | -69.1 | -70.3 | 0 | 0 | 0 | 112.7 | K57 Q301 F303 F307 N308 I311 | K57-N305 WeakPolarHBondContact CD-OD1 3.24Å; K57-N305 WeakPolarHBondContact CE-OD1 3.5Å; K57-N305 PolarHBondContact NZ-OD1 2.92Å; Q301-N305 WeakPolarHBondContact O-CB 3.39Å; Q301-N305 PolarHBondContact O-N 3.48Å; Q301-N305 PolarHBondContact O-ND2 3.26Å; F303-N305 PolarHBondContact O-N 2.83Å; N305-F307 PolarHBondContact O-N 3.44Å; N305-F307 VanDerWaalsContact O-N 3.15Å; N305-N308 WeakPolarHBondContact O-CB 3.48Å; N305-N308 PolarHBondContact O-N 3.49Å; N305-N308 VanDerWaalsContact O-N 3.08Å; N305-I311 HydrophobicContact CB-CD1 3.07Å; N305-I311 HydrophobicContact CB-CG1 4.44Å; N305-I311 VanDerWaalsContact CG-CD1 3.44Å; N305-I311 WeakPolarHBondContact ND2-CD1 3.46Å |
| 306 | S | 80.4 | Confident | 79.7 | Confident | 14 Ų | 14 | 11.9 Ų | 11.9 | 10% | 0.098 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 36.5 | 169.6 | -35.3 | 0 | 0 | 0 | 0 | 113.2 | I89 K237 F303 N308 | I89-S306 WeakPolarHBondContact CG1-OG 3.02Å; I89-S306 PolarHBondContact N-OG 3.43Å; K237-S306 PolarHBondContact NZ-O 3.04Å; F303-S306 PolarHBondContact O-N 2.67Å; S306-N308 VanDerWaalsContact C-N 3.27Å; S306-N308 PolarHBondContact O-N 2.82Å |
| 307 | F | 80.2 | Confident | 79.4 | Confident | 1 Ų | 1 | 11.6 Ų | 11.6 | 0% | 0.004 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 38.1 | -179.3 | -52.1 | -89.2 | 0 | 0 | 0 | 112.7 | A73 L74 V77 F230 I233 K237 Y238 L302 F303 N305 C309 | A73-F307 HydrophobicContact CB-CE2 4.35Å; A73-F307 HydrophobicContact CB-CZ 4.43Å; L74-F307 HydrophobicContact CD2-CE1 4.35Å; L74-F307 HydrophobicContact CD2-CZ 3.9Å; L74-F307 HydrophobicContact CG-CZ 4.45Å; V77-F307 HydrophobicContact CB-CD2 4.28Å; V77-F307 HydrophobicContact CB-CE2 4.09Å; V77-F307 HydrophobicContact CG1-CD2 4.05Å; V77-F307 HydrophobicContact CG1-CE2 4.32Å; V77-F307 HydrophobicContact CG2-CD2 4.04Å; V77-F307 HydrophobicContact CG2-CE2 3.9Å; F230-F307 HydrophobicContact CD2-CD1 4.33Å; F230-F307 AromaticContact CD2-CE1 3.82Å; F230-F307 HydrophobicContact CD2-CE1 3.82Å; F230-F307 AromaticContact CE2-CD1 4Å; F230-F307 HydrophobicContact CE2-CD1 4Å; F230-F307 AromaticContact CE2-CE1 3.83Å; F230-F307 HydrophobicContact CE2-CE1 3.83Å; I233-F307 HydrophobicContact CD1-CE2 4.28Å; I233-F307 HydrophobicContact CD1-CZ 4.43Å; I233-F307 HydrophobicContact CG2-CB 4.29Å; I233-F307 HydrophobicContact CG2-CD1 4.44Å; I233-F307 HydrophobicContact CG2-CD2 3.92Å; I233-F307 HydrophobicContact CG2-CE2 4.38Å; I233-F307 HydrophobicContact CG2-CG 3.96Å; K237-F307 PolarHBondContact NZ-O 2.83Å; Y238-F307 PolarHBondContact OH-O 3.43Å; Y238-F307 VanDerWaalsContact OH-O 3.1Å; L302-F307 HydrophobicContact CD2-CD1 4.29Å; L302-F307 HydrophobicContact CG-CD1 4.05Å; L302-F307 WeakPolarHBondContact O-CA 2.98Å; L302-F307 PolarHBondContact O-N 2.95Å; F303-F307 HydrophobicContact CD1-CE1 4.23Å; F303-F307 AromaticContact CD1-CZ 3.92Å; F303-F307 HydrophobicContact CD1-CZ 3.92Å; F303-F307 AromaticContact CD2-CE1 3.91Å; F303-F307 HydrophobicContact CD2-CE1 3.91Å; F303-F307 HydrophobicContact CD2-CZ 4.4Å; F303-F307 HydrophobicContact CE1-CE1 4.22Å; F303-F307 HydrophobicContact CE1-CZ 4.03Å; F303-F307 AromaticContact CE2-CE1 3.83Å; F303-F307 HydrophobicContact CE2-CE1 3.83Å; F303-F307 HydrophobicContact CE2-CZ 4.43Å; F303-F307 HydrophobicContact CG-CE1 4.13Å; F303-F307 HydrophobicContact CG-CZ 4.17Å; F303-F307 HydrophobicContact CZ-CE1 4.03Å; F303-F307 HydrophobicContact CZ-CZ 4.29Å; N305-F307 PolarHBondContact O-N 3.44Å; N305-F307 VanDerWaalsContact O-N 3.15Å; F307-C309 PolarHBondContact O-N 2.94Å |
| 308 | N | 77 | Confident | 79.3 | Confident | 54 Ų | 54 | 11.6 Ų | 11.6 | 29% | 0.289 | 7% | 0.065 | S | C | . | . | trans | -65.3 | 124.8 | 175.3 | -171.2 | -1.9 | 0 | 0 | 0 | 110.6 | N305 S306 D310 I311 | N305-N308 WeakPolarHBondContact O-CB 3.48Å; N305-N308 PolarHBondContact O-N 3.49Å; N305-N308 VanDerWaalsContact O-N 3.08Å; S306-N308 VanDerWaalsContact C-N 3.27Å; S306-N308 PolarHBondContact O-N 2.82Å; N308-D310 VanDerWaalsContact C-N 3.26Å; N308-D310 PolarHBondContact ND2-OD2 3.32Å; N308-D310 PolarHBondContact O-N 3.38Å; N308-D310 PolarHBondContact OD1-N 2.9Å; N308-D310 PolarHBondContact OD1-OD2 2.97Å; N308-I311 HydrophobicContact CB-CD1 4.17Å; N308-I311 HydrophobicContact CB-CG1 4.43Å; N308-I311 WeakPolarHBondContact O-CB 3.44Å; N308-I311 PolarHBondContact O-N 3.34Å | ||
| 309 | C | 69.4 | Low | 78.9 | Confident | 10 Ų | 10 | 12 Ų | 12 | 7% | 0.068 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -24.1 | 177.4 | -101.2 | 0 | 0 | 0 | 0 | 113.3 | Y238 I248 F307 I311 I312 I313 | Y238-C309 HydrophobicContact CE1-CB 3.64Å; Y238-C309 WeakPolarHBondContact CE1-SG 3.49Å; Y238-C309 HydrophobicContact CE2-CB 4.4Å; Y238-C309 WeakPolarHBondContact CE2-SG 3.41Å; Y238-C309 VanDerWaalsContact CZ-CB 3.5Å; Y238-C309 WeakPolarHBondContact OH-CB 3.35Å; Y238-C309 PolarHBondContact OH-N 2.67Å; Y238-C309 PolarHBondContact OH-SG 3.3Å; I248-C309 HydrophobicContact CD1-CB 4.32Å; F307-C309 PolarHBondContact O-N 2.94Å; C309-I311 PolarHBondContact O-N 3.31Å; C309-I311 VanDerWaalsContact O-N 3.09Å; C309-I312 WeakPolarHBondContact O-CB 3.42Å; C309-I312 PolarHBondContact O-N 3.36Å; C309-I313 PolarHBondContact O-N 2.86Å |
| 310 | D | 73.5 | Confident | 78.2 | Confident | 54 Ų | 54 | 13.6 Ų | 13.6 | 29% | 0.289 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -56.6 | -28.3 | 174.9 | -66.1 | -39.4 | 0 | 0 | 0 | 110.4 | K251 N308 I312 I313 E314 | K251-D310 IonicContact NZ-OD1 2.99Å; K251-D310 PolarHBondContact NZ-OD1 3.02Å; N308-D310 VanDerWaalsContact C-N 3.26Å; N308-D310 PolarHBondContact ND2-OD2 3.32Å; N308-D310 PolarHBondContact O-N 3.38Å; N308-D310 PolarHBondContact OD1-N 2.9Å; N308-D310 PolarHBondContact OD1-OD2 2.97Å; D310-I312 VanDerWaalsContact C-N 3.34Å; D310-I312 PolarHBondContact O-N 3Å; D310-I313 CarbonylContact O-C 3.54Å; D310-I313 WeakPolarHBondContact O-CB 3.46Å; D310-I313 PolarHBondContact O-N 3Å; D310-E314 WeakPolarHBondContact O-CB 3.49Å; D310-E314 WeakPolarHBondContact O-CG 3.19Å; D310-E314 PolarHBondContact O-N 3.25Å |
| 311 | I | 80.1 | Confident | 77.6 | Confident | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -68.7 | -33.4 | 176.5 | -63.7 | 170.3 | 0 | 0 | 0 | 112.5 | F298 Q301 N305 N308 C309 I313 F315 W356 | F298-I311 HydrophobicContact CD2-CG2 4.49Å; F298-I311 HydrophobicContact CE2-CG2 4.46Å; Q301-I311 HydrophobicContact CB-CG2 4.08Å; Q301-I311 WeakPolarHBondContact O-CD1 3.37Å; N305-I311 HydrophobicContact CB-CD1 3.07Å; N305-I311 HydrophobicContact CB-CG1 4.44Å; N305-I311 VanDerWaalsContact CG-CD1 3.44Å; N305-I311 WeakPolarHBondContact ND2-CD1 3.46Å; N308-I311 HydrophobicContact CB-CD1 4.17Å; N308-I311 HydrophobicContact CB-CG1 4.43Å; N308-I311 WeakPolarHBondContact O-CB 3.44Å; N308-I311 PolarHBondContact O-N 3.34Å; C309-I311 PolarHBondContact O-N 3.31Å; C309-I311 VanDerWaalsContact O-N 3.09Å; I311-I313 VanDerWaalsContact C-N 3.31Å; I311-F315 WeakPolarHBondContact O-CB 3.4Å; I311-F315 PolarHBondContact O-N 2.83Å; I311-W356 HydrophobicContact CG1-CZ2 4.28Å; I311-W356 HydrophobicContact CG2-CZ2 4.05Å |
| 312 | I | 74.3 | Confident | 77.1 | Confident | 19 Ų | 19 | 14 Ų | 14 | 10% | 0.097 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.7 | -41.9 | 174.9 | -53 | -178.3 | 0 | 0 | 0 | 109.1 | M234 F283 F286 F298 L302 C309 D310 A316 | M234-I312 HydrophobicContact CE-CD1 4.47Å; F283-I312 HydrophobicContact CE2-CD1 3.6Å; F283-I312 HydrophobicContact CZ-CD1 3.67Å; F283-I312 HydrophobicContact CZ-CG1 4.36Å; F286-I312 HydrophobicContact CE2-CG2 3.66Å; F286-I312 HydrophobicContact CZ-CG2 4.32Å; F298-I312 HydrophobicContact CE2-CB 4.49Å; F298-I312 HydrophobicContact CE2-CG1 4.1Å; F298-I312 HydrophobicContact CZ-CG1 4.03Å; F298-I312 HydrophobicContact CZ-CG2 4.48Å; L302-I312 HydrophobicContact CD1-CD1 4.48Å; L302-I312 HydrophobicContact CD1-CG1 4.23Å; C309-I312 WeakPolarHBondContact O-CB 3.42Å; C309-I312 PolarHBondContact O-N 3.36Å; D310-I312 VanDerWaalsContact C-N 3.34Å; D310-I312 PolarHBondContact O-N 3Å; I312-A316 WeakPolarHBondContact O-CB 2.85Å; I312-A316 PolarHBondContact O-N 2.74Å |
| 313 | I | 69.8 | Low | 76.6 | Confident | 6 Ų | 6 | 14 Ų | 14 | 3% | 0.031 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.4 | -53.9 | 175.2 | -61.7 | 177.2 | 0 | 0 | 0 | 109.9 | I248 K251 T252 C309 D310 I311 F315 A316 E317 | I248-I313 HydrophobicContact CB-CD1 4.46Å; I248-I313 HydrophobicContact CG1-CD1 4.38Å; I248-I313 HydrophobicContact CG2-CD1 4.04Å; I248-I313 HydrophobicContact CG2-CG1 3.74Å; K251-I313 HydrophobicContact CB-CD1 4.45Å; K251-I313 HydrophobicContact CD-CD1 4.1Å; T252-I313 HydrophobicContact CG2-CG2 4.08Å; T252-I313 WeakPolarHBondContact OG1-CG1 3.32Å; T252-I313 WeakPolarHBondContact OG1-CG2 3.4Å; C309-I313 PolarHBondContact O-N 2.86Å; D310-I313 CarbonylContact O-C 3.54Å; D310-I313 WeakPolarHBondContact O-CB 3.46Å; D310-I313 PolarHBondContact O-N 3Å; I311-I313 VanDerWaalsContact C-N 3.31Å; I313-F315 VanDerWaalsContact C-N 3.26Å; I313-F315 PolarHBondContact O-N 3.46Å; I313-A316 CarbonylContact O-C 3.51Å; I313-A316 WeakPolarHBondContact O-CA 3.43Å; I313-A316 WeakPolarHBondContact O-CB 3.37Å; I313-A316 PolarHBondContact O-N 3.11Å; I313-E317 HydrophobicContact CG2-CG 4.24Å; I313-E317 WeakPolarHBondContact CG2-OE1 3.46Å; I313-E317 WeakPolarHBondContact O-CB 3.36Å; I313-E317 VanDerWaalsContact O-CG 3.28Å; I313-E317 WeakPolarHBondContact O-CG 3.31Å; I313-E317 PolarHBondContact O-N 3.04Å |
| 314 | E | 76.1 | Confident | 75.9 | Confident | 27 Ų | 27 | 14 Ų | 14 | 13% | 0.126 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -57.4 | -38.2 | 179 | -69.1 | 162.6 | -173.7 | 0 | 0 | 111.9 | D310 T318 W356 I359 H360 | D310-E314 WeakPolarHBondContact O-CB 3.49Å; D310-E314 WeakPolarHBondContact O-CG 3.19Å; D310-E314 PolarHBondContact O-N 3.25Å; E314-T318 WeakPolarHBondContact O-CB 3.37Å; E314-T318 PolarHBondContact O-N 2.77Å; E314-T318 PolarHBondContact O-OG1 3.3Å; E314-W356 PolarHBondContact OE2-NE1 2.83Å; E314-I359 HydrophobicContact CB-CG2 4.01Å; E314-I359 HydrophobicContact CG-CG2 3.99Å; E314-H360 IonicContact OE1-CE1 3.54Å; E314-H360 IonicContact OE1-ND1 3.57Å; E314-H360 PolarHBondContact OE1-ND1 3.43Å; E314-H360 VanDerWaalsContact OE1-ND1 3.08Å; E314-H360 IonicContact OE2-CE1 3.74Å; E314-H360 IonicContact OE2-CG 3.66Å; E314-H360 IonicContact OE2-ND1 3.23Å; E314-H360 PolarHBondContact OE2-ND1 2.91Å |
| 315 | F | 80.3 | Confident | 75.3 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -74 | -35.7 | 177.4 | -160.4 | -105.2 | 0 | 0 | 0 | 111.8 | F286 V290 F297 F298 I311 I313 T318 I319 I352 W356 | F286-F315 AromaticContact CD1-CD1 3.39Å; F286-F315 HydrophobicContact CD1-CD1 3.39Å; F286-F315 AromaticContact CD1-CE1 3.68Å; F286-F315 HydrophobicContact CD1-CE1 3.68Å; F286-F315 HydrophobicContact CE1-CB 4.39Å; F286-F315 AromaticContact CE1-CD1 3.37Å; F286-F315 HydrophobicContact CE1-CD1 3.37Å; F286-F315 HydrophobicContact CE1-CE1 4.08Å; F286-F315 HydrophobicContact CE1-CG 4.31Å; F286-F315 HydrophobicContact CG-CD1 4.17Å; F286-F315 HydrophobicContact CG-CE1 4.45Å; F286-F315 HydrophobicContact CZ-CD1 4.15Å; V290-F315 HydrophobicContact CG1-CE1 4.39Å; F297-F315 AromaticContact CD1-CE2 3.86Å; F297-F315 HydrophobicContact CD1-CE2 3.86Å; F297-F315 HydrophobicContact CE1-CE2 4.13Å; F298-F315 HydrophobicContact CB-CD1 3.91Å; F298-F315 HydrophobicContact CB-CD2 4.2Å; F298-F315 HydrophobicContact CB-CE1 3.69Å; F298-F315 HydrophobicContact CB-CE2 3.97Å; F298-F315 HydrophobicContact CB-CG 4.19Å; F298-F315 HydrophobicContact CB-CZ 3.73Å; F298-F315 HydrophobicContact CD2-CB 3.84Å; F298-F315 AromaticContact CD2-CD1 3.68Å; F298-F315 HydrophobicContact CD2-CD1 3.68Å; F298-F315 HydrophobicContact CD2-CD2 4.25Å; F298-F315 HydrophobicContact CD2-CE1 4.34Å; F298-F315 AromaticContact CD2-CG 3.66Å; F298-F315 HydrophobicContact CD2-CG 3.66Å; F298-F315 HydrophobicContact CE2-CB 4.18Å; F298-F315 HydrophobicContact CE2-CD1 4.37Å; F298-F315 HydrophobicContact CE2-CG 4.41Å; F298-F315 AromaticContact CG-CD1 3.81Å; F298-F315 HydrophobicContact CG-CD1 3.81Å; F298-F315 HydrophobicContact CG-CE1 4.03Å; F298-F315 HydrophobicContact CG-CG 4.16Å; I311-F315 WeakPolarHBondContact O-CB 3.4Å; I311-F315 PolarHBondContact O-N 2.83Å; I313-F315 VanDerWaalsContact C-N 3.26Å; I313-F315 PolarHBondContact O-N 3.46Å; F315-T318 WeakPolarHBondContact O-CB 3.48Å; F315-T318 PolarHBondContact O-N 3.32Å; F315-I319 HydrophobicContact CD1-CD1 4.22Å; F315-I319 HydrophobicContact CE1-CD1 3.95Å; F315-I319 WeakPolarHBondContact O-CG1 3.45Å; F315-I319 PolarHBondContact O-N 2.86Å; F315-I319 VanDerWaalsContact O-N 3.13Å; F315-I352 HydrophobicContact CD2-CG2 4.43Å; F315-I352 HydrophobicContact CE2-CG2 3.45Å; F315-I352 VanDerWaalsContact CE2-CG2 3.45Å; F315-I352 HydrophobicContact CZ-CG2 3.81Å; F315-W356 AromaticContact CD2-CD1 3.87Å; F315-W356 HydrophobicContact CD2-CG 4.41Å |
| 316 | A | 72.1 | Confident | 74.9 | Confident | 22 Ų | 22 | 13.9 Ų | 13.9 | 18% | 0.182 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.3 | -48.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F286 I312 I313 T318 I319 L320 | F286-A316 HydrophobicContact CE1-CB 4.38Å; F286-A316 HydrophobicContact CZ-CB 3.82Å; I312-A316 WeakPolarHBondContact O-CB 2.85Å; I312-A316 PolarHBondContact O-N 2.74Å; I313-A316 CarbonylContact O-C 3.51Å; I313-A316 WeakPolarHBondContact O-CA 3.43Å; I313-A316 WeakPolarHBondContact O-CB 3.37Å; I313-A316 PolarHBondContact O-N 3.11Å; A316-T318 VanDerWaalsContact C-N 3.29Å; A316-T318 PolarHBondContact O-N 3.15Å; A316-I319 PolarHBondContact O-N 3.34Å; A316-L320 WeakPolarHBondContact O-CG 3.15Å; A316-L320 PolarHBondContact O-N 3.06Å |
| 317 | E | 70.6 | Confident | 74.4 | Confident | 16 Ų | 16 | 13.2 Ų | 13.2 | 8% | 0.075 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -56.2 | -44.8 | 175.7 | -72.5 | -179.3 | 179.5 | 0 | 0 | 110.7 | N255 I256 I313 I319 L320 V321 I359 | N255-E317 WeakPolarHBondContact CB-OE1 3.31Å; N255-E317 PolarHBondContact ND2-OE1 3.19Å; I256-E317 HydrophobicContact CD1-CG 3.71Å; I256-E317 HydrophobicContact CG1-CG 3.64Å; I313-E317 HydrophobicContact CG2-CG 4.24Å; I313-E317 WeakPolarHBondContact CG2-OE1 3.46Å; I313-E317 WeakPolarHBondContact O-CB 3.36Å; I313-E317 VanDerWaalsContact O-CG 3.28Å; I313-E317 WeakPolarHBondContact O-CG 3.31Å; I313-E317 PolarHBondContact O-N 3.04Å; E317-I319 PolarHBondContact O-N 3.05Å; E317-L320 PolarHBondContact O-N 3.47Å; E317-V321 WeakPolarHBondContact O-CB 3.08Å; E317-V321 VanDerWaalsContact O-CG2 3.23Å; E317-V321 WeakPolarHBondContact O-CG2 3.34Å; E317-V321 PolarHBondContact O-N 3.49Å; E317-I359 HydrophobicContact CB-CD1 4.14Å |
| 318 | T | 78.1 | Confident | 73.9 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -56.1 | -48.7 | 176.7 | -62 | 0 | 0 | 0 | 0 | 111.8 | E314 F315 A316 L322 I352 T355 W356 I359 | E314-T318 WeakPolarHBondContact O-CB 3.37Å; E314-T318 PolarHBondContact O-N 2.77Å; E314-T318 PolarHBondContact O-OG1 3.3Å; F315-T318 WeakPolarHBondContact O-CB 3.48Å; F315-T318 PolarHBondContact O-N 3.32Å; A316-T318 VanDerWaalsContact C-N 3.29Å; A316-T318 PolarHBondContact O-N 3.15Å; T318-L322 HydrophobicContact CG2-CD1 4.13Å; T318-L322 WeakPolarHBondContact O-CB 3.29Å; T318-L322 WeakPolarHBondContact O-CG 3.3Å; T318-L322 PolarHBondContact O-N 2.97Å; T318-L322 VanDerWaalsContact O-N 3.09Å; T318-I352 HydrophobicContact CG2-CG2 4.06Å; T318-I352 WeakPolarHBondContact CG2-O 3.34Å; T318-T355 HydrophobicContact CG2-CG2 3.97Å; T318-W356 HydrophobicContact CG2-CB 4.1Å; T318-W356 VanDerWaalsContact OG1-CA 3.32Å; T318-W356 WeakPolarHBondContact OG1-CA 3.42Å; T318-I359 WeakPolarHBondContact OG1-CD1 3.35Å |
| 319 | I | 77.5 | Confident | 73.6 | Confident | 8 Ų | 8 | 19 Ų | 19 | 4% | 0.041 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.4 | -44.9 | 179.6 | -66.2 | 176.7 | 0 | 0 | 0 | 110.2 | F286 V290 F315 A316 E317 V321 L322 L323 P344 L347 | F286-I319 HydrophobicContact CD1-CD1 3.64Å; F286-I319 HydrophobicContact CE1-CD1 3.65Å; V290-I319 HydrophobicContact CG1-CD1 3.47Å; V290-I319 VanDerWaalsContact CG1-CD1 3.47Å; V290-I319 HydrophobicContact CG1-CG1 4.38Å; F315-I319 HydrophobicContact CD1-CD1 4.22Å; F315-I319 HydrophobicContact CE1-CD1 3.95Å; F315-I319 WeakPolarHBondContact O-CG1 3.45Å; F315-I319 PolarHBondContact O-N 2.86Å; F315-I319 VanDerWaalsContact O-N 3.13Å; A316-I319 PolarHBondContact O-N 3.34Å; E317-I319 PolarHBondContact O-N 3.05Å; I319-V321 PolarHBondContact O-N 3.38Å; I319-L322 PolarHBondContact O-N 3.49Å; I319-L323 HydrophobicContact CG2-CD1 3.84Å; I319-L323 HydrophobicContact CG2-CG 4.26Å; I319-L323 WeakPolarHBondContact O-CB 3.04Å; I319-L323 VanDerWaalsContact O-CG 3.29Å; I319-L323 WeakPolarHBondContact O-CG 3.41Å; I319-L323 PolarHBondContact O-N 3.4Å; I319-P344 HydrophobicContact CD1-CB 4.47Å; I319-P344 HydrophobicContact CG2-CB 3.97Å; I319-P344 HydrophobicContact CG2-CG 3.75Å; I319-L347 HydrophobicContact CG2-CD1 4.39Å |
| 320 | L | 72 | Confident | 73.6 | Confident | 35 Ų | 35 | 18.7 Ų | 18.7 | 18% | 0.183 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | -179.6 | -72.6 | 169.9 | 0 | 0 | 0 | 112.6 | I256 I265 A316 E317 L323 G324 I327 F340 | I256-L320 HydrophobicContact CD1-CD1 3.59Å; I265-L320 HydrophobicContact CD1-CD2 4.43Å; A316-L320 WeakPolarHBondContact O-CG 3.15Å; A316-L320 PolarHBondContact O-N 3.06Å; E317-L320 PolarHBondContact O-N 3.47Å; L320-L323 PolarHBondContact O-N 2.98Å; L320-G324 PolarHBondContact O-N 3.26Å; L320-I327 HydrophobicContact CD2-CD1 4.27Å; L320-F340 HydrophobicContact CD2-CE1 3.68Å; L320-F340 HydrophobicContact CD2-CZ 4.23Å |
| 321 | V | 71.9 | Confident | 73.4 | Confident | 7 Ų | 7 | 22.3 Ų | 22.3 | 4% | 0.042 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 175.1 | 168.2 | 0 | 0 | 0 | 0 | 110.6 | L259 E317 I319 L323 G324 T355 L365 | L259-V321 HydrophobicContact CD1-CG2 3.79Å; E317-V321 WeakPolarHBondContact O-CB 3.08Å; E317-V321 VanDerWaalsContact O-CG2 3.23Å; E317-V321 WeakPolarHBondContact O-CG2 3.34Å; E317-V321 PolarHBondContact O-N 3.49Å; I319-V321 PolarHBondContact O-N 3.38Å; V321-L323 VanDerWaalsContact C-N 3.34Å; V321-L323 PolarHBondContact O-N 2.9Å; V321-G324 PolarHBondContact O-N 3.04Å; V321-T355 HydrophobicContact CB-CG2 4.46Å; V321-T355 HydrophobicContact CG1-CG2 4.1Å; V321-L365 HydrophobicContact CG2-CD2 4.41Å |
| 322 | L | 76.9 | Confident | 73 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.7 | -33.5 | 178.9 | -73 | 171.5 | 0 | 0 | 0 | 112.9 | T318 I319 G324 L347 D351 I352 T355 L372 N373 | T318-L322 HydrophobicContact CG2-CD1 4.13Å; T318-L322 WeakPolarHBondContact O-CB 3.29Å; T318-L322 WeakPolarHBondContact O-CG 3.3Å; T318-L322 PolarHBondContact O-N 2.97Å; T318-L322 VanDerWaalsContact O-N 3.09Å; I319-L322 PolarHBondContact O-N 3.49Å; L322-G324 VanDerWaalsContact C-N 3.3Å; L322-L347 HydrophobicContact CB-CD1 3.88Å; L322-L347 HydrophobicContact CB-CD2 3.91Å; L322-L347 HydrophobicContact CD1-CD1 4.08Å; L322-D351 HydrophobicContact CD2-CB 4.23Å; L322-I352 HydrophobicContact CD1-CB 4.34Å; L322-I352 HydrophobicContact CD1-CG1 3.76Å; L322-T355 HydrophobicContact CG-CG2 4.31Å; L322-L372 HydrophobicContact CD2-CB 4.35Å; L322-N373 HydrophobicContact CB-CB 4.35Å; L322-N373 HydrophobicContact CD2-CB 3.75Å; L322-N373 WeakPolarHBondContact O-CB 3.43Å; L322-N373 PolarHBondContact O-ND2 3.33Å |
| 323 | L | 74.4 | Confident | 72.4 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -80.5 | -9.1 | 174.4 | -66.8 | -179.1 | 0 | 0 | 0 | 113.5 | I319 L320 V321 S325 D326 I327 L339 F340 P344 L347 L379 | I319-L323 HydrophobicContact CG2-CD1 3.84Å; I319-L323 HydrophobicContact CG2-CG 4.26Å; I319-L323 WeakPolarHBondContact O-CB 3.04Å; I319-L323 VanDerWaalsContact O-CG 3.29Å; I319-L323 WeakPolarHBondContact O-CG 3.41Å; I319-L323 PolarHBondContact O-N 3.4Å; L320-L323 PolarHBondContact O-N 2.98Å; V321-L323 VanDerWaalsContact C-N 3.34Å; V321-L323 PolarHBondContact O-N 2.9Å; L323-S325 VanDerWaalsContact C-N 3.31Å; L323-S325 PolarHBondContact O-N 3.1Å; L323-D326 PolarHBondContact O-N 3.01Å; L323-I327 HydrophobicContact CB-CD1 3.71Å; L323-I327 HydrophobicContact CB-CG1 4.06Å; L323-I327 WeakPolarHBondContact O-CG1 3.35Å; L323-I327 PolarHBondContact O-N 3.47Å; L323-L339 HydrophobicContact CD2-CD1 4.28Å; L323-F340 HydrophobicContact CD1-CD1 4.21Å; L323-F340 HydrophobicContact CD1-CE1 4.38Å; L323-P344 HydrophobicContact CD1-CG 4.04Å; L323-L347 HydrophobicContact CD2-CD1 4.38Å; L323-L347 HydrophobicContact CD2-CD2 4.36Å; L323-L347 HydrophobicContact CD2-CG 4.48Å; L323-L347 HydrophobicContact CG-CD1 4.48Å; L323-L379 HydrophobicContact CD2-CD1 3.54Å |
| 324 | G | 71.7 | Confident | 72.3 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -53.3 | -43.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L320 V321 L322 D326 I327 L328 | L320-G324 PolarHBondContact O-N 3.26Å; V321-G324 PolarHBondContact O-N 3.04Å; L322-G324 VanDerWaalsContact C-N 3.3Å; G324-D326 VanDerWaalsContact C-N 3.31Å; G324-D326 PolarHBondContact O-N 3.42Å; G324-I327 PolarHBondContact O-N 3.36Å; G324-L328 VanDerWaalsContact O-CG 3.27Å; G324-L328 WeakPolarHBondContact O-CG 3.34Å; G324-L328 PolarHBondContact O-N 2.99Å; G324-L328 VanDerWaalsContact O-N 3.08Å |
| 325 | S | 71.4 | Confident | 72 | Confident | 15 Ų | 15 | 28.4 Ų | 28.4 | 11% | 0.105 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.9 | -38.1 | 177.1 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | L323 Q329 S376 G377 | L323-S325 VanDerWaalsContact C-N 3.31Å; L323-S325 PolarHBondContact O-N 3.1Å; S325-Q329 WeakPolarHBondContact O-CG 3.1Å; S325-S376 WeakPolarHBondContact OG-CA 3.43Å; S325-S376 VanDerWaalsContact OG-CB 3.26Å; S325-S376 WeakPolarHBondContact OG-CB 3.46Å; S325-G377 PolarHBondContact OG-N 2.98Å |
| 326 | D | 74.8 | Confident | 71.4 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -81.7 | -34.9 | -176.9 | -65.9 | -93.1 | 0 | 0 | 0 | 110.8 | L323 G324 L328 Q329 I330 L339 G377 K378 L379 V380 | L323-D326 PolarHBondContact O-N 3.01Å; G324-D326 VanDerWaalsContact C-N 3.31Å; G324-D326 PolarHBondContact O-N 3.42Å; D326-L328 VanDerWaalsContact C-N 3.35Å; D326-Q329 PolarHBondContact O-N 3.2Å; D326-I330 WeakPolarHBondContact O-CG1 3.22Å; D326-L339 HydrophobicContact CB-CD1 4.1Å; D326-L339 HydrophobicContact CB-CD2 3.85Å; D326-G377 VanDerWaalsContact CG-N 3.32Å; D326-G377 VanDerWaalsContact OD1-C 3.27Å; D326-G377 WeakPolarHBondContact OD1-CA 3.36Å; D326-G377 PolarHBondContact OD1-N 2.97Å; D326-G377 VanDerWaalsContact OD1-N 3.1Å; D326-G377 PolarHBondContact OD2-N 3.12Å; D326-K378 PolarHBondContact OD1-N 3.27Å; D326-L379 HydrophobicContact CB-CB 4.29Å; D326-L379 WeakPolarHBondContact OD1-CA 3.28Å; D326-L379 WeakPolarHBondContact OD1-CB 3.32Å; D326-L379 PolarHBondContact OD1-N 3.08Å; D326-V380 HydrophobicContact CB-CG2 3.7Å; D326-V380 WeakPolarHBondContact O-CG2 3.32Å; D326-V380 PolarHBondContact OD1-N 3.16Å |
| 327 | I | 69.9 | Low | 71.2 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 172.9 | -69.8 | 171 | 0 | 0 | 0 | 110.7 | H264 I265 L320 L323 G324 Q329 I330 L339 F340 | H264-I327 PolarHBondContact CD2-O 2.75Å; H264-I327 VanDerWaalsContact CD2-O 3.24Å; H264-I327 PolarHBondContact NE2-O 3.41Å; I265-I327 HydrophobicContact CD1-CD1 4.06Å; I265-I327 HydrophobicContact CD1-CG2 3.94Å; I265-I327 HydrophobicContact CG1-CG2 3.42Å; I265-I327 VanDerWaalsContact CG1-CG2 3.42Å; L320-I327 HydrophobicContact CD2-CD1 4.27Å; L323-I327 HydrophobicContact CB-CD1 3.71Å; L323-I327 HydrophobicContact CB-CG1 4.06Å; L323-I327 WeakPolarHBondContact O-CG1 3.35Å; L323-I327 PolarHBondContact O-N 3.47Å; G324-I327 PolarHBondContact O-N 3.36Å; I327-Q329 PolarHBondContact O-N 3.4Å; I327-I330 PolarHBondContact O-N 3.01Å; I327-I330 VanDerWaalsContact O-N 3.12Å; I327-L339 HydrophobicContact CB-CD2 4.47Å; I327-L339 HydrophobicContact CG1-CD2 3.64Å; I327-F340 HydrophobicContact CD1-CE1 3.92Å; I327-F340 HydrophobicContact CD1-CZ 4.03Å; I327-F340 HydrophobicContact CG1-CZ 4.48Å |
| 328 | L | 69.8 | Low | 71.2 | Confident | 68 Ų | 68 | 32.1 Ų | 32.1 | 36% | 0.356 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.6 | 178.8 | -72 | 169 | 0 | 0 | 0 | 113.5 | C261 H264 G324 D326 | C261-L328 HydrophobicContact CB-CG 4.37Å; H264-L328 HydrophobicContact CB-CD2 3.7Å; G324-L328 VanDerWaalsContact O-CG 3.27Å; G324-L328 WeakPolarHBondContact O-CG 3.34Å; G324-L328 PolarHBondContact O-N 2.99Å; G324-L328 VanDerWaalsContact O-N 3.08Å; D326-L328 VanDerWaalsContact C-N 3.35Å |
| 329 | Q | 71.2 | Confident | 70.8 | Confident | 109 Ų | 109 | 32.2 Ų | 32.2 | 51% | 0.509 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -13.5 | 177 | -68.4 | 176.3 | 6.5 | 0 | 0 | 113.4 | S325 D326 I327 V380 | S325-Q329 WeakPolarHBondContact O-CG 3.1Å; D326-Q329 PolarHBondContact O-N 3.2Å; I327-Q329 PolarHBondContact O-N 3.4Å; Q329-V380 HydrophobicContact CB-CG2 4.38Å |
| 330 | I | 69.8 | Low | 70.6 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | trans | -98 | 126.4 | -173.8 | -67.5 | 171.6 | 0 | 0 | 0 | 110.4 | H264 D326 I327 N332 D335 M336 L339 V380 | H264-I330 PolarHBondContact NE2-O 3.45Å; D326-I330 WeakPolarHBondContact O-CG1 3.22Å; I327-I330 PolarHBondContact O-N 3.01Å; I327-I330 VanDerWaalsContact O-N 3.12Å; I330-N332 WeakPolarHBondContact CG2-O 3.41Å; I330-D335 HydrophobicContact CD1-CB 4.24Å; I330-D335 HydrophobicContact CG1-CB 4.27Å; I330-D335 HydrophobicContact CG2-CB 3.9Å; I330-M336 HydrophobicContact CG2-CB 3.93Å; I330-L339 HydrophobicContact CD1-CB 3.7Å; I330-L339 HydrophobicContact CD1-CD2 3.5Å; I330-L339 HydrophobicContact CD1-CG 4.14Å; I330-V380 HydrophobicContact CD1-CG1 4.47Å; I330-V380 HydrophobicContact CD1-CG2 4.02Å; I330-V380 HydrophobicContact CG1-CG1 4.14Å; I330-V380 HydrophobicContact CG1-CG2 3.98Å | ||
| 331 | N | 69.5 | Low | 70.5 | Confident | 131 Ų | 131 | 35.9 Ų | 35.9 | 70% | 0.701 | 19% | 0.192 | S | C | * | . | trans | -111.7 | -4.5 | 177.7 | -65.7 | -26.4 | 0 | 0 | 0 | 113.8 | ||||
| 332 | N | 70.5 | Confident | 70.5 | Confident | 70 Ų | 70 | 38.7 Ų | 38.7 | 37% | 0.374 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -117.7 | 149.4 | -178.5 | 66.1 | -8.4 | 0 | 0 | 0 | 111.4 | I330 G334 D335 M336 | I330-N332 WeakPolarHBondContact CG2-O 3.41Å; N332-G334 PolarHBondContact O-N 2.97Å; N332-D335 VanDerWaalsContact CG-CG 3.42Å; N332-D335 PolarHBondContact ND2-OD1 3.15Å; N332-D335 PolarHBondContact ND2-OD2 3Å; N332-D335 WeakPolarHBondContact OD1-CB 3.49Å; N332-D335 PolarHBondContact OD1-N 2.85Å; N332-D335 PolarHBondContact OD1-OD1 3.24Å; N332-D335 PolarHBondContact OD1-OD2 3.18Å; N332-M336 PolarHBondContact O-N 3.26Å |
| 333 | L | 62.6 | Low | 70.3 | Confident | 56 Ų | 56 | 38.7 Ų | 38.7 | 29% | 0.293 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.6 | -38.6 | -178.3 | -171.9 | 143.9 | 0 | 0 | 0 | 112.4 | E271 F272 M336 E337 | E271-L333 HydrophobicContact CB-CD1 4.43Å; F272-L333 HydrophobicContact CB-CD1 4.24Å; F272-L333 HydrophobicContact CD2-CD1 3.38Å; F272-L333 HydrophobicContact CD2-CD2 4.03Å; F272-L333 HydrophobicContact CD2-CG 3.59Å; F272-L333 HydrophobicContact CE2-CD1 4.11Å; F272-L333 HydrophobicContact CE2-CD2 3.89Å; F272-L333 HydrophobicContact CE2-CG 3.92Å; F272-L333 HydrophobicContact CG-CD1 4.26Å; L333-M336 PolarHBondContact O-N 2.91Å; L333-E337 HydrophobicContact CD2-CG 4.38Å; L333-E337 PolarHBondContact O-N 3.24Å |
| 334 | G | 67.8 | Low | 70.4 | Confident | 32 Ų | 32 | 38.8 Ų | 38.8 | 33% | 0.33 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.6 | -39.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | N332 M336 Q338 | N332-G334 PolarHBondContact O-N 2.97Å; G334-M336 VanDerWaalsContact C-N 3.34Å; G334-Q338 WeakPolarHBondContact O-CG 3.27Å; G334-Q338 PolarHBondContact O-N 2.59Å; G334-Q338 PolarHBondContact O-NE2 3.44Å |
| 335 | D | 69.7 | Low | 70.6 | Confident | 23 Ų | 23 | 39.9 Ų | 39.9 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -75.1 | -30.6 | 176.1 | -53.9 | -9.6 | 0 | 0 | 0 | 110.2 | I330 N332 Q338 L339 K384 | I330-D335 HydrophobicContact CD1-CB 4.24Å; I330-D335 HydrophobicContact CG1-CB 4.27Å; I330-D335 HydrophobicContact CG2-CB 3.9Å; N332-D335 VanDerWaalsContact CG-CG 3.42Å; N332-D335 PolarHBondContact ND2-OD1 3.15Å; N332-D335 PolarHBondContact ND2-OD2 3Å; N332-D335 WeakPolarHBondContact OD1-CB 3.49Å; N332-D335 PolarHBondContact OD1-N 2.85Å; N332-D335 PolarHBondContact OD1-OD1 3.24Å; N332-D335 PolarHBondContact OD1-OD2 3.18Å; D335-Q338 PolarHBondContact O-N 2.73Å; D335-L339 WeakPolarHBondContact O-CB 3.46Å; D335-L339 PolarHBondContact O-N 3.42Å; D335-K384 VanDerWaalsContact CG-CE 3.46Å; D335-K384 WeakPolarHBondContact OD2-CE 3.38Å; D335-K384 IonicContact OD2-NZ 2.86Å; D335-K384 PolarHBondContact OD2-NZ 2.93Å |
| 336 | M | 67 | Low | 70.5 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.03 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65 | -46.7 | 177.3 | -176.4 | 177.6 | -78.1 | 0 | 0 | 111.2 | I265 V268 Y269 I330 N332 L333 G334 Q338 L339 F340 | I265-M336 HydrophobicContact CG1-CE 4.46Å; V268-M336 HydrophobicContact CB-CE 3.6Å; V268-M336 HydrophobicContact CB-SD 4.33Å; V268-M336 HydrophobicContact CG1-CE 3.53Å; V268-M336 HydrophobicContact CG1-SD 3.9Å; V268-M336 HydrophobicContact CG2-CE 3.92Å; Y269-M336 HydrophobicContact CD2-SD 4.22Å; Y269-M336 HydrophobicContact CE2-SD 4.42Å; I330-M336 HydrophobicContact CG2-CB 3.93Å; N332-M336 PolarHBondContact O-N 3.26Å; L333-M336 PolarHBondContact O-N 2.91Å; G334-M336 VanDerWaalsContact C-N 3.34Å; M336-Q338 VanDerWaalsContact C-N 3.28Å; M336-Q338 PolarHBondContact O-N 2.85Å; M336-L339 PolarHBondContact O-N 2.9Å; M336-F340 HydrophobicContact CG-CD2 3.78Å; M336-F340 HydrophobicContact CG-CE2 3.38Å; M336-F340 HydrophobicContact CG-CZ 4.36Å; M336-F340 WeakPolarHBondContact O-CD2 3.29Å; M336-F340 PolarHBondContact O-N 2.95Å; M336-F340 HydrophobicContact SD-CE2 3.91Å |
| 337 | E | 68.2 | Low | 70.3 | Confident | 81 Ų | 81 | 41.8 Ų | 41.8 | 38% | 0.379 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.5 | -40.3 | 173.9 | -74.6 | -171 | 155.3 | 0 | 0 | 112 | F272 L333 F340 N341 | F272-E337 HydrophobicContact CE2-CG 3.83Å; F272-E337 VanDerWaalsContact CE2-OE1 3.23Å; F272-E337 WeakPolarHBondContact CE2-OE1 3.22Å; F272-E337 HydrophobicContact CZ-CG 4.27Å; F272-E337 WeakPolarHBondContact CZ-OE1 3.25Å; L333-E337 HydrophobicContact CD2-CG 4.38Å; L333-E337 PolarHBondContact O-N 3.24Å; E337-F340 PolarHBondContact O-N 3.25Å; E337-N341 WeakPolarHBondContact O-CB 3.21Å; E337-N341 PolarHBondContact O-N 2.77Å; E337-N341 PolarHBondContact O-ND2 3.44Å; E337-N341 VanDerWaalsContact O-ND2 3.1Å |
| 338 | Q | 69.6 | Low | 70.2 | Confident | 29 Ų | 29 | 43.2 Ų | 43.2 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.4 | -41.4 | 177.8 | -73.4 | 173.7 | 47.2 | 0 | 0 | 112.9 | G334 D335 M336 F340 N341 H342 Q387 | G334-Q338 WeakPolarHBondContact O-CG 3.27Å; G334-Q338 PolarHBondContact O-N 2.59Å; G334-Q338 PolarHBondContact O-NE2 3.44Å; D335-Q338 PolarHBondContact O-N 2.73Å; M336-Q338 VanDerWaalsContact C-N 3.28Å; M336-Q338 PolarHBondContact O-N 2.85Å; Q338-F340 VanDerWaalsContact C-N 3.29Å; Q338-F340 PolarHBondContact O-N 3.04Å; Q338-N341 PolarHBondContact O-N 3.15Å; Q338-H342 WeakPolarHBondContact O-CB 3.23Å; Q338-H342 PolarHBondContact O-N 3.31Å; Q338-Q387 VanDerWaalsContact CD-CD 3.41Å; Q338-Q387 VanDerWaalsContact OE1-CG 3.3Å |
| 339 | L | 71.8 | Confident | 70.1 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 174.8 | -177.7 | 66.9 | 0 | 0 | 0 | 110 | L323 D326 I327 I330 D335 M336 G343 P344 L379 | L323-L339 HydrophobicContact CD2-CD1 4.28Å; D326-L339 HydrophobicContact CB-CD1 4.1Å; D326-L339 HydrophobicContact CB-CD2 3.85Å; I327-L339 HydrophobicContact CB-CD2 4.47Å; I327-L339 HydrophobicContact CG1-CD2 3.64Å; I330-L339 HydrophobicContact CD1-CB 3.7Å; I330-L339 HydrophobicContact CD1-CD2 3.5Å; I330-L339 HydrophobicContact CD1-CG 4.14Å; D335-L339 WeakPolarHBondContact O-CB 3.46Å; D335-L339 PolarHBondContact O-N 3.42Å; M336-L339 PolarHBondContact O-N 2.9Å; L339-G343 WeakPolarHBondContact O-CA 3.33Å; L339-G343 PolarHBondContact O-N 2.62Å; L339-P344 WeakPolarHBondContact O-CD 3.37Å; L339-L379 HydrophobicContact CD1-CB 3.93Å |
| 340 | F | 72.3 | Confident | 69.7 | Low | 39 Ų | 39 | 38.6 Ų | 38.6 | 17% | 0.171 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68 | -36.8 | 176.7 | -72.2 | -52.2 | 0 | 0 | 0 | 113.3 | I265 T289 L320 L323 I327 M336 E337 Q338 P344 | I265-F340 HydrophobicContact CD1-CZ 4.45Å; T289-F340 VanDerWaalsContact CG2-O 3.3Å; T289-F340 WeakPolarHBondContact CG2-O 3.47Å; L320-F340 HydrophobicContact CD2-CE1 3.68Å; L320-F340 HydrophobicContact CD2-CZ 4.23Å; L323-F340 HydrophobicContact CD1-CD1 4.21Å; L323-F340 HydrophobicContact CD1-CE1 4.38Å; I327-F340 HydrophobicContact CD1-CE1 3.92Å; I327-F340 HydrophobicContact CD1-CZ 4.03Å; I327-F340 HydrophobicContact CG1-CZ 4.48Å; M336-F340 HydrophobicContact CG-CD2 3.78Å; M336-F340 HydrophobicContact CG-CE2 3.38Å; M336-F340 HydrophobicContact CG-CZ 4.36Å; M336-F340 WeakPolarHBondContact O-CD2 3.29Å; M336-F340 PolarHBondContact O-N 2.95Å; M336-F340 HydrophobicContact SD-CE2 3.91Å; E337-F340 PolarHBondContact O-N 3.25Å; Q338-F340 VanDerWaalsContact C-N 3.29Å; Q338-F340 PolarHBondContact O-N 3.04Å; F340-P344 WeakPolarHBondContact O-CD 3.41Å |
| 341 | N | 69.5 | Low | 69.8 | Low | 81 Ų | 81 | 38.5 Ų | 38.5 | 43% | 0.433 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -74.2 | -29 | -179.6 | -74.4 | -30 | 0 | 0 | 0 | 114 | E337 Q338 | E337-N341 WeakPolarHBondContact O-CB 3.21Å; E337-N341 PolarHBondContact O-N 2.77Å; E337-N341 PolarHBondContact O-ND2 3.44Å; E337-N341 VanDerWaalsContact O-ND2 3.1Å; Q338-N341 PolarHBondContact O-N 3.15Å |
| 342 | H | 72.2 | Confident | 70.1 | Confident | 67 Ų | 67 | 32.3 Ų | 32.3 | 31% | 0.31 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -125.9 | -26.3 | -170.8 | -62.2 | -44.6 | 0 | 0 | 0 | 115.1 | Q338 N345 T383 | Q338-H342 WeakPolarHBondContact O-CB 3.23Å; Q338-H342 PolarHBondContact O-N 3.31Å; H342-N345 PolarHBondContact O-N 3.17Å; H342-T383 HydrophobicContact CB-CG2 3.88Å |
| 343 | G | 73.1 | Confident | 70.4 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.3 | -50.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L339 N345 K346 L347 | L339-G343 WeakPolarHBondContact O-CA 3.33Å; L339-G343 PolarHBondContact O-N 2.62Å; G343-N345 PolarHBondContact O-N 2.84Å; G343-N345 VanDerWaalsContact O-N 3.1Å; G343-K346 WeakPolarHBondContact O-CB 2.95Å; G343-K346 PolarHBondContact O-N 3.21Å; G343-L347 PolarHBondContact O-N 3.11Å |
| 344 | P | 77.1 | Confident | 70.9 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.2 | -27.5 | -178.1 | -24.6 | 32 | 0 | 0 | 0 | 114.7 | T289 V290 I319 L323 L339 F340 K346 L347 | T289-P344 CarbonylContact O-C 3.45Å; T289-P344 WeakPolarHBondContact OG1-CB 3.35Å; T289-P344 WeakPolarHBondContact OG1-CG 3.28Å; V290-P344 HydrophobicContact CG1-CB 3.78Å; I319-P344 HydrophobicContact CD1-CB 4.47Å; I319-P344 HydrophobicContact CG2-CB 3.97Å; I319-P344 HydrophobicContact CG2-CG 3.75Å; L323-P344 HydrophobicContact CD1-CG 4.04Å; L339-P344 WeakPolarHBondContact O-CD 3.37Å; F340-P344 WeakPolarHBondContact O-CD 3.41Å; P344-K346 PolarHBondContact O-N 2.81Å; P344-L347 PolarHBondContact O-N 2.76Å |
| 345 | N | 73.9 | Confident | 71.3 | Confident | 25 Ų | 25 | 29.9 Ų | 29.9 | 13% | 0.134 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.1 | -27.5 | 179.4 | -161.1 | -25.1 | 0 | 0 | 0 | 111.4 | T289 N291 H342 G343 Q399 | T289-N345 WeakPolarHBondContact O-CA 2.94Å; T289-N345 WeakPolarHBondContact O-CB 3.37Å; T289-N345 PolarHBondContact O-N 3.25Å; N291-N345 WeakPolarHBondContact CB-OD1 3.37Å; H342-N345 PolarHBondContact O-N 3.17Å; G343-N345 PolarHBondContact O-N 2.84Å; G343-N345 VanDerWaalsContact O-N 3.1Å; N345-Q399 PolarHBondContact O-NE2 3.37Å; N345-Q399 PolarHBondContact OD1-NE2 2.9Å |
| 346 | K | 70.5 | Confident | 71.9 | Confident | 54 Ų | 54 | 28.8 Ų | 28.8 | 24% | 0.235 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -87.6 | -17.3 | -177.6 | -59.4 | -56.7 | -175.3 | -179.8 | 0 | 112.9 | G343 P344 L348 L375 L379 I382 | G343-K346 WeakPolarHBondContact O-CB 2.95Å; G343-K346 PolarHBondContact O-N 3.21Å; P344-K346 PolarHBondContact O-N 2.81Å; K346-L348 PolarHBondContact O-N 2.77Å; K346-L375 WeakPolarHBondContact O-CD1 3.18Å; K346-L379 HydrophobicContact CB-CD2 3.59Å; K346-L379 HydrophobicContact CG-CD2 4.46Å; K346-I382 HydrophobicContact CG-CG2 4.47Å |
| 347 | L | 70.3 | Confident | 72.6 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -58.9 | 137.5 | 175.1 | -66.9 | 176.9 | 0 | 0 | 0 | 110.6 | N291 I319 L322 L323 G343 P344 T349 I352 L379 | N291-L347 PolarHBondContact ND2-O 3.18Å; I319-L347 HydrophobicContact CG2-CD1 4.39Å; L322-L347 HydrophobicContact CB-CD1 3.88Å; L322-L347 HydrophobicContact CB-CD2 3.91Å; L322-L347 HydrophobicContact CD1-CD1 4.08Å; L323-L347 HydrophobicContact CD2-CD1 4.38Å; L323-L347 HydrophobicContact CD2-CD2 4.36Å; L323-L347 HydrophobicContact CD2-CG 4.48Å; L323-L347 HydrophobicContact CG-CD1 4.48Å; G343-L347 PolarHBondContact O-N 3.11Å; P344-L347 PolarHBondContact O-N 2.76Å; L347-T349 PolarHBondContact O-N 3.46Å; L347-I352 HydrophobicContact CB-CD1 3.88Å; L347-I352 HydrophobicContact CB-CG1 4.04Å; L347-I352 HydrophobicContact CD1-CG1 4.44Å; L347-L379 HydrophobicContact CD2-CD1 3.87Å |
| 348 | L | 67.1 | Low | 72.8 | Confident | 29 Ų | 29 | 30.2 Ų | 30.2 | 15% | 0.152 | 15% | 0.148 | C | C | . | . | trans | -70.4 | 128.9 | 176 | -63.5 | 175.3 | 0 | 0 | 0 | 109.3 | K346 K350 D351 I352 R374 D400 | K346-L348 PolarHBondContact O-N 2.77Å; L348-K350 PolarHBondContact O-N 3.35Å; L348-K350 VanDerWaalsContact O-N 3.11Å; L348-D351 HydrophobicContact CB-CB 4.35Å; L348-D351 PolarHBondContact O-N 2.88Å; L348-I352 PolarHBondContact O-N 3.02Å; L348-I352 VanDerWaalsContact O-N 3.1Å; L348-R374 HydrophobicContact CD1-CB 4.03Å; L348-R374 HydrophobicContact CD1-CG 4.41Å; L348-D400 HydrophobicContact CD2-CB 3.95Å | ||
| 349 | T | 68.2 | Low | 73.1 | Confident | 25 Ų | 25 | 29.3 Ų | 29.3 | 15% | 0.153 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.1 | -33.4 | -179.4 | -50.2 | 0 | 0 | 0 | 0 | 112.2 | I60 N291 I293 A294 L347 I352 I353 | I60-T349 HydrophobicContact CD1-CG2 4.18Å; N291-T349 PolarHBondContact ND2-OG1 3.45Å; N291-T349 PolarHBondContact OD1-OG1 3.39Å; I293-T349 HydrophobicContact CB-CG2 4.26Å; I293-T349 HydrophobicContact CG2-CG2 3.8Å; A294-T349 HydrophobicContact CB-CG2 4.29Å; L347-T349 PolarHBondContact O-N 3.46Å; T349-I352 PolarHBondContact O-N 2.62Å; T349-I353 HydrophobicContact CG2-CD1 3.93Å; T349-I353 HydrophobicContact CG2-CG1 4.47Å; T349-I353 WeakPolarHBondContact O-CD1 3.39Å; T349-I353 VanDerWaalsContact O-CG1 3.23Å; T349-I353 WeakPolarHBondContact O-CG1 3.16Å; T349-I353 PolarHBondContact O-N 3.37Å |
| 350 | K | 63.9 | Low | 73.5 | Confident | 56 Ų | 56 | 32.3 Ų | 32.3 | 24% | 0.243 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 175.3 | -177.5 | 172.6 | 179.7 | 171.4 | 0 | 112.3 | L348 I352 I353 Q354 V402 | L348-K350 PolarHBondContact O-N 3.35Å; L348-K350 VanDerWaalsContact O-N 3.11Å; K350-I352 VanDerWaalsContact C-N 3.33Å; K350-I353 PolarHBondContact O-N 2.85Å; K350-Q354 HydrophobicContact CG-CG 4.42Å; K350-Q354 WeakPolarHBondContact O-CB 3.4Å; K350-Q354 WeakPolarHBondContact O-CG 3.41Å; K350-Q354 PolarHBondContact O-N 3.35Å; K350-V402 HydrophobicContact CB-CG2 4.32Å; K350-V402 HydrophobicContact CD-CG1 4.35Å; K350-V402 HydrophobicContact CD-CG2 4.32Å |
| 351 | D | 71.4 | Confident | 73.7 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.4 | -37.4 | -178.8 | -60.6 | -9.3 | 0 | 0 | 0 | 110 | L322 L348 T355 L372 R374 | L322-D351 HydrophobicContact CD2-CB 4.23Å; L348-D351 HydrophobicContact CB-CB 4.35Å; L348-D351 PolarHBondContact O-N 2.88Å; D351-T355 VanDerWaalsContact O-CB 3.26Å; D351-T355 WeakPolarHBondContact O-CB 3.33Å; D351-T355 PolarHBondContact O-N 3.42Å; D351-T355 PolarHBondContact O-OG1 2.93Å; D351-L372 VanDerWaalsContact CG-O 3.26Å; D351-R374 IonicContact OD1-NE 2.74Å; D351-R374 PolarHBondContact OD1-NE 3.19Å; D351-R374 WeakPolarHBondContact OD2-CG 3.45Å; D351-R374 PolarHBondContact OD2-N 2.96Å; D351-R374 VanDerWaalsContact OD2-N 3.14Å |
| 352 | I | 75.5 | Confident | 73.5 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.5 | -53.2 | 170.6 | -63.8 | 173.6 | 0 | 0 | 0 | 110.9 | A294 F315 T318 L322 L347 L348 T349 K350 Q354 T355 W356 | A294-I352 HydrophobicContact CB-CD1 3.68Å; F315-I352 HydrophobicContact CD2-CG2 4.43Å; F315-I352 HydrophobicContact CE2-CG2 3.45Å; F315-I352 VanDerWaalsContact CE2-CG2 3.45Å; F315-I352 HydrophobicContact CZ-CG2 3.81Å; T318-I352 HydrophobicContact CG2-CG2 4.06Å; T318-I352 WeakPolarHBondContact CG2-O 3.34Å; L322-I352 HydrophobicContact CD1-CB 4.34Å; L322-I352 HydrophobicContact CD1-CG1 3.76Å; L347-I352 HydrophobicContact CB-CD1 3.88Å; L347-I352 HydrophobicContact CB-CG1 4.04Å; L347-I352 HydrophobicContact CD1-CG1 4.44Å; L348-I352 PolarHBondContact O-N 3.02Å; L348-I352 VanDerWaalsContact O-N 3.1Å; T349-I352 PolarHBondContact O-N 2.62Å; K350-I352 VanDerWaalsContact C-N 3.33Å; I352-Q354 PolarHBondContact O-N 3.41Å; I352-T355 PolarHBondContact O-N 2.79Å; I352-W356 VanDerWaalsContact O-CB 3.31Å; I352-W356 WeakPolarHBondContact O-CB 3.28Å; I352-W356 PolarHBondContact O-N 3.26Å |
| 353 | I | 76.1 | Confident | 72.8 | Confident | 28 Ų | 28 | 39.5 Ų | 39.5 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | -177.5 | -69 | 166.1 | 0 | 0 | 0 | 111.2 | G58 I60 F297 T349 K350 N357 | G58-I353 WeakPolarHBondContact O-CG2 3.1Å; I60-I353 HydrophobicContact CD1-CD1 3.74Å; I60-I353 HydrophobicContact CG1-CD1 3.73Å; F297-I353 HydrophobicContact CD1-CG1 3.88Å; F297-I353 HydrophobicContact CD2-CD1 4.12Å; F297-I353 HydrophobicContact CD2-CG1 3.8Å; F297-I353 HydrophobicContact CE1-CG1 3.88Å; F297-I353 HydrophobicContact CE2-CB 4.48Å; F297-I353 HydrophobicContact CE2-CD1 4.41Å; F297-I353 HydrophobicContact CE2-CG1 3.79Å; F297-I353 HydrophobicContact CE2-CG2 4.17Å; F297-I353 HydrophobicContact CG-CD1 4.32Å; F297-I353 HydrophobicContact CG-CG1 3.84Å; F297-I353 HydrophobicContact CZ-CB 4.27Å; F297-I353 HydrophobicContact CZ-CG1 3.82Å; F297-I353 HydrophobicContact CZ-CG2 4.15Å; T349-I353 HydrophobicContact CG2-CD1 3.93Å; T349-I353 HydrophobicContact CG2-CG1 4.47Å; T349-I353 WeakPolarHBondContact O-CD1 3.39Å; T349-I353 VanDerWaalsContact O-CG1 3.23Å; T349-I353 WeakPolarHBondContact O-CG1 3.16Å; T349-I353 PolarHBondContact O-N 3.37Å; K350-I353 PolarHBondContact O-N 2.85Å; I353-N357 WeakPolarHBondContact CG2-ND2 3.29Å; I353-N357 WeakPolarHBondContact O-CB 3.22Å; I353-N357 VanDerWaalsContact O-CG 3.26Å; I353-N357 PolarHBondContact O-N 2.89Å; I353-N357 PolarHBondContact O-ND2 3.33Å |
| 354 | Q | 73.1 | Confident | 71.7 | Confident | 79 Ų | 79 | 45.4 Ų | 45.4 | 37% | 0.369 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.9 | -45.9 | 179.3 | -74.9 | -176.2 | -30 | 0 | 0 | 111.5 | K350 I352 N357 M358 | K350-Q354 HydrophobicContact CG-CG 4.42Å; K350-Q354 WeakPolarHBondContact O-CB 3.4Å; K350-Q354 WeakPolarHBondContact O-CG 3.41Å; K350-Q354 PolarHBondContact O-N 3.35Å; I352-Q354 PolarHBondContact O-N 3.41Å; Q354-N357 PolarHBondContact O-N 2.9Å; Q354-M358 WeakPolarHBondContact O-CG 3.28Å; Q354-M358 PolarHBondContact O-N 2.9Å; Q354-M358 VanDerWaalsContact O-N 3.14Å |
| 355 | T | 76.1 | Confident | 70.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.4 | -42.9 | 180 | -54 | 0 | 0 | 0 | 0 | 111.3 | T318 V321 L322 D351 I352 N357 M358 I359 | T318-T355 HydrophobicContact CG2-CG2 3.97Å; V321-T355 HydrophobicContact CB-CG2 4.46Å; V321-T355 HydrophobicContact CG1-CG2 4.1Å; L322-T355 HydrophobicContact CG-CG2 4.31Å; D351-T355 VanDerWaalsContact O-CB 3.26Å; D351-T355 WeakPolarHBondContact O-CB 3.33Å; D351-T355 PolarHBondContact O-N 3.42Å; D351-T355 PolarHBondContact O-OG1 2.93Å; I352-T355 PolarHBondContact O-N 2.79Å; T355-N357 PolarHBondContact O-N 3.48Å; T355-M358 WeakPolarHBondContact O-CB 3.26Å; T355-M358 PolarHBondContact O-N 3.45Å; T355-M358 VanDerWaalsContact O-N 3.14Å; T355-I359 HydrophobicContact CG2-CD1 4.03Å; T355-I359 WeakPolarHBondContact O-CG1 3.13Å; T355-I359 PolarHBondContact O-N 3.25Å |
| 356 | W | 82.5 | Confident | 69.6 | Low | 1 Ų | 1 | 51.6 Ų | 51.6 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 175.1 | -176.9 | 81.8 | 0 | 0 | 0 | 111.8 | F297 Q301 I311 E314 F315 T318 I352 M358 I359 H360 | F297-W356 HydrophobicContact CE1-CB 4.18Å; F297-W356 HydrophobicContact CE1-CD2 4.15Å; F297-W356 HydrophobicContact CE1-CE3 4.28Å; F297-W356 HydrophobicContact CE1-CG 4.12Å; F297-W356 HydrophobicContact CZ-CD2 4.06Å; F297-W356 AromaticContact CZ-CE3 3.71Å; F297-W356 HydrophobicContact CZ-CE3 3.71Å; F297-W356 HydrophobicContact CZ-CG 4.43Å; F297-W356 HydrophobicContact CZ-CZ3 4.36Å; Q301-W356 HydrophobicContact CB-CH2 4.08Å; Q301-W356 HydrophobicContact CB-CZ2 3.96Å; Q301-W356 HydrophobicContact CG-CE3 4.35Å; Q301-W356 HydrophobicContact CG-CH2 3.79Å; Q301-W356 HydrophobicContact CG-CZ2 4Å; Q301-W356 HydrophobicContact CG-CZ3 3.99Å; I311-W356 HydrophobicContact CG1-CZ2 4.28Å; I311-W356 HydrophobicContact CG2-CZ2 4.05Å; E314-W356 PolarHBondContact OE2-NE1 2.83Å; F315-W356 AromaticContact CD2-CD1 3.87Å; F315-W356 HydrophobicContact CD2-CG 4.41Å; T318-W356 HydrophobicContact CG2-CB 4.1Å; T318-W356 VanDerWaalsContact OG1-CA 3.32Å; T318-W356 WeakPolarHBondContact OG1-CA 3.42Å; I352-W356 VanDerWaalsContact O-CB 3.31Å; I352-W356 WeakPolarHBondContact O-CB 3.28Å; I352-W356 PolarHBondContact O-N 3.26Å; W356-M358 PolarHBondContact O-N 3.29Å; W356-I359 PolarHBondContact O-N 3.39Å; W356-H360 HydrophobicContact CD2-CB 4.33Å; W356-H360 HydrophobicContact CE3-CB 4.28Å; W356-H360 HydrophobicContact CH2-CB 4.03Å; W356-H360 AromaticContact CH2-CD2 3.72Å; W356-H360 AromaticContact CH2-CG 3.63Å; W356-H360 AromaticContact CH2-ND1 3.92Å; W356-H360 HydrophobicContact CZ2-CB 4.07Å; W356-H360 AromaticContact CZ2-CG 3.8Å; W356-H360 AromaticContact CZ2-ND1 3.75Å; W356-H360 HydrophobicContact CZ3-CB 4.12Å; W356-H360 VanDerWaalsContact O-CB 3.26Å; W356-H360 WeakPolarHBondContact O-CB 3.43Å; W356-H360 PolarHBondContact O-N 3.13Å |
| 357 | N | 81.6 | Confident | 68.8 | Low | 55 Ų | 55 | 52.9 Ų | 52.9 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.4 | -32.1 | 176.8 | -80 | -38.8 | 0 | 0 | 0 | 112.6 | G58 I353 Q354 T355 S361 | G58-N357 WeakPolarHBondContact CA-OD1 3.35Å; G58-N357 PolarHBondContact O-ND2 2.84Å; I353-N357 WeakPolarHBondContact CG2-ND2 3.29Å; I353-N357 WeakPolarHBondContact O-CB 3.22Å; I353-N357 VanDerWaalsContact O-CG 3.26Å; I353-N357 PolarHBondContact O-N 2.89Å; I353-N357 PolarHBondContact O-ND2 3.33Å; Q354-N357 PolarHBondContact O-N 2.9Å; T355-N357 PolarHBondContact O-N 3.48Å; N357-S361 WeakPolarHBondContact O-CB 3.42Å; N357-S361 PolarHBondContact O-N 3.19Å; N357-S361 PolarHBondContact O-OG 3.23Å |
| 358 | M | 73.8 | Confident | 68 | Low | 61 Ų | 61 | 56.3 Ų | 56.3 | 30% | 0.3 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72.9 | -45.1 | 176.1 | -72.2 | 169.7 | 138.3 | 0 | 0 | 111.9 | Q354 T355 W356 S361 N362 K363 Y369 L372 | Q354-M358 WeakPolarHBondContact O-CG 3.28Å; Q354-M358 PolarHBondContact O-N 2.9Å; Q354-M358 VanDerWaalsContact O-N 3.14Å; T355-M358 WeakPolarHBondContact O-CB 3.26Å; T355-M358 PolarHBondContact O-N 3.45Å; T355-M358 VanDerWaalsContact O-N 3.14Å; W356-M358 PolarHBondContact O-N 3.29Å; M358-S361 PolarHBondContact O-N 2.8Å; M358-S361 PolarHBondContact O-OG 3.42Å; M358-S361 VanDerWaalsContact O-OG 3.14Å; M358-N362 PolarHBondContact O-N 2.7Å; M358-K363 PolarHBondContact O-N 3.09Å; M358-Y369 HydrophobicContact CB-CE1 4.41Å; M358-Y369 HydrophobicContact CE-CE1 4.32Å; M358-Y369 HydrophobicContact SD-CD1 4.36Å; M358-Y369 HydrophobicContact SD-CE1 3.73Å; M358-L372 HydrophobicContact SD-CD1 3.82Å |
| 359 | I | 74.4 | Confident | 67.5 | Low | 11 Ų | 11 | 56.8 Ų | 56.8 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.6 | -50.4 | 176.1 | -68.2 | 168.3 | 0 | 0 | 0 | 110.2 | E314 E317 T318 T355 W356 S361 N362 L365 | E314-I359 HydrophobicContact CB-CG2 4.01Å; E314-I359 HydrophobicContact CG-CG2 3.99Å; E317-I359 HydrophobicContact CB-CD1 4.14Å; T318-I359 WeakPolarHBondContact OG1-CD1 3.35Å; T355-I359 HydrophobicContact CG2-CD1 4.03Å; T355-I359 WeakPolarHBondContact O-CG1 3.13Å; T355-I359 PolarHBondContact O-N 3.25Å; W356-I359 PolarHBondContact O-N 3.39Å; I359-S361 PolarHBondContact O-N 3.02Å; I359-N362 PolarHBondContact O-N 3.16Å; I359-L365 HydrophobicContact CG1-CD2 4.15Å |
| 360 | H | 81.9 | Confident | 66.8 | Low | 64 Ų | 64 | 59.7 Ų | 59.7 | 30% | 0.296 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.8 | -27 | 179.8 | -169.4 | 69.3 | 0 | 0 | 0 | 113.1 | E314 W356 N362 | E314-H360 IonicContact OE1-CE1 3.54Å; E314-H360 IonicContact OE1-ND1 3.57Å; E314-H360 PolarHBondContact OE1-ND1 3.43Å; E314-H360 VanDerWaalsContact OE1-ND1 3.08Å; E314-H360 IonicContact OE2-CE1 3.74Å; E314-H360 IonicContact OE2-CG 3.66Å; E314-H360 IonicContact OE2-ND1 3.23Å; E314-H360 PolarHBondContact OE2-ND1 2.91Å; W356-H360 HydrophobicContact CD2-CB 4.33Å; W356-H360 HydrophobicContact CE3-CB 4.28Å; W356-H360 HydrophobicContact CH2-CB 4.03Å; W356-H360 AromaticContact CH2-CD2 3.72Å; W356-H360 AromaticContact CH2-CG 3.63Å; W356-H360 AromaticContact CH2-ND1 3.92Å; W356-H360 HydrophobicContact CZ2-CB 4.07Å; W356-H360 AromaticContact CZ2-CG 3.8Å; W356-H360 AromaticContact CZ2-ND1 3.75Å; W356-H360 HydrophobicContact CZ3-CB 4.12Å; W356-H360 VanDerWaalsContact O-CB 3.26Å; W356-H360 WeakPolarHBondContact O-CB 3.43Å; W356-H360 PolarHBondContact O-N 3.13Å; H360-N362 VanDerWaalsContact C-N 3.31Å |
| 361 | S | 75.2 | Confident | 66.5 | Low | 62 Ų | 62 | 63.4 Ų | 63.4 | 43% | 0.434 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 9.4 | 175 | 57 | 0 | 0 | 0 | 0 | 114.2 | N357 M358 I359 K363 | N357-S361 WeakPolarHBondContact O-CB 3.42Å; N357-S361 PolarHBondContact O-N 3.19Å; N357-S361 PolarHBondContact O-OG 3.23Å; M358-S361 PolarHBondContact O-N 2.8Å; M358-S361 PolarHBondContact O-OG 3.42Å; M358-S361 VanDerWaalsContact O-OG 3.14Å; I359-S361 PolarHBondContact O-N 3.02Å; S361-K363 PolarHBondContact O-N 3.26Å; S361-K363 VanDerWaalsContact O-N 3.15Å |
| 362 | N | 65.9 | Low | 65.9 | Low | 151 Ų | 151 | 65.8 Ų | 65.8 | 81% | 0.807 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 30 | -177.4 | -78.8 | -20.9 | 0 | 0 | 0 | 113.8 | M358 I359 H360 V364 | M358-N362 PolarHBondContact O-N 2.7Å; I359-N362 PolarHBondContact O-N 3.16Å; H360-N362 VanDerWaalsContact C-N 3.31Å; N362-V364 PolarHBondContact O-N 3.02Å |
| 363 | K | 56.8 | Low | 65.4 | Low | 124 Ų | 124 | 65.8 Ų | 65.8 | 54% | 0.539 | 33% | 0.333 | S | S | . | . | trans | -71.7 | 131.5 | 173.6 | -70.4 | -176.8 | 179.6 | -175.9 | 0 | 108.8 | M358 S361 L365 | M358-K363 PolarHBondContact O-N 3.09Å; S361-K363 PolarHBondContact O-N 3.26Å; S361-K363 VanDerWaalsContact O-N 3.15Å; K363-L365 PolarHBondContact O-N 2.76Å | ||
| 364 | V | 51.4 | Low | 64.6 | Low | 125 Ų | 125 | 70.8 Ų | 70.8 | 76% | 0.758 | 35% | 0.35 | S | S | * | . | trans | -48.8 | 124.2 | -174.8 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | N362 D366 Y369 | N362-V364 PolarHBondContact O-N 3.02Å; V364-D366 PolarHBondContact O-N 2.94Å; V364-D366 VanDerWaalsContact O-N 3.15Å; V364-Y369 WeakPolarHBondContact O-CE2 3.44Å; V364-Y369 PolarHBondContact O-OH 2.88Å | ||
| 365 | L | 52.4 | Low | 64.1 | Low | 67 Ų | 67 | 68.9 Ų | 68.9 | 35% | 0.351 | 34% | 0.342 | S | S | . | . | trans | -76.7 | 80.9 | 172.8 | -74.6 | 163.4 | 0 | 0 | 0 | 110.6 | V321 I359 K363 Y369 | V321-L365 HydrophobicContact CG2-CD2 4.41Å; I359-L365 HydrophobicContact CG1-CD2 4.15Å; K363-L365 PolarHBondContact O-N 2.76Å; L365-Y369 HydrophobicContact CB-CD2 4.28Å; L365-Y369 HydrophobicContact CB-CE2 4.35Å; L365-Y369 HydrophobicContact CD2-CD2 3.7Å; L365-Y369 HydrophobicContact CD2-CE2 4.08Å; L365-Y369 HydrophobicContact CD2-CG 4.05Å | ||
| 366 | D | 53.4 | Low | 63.6 | Low | 89 Ų | 89 | 71.2 Ų | 71.2 | 48% | 0.476 | 36% | 0.358 | S | S | . | . | trans | -66.1 | 151.7 | 162.9 | -178.1 | 29.5 | 0 | 0 | 0 | 112.9 | V364 N368 Y369 | V364-D366 PolarHBondContact O-N 2.94Å; V364-D366 VanDerWaalsContact O-N 3.15Å; D366-N368 PolarHBondContact O-N 2.92Å; D366-N368 PolarHBondContact OD2-ND2 2.94Å; D366-Y369 HydrophobicContact CB-CE2 4.27Å; D366-Y369 WeakPolarHBondContact O-CD2 3.43Å; D366-Y369 PolarHBondContact O-N 2.89Å | ||
| 367 | D | 53.2 | Low | 62.6 | Low | 80 Ų | 80 | 72.2 Ų | 72.2 | 43% | 0.428 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -57.5 | -15 | -176 | -73.8 | -32.3 | 0 | 0 | 0 | 113.4 | Y369 Y370 | D367-Y369 VanDerWaalsContact C-N 3.34Å; D367-Y369 PolarHBondContact O-N 2.77Å; D367-Y370 WeakPolarHBondContact O-CD1 3.22Å; D367-Y370 WeakPolarHBondContact O-CE1 3.06Å |
| 368 | N | 53.5 | Low | 61.8 | Low | 75 Ų | 75 | 75.6 Ų | 75.6 | 40% | 0.401 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -74.9 | -5.8 | -179 | -71.6 | -59.3 | 0 | 0 | 0 | 116.2 | D366 Y370 K371 | D366-N368 PolarHBondContact O-N 2.92Å; D366-N368 PolarHBondContact OD2-ND2 2.94Å; N368-Y370 PolarHBondContact O-N 3.31Å; N368-K371 HydrophobicContact CB-CD 4.46Å; N368-K371 VanDerWaalsContact O-CB 3.28Å; N368-K371 WeakPolarHBondContact O-CB 3.33Å; N368-K371 PolarHBondContact O-N 3.48Å; N368-K371 VanDerWaalsContact O-N 3.13Å; N368-K371 PolarHBondContact OD1-NZ 3.04Å |
| 369 | Y | 56.3 | Low | 61.3 | Low | 39 Ų | 39 | 72.7 Ų | 72.7 | 15% | 0.153 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -65.4 | -30.7 | -171.6 | -79.8 | -77.6 | 0 | 0 | 0 | 115.5 | M358 V364 L365 D366 D367 K371 L372 | M358-Y369 HydrophobicContact CB-CE1 4.41Å; M358-Y369 HydrophobicContact CE-CE1 4.32Å; M358-Y369 HydrophobicContact SD-CD1 4.36Å; M358-Y369 HydrophobicContact SD-CE1 3.73Å; V364-Y369 WeakPolarHBondContact O-CE2 3.44Å; V364-Y369 PolarHBondContact O-OH 2.88Å; L365-Y369 HydrophobicContact CB-CD2 4.28Å; L365-Y369 HydrophobicContact CB-CE2 4.35Å; L365-Y369 HydrophobicContact CD2-CD2 3.7Å; L365-Y369 HydrophobicContact CD2-CE2 4.08Å; L365-Y369 HydrophobicContact CD2-CG 4.05Å; D366-Y369 HydrophobicContact CB-CE2 4.27Å; D366-Y369 WeakPolarHBondContact O-CD2 3.43Å; D366-Y369 PolarHBondContact O-N 2.89Å; D367-Y369 VanDerWaalsContact C-N 3.34Å; D367-Y369 PolarHBondContact O-N 2.77Å; Y369-K371 PolarHBondContact O-N 2.83Å; Y369-L372 HydrophobicContact CD1-CD1 3.72Å; Y369-L372 HydrophobicContact CE1-CD1 4.37Å; Y369-L372 WeakPolarHBondContact O-CB 3.07Å; Y369-L372 PolarHBondContact O-N 2.93Å |
| 370 | Y | 55.1 | Low | 60.7 | Low | 86 Ų | 86 | 72.8 Ų | 72.8 | 34% | 0.337 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -62 | -16.5 | 177 | 57.5 | -100.5 | 0 | 0 | 0 | 112.5 | D367 N368 L372 N373 | D367-Y370 WeakPolarHBondContact O-CD1 3.22Å; D367-Y370 WeakPolarHBondContact O-CE1 3.06Å; N368-Y370 PolarHBondContact O-N 3.31Å; Y370-L372 PolarHBondContact O-N 2.91Å; Y370-N373 WeakPolarHBondContact O-CB 3.36Å; Y370-N373 PolarHBondContact O-N 3.06Å |
| 371 | K | 56.2 | Low | 59.6 | Low | 134 Ų | 134 | 72.9 Ų | 72.9 | 58% | 0.583 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -71.3 | -13.2 | 172.4 | -61.3 | 176 | 176.7 | 166.5 | 0 | 113.7 | N368 Y369 N373 | N368-K371 HydrophobicContact CB-CD 4.46Å; N368-K371 VanDerWaalsContact O-CB 3.28Å; N368-K371 WeakPolarHBondContact O-CB 3.33Å; N368-K371 PolarHBondContact O-N 3.48Å; N368-K371 VanDerWaalsContact O-N 3.13Å; N368-K371 PolarHBondContact OD1-NZ 3.04Å; Y369-K371 PolarHBondContact O-N 2.83Å; K371-N373 VanDerWaalsContact C-N 3.3Å |
| 372 | L | 59.4 | Low | 58.7 | Low | 50 Ų | 50 | 72.3 Ų | 72.3 | 26% | 0.262 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -70 | -30.3 | 171.3 | -70.9 | 176.5 | 0 | 0 | 0 | 111.7 | L322 D351 M358 Y369 Y370 R374 | L322-L372 HydrophobicContact CD2-CB 4.35Å; D351-L372 VanDerWaalsContact CG-O 3.26Å; M358-L372 HydrophobicContact SD-CD1 3.82Å; Y369-L372 HydrophobicContact CD1-CD1 3.72Å; Y369-L372 HydrophobicContact CE1-CD1 4.37Å; Y369-L372 WeakPolarHBondContact O-CB 3.07Å; Y369-L372 PolarHBondContact O-N 2.93Å; Y370-L372 PolarHBondContact O-N 2.91Å; L372-R374 PolarHBondContact O-N 3.06Å |
| 373 | N | 65.3 | Low | 58.3 | Low | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | -67.3 | 104.4 | 172.9 | 178.5 | 8.2 | 0 | 0 | 0 | 108.4 | L322 Y370 K371 L375 S376 | L322-N373 HydrophobicContact CB-CB 4.35Å; L322-N373 HydrophobicContact CD2-CB 3.75Å; L322-N373 WeakPolarHBondContact O-CB 3.43Å; L322-N373 PolarHBondContact O-ND2 3.33Å; Y370-N373 WeakPolarHBondContact O-CB 3.36Å; Y370-N373 PolarHBondContact O-N 3.06Å; K371-N373 VanDerWaalsContact C-N 3.3Å; N373-L375 PolarHBondContact O-N 3.13Å; N373-L375 VanDerWaalsContact O-N 3.09Å; N373-L375 WeakPolarHBondContact OD1-CA 3.09Å; N373-L375 WeakPolarHBondContact OD1-CB 3.27Å; N373-L375 PolarHBondContact OD1-N 2.68Å; N373-S376 WeakPolarHBondContact O-CB 3.17Å; N373-S376 PolarHBondContact O-N 2.81Å; N373-S376 PolarHBondContact O-OG 3.34Å; N373-S376 PolarHBondContact OD1-N 2.94Å | ||
| 374 | R | 60 | Low | 58.4 | Low | 134 Ų | 134 | 63.5 Ų | 63.5 | 51% | 0.506 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -14.2 | 179.4 | -61.7 | 172.7 | -173.1 | -132.1 | -11.1 | 113 | L348 D351 L372 | L348-R374 HydrophobicContact CD1-CB 4.03Å; L348-R374 HydrophobicContact CD1-CG 4.41Å; D351-R374 IonicContact OD1-NE 2.74Å; D351-R374 PolarHBondContact OD1-NE 3.19Å; D351-R374 WeakPolarHBondContact OD2-CG 3.45Å; D351-R374 PolarHBondContact OD2-N 2.96Å; D351-R374 VanDerWaalsContact OD2-N 3.14Å; L372-R374 PolarHBondContact O-N 3.06Å |
| 375 | L | 61.1 | Low | 58.6 | Low | 38 Ų | 38 | 63.1 Ų | 63.1 | 20% | 0.199 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 11.5 | 174.7 | -59.6 | 175 | 0 | 0 | 0 | 112.6 | K346 N373 G377 K378 L379 | K346-L375 WeakPolarHBondContact O-CD1 3.18Å; N373-L375 PolarHBondContact O-N 3.13Å; N373-L375 VanDerWaalsContact O-N 3.09Å; N373-L375 WeakPolarHBondContact OD1-CA 3.09Å; N373-L375 WeakPolarHBondContact OD1-CB 3.27Å; N373-L375 PolarHBondContact OD1-N 2.68Å; L375-G377 PolarHBondContact O-N 3.34Å; L375-K378 WeakPolarHBondContact O-CB 3.25Å; L375-K378 PolarHBondContact O-N 2.8Å; L375-L379 HydrophobicContact CB-CD2 4.17Å; L375-L379 HydrophobicContact CB-CG 4.34Å; L375-L379 HydrophobicContact CD1-CD2 4.34Å |
| 376 | S | 65.2 | Low | 58.5 | Low | 49 Ų | 49 | 61.3 Ų | 61.3 | 34% | 0.343 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 126.9 | -178.5 | 62.3 | 0 | 0 | 0 | 0 | 111.8 | S325 N373 K378 | S325-S376 WeakPolarHBondContact OG-CA 3.43Å; S325-S376 VanDerWaalsContact OG-CB 3.26Å; S325-S376 WeakPolarHBondContact OG-CB 3.46Å; N373-S376 WeakPolarHBondContact O-CB 3.17Å; N373-S376 PolarHBondContact O-N 2.81Å; N373-S376 PolarHBondContact O-OG 3.34Å; N373-S376 PolarHBondContact OD1-N 2.94Å; S376-K378 PolarHBondContact O-N 2.76Å |
| 377 | G | 62 | Low | 58.1 | Low | 23 Ų | 23 | 61.8 Ų | 61.8 | 24% | 0.237 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | -1.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S325 D326 L375 | S325-G377 PolarHBondContact OG-N 2.98Å; D326-G377 VanDerWaalsContact CG-N 3.32Å; D326-G377 VanDerWaalsContact OD1-C 3.27Å; D326-G377 WeakPolarHBondContact OD1-CA 3.36Å; D326-G377 PolarHBondContact OD1-N 2.97Å; D326-G377 VanDerWaalsContact OD1-N 3.1Å; D326-G377 PolarHBondContact OD2-N 3.12Å; L375-G377 PolarHBondContact O-N 3.34Å |
| 378 | K | 65.3 | Low | 58 | Low | 126 Ų | 126 | 65.7 Ų | 65.7 | 55% | 0.548 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -15.3 | 173.5 | -62.8 | -179.3 | -179.8 | 175.9 | 0 | 112.1 | D326 L375 S376 V380 S381 I382 | D326-K378 PolarHBondContact OD1-N 3.27Å; L375-K378 WeakPolarHBondContact O-CB 3.25Å; L375-K378 PolarHBondContact O-N 2.8Å; S376-K378 PolarHBondContact O-N 2.76Å; K378-V380 PolarHBondContact O-N 2.97Å; K378-S381 PolarHBondContact O-N 3.29Å; K378-S381 PolarHBondContact O-OG 3.45Å; K378-I382 HydrophobicContact CB-CD1 4.17Å; K378-I382 WeakPolarHBondContact O-CD1 3.49Å; K378-I382 WeakPolarHBondContact O-CG1 3.28Å; K378-I382 PolarHBondContact O-N 3.24Å |
| 379 | L | 62.6 | Low | 57.4 | Low | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.1 | -39.2 | -174.3 | -64.8 | 171.5 | 0 | 0 | 0 | 110.7 | L323 D326 L339 K346 L347 L375 S381 I382 T383 | L323-L379 HydrophobicContact CD2-CD1 3.54Å; D326-L379 HydrophobicContact CB-CB 4.29Å; D326-L379 WeakPolarHBondContact OD1-CA 3.28Å; D326-L379 WeakPolarHBondContact OD1-CB 3.32Å; D326-L379 PolarHBondContact OD1-N 3.08Å; L339-L379 HydrophobicContact CD1-CB 3.93Å; K346-L379 HydrophobicContact CB-CD2 3.59Å; K346-L379 HydrophobicContact CG-CD2 4.46Å; L347-L379 HydrophobicContact CD2-CD1 3.87Å; L375-L379 HydrophobicContact CB-CD2 4.17Å; L375-L379 HydrophobicContact CB-CG 4.34Å; L375-L379 HydrophobicContact CD1-CD2 4.34Å; L379-S381 PolarHBondContact O-N 3.29Å; L379-I382 PolarHBondContact O-N 3.16Å; L379-T383 WeakPolarHBondContact O-CG2 3.49Å; L379-T383 PolarHBondContact O-N 3.18Å; L379-T383 PolarHBondContact O-OG1 3.37Å |
| 380 | V | 61.8 | Low | 56.6 | Low | 13 Ų | 13 | 67 Ų | 67 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.1 | -47.7 | 176.3 | -173.7 | 0 | 0 | 0 | 0 | 111.5 | D326 Q329 I330 K378 T383 K384 | D326-V380 HydrophobicContact CB-CG2 3.7Å; D326-V380 WeakPolarHBondContact O-CG2 3.32Å; D326-V380 PolarHBondContact OD1-N 3.16Å; Q329-V380 HydrophobicContact CB-CG2 4.38Å; I330-V380 HydrophobicContact CD1-CG1 4.47Å; I330-V380 HydrophobicContact CD1-CG2 4.02Å; I330-V380 HydrophobicContact CG1-CG1 4.14Å; I330-V380 HydrophobicContact CG1-CG2 3.98Å; K378-V380 PolarHBondContact O-N 2.97Å; V380-T383 WeakPolarHBondContact CA-OG1 3.47Å; V380-T383 PolarHBondContact O-N 2.86Å; V380-T383 PolarHBondContact O-OG1 2.89Å; V380-K384 HydrophobicContact CG1-CD 4.29Å; V380-K384 WeakPolarHBondContact O-CB 3.11Å; V380-K384 WeakPolarHBondContact O-CG 3.4Å; V380-K384 PolarHBondContact O-N 3.44Å |
| 381 | S | 59 | Low | 55.8 | Low | 66 Ų | 66 | 72 Ų | 72 | 46% | 0.462 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 177.2 | 44 | 0 | 0 | 0 | 0 | 112.5 | K378 L379 K384 E385 | K378-S381 PolarHBondContact O-N 3.29Å; K378-S381 PolarHBondContact O-OG 3.45Å; L379-S381 PolarHBondContact O-N 3.29Å; S381-K384 PolarHBondContact O-N 3.48Å; S381-E385 PolarHBondContact O-N 3.38Å |
| 382 | I | 56.5 | Low | 54.6 | Low | 50 Ų | 50 | 73.3 Ų | 73.3 | 26% | 0.256 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 178.6 | -67.7 | 163.2 | 0 | 0 | 0 | 110.5 | K346 K378 L379 I386 | K346-I382 HydrophobicContact CG-CG2 4.47Å; K378-I382 HydrophobicContact CB-CD1 4.17Å; K378-I382 WeakPolarHBondContact O-CD1 3.49Å; K378-I382 WeakPolarHBondContact O-CG1 3.28Å; K378-I382 PolarHBondContact O-N 3.24Å; L379-I382 PolarHBondContact O-N 3.16Å; I382-I386 HydrophobicContact CG2-CD1 4.46Å; I382-I386 WeakPolarHBondContact O-CD1 3.06Å; I382-I386 VanDerWaalsContact O-CG1 3.3Å; I382-I386 WeakPolarHBondContact O-CG1 3.17Å; I382-I386 PolarHBondContact O-N 3.47Å |
| 383 | T | 57.4 | Low | 53.2 | Low | 2 Ų | 2 | 82.4 Ų | 82.4 | 1% | 0.012 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69.2 | -35.2 | 177.2 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | H342 L379 V380 I386 Q387 | H342-T383 HydrophobicContact CB-CG2 3.88Å; L379-T383 WeakPolarHBondContact O-CG2 3.49Å; L379-T383 PolarHBondContact O-N 3.18Å; L379-T383 PolarHBondContact O-OG1 3.37Å; V380-T383 WeakPolarHBondContact CA-OG1 3.47Å; V380-T383 PolarHBondContact O-N 2.86Å; V380-T383 PolarHBondContact O-OG1 2.89Å; T383-I386 WeakPolarHBondContact O-CB 3.43Å; T383-I386 PolarHBondContact O-N 2.93Å; T383-Q387 PolarHBondContact O-N 3.5Å |
| 384 | K | 59.7 | Low | 51.4 | Low | 87 Ų | 87 | 86.4 Ų | 86.4 | 38% | 0.378 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68 | -43.4 | 174.2 | -77.8 | -178 | 178.6 | -174.2 | 0 | 112.8 | D335 V380 S381 I386 Q387 E388 | D335-K384 VanDerWaalsContact CG-CE 3.46Å; D335-K384 WeakPolarHBondContact OD2-CE 3.38Å; D335-K384 IonicContact OD2-NZ 2.86Å; D335-K384 PolarHBondContact OD2-NZ 2.93Å; V380-K384 HydrophobicContact CG1-CD 4.29Å; V380-K384 WeakPolarHBondContact O-CB 3.11Å; V380-K384 WeakPolarHBondContact O-CG 3.4Å; V380-K384 PolarHBondContact O-N 3.44Å; S381-K384 PolarHBondContact O-N 3.48Å; K384-I386 VanDerWaalsContact C-N 3.25Å; K384-I386 PolarHBondContact O-N 3.16Å; K384-Q387 VanDerWaalsContact O-CB 3.29Å; K384-Q387 WeakPolarHBondContact O-CB 3.26Å; K384-Q387 PolarHBondContact O-N 3.41Å; K384-E388 PolarHBondContact O-N 2.96Å |
| 385 | E | 54.4 | Low | 49.8 | Very low | 118 Ų | 118 | 83.5 Ų | 83.5 | 55% | 0.551 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -58.3 | -38 | 175.4 | -88.2 | -172.7 | 155.5 | 0 | 0 | 112.1 | S381 Q387 E388 T389 | S381-E385 PolarHBondContact O-N 3.38Å; E385-Q387 VanDerWaalsContact C-N 3.27Å; E385-Q387 PolarHBondContact O-N 3.05Å; E385-E388 PolarHBondContact O-N 3.14Å; E385-T389 WeakPolarHBondContact O-CB 3.31Å; E385-T389 WeakPolarHBondContact O-CG2 3.21Å; E385-T389 PolarHBondContact O-N 2.82Å; E385-T389 PolarHBondContact O-OG1 3.03Å |
| 386 | I | 50.4 | Low | 48.2 | Very low | 28 Ų | 28 | 86.1 Ų | 86.1 | 14% | 0.144 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59.8 | -38.6 | 174.3 | -67.1 | 162.7 | 0 | 0 | 0 | 110.8 | I382 T383 K384 S390 F396 | I382-I386 HydrophobicContact CG2-CD1 4.46Å; I382-I386 WeakPolarHBondContact O-CD1 3.06Å; I382-I386 VanDerWaalsContact O-CG1 3.3Å; I382-I386 WeakPolarHBondContact O-CG1 3.17Å; I382-I386 PolarHBondContact O-N 3.47Å; T383-I386 WeakPolarHBondContact O-CB 3.43Å; T383-I386 PolarHBondContact O-N 2.93Å; K384-I386 VanDerWaalsContact C-N 3.25Å; K384-I386 PolarHBondContact O-N 3.16Å; I386-S390 WeakPolarHBondContact O-CA 3.21Å; I386-S390 WeakPolarHBondContact O-CB 3.34Å; I386-S390 PolarHBondContact O-N 3.5Å; I386-S390 PolarHBondContact O-OG 3.48Å; I386-F396 HydrophobicContact CB-CE1 4.27Å; I386-F396 HydrophobicContact CB-CZ 4.3Å; I386-F396 HydrophobicContact CD1-CE1 4.31Å; I386-F396 HydrophobicContact CG1-CD1 4.29Å; I386-F396 HydrophobicContact CG1-CE1 3.38Å; I386-F396 HydrophobicContact CG1-CZ 3.8Å; I386-F396 HydrophobicContact CG2-CZ 4.07Å |
| 387 | Q | 46.2 | Very low | 46.4 | Very low | 100 Ų | 100 | 92.5 Ų | 92.5 | 47% | 0.467 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.7 | -50.4 | 178.9 | -116.9 | -159.3 | -19.8 | 0 | 0 | 111.7 | Q338 T383 K384 E385 T389 S390 | Q338-Q387 VanDerWaalsContact CD-CD 3.41Å; Q338-Q387 VanDerWaalsContact OE1-CG 3.3Å; T383-Q387 PolarHBondContact O-N 3.5Å; K384-Q387 VanDerWaalsContact O-CB 3.29Å; K384-Q387 WeakPolarHBondContact O-CB 3.26Å; K384-Q387 PolarHBondContact O-N 3.41Å; E385-Q387 VanDerWaalsContact C-N 3.27Å; E385-Q387 PolarHBondContact O-N 3.05Å; Q387-T389 VanDerWaalsContact C-N 3.3Å; Q387-T389 PolarHBondContact O-N 3.47Å; Q387-S390 PolarHBondContact O-N 2.67Å; Q387-S390 PolarHBondContact O-OG 2.96Å |
| 388 | E | 49.8 | Very low | 44.7 | Very low | 161 Ų | 161 | 94.1 Ų | 94.1 | 75% | 0.752 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -65.6 | -35.2 | -179 | -68.7 | -171.5 | 167.4 | 0 | 0 | 111.8 | K384 E385 | K384-E388 PolarHBondContact O-N 2.96Å; E385-E388 PolarHBondContact O-N 3.14Å |
| 389 | T | 42.3 | Very low | 43.1 | Very low | 52 Ų | 52 | 91.6 Ų | 91.6 | 32% | 0.319 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -91 | -15.1 | -179.9 | 59.2 | 0 | 0 | 0 | 0 | 114.4 | E385 Q387 K391 K392 | E385-T389 WeakPolarHBondContact O-CB 3.31Å; E385-T389 WeakPolarHBondContact O-CG2 3.21Å; E385-T389 PolarHBondContact O-N 2.82Å; E385-T389 PolarHBondContact O-OG1 3.03Å; Q387-T389 VanDerWaalsContact C-N 3.3Å; Q387-T389 PolarHBondContact O-N 3.47Å; T389-K391 PolarHBondContact O-N 3.49Å; T389-K391 VanDerWaalsContact O-N 3.12Å; T389-K392 CarbonylContact O-C 3.43Å; T389-K392 WeakPolarHBondContact O-CA 3.47Å; T389-K392 PolarHBondContact O-N 3.17Å |
| 390 | S | 39.2 | Very low | 41.5 | Very low | 90 Ų | 90 | 94.6 Ų | 94.6 | 63% | 0.629 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.3 | -19.5 | 171.7 | 65 | 0 | 0 | 0 | 0 | 112.6 | I386 Q387 K392 | I386-S390 WeakPolarHBondContact O-CA 3.21Å; I386-S390 WeakPolarHBondContact O-CB 3.34Å; I386-S390 PolarHBondContact O-N 3.5Å; I386-S390 PolarHBondContact O-OG 3.48Å; Q387-S390 PolarHBondContact O-N 2.67Å; Q387-S390 PolarHBondContact O-OG 2.96Å; S390-K392 VanDerWaalsContact C-N 3.31Å |
| 391 | K | 38 | Very low | 40 | Very low | 192 Ų | 192 | 98.7 Ų | 98.7 | 84% | 0.835 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -8.4 | 167.4 | -73.5 | -177.4 | 177.5 | 175.4 | 0 | 114.2 | T389 | T389-K391 PolarHBondContact O-N 3.49Å; T389-K391 VanDerWaalsContact O-N 3.12Å |
| 392 | K | 31.3 | Very low | 38.4 | Very low | 160 Ų | 160 | 98.2 Ų | 98.2 | 70% | 0.696 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -145.8 | 105.2 | -178.2 | -79.4 | -177.4 | 176.1 | 175.3 | 0 | 111.8 | T389 S390 V394 | T389-K392 CarbonylContact O-C 3.43Å; T389-K392 WeakPolarHBondContact O-CA 3.47Å; T389-K392 PolarHBondContact O-N 3.17Å; S390-K392 VanDerWaalsContact C-N 3.31Å; K392-V394 PolarHBondContact O-N 2.99Å |
| 393 | Y | 29.4 | Very low | 37.1 | Very low | 241 Ų | 241 | 100.3 Ų | 100.3 | 95% | 0.945 | 48% | 0.476 | S | S | * | . | trans | -31.5 | 85.8 | 170.9 | -70.1 | -92.9 | 0 | 0 | 0 | 115.6 | ||||
| 394 | V | 28 | Very low | 35.7 | Very low | 84 Ų | 84 | 107.3 Ų | 107.3 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | trans | -149.1 | 124.3 | 170.4 | -174.4 | 0 | 0 | 0 | 0 | 112.9 | K392 | K392-V394 PolarHBondContact O-N 2.99Š| ||
| 395 | N | 26.4 | Very low | 34.2 | Very low | 74 Ų | 74 | 110.1 Ų | 110.1 | 40% | 0.396 | 53% | 0.527 | S | S | . | . | trans | 19.6 | 114.9 | 149.2 | -54.5 | -26 | 0 | 0 | 0 | 120.6 | S414 | N395-S414 WeakPolarHBondContact CB-O 3.32Å; N395-S414 PolarHBondContact ND2-O 2.67Å | ||
| 396 | F | 27.3 | Very low | 32.9 | Very low | 93 Ų | 93 | 108.3 Ų | 108.3 | 41% | 0.408 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -102.4 | 139.9 | 167.2 | -71 | -64.1 | 0 | 0 | 0 | 112.3 | I386 | I386-F396 HydrophobicContact CB-CE1 4.27Å; I386-F396 HydrophobicContact CB-CZ 4.3Å; I386-F396 HydrophobicContact CD1-CE1 4.31Å; I386-F396 HydrophobicContact CG1-CD1 4.29Å; I386-F396 HydrophobicContact CG1-CE1 3.38Å; I386-F396 HydrophobicContact CG1-CZ 3.8Å; I386-F396 HydrophobicContact CG2-CZ 4.07Å |
| 397 | Y | 27.3 | Very low | 31.7 | Very low | 183 Ų | 183 | 110.5 Ų | 110.5 | 72% | 0.718 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -46.1 | 132.8 | 172.1 | -73.4 | -94.6 | 0 | 0 | 0 | 112.6 | Q399 | Y397-Q399 PolarHBondContact O-N 2.9Š|
| 398 | L | 27.2 | Very low | 30.8 | Very low | 56 Ų | 56 | 109 Ų | 109 | 29% | 0.293 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 130.8 | 165.9 | -92 | 147.7 | 0 | 0 | 0 | 109.1 | D400 T410 T412 | L398-D400 PolarHBondContact O-N 3.45Å; L398-T410 VanDerWaalsContact CB-OG1 3.3Å; L398-T410 WeakPolarHBondContact CB-OG1 3.31Å; L398-T412 HydrophobicContact CD1-CG2 4.44Å |
| 399 | Q | 30.6 | Very low | 29.7 | Very low | 74 Ų | 74 | 105.3 Ų | 105.3 | 35% | 0.346 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 120.9 | 174.6 | -92.2 | 169.6 | -31.3 | 0 | 0 | 109.1 | N345 Y397 F401 | N345-Q399 PolarHBondContact O-NE2 3.37Å; N345-Q399 PolarHBondContact OD1-NE2 2.9Å; Y397-Q399 PolarHBondContact O-N 2.9Å; Q399-F401 WeakPolarHBondContact O-CD1 3.45Å; Q399-F401 PolarHBondContact O-N 3.27Å |
| 400 | D | 29 | Very low | 28.9 | Very low | 62 Ų | 62 | 104.2 Ų | 104.2 | 33% | 0.332 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 121.4 | 163 | -66.3 | -35.2 | 0 | 0 | 0 | 108.5 | L348 L398 T409 | L348-D400 HydrophobicContact CD2-CB 3.95Å; L398-D400 PolarHBondContact O-N 3.45Å; D400-T409 WeakPolarHBondContact OD1-CA 3.45Å; D400-T409 WeakPolarHBondContact OD1-CG2 3.42Å |
| 401 | F | 30.4 | Very low | 28.3 | Very low | 99 Ų | 99 | 105.8 Ų | 105.8 | 43% | 0.434 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 138 | 172.1 | 56.9 | -95.4 | 0 | 0 | 0 | 109.9 | Q399 I403 | Q399-F401 WeakPolarHBondContact O-CD1 3.45Å; Q399-F401 PolarHBondContact O-N 3.27Å; F401-I403 HydrophobicContact CD2-CD1 3.73Å; F401-I403 HydrophobicContact CD2-CG1 3.88Å; F401-I403 HydrophobicContact CE2-CD1 3.59Å; F401-I403 HydrophobicContact CE2-CG1 4.24Å |
| 402 | V | 26.2 | Very low | 27.8 | Very low | 56 Ų | 56 | 98.8 Ų | 98.8 | 34% | 0.339 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 120.2 | 176.2 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | K350 I407 | K350-V402 HydrophobicContact CB-CG2 4.32Å; K350-V402 HydrophobicContact CD-CG1 4.35Å; K350-V402 HydrophobicContact CD-CG2 4.32Å; V402-I407 HydrophobicContact CG2-CG1 4.17Å |
| 403 | I | 28.7 | Very low | 27.6 | Very low | 95 Ų | 95 | 94.8 Ų | 94.8 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 118.3 | 169.5 | -65.9 | 171.5 | 0 | 0 | 0 | 106.7 | F401 N405 I406 | F401-I403 HydrophobicContact CD2-CD1 3.73Å; F401-I403 HydrophobicContact CD2-CG1 3.88Å; F401-I403 HydrophobicContact CE2-CD1 3.59Å; F401-I403 HydrophobicContact CE2-CG1 4.24Å; I403-N405 PolarHBondContact O-N 2.9Å; I403-I406 PolarHBondContact N-O 2.96Å; I403-I406 VanDerWaalsContact N-O 3.13Å; I403-I406 WeakPolarHBondContact O-CA 3.45Å; I403-I406 WeakPolarHBondContact O-CB 3.29Å; I403-I406 PolarHBondContact O-N 3.48Å |
| 404 | H | 27.1 | Very low | 27.6 | Very low | 149 Ų | 149 | 86.6 Ų | 86.6 | 69% | 0.69 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 53.9 | 167.7 | -64.5 | 92.8 | 0 | 0 | 0 | 115.1 | I406 | H404-I406 PolarHBondContact O-N 3Å; H404-I406 VanDerWaalsContact O-N 3.16Å |
| 405 | N | 28.3 | Very low | 27.7 | Very low | 145 Ų | 145 | 92.2 Ų | 92.2 | 78% | 0.775 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 6.5 | -177.6 | -65.4 | -29.9 | 0 | 0 | 0 | 116.3 | I403 | I403-N405 PolarHBondContact O-N 2.9Š|
| 406 | I | 26.8 | Very low | 27.9 | Very low | 80 Ų | 80 | 95.7 Ų | 95.7 | 41% | 0.41 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 120.3 | 168.9 | -54.2 | 174.6 | 0 | 0 | 0 | 107.6 | I403 H404 V408 F449 | I403-I406 PolarHBondContact N-O 2.96Å; I403-I406 VanDerWaalsContact N-O 3.13Å; I403-I406 WeakPolarHBondContact O-CA 3.45Å; I403-I406 WeakPolarHBondContact O-CB 3.29Å; I403-I406 PolarHBondContact O-N 3.48Å; H404-I406 PolarHBondContact O-N 3Å; H404-I406 VanDerWaalsContact O-N 3.16Å; I406-V408 HydrophobicContact CG2-CG2 3.99Å; I406-F449 HydrophobicContact CD1-CD2 4.1Å; I406-F449 HydrophobicContact CD1-CE2 3.79Å |
| 407 | I | 26.9 | Very low | 28.2 | Very low | 75 Ų | 75 | 96.4 Ų | 96.4 | 39% | 0.385 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 113.3 | 171.7 | -56.9 | 177.9 | 0 | 0 | 0 | 106.2 | V402 | V402-I407 HydrophobicContact CG2-CG1 4.17Å |
| 408 | V | 27.2 | Very low | 28.3 | Very low | 68 Ų | 68 | 90.3 Ų | 90.3 | 41% | 0.412 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 103.3 | 171.8 | -177.2 | 0 | 0 | 0 | 0 | 107.2 | I406 | I406-V408 HydrophobicContact CG2-CG2 3.99Å |
| 409 | T | 25.3 | Very low | 28.6 | Very low | 83 Ų | 83 | 89.9 Ų | 89.9 | 51% | 0.509 | 47% | 0.465 | S | S | . | . | trans | -96.5 | 112.1 | 176 | -53.3 | 0 | 0 | 0 | 0 | 108.7 | D400 V411 | D400-T409 WeakPolarHBondContact OD1-CA 3.45Å; D400-T409 WeakPolarHBondContact OD1-CG2 3.42Å; T409-V411 HydrophobicContact CG2-CG2 4.4Å; T409-V411 PolarHBondContact O-N 3.04Å | ||
| 410 | T | 26.2 | Very low | 28.6 | Very low | 29 Ų | 29 | 91.3 Ų | 91.3 | 18% | 0.178 | 48% | 0.48 | C | S | . | . | trans | -89.6 | 102.9 | 176.6 | 48.6 | 0 | 0 | 0 | 0 | 110.3 | L398 T412 F423 | L398-T410 VanDerWaalsContact CB-OG1 3.3Å; L398-T410 WeakPolarHBondContact CB-OG1 3.31Å; T410-T412 PolarHBondContact O-N 3.28Å; T410-F423 HydrophobicContact CG2-CE1 4.18Å; T410-F423 HydrophobicContact CG2-CZ 3.96Å | ||
| 411 | V | 26.1 | Very low | 28.7 | Very low | 124 Ų | 124 | 94.9 Ų | 94.9 | 75% | 0.752 | 50% | 0.495 | S | S | * | . | trans | -88.3 | 90.4 | 168.6 | -173 | 0 | 0 | 0 | 0 | 108.3 | T409 | T409-V411 HydrophobicContact CG2-CG2 4.4Å; T409-V411 PolarHBondContact O-N 3.04Å | ||
| 412 | T | 27.6 | Very low | 28.7 | Very low | 45 Ų | 45 | 93.9 Ų | 93.9 | 28% | 0.276 | 49% | 0.494 | S | S | . | . | trans | -98.5 | 140.4 | 173.5 | 56.7 | 0 | 0 | 0 | 0 | 110.7 | L398 T410 S414 | L398-T412 HydrophobicContact CD1-CG2 4.44Å; T410-T412 PolarHBondContact O-N 3.28Å; T412-S414 PolarHBondContact O-N 3.32Å | ||
| 413 | D | 27.5 | Very low | 28.9 | Very low | 76 Ų | 76 | 95.8 Ų | 95.8 | 41% | 0.406 | 50% | 0.497 | S | S | . | . | trans | -56 | 125.9 | 168.6 | -173.5 | -13.3 | 0 | 0 | 0 | 108.9 | R415 K416 K492 | D413-R415 PolarHBondContact O-N 3.36Å; D413-K416 PolarHBondContact O-N 3.47Å; D413-K492 IonicContact OD2-NZ 2.74Å; D413-K492 PolarHBondContact OD2-NZ 2.85Å | ||
| 414 | S | 29.3 | Very low | 28.8 | Very low | 69 Ų | 69 | 96.4 Ų | 96.4 | 48% | 0.483 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.3 | -11.2 | -177.5 | 60.2 | 0 | 0 | 0 | 0 | 117.7 | N395 T412 | N395-S414 WeakPolarHBondContact CB-O 3.32Å; N395-S414 PolarHBondContact ND2-O 2.67Å; T412-S414 PolarHBondContact O-N 3.32Å |
| 415 | R | 30.4 | Very low | 28.9 | Very low | 202 Ų | 202 | 91.8 Ų | 91.8 | 76% | 0.762 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -8.1 | -173.4 | -56.4 | -172.7 | -160.2 | -179.3 | 4.7 | 115.4 | D413 | D413-R415 PolarHBondContact O-N 3.36Š|
| 416 | K | 30.8 | Very low | 28.8 | Very low | 146 Ų | 146 | 86.9 Ų | 86.9 | 64% | 0.635 | 45% | 0.448 | S | S | * | . | trans | -138.2 | 99.8 | -178.1 | -67.1 | -173.1 | 178.2 | -175.4 | 0 | 111.4 | D413 L418 | D413-K416 PolarHBondContact O-N 3.47Å; K416-L418 PolarHBondContact O-N 3.45Å | ||
| 417 | I | 32.6 | Very low | 28.7 | Very low | 108 Ų | 108 | 87.2 Ų | 87.2 | 55% | 0.554 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 117.1 | 166.8 | -61.4 | 170.1 | 0 | 0 | 0 | 106.9 | P419 | I417-P419 WeakPolarHBondContact O-CD 3.25Š|
| 418 | L | 30.2 | Very low | 28.8 | Very low | 55 Ų | 55 | 83.7 Ų | 83.7 | 29% | 0.288 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 125.3 | 168.1 | -82.4 | 155.5 | 0 | 0 | 0 | 108.5 | K416 L422 | K416-L418 PolarHBondContact O-N 3.45Å; L418-L422 HydrophobicContact CD2-CB 3.92Å; L418-L422 HydrophobicContact CD2-CD1 4.37Å |
| 419 | P | 33.8 | Very low | 29 | Very low | 47 Ų | 47 | 85.9 Ų | 85.9 | 31% | 0.305 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 144.8 | 168.4 | -20.3 | 29.1 | 0 | 0 | 0 | 111 | I417 H421 L422 | I417-P419 WeakPolarHBondContact O-CD 3.25Å; P419-H421 WeakPolarHBondContact CB-CE1 3.4Å; P419-H421 WeakPolarHBondContact CB-NE2 3.49Å; P419-H421 PolarHBondContact O-N 3.25Å; P419-L422 HydrophobicContact CB-CD1 4.45Å; P419-L422 HydrophobicContact CG-CD1 3.92Å; P419-L422 PolarHBondContact O-N 2.97Å |
| 420 | P | 30.7 | Very low | 29 | Very low | 104 Ų | 104 | 84.1 Ų | 84.1 | 68% | 0.675 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -58.3 | -17 | -176.1 | 18.8 | -30.1 | 0 | 0 | 0 | 114.6 | ||
| 421 | H | 31.7 | Very low | 29 | Very low | 137 Ų | 137 | 85.3 Ų | 85.3 | 63% | 0.634 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -85.5 | -4.2 | 177.3 | 33.5 | -81 | 0 | 0 | 0 | 114.5 | P419 | P419-H421 WeakPolarHBondContact CB-CE1 3.4Å; P419-H421 WeakPolarHBondContact CB-NE2 3.49Å; P419-H421 PolarHBondContact O-N 3.25Å |
| 422 | L | 29.2 | Very low | 29 | Very low | 79 Ų | 79 | 84.2 Ų | 84.2 | 41% | 0.414 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -97.3 | 3.5 | 179.8 | -90.2 | 156 | 0 | 0 | 0 | 114.3 | L418 P419 R424 P583 | L418-L422 HydrophobicContact CD2-CB 3.92Å; L418-L422 HydrophobicContact CD2-CD1 4.37Å; P419-L422 HydrophobicContact CB-CD1 4.45Å; P419-L422 HydrophobicContact CG-CD1 3.92Å; P419-L422 PolarHBondContact O-N 2.97Å; L422-R424 PolarHBondContact O-N 3.48Å; L422-P583 HydrophobicContact CD2-CG 4.19Å |
| 423 | F | 30.3 | Very low | 29.2 | Very low | 95 Ų | 95 | 89.8 Ų | 89.8 | 42% | 0.417 | 44% | 0.442 | S | S | . | . | trans | -73.8 | 116.6 | 170.1 | -73.4 | -85.3 | 0 | 0 | 0 | 110.3 | T410 | T410-F423 HydrophobicContact CG2-CE1 4.18Å; T410-F423 HydrophobicContact CG2-CZ 3.96Å | ||
| 424 | R | 27.9 | Very low | 29.1 | Very low | 108 Ų | 108 | 92.6 Ų | 92.6 | 41% | 0.408 | 45% | 0.453 | S | S | . | . | trans | -118.3 | 117.1 | 168.4 | -71.2 | -177.8 | 176 | 176.2 | -6 | 108.7 | L422 E442 | L422-R424 PolarHBondContact O-N 3.48Å; R424-E442 IonicContact NH2-OE1 3.28Å | ||
| 425 | T | 27.2 | Very low | 29 | Very low | 52 Ų | 52 | 94.4 Ų | 94.4 | 32% | 0.319 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 125.4 | 172.2 | 25.5 | 0 | 0 | 0 | 0 | 109.4 | P445 L578 | T425-P445 WeakPolarHBondContact OG1-CB 3.09Å; T425-P445 WeakPolarHBondContact OG1-CG 3.49Å; T425-L578 HydrophobicContact CG2-CD2 3.64Å |
| 426 | K | 27.3 | Very low | 29.1 | Very low | 42 Ų | 42 | 87.7 Ų | 87.7 | 18% | 0.183 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 137.2 | 166.4 | -78.2 | -173.5 | 173.7 | -171.4 | 0 | 109.1 | ||
| 427 | L | 25.7 | Very low | 29.1 | Very low | 87 Ų | 87 | 86 Ų | 86 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 110.5 | 169.9 | -86.6 | 153.7 | 0 | 0 | 0 | 107.8 | S438 I576 L578 | L427-S438 PolarHBondContact O-N 3.07Å; L427-S438 PolarHBondContact O-OG 3.18Å; L427-I576 HydrophobicContact CD2-CG2 4.1Å; L427-L578 HydrophobicContact CD2-CD1 4.34Å |
| 428 | D | 27.3 | Very low | 29 | Very low | 1 Ų | 1 | 82.9 Ų | 82.9 | 1% | 0.005 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 119.7 | 169.7 | -66.2 | -19.1 | 0 | 0 | 0 | 107.1 | I435 Q437 S577 Q579 | D428-I435 HydrophobicContact CB-CG2 3.85Å; D428-Q437 WeakPolarHBondContact OD1-CG 3.38Å; D428-S577 PolarHBondContact N-O 3.41Å; D428-S577 VanDerWaalsContact N-O 3.14Å; D428-S577 PolarHBondContact O-N 2.87Å; D428-S577 PolarHBondContact O-OG 3.44Å; D428-Q579 WeakPolarHBondContact OD2-CG 3.24Å; D428-Q579 PolarHBondContact OD2-NE2 2.93Å; D428-Q579 PolarHBondContact OD2-OE1 3.48Å |
| 429 | Y | 31.5 | Very low | 28.9 | Very low | 115 Ų | 115 | 87.8 Ų | 87.8 | 45% | 0.451 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 138.9 | 177.9 | 61.6 | -80.4 | 0 | 0 | 0 | 109.2 | V431 K436 | Y429-V431 HydrophobicContact CD2-CG2 3.45Å; Y429-V431 VanDerWaalsContact CD2-CG2 3.45Å; Y429-V431 HydrophobicContact CE2-CG2 3.45Å; Y429-V431 VanDerWaalsContact CE2-CG2 3.45Å; Y429-K436 WeakPolarHBondContact CD1-O 3.44Å; Y429-K436 HydrophobicContact CE1-CB 4.44Å; Y429-K436 HydrophobicContact CE2-CB 4.18Å; Y429-K436 PolarHBondContact N-O 2.87Å; Y429-K436 PolarHBondContact O-N 3.5Å |
| 430 | I | 25.8 | Very low | 28.5 | Very low | 46 Ų | 46 | 89.7 Ų | 89.7 | 24% | 0.236 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 125.5 | -179.4 | -53.2 | -171.4 | 0 | 0 | 0 | 108.2 | E434 I435 R575 | I430-E434 WeakPolarHBondContact CA-O 3.35Å; I430-I435 HydrophobicContact CG1-CG1 4.31Å; I430-R575 HydrophobicContact CD1-CB 3.82Å |
| 431 | V | 26 | Very low | 28.2 | Very low | 53 Ų | 53 | 88 Ų | 88 | 32% | 0.321 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 120.5 | 170.9 | -178 | 0 | 0 | 0 | 0 | 107.3 | Y429 D433 E434 K436 | Y429-V431 HydrophobicContact CD2-CG2 3.45Å; Y429-V431 VanDerWaalsContact CD2-CG2 3.45Å; Y429-V431 HydrophobicContact CE2-CG2 3.45Å; Y429-V431 VanDerWaalsContact CE2-CG2 3.45Å; V431-D433 PolarHBondContact O-N 3.22Å; V431-E434 PolarHBondContact N-O 2.84Å; V431-E434 PolarHBondContact O-N 3.41Å; V431-E434 VanDerWaalsContact O-N 3.11Å; V431-K436 HydrophobicContact CB-CD 4.2Å; V431-K436 HydrophobicContact CG2-CD 4.38Å |
| 432 | E | 26.5 | Very low | 27.9 | Very low | 102 Ų | 102 | 89.5 Ų | 89.5 | 48% | 0.477 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 50.2 | 179 | -59.2 | -167.7 | 129.4 | 0 | 0 | 113.3 | E434 | E432-E434 PolarHBondContact O-N 2.87Š|
| 433 | D | 30.8 | Very low | 27.6 | Very low | 161 Ų | 161 | 90.7 Ų | 90.7 | 86% | 0.861 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 3.9 | -178.3 | -65 | -33.8 | 0 | 0 | 0 | 116.1 | V431 | V431-D433 PolarHBondContact O-N 3.22Š|
| 434 | E | 25.2 | Very low | 27.3 | Very low | 136 Ų | 136 | 91.7 Ų | 91.7 | 64% | 0.636 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 135.7 | 168.5 | -69.1 | -164 | 160.1 | 0 | 0 | 112.3 | I430 V431 E432 K436 | I430-E434 WeakPolarHBondContact CA-O 3.35Å; V431-E434 PolarHBondContact N-O 2.84Å; V431-E434 PolarHBondContact O-N 3.41Å; V431-E434 VanDerWaalsContact O-N 3.11Å; E432-E434 PolarHBondContact O-N 2.87Å; E434-K436 PolarHBondContact O-N 3.06Å |
| 435 | I | 28.4 | Very low | 27 | Very low | 107 Ų | 107 | 88.9 Ų | 88.9 | 55% | 0.549 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 115.8 | 176.9 | -59.5 | 173 | 0 | 0 | 0 | 108.7 | D428 I430 | D428-I435 HydrophobicContact CB-CG2 3.85Å; I430-I435 HydrophobicContact CG1-CG1 4.31Å |
| 436 | K | 31.5 | Very low | 26.8 | Very low | 61 Ų | 61 | 92.2 Ų | 92.2 | 27% | 0.265 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.3 | 174.5 | -65.1 | -166 | 178.3 | 179.4 | 0 | 111.3 | Y429 V431 E434 | Y429-K436 WeakPolarHBondContact CD1-O 3.44Å; Y429-K436 HydrophobicContact CE1-CB 4.44Å; Y429-K436 HydrophobicContact CE2-CB 4.18Å; Y429-K436 PolarHBondContact N-O 2.87Å; Y429-K436 PolarHBondContact O-N 3.5Å; V431-K436 HydrophobicContact CB-CD 4.2Å; V431-K436 HydrophobicContact CG2-CD 4.38Å; E434-K436 PolarHBondContact O-N 3.06Å |
| 437 | Q | 30.5 | Very low | 26.6 | Very low | 110 Ų | 110 | 94.9 Ų | 94.9 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 132.5 | -177.3 | -62 | -168.6 | -14.7 | 0 | 0 | 111.5 | D428 | D428-Q437 WeakPolarHBondContact OD1-CG 3.38Å |
| 438 | S | 30.8 | Very low | 26.3 | Very low | 42 Ų | 42 | 97 Ų | 97 | 29% | 0.294 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 139.9 | 167.4 | 70.9 | 0 | 0 | 0 | 0 | 111.6 | L427 | L427-S438 PolarHBondContact O-N 3.07Å; L427-S438 PolarHBondContact O-OG 3.18Å |
| 439 | I | 29.6 | Very low | 26.1 | Very low | 159 Ų | 159 | 103.6 Ų | 103.6 | 82% | 0.815 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 138.8 | 174.8 | -59.9 | 164.8 | 0 | 0 | 0 | 110.2 | T441 | I439-T441 PolarHBondContact O-N 3.04Å; I439-T441 VanDerWaalsContact O-N 3.17Å |
| 440 | L | 23.9 | Very low | 25.6 | Very low | 86 Ų | 86 | 104.1 Ų | 104.1 | 45% | 0.45 | 54% | 0.538 | S | S | . | . | trans | -48.9 | 113.2 | 177.5 | -72.8 | 154.5 | 0 | 0 | 0 | 111.6 | ||||
| 441 | T | 24.6 | Very low | 25.4 | Very low | 70 Ų | 70 | 103.9 Ų | 103.9 | 43% | 0.429 | 55% | 0.547 | S | S | . | . | trans | -84.6 | 119.9 | 165.5 | 55 | 0 | 0 | 0 | 0 | 108.8 | I439 T443 | I439-T441 PolarHBondContact O-N 3.04Å; I439-T441 VanDerWaalsContact O-N 3.17Å; T441-T443 PolarHBondContact O-N 2.64Å | ||
| 442 | E | 25.1 | Very low | 25.2 | Very low | 167 Ų | 167 | 109.9 Ų | 109.9 | 78% | 0.78 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -70.2 | -3.3 | 171.8 | -67.2 | -161.2 | 134.6 | 0 | 0 | 113.2 | R424 | R424-E442 IonicContact NH2-OE1 3.28Š|
| 443 | T | 23 | Very low | 25.2 | Very low | 104 Ų | 104 | 112.1 Ų | 112.1 | 64% | 0.638 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -96.6 | 140.8 | 176.8 | 48.8 | 0 | 0 | 0 | 0 | 111.6 | T441 P445 | T441-T443 PolarHBondContact O-N 2.64Å; T443-P445 WeakPolarHBondContact O-CD 3.35Å |
| 444 | I | 24.6 | Very low | 24.9 | Very low | 117 Ų | 117 | 108 Ų | 108 | 60% | 0.6 | 56% | 0.563 | S | S | * | * | trans | -57.5 | 113.3 | 175.4 | -60.3 | 167.4 | 0 | 0 | 0 | 108.2 | T446 | I444-T446 PolarHBondContact O-N 2.68Š| ||
| 445 | P | 21.5 | Very low | 24.8 | Very low | 48 Ų | 48 | 112 Ų | 112 | 31% | 0.312 | 57% | 0.573 | S | S | . | * | trans | -70.3 | 121.3 | -175 | -24.8 | 40.5 | 0 | 0 | 0 | 109.9 | T425 T443 | T425-P445 WeakPolarHBondContact OG1-CB 3.09Å; T425-P445 WeakPolarHBondContact OG1-CG 3.49Å; T443-P445 WeakPolarHBondContact O-CD 3.35Å | ||
| 446 | T | 22.5 | Very low | 24.7 | Very low | 122 Ų | 122 | 111.3 Ų | 111.3 | 75% | 0.748 | 57% | 0.569 | S | S | * | * | trans | -97.8 | 100.5 | 173.5 | -43.1 | 0 | 0 | 0 | 0 | 107.3 | I444 | I444-T446 PolarHBondContact O-N 2.68Š| ||
| 447 | I | 22.8 | Very low | 24.5 | Very low | 99 Ų | 99 | 117.2 Ų | 117.2 | 51% | 0.508 | 59% | 0.591 | S | S | . | * | trans | -84.4 | 116.9 | -178.7 | -56.9 | 174.5 | 0 | 0 | 0 | 108.7 | F449 | I447-F449 HydrophobicContact CB-CE2 4.49Å; I447-F449 HydrophobicContact CG2-CD2 3.79Å; I447-F449 HydrophobicContact CG2-CE2 3.39Å; I447-F449 HydrophobicContact CG2-CZ 3.92Å | ||
| 448 | I | 21.2 | Very low | 24.3 | Very low | 130 Ų | 130 | 117.4 Ų | 117.4 | 67% | 0.667 | 60% | 0.596 | S | S | * | * | trans | -107.9 | 113.6 | 178.3 | -57 | 173.9 | 0 | 0 | 0 | 108 | ||||
| 449 | F | 21.5 | Very low | 24.1 | Very low | 140 Ų | 140 | 121.7 Ų | 121.7 | 61% | 0.614 | 61% | 0.609 | S | S | * | * | trans | -93.2 | 113.5 | 178.3 | -79.8 | -82.1 | 0 | 0 | 0 | 111.9 | R24 I406 I447 | R24-F449 PolarHBondContact NH2-O 3.08Å; I406-F449 HydrophobicContact CD1-CD2 4.1Å; I406-F449 HydrophobicContact CD1-CE2 3.79Å; I447-F449 HydrophobicContact CB-CE2 4.49Å; I447-F449 HydrophobicContact CG2-CD2 3.79Å; I447-F449 HydrophobicContact CG2-CE2 3.39Å; I447-F449 HydrophobicContact CG2-CZ 3.92Å | ||
| 450 | H | 21.1 | Very low | 24 | Very low | 127 Ų | 127 | 118 Ų | 118 | 59% | 0.588 | 59% | 0.59 | S | S | * | * | trans | -96.1 | 127.1 | 166.3 | -71.7 | -71.5 | 0 | 0 | 0 | 109.6 | F506 | H450-F506 WeakPolarHBondContact O-CZ 3.34Š| ||
| 451 | G | 21.4 | Very low | 24.1 | Very low | 41 Ų | 41 | 120.2 Ų | 120.2 | 42% | 0.423 | 60% | 0.602 | S | S | . | * | trans | 151.6 | 144.6 | 173 | 0 | 0 | 0 | 0 | 0 | 115.1 | R24 | R24-G451 PolarHBondContact NH1-O 2.92Š| ||
| 452 | K | 22.3 | Very low | 24.3 | Very low | 179 Ų | 179 | 123.9 Ų | 123.9 | 78% | 0.778 | 62% | 0.615 | S | S | * | * | trans | -105.2 | 119.4 | -177.5 | -131.7 | -169.4 | 175.8 | 178.9 | 0 | 109.2 | T454 | K452-T454 VanDerWaalsContact CD-OG1 3.26Å; K452-T454 WeakPolarHBondContact CD-OG1 3.28Å; K452-T454 WeakPolarHBondContact CE-OG1 3.46Å; K452-T454 HydrophobicContact CG-CG2 4.49Å; K452-T454 VanDerWaalsContact CG-OG1 3.24Å; K452-T454 WeakPolarHBondContact CG-OG1 3.49Å | ||
| 453 | I | 25.8 | Very low | 24.5 | Very low | 148 Ų | 148 | 120.2 Ų | 120.2 | 76% | 0.759 | 60% | 0.599 | S | S | * | * | trans | -102 | 44.8 | 176 | -49.1 | 173.5 | 0 | 0 | 0 | 109.7 | ||||
| 454 | T | 25.8 | Very low | 24.7 | Very low | 76 Ų | 76 | 123.7 Ų | 123.7 | 47% | 0.466 | 60% | 0.602 | S | S | . | * | trans | -113.7 | -7.6 | -164.7 | 45 | 0 | 0 | 0 | 0 | 115.9 | K452 I456 | K452-T454 VanDerWaalsContact CD-OG1 3.26Å; K452-T454 WeakPolarHBondContact CD-OG1 3.28Å; K452-T454 WeakPolarHBondContact CE-OG1 3.46Å; K452-T454 HydrophobicContact CG-CG2 4.49Å; K452-T454 VanDerWaalsContact CG-OG1 3.24Å; K452-T454 WeakPolarHBondContact CG-OG1 3.49Å; T454-I456 VanDerWaalsContact C-N 3.34Å; T454-I456 PolarHBondContact O-N 3.35Å | ||
| 455 | R | 23.6 | Very low | 24.8 | Very low | 220 Ų | 220 | 122.9 Ų | 122.9 | 83% | 0.83 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -85.9 | 1.9 | 178.6 | -85.7 | -170.7 | 175.1 | 174 | -0.5 | 115.6 | F459 | R455-F459 PolarHBondContact O-N 3.46Å |
| 456 | I | 26.4 | Very low | 25.2 | Very low | 91 Ų | 91 | 126 Ų | 126 | 47% | 0.467 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -76 | -34.3 | 178.5 | -69.6 | 176 | 0 | 0 | 0 | 111.6 | T454 F459 I460 | T454-I456 VanDerWaalsContact C-N 3.34Å; T454-I456 PolarHBondContact O-N 3.35Å; I456-F459 PolarHBondContact O-N 3.11Å; I456-I460 HydrophobicContact CG2-CD1 3.33Å; I456-I460 HydrophobicContact CG2-CG1 3.9Å; I456-I460 VanDerWaalsContact O-CB 3.31Å; I456-I460 WeakPolarHBondContact O-CB 3.28Å; I456-I460 WeakPolarHBondContact O-CG1 3.39Å; I456-I460 PolarHBondContact O-N 3.21Å |
| 457 | Y | 25.6 | Very low | 25.6 | Very low | 185 Ų | 185 | 126.7 Ų | 126.7 | 73% | 0.725 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70 | -42 | -178.7 | -72.6 | -74.3 | 0 | 0 | 0 | 112.7 | F459 I460 D461 | Y457-F459 VanDerWaalsContact C-N 3.29Å; Y457-F459 PolarHBondContact O-N 3.48Å; Y457-I460 PolarHBondContact O-N 3.12Å; Y457-D461 PolarHBondContact O-N 2.8Å |
| 458 | D | 27.9 | Very low | 26 | Very low | 115 Ų | 115 | 131 Ų | 131 | 62% | 0.615 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.6 | -29.4 | 179.3 | -60.5 | -20.2 | 0 | 0 | 0 | 112.3 | Q462 | D458-Q462 WeakPolarHBondContact O-CG 3.39Å; D458-Q462 PolarHBondContact O-N 3.39Å |
| 459 | F | 26.7 | Very low | 26.5 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 58% | 0.575 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -84.9 | -30.9 | 177.9 | -142.7 | -107.9 | 0 | 0 | 0 | 112.6 | R455 I456 Y457 Q462 I463 | R455-F459 PolarHBondContact O-N 3.46Å; I456-F459 PolarHBondContact O-N 3.11Å; Y457-F459 VanDerWaalsContact C-N 3.29Å; Y457-F459 PolarHBondContact O-N 3.48Å; F459-Q462 PolarHBondContact O-N 3.25Å; F459-I463 HydrophobicContact CD1-CD1 3.37Å; F459-I463 HydrophobicContact CD1-CG1 4.06Å; F459-I463 HydrophobicContact CE1-CD1 3.46Å; F459-I463 VanDerWaalsContact CE1-CD1 3.46Å; F459-I463 HydrophobicContact CE1-CG1 4.14Å; F459-I463 HydrophobicContact CG-CD1 4.43Å; F459-I463 WeakPolarHBondContact O-CB 3.48Å; F459-I463 VanDerWaalsContact O-CG1 3.29Å; F459-I463 WeakPolarHBondContact O-CG1 3.12Å; F459-I463 PolarHBondContact O-N 3.31Å |
| 460 | I | 26.9 | Very low | 26.8 | Very low | 82 Ų | 82 | 137 Ų | 137 | 42% | 0.421 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -68.9 | -40.4 | 172.5 | -71.9 | -178.8 | 0 | 0 | 0 | 110.5 | I456 Y457 Q462 I463 Y464 | I456-I460 HydrophobicContact CG2-CD1 3.33Å; I456-I460 HydrophobicContact CG2-CG1 3.9Å; I456-I460 VanDerWaalsContact O-CB 3.31Å; I456-I460 WeakPolarHBondContact O-CB 3.28Å; I456-I460 WeakPolarHBondContact O-CG1 3.39Å; I456-I460 PolarHBondContact O-N 3.21Å; Y457-I460 PolarHBondContact O-N 3.12Å; I460-Q462 VanDerWaalsContact C-N 3.31Å; I460-Q462 PolarHBondContact O-N 3.24Å; I460-I463 PolarHBondContact O-N 2.97Å; I460-Y464 HydrophobicContact CG2-CD2 3.88Å; I460-Y464 HydrophobicContact CG2-CE2 4.31Å; I460-Y464 WeakPolarHBondContact O-CD2 3.28Å; I460-Y464 PolarHBondContact O-N 3.19Å; I460-Y464 VanDerWaalsContact O-N 3.13Å |
| 461 | D | 26.7 | Very low | 27.1 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -65.9 | -34.5 | 176 | -113.6 | 16.7 | 0 | 0 | 0 | 111.9 | Y457 S465 | Y457-D461 PolarHBondContact O-N 2.8Å; D461-S465 WeakPolarHBondContact O-CB 3.32Å; D461-S465 PolarHBondContact O-N 3.23Å |
| 462 | Q | 27.8 | Very low | 27.5 | Very low | 148 Ų | 148 | 142 Ų | 142 | 69% | 0.692 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -74.4 | -33.4 | 176 | -80.1 | -175.2 | -8.5 | 0 | 0 | 113.9 | D458 F459 I460 | D458-Q462 WeakPolarHBondContact O-CG 3.39Å; D458-Q462 PolarHBondContact O-N 3.39Å; F459-Q462 PolarHBondContact O-N 3.25Å; I460-Q462 VanDerWaalsContact C-N 3.31Å; I460-Q462 PolarHBondContact O-N 3.24Å |
| 463 | I | 29.1 | Very low | 27.9 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 46% | 0.456 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -77.2 | -31.8 | -179.2 | -72.4 | 176.3 | 0 | 0 | 0 | 112 | F459 I460 | F459-I463 HydrophobicContact CD1-CD1 3.37Å; F459-I463 HydrophobicContact CD1-CG1 4.06Å; F459-I463 HydrophobicContact CE1-CD1 3.46Å; F459-I463 VanDerWaalsContact CE1-CD1 3.46Å; F459-I463 HydrophobicContact CE1-CG1 4.14Å; F459-I463 HydrophobicContact CG-CD1 4.43Å; F459-I463 WeakPolarHBondContact O-CB 3.48Å; F459-I463 VanDerWaalsContact O-CG1 3.29Å; F459-I463 WeakPolarHBondContact O-CG1 3.12Å; F459-I463 PolarHBondContact O-N 3.31Å; I460-I463 PolarHBondContact O-N 2.97Å |
| 464 | Y | 28 | Very low | 27.7 | Very low | 177 Ų | 177 | 143 Ų | 143 | 69% | 0.694 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -105.4 | 10.5 | -172.8 | -64.6 | -73.8 | 0 | 0 | 0 | 114.6 | I460 T466 | I460-Y464 HydrophobicContact CG2-CD2 3.88Å; I460-Y464 HydrophobicContact CG2-CE2 4.31Å; I460-Y464 WeakPolarHBondContact O-CD2 3.28Å; I460-Y464 PolarHBondContact O-N 3.19Å; I460-Y464 VanDerWaalsContact O-N 3.13Å; Y464-T466 VanDerWaalsContact C-N 3.26Å; Y464-T466 PolarHBondContact O-N 2.9Å |
| 465 | S | 26.6 | Very low | 27.7 | Very low | 100 Ų | 100 | 144.4 Ų | 144.4 | 70% | 0.699 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 9.8 | 176.4 | -178.2 | 0 | 0 | 0 | 0 | 114.8 | D461 | D461-S465 WeakPolarHBondContact O-CB 3.32Å; D461-S465 PolarHBondContact O-N 3.23Å |
| 466 | T | 30.4 | Very low | 27.7 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | 7.1 | -175.8 | 53.5 | 0 | 0 | 0 | 0 | 116.6 | Y464 | Y464-T466 VanDerWaalsContact C-N 3.26Å; Y464-T466 PolarHBondContact O-N 2.9Å |
| 467 | D | 30.3 | Very low | 27.5 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 73% | 0.733 | 71% | 0.707 | S | S | * | * | trans | -118.2 | 99.5 | 176.5 | -88.6 | -36.1 | 0 | 0 | 0 | 112.8 | E469 | D467-E469 PolarHBondContact O-N 3.09Š| ||
| 468 | E | 31.2 | Very low | 27.3 | Very low | 189 Ų | 189 | 137.1 Ų | 137.1 | 88% | 0.883 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -4.8 | -178.9 | -74.3 | -168.6 | 145.8 | 0 | 0 | 114.9 | ||
| 469 | E | 32 | Very low | 26.9 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -5.9 | -173.6 | -71.4 | -159.7 | 146 | 0 | 0 | 116.2 | D467 S471 | D467-E469 PolarHBondContact O-N 3.09Å; E469-S471 VanDerWaalsContact C-N 3.32Å; E469-S471 PolarHBondContact O-N 3.04Å |
| 470 | Y | 27 | Very low | 26.5 | Very low | 214 Ų | 214 | 138.5 Ų | 138.5 | 84% | 0.839 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 15.5 | -176.6 | -117 | -89 | 0 | 0 | 0 | 115.7 | K472 | Y470-K472 PolarHBondContact O-N 2.85Š|
| 471 | S | 26.7 | Very low | 26.2 | Very low | 96 Ų | 96 | 144.7 Ų | 144.7 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 0.4 | -179 | 62.9 | 0 | 0 | 0 | 0 | 115.4 | E469 | E469-S471 VanDerWaalsContact C-N 3.32Å; E469-S471 PolarHBondContact O-N 3.04Å |
| 472 | K | 30.6 | Very low | 25.8 | Very low | 178 Ų | 178 | 143.4 Ų | 143.4 | 77% | 0.774 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -109.3 | -13.3 | -167.8 | -76.2 | -177.7 | 179.2 | 171 | 0 | 118.4 | Y470 | Y470-K472 PolarHBondContact O-N 2.85Š|
| 473 | N | 30.8 | Very low | 25.4 | Very low | 148 Ų | 148 | 147 Ų | 147 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | -125 | 80.1 | -178.5 | -69.9 | -24.1 | 0 | 0 | 0 | 111.8 | P475 | N473-P475 WeakPolarHBondContact O-CD 3.42Š| ||
| 474 | K | 21.7 | Very low | 24.9 | Very low | 199 Ų | 199 | 147.7 Ų | 147.7 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | trans | -80 | 117.8 | 167.2 | -80.7 | -179.6 | 175.3 | 176.2 | 0 | 110.5 | ||||
| 475 | P | 25.6 | Very low | 24.4 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | trans | -111.9 | 104.8 | 141.1 | 31.5 | -23 | 0 | 0 | 0 | 108.1 | N473 S477 | N473-P475 WeakPolarHBondContact O-CD 3.42Å; P475-S477 PolarHBondContact O-N 2.8Å | ||
| 476 | S | 23.3 | Very low | 24 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | trans | -80.1 | 51.7 | -177.5 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 477 | S | 22.2 | Very low | 23.5 | Very low | 85 Ų | 85 | 150.5 Ų | 150.5 | 59% | 0.594 | 77% | 0.768 | S | S | * | * | trans | -137.6 | 107.8 | 176.9 | 60.4 | 0 | 0 | 0 | 0 | 112 | P475 | P475-S477 PolarHBondContact O-N 2.8Š| ||
| 478 | I | 21 | Very low | 23 | Very low | 133 Ų | 133 | 153 Ų | 153 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | trans | 62.6 | 96 | 140 | -50.9 | 165.2 | 0 | 0 | 0 | 115.3 | N480 | I478-N480 VanDerWaalsContact CG2-OD1 3.25Å; I478-N480 WeakPolarHBondContact CG2-OD1 3.06Å; I478-N480 PolarHBondContact O-N 3.26Å | ||
| 479 | I | 19.7 | Very low | 22.5 | Very low | 147 Ų | 147 | 152 Ų | 152 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -88.9 | 95.5 | 158.4 | -57.2 | 176.5 | 0 | 0 | 0 | 107.1 | Y481 | I479-Y481 HydrophobicContact CG2-CD2 3.97Å; I479-Y481 HydrophobicContact CG2-CE2 3.48Å; I479-Y481 VanDerWaalsContact CG2-CE2 3.48Å | ||
| 480 | N | 19.5 | Very low | 22.1 | Very low | 127 Ų | 127 | 152.8 Ų | 152.8 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | trans | -73.1 | 125.6 | 166.3 | -74.6 | -38.8 | 0 | 0 | 0 | 109 | I478 | I478-N480 VanDerWaalsContact CG2-OD1 3.25Å; I478-N480 WeakPolarHBondContact CG2-OD1 3.06Å; I478-N480 PolarHBondContact O-N 3.26Å | ||
| 481 | Y | 19.9 | Very low | 21.9 | Very low | 213 Ų | 213 | 147.1 Ų | 147.1 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | -110.9 | 99.4 | 154.2 | -72.3 | -76.1 | 0 | 0 | 0 | 108.1 | I479 | I479-Y481 HydrophobicContact CG2-CD2 3.97Å; I479-Y481 HydrophobicContact CG2-CE2 3.48Å; I479-Y481 VanDerWaalsContact CG2-CE2 3.48Å | ||
| 482 | S | 18.9 | Very low | 21.6 | Very low | 104 Ų | 104 | 151 Ų | 151 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -120.9 | 115.2 | 165 | 56.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 483 | Y | 18.7 | Very low | 21.2 | Very low | 223 Ų | 223 | 147.8 Ų | 147.8 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 152.2 | 168.1 | -102.6 | -92.5 | 0 | 0 | 0 | 110.6 | ||
| 484 | P | 18.4 | Very low | 20.7 | Very low | 105 Ų | 105 | 150.5 Ų | 150.5 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 146.9 | -164.1 | -7.1 | 25 | 0 | 0 | 0 | 113.6 | ||
| 485 | S | 18.7 | Very low | 20.6 | Very low | 102 Ų | 102 | 145.1 Ų | 145.1 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -62 | 125.7 | 171.5 | 61.2 | 0 | 0 | 0 | 0 | 112 | ||
| 486 | F | 18.4 | Very low | 20.5 | Very low | 211 Ų | 211 | 143.7 Ų | 143.7 | 93% | 0.925 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 118.8 | 158.8 | -90.7 | -89 | 0 | 0 | 0 | 109.4 | ||
| 487 | I | 18.6 | Very low | 20.3 | Very low | 136 Ų | 136 | 143 Ų | 143 | 70% | 0.697 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 120.9 | 173.1 | -64.8 | 160.1 | 0 | 0 | 0 | 107.1 | ||
| 488 | Q | 19.7 | Very low | 20.4 | Very low | 190 Ų | 190 | 144.5 Ų | 144.5 | 89% | 0.888 | 71% | 0.71 | S | S | * | * | trans | -148.5 | 122.3 | 150.8 | -114.1 | 173.5 | 6.2 | 0 | 0 | 109.9 | ||||
| 489 | E | 21.3 | Very low | 20.5 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | trans | -66.6 | 146.1 | -174.9 | -59.4 | 168.4 | 149 | 0 | 0 | 110.1 | ||||
| 490 | Q | 24.2 | Very low | 20.8 | Very low | 197 Ų | 197 | 142.1 Ų | 142.1 | 92% | 0.921 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 90.7 | 17.2 | 159.2 | -50 | -169.9 | -9.4 | 0 | 0 | 121.8 | ||
| 491 | S | 21.1 | Very low | 21 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 66% | 0.657 | 69% | 0.69 | S | S | * | * | trans | -136.2 | 128.1 | 158.4 | 65.7 | 0 | 0 | 0 | 0 | 112.2 | M493 | S491-M493 PolarHBondContact O-N 3.11Š| ||
| 492 | K | 22.1 | Very low | 21.2 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 77% | 0.77 | 67% | 0.666 | S | S | * | * | trans | -73.3 | 48 | -178.6 | -76.2 | -172.9 | 171.3 | -168.3 | 0 | 112.3 | D413 | D413-K492 IonicContact OD2-NZ 2.74Å; D413-K492 PolarHBondContact OD2-NZ 2.85Å | ||
| 493 | M | 20.5 | Very low | 21.7 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 55% | 0.547 | 67% | 0.665 | S | S | . | * | trans | -113.5 | 94.6 | -176 | -142.2 | 178.9 | -167.2 | 0 | 0 | 108.3 | S491 I495 | S491-M493 PolarHBondContact O-N 3.11Å; M493-I495 HydrophobicContact CE-CD1 4.44Å; M493-I495 HydrophobicContact CG-CD1 4.35Å; M493-I495 HydrophobicContact CG-CG1 4.09Å; M493-I495 PolarHBondContact O-N 3.29Å; M493-I495 HydrophobicContact SD-CD1 4.07Å; M493-I495 HydrophobicContact SD-CG1 4.46Å | ||
| 494 | Y | 21.1 | Very low | 22.1 | Very low | 205 Ų | 205 | 134.1 Ų | 134.1 | 80% | 0.804 | 66% | 0.659 | S | S | * | * | trans | -90.7 | 88.2 | 167.4 | -71.8 | -76.8 | 0 | 0 | 0 | 108.4 | T496 | Y494-T496 PolarHBondContact O-N 3.36Š| ||
| 495 | I | 20.5 | Very low | 22.3 | Very low | 86 Ų | 86 | 132.1 Ų | 132.1 | 44% | 0.441 | 65% | 0.648 | S | S | . | * | trans | -78.6 | 103.5 | 167.2 | -58.2 | 172.9 | 0 | 0 | 0 | 106.2 | M493 M497 | M493-I495 HydrophobicContact CE-CD1 4.44Å; M493-I495 HydrophobicContact CG-CD1 4.35Å; M493-I495 HydrophobicContact CG-CG1 4.09Å; M493-I495 PolarHBondContact O-N 3.29Å; M493-I495 HydrophobicContact SD-CD1 4.07Å; M493-I495 HydrophobicContact SD-CG1 4.46Å; I495-M497 HydrophobicContact CG2-CG 4.32Å; I495-M497 PolarHBondContact O-N 3.02Å | ||
| 496 | T | 22.4 | Very low | 22.8 | Very low | 77 Ų | 77 | 131.2 Ų | 131.2 | 47% | 0.472 | 63% | 0.631 | S | S | . | * | trans | -88.7 | 93.7 | 170.3 | -50.8 | 0 | 0 | 0 | 0 | 107.8 | Y494 F498 | Y494-T496 PolarHBondContact O-N 3.36Å; T496-F498 HydrophobicContact CG2-CD2 4.13Å; T496-F498 HydrophobicContact CG2-CE1 4.13Å; T496-F498 HydrophobicContact CG2-CE2 3.46Å; T496-F498 VanDerWaalsContact CG2-CE2 3.46Å; T496-F498 HydrophobicContact CG2-CZ 3.47Å; T496-F498 VanDerWaalsContact CG2-CZ 3.47Å; T496-F498 PolarHBondContact O-N 3.17Å | ||
| 497 | M | 19.7 | Very low | 23.1 | Very low | 112 Ų | 112 | 125 Ų | 125 | 55% | 0.552 | 61% | 0.611 | S | S | * | * | trans | -73.8 | 118.4 | 169.8 | -99.1 | 172.3 | 46.5 | 0 | 0 | 109 | I495 | I495-M497 HydrophobicContact CG2-CG 4.32Å; I495-M497 PolarHBondContact O-N 3.02Å | ||
| 498 | F | 23.9 | Very low | 23.5 | Very low | 115 Ų | 115 | 122 Ų | 122 | 50% | 0.504 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.9 | 110.8 | 165 | -66 | -81.9 | 0 | 0 | 0 | 108.1 | T496 F500 | T496-F498 HydrophobicContact CG2-CD2 4.13Å; T496-F498 HydrophobicContact CG2-CE1 4.13Å; T496-F498 HydrophobicContact CG2-CE2 3.46Å; T496-F498 VanDerWaalsContact CG2-CE2 3.46Å; T496-F498 HydrophobicContact CG2-CZ 3.47Å; T496-F498 VanDerWaalsContact CG2-CZ 3.47Å; T496-F498 PolarHBondContact O-N 3.17Å; F498-F500 HydrophobicContact CB-CE2 3.7Å; F498-F500 HydrophobicContact CB-CZ 3.8Å |
| 499 | Q | 22.3 | Very low | 23.7 | Very low | 121 Ų | 121 | 116.9 Ų | 116.9 | 57% | 0.565 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.1 | 116.9 | 179.8 | -171.3 | 176.7 | -0.5 | 0 | 0 | 108.7 | ||
| 500 | F | 26.4 | Very low | 23.8 | Very low | 109 Ų | 109 | 113.7 Ų | 113.7 | 48% | 0.478 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.5 | 116.4 | 176.2 | -56.6 | -82.7 | 0 | 0 | 0 | 108.6 | F498 | F498-F500 HydrophobicContact CB-CE2 3.7Å; F498-F500 HydrophobicContact CB-CZ 3.8Å |
| 501 | N | 23.3 | Very low | 23.7 | Very low | 119 Ų | 119 | 111.8 Ų | 111.8 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 112.4 | 173.8 | -128.4 | 6.6 | 0 | 0 | 0 | 107.8 | ||
| 502 | M | 26 | Very low | 23.7 | Very low | 69 Ų | 69 | 113.1 Ų | 113.1 | 34% | 0.34 | 55% | 0.55 | S | S | . | . | trans | -89.7 | 110.7 | 179.8 | -65.2 | -71.2 | -72.5 | 0 | 0 | 109 | Q504 F506 | M502-Q504 VanDerWaalsContact C-N 3.33Å; M502-F506 HydrophobicContact CE-CB 3.42Å; M502-F506 VanDerWaalsContact CE-CB 3.42Å; M502-F506 HydrophobicContact CE-CD1 4.41Å; M502-F506 HydrophobicContact CE-CD2 4.37Å; M502-F506 HydrophobicContact CE-CG 3.83Å | ||
| 503 | E | 29 | Very low | 23.7 | Very low | 153 Ų | 153 | 115.1 Ų | 115.1 | 72% | 0.715 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -79.2 | -12.3 | -178.2 | -67.9 | -175.1 | 168.8 | 0 | 0 | 113.7 | H572 | E503-H572 PolarHBondContact O-CD2 3.01Å; E503-H572 PolarHBondContact O-NE2 2.89Å; E503-H572 VanDerWaalsContact O-NE2 3.12Å |
| 504 | Q | 25.8 | Very low | 23.7 | Very low | 159 Ų | 159 | 118.7 Ų | 118.7 | 74% | 0.743 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -140 | 149.3 | 176.4 | -68.4 | -174.8 | -9.3 | 0 | 0 | 110.5 | M502 F506 | M502-Q504 VanDerWaalsContact C-N 3.33Å; Q504-F506 PolarHBondContact O-N 3.05Å |
| 505 | S | 23.3 | Very low | 23.6 | Very low | 63 Ų | 63 | 115.8 Ų | 115.8 | 44% | 0.441 | 56% | 0.564 | S | S | . | * | trans | -58 | 126.9 | 176.6 | 43.6 | 0 | 0 | 0 | 0 | 110.2 | L570 | S505-L570 WeakPolarHBondContact CA-O 3.21Å; S505-L570 WeakPolarHBondContact CB-O 3.5Å | ||
| 506 | F | 28.6 | Very low | 23.6 | Very low | 82 Ų | 82 | 123 Ų | 123 | 36% | 0.36 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.5 | 113.5 | -177.3 | -174.7 | -98.8 | 0 | 0 | 0 | 108.7 | H450 M502 Q504 F508 | H450-F506 WeakPolarHBondContact O-CZ 3.34Å; M502-F506 HydrophobicContact CE-CB 3.42Å; M502-F506 VanDerWaalsContact CE-CB 3.42Å; M502-F506 HydrophobicContact CE-CD1 4.41Å; M502-F506 HydrophobicContact CE-CD2 4.37Å; M502-F506 HydrophobicContact CE-CG 3.83Å; Q504-F506 PolarHBondContact O-N 3.05Å; F506-F508 HydrophobicContact CD1-CB 3.96Å; F506-F508 HydrophobicContact CE1-CB 3.77Å; F506-F508 PolarHBondContact O-N 2.84Å |
| 507 | P | 24.5 | Very low | 23.6 | Very low | 80 Ų | 80 | 124.3 Ų | 124.3 | 52% | 0.519 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.6 | 124.9 | 170.9 | 28.6 | -29.6 | 0 | 0 | 0 | 108.3 | ||
| 508 | F | 28.5 | Very low | 23.5 | Very low | 73 Ų | 73 | 129.3 Ų | 129.3 | 32% | 0.32 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.1 | 150.4 | 169.3 | 75.8 | -73.7 | 0 | 0 | 0 | 109.9 | F506 I510 L570 | F506-F508 HydrophobicContact CD1-CB 3.96Å; F506-F508 HydrophobicContact CE1-CB 3.77Å; F506-F508 PolarHBondContact O-N 2.84Å; F508-I510 HydrophobicContact CD2-CG1 3.98Å; F508-I510 HydrophobicContact CE2-CD1 3.63Å; F508-I510 HydrophobicContact CE2-CG1 3.41Å; F508-I510 VanDerWaalsContact CE2-CG1 3.41Å; F508-I510 HydrophobicContact CZ-CD1 3.96Å; F508-I510 HydrophobicContact CZ-CG1 4.18Å; F508-L570 HydrophobicContact CD1-CD1 4.04Å; F508-L570 HydrophobicContact CE1-CD1 3.31Å; F508-L570 HydrophobicContact CE1-CG 3.78Å; F508-L570 HydrophobicContact CZ-CD1 4.01Å |
| 509 | M | 23.8 | Very low | 23.5 | Very low | 84 Ų | 84 | 131.8 Ų | 131.8 | 41% | 0.414 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.5 | 126.9 | -178.1 | -65.6 | -123 | -62.5 | 0 | 0 | 109.2 | Y565 | M509-Y565 HydrophobicContact CE-CD1 3.28Å; M509-Y565 HydrophobicContact CE-CD2 4.49Å; M509-Y565 HydrophobicContact CE-CE1 3.55Å; M509-Y565 HydrophobicContact CE-CG 3.82Å; M509-Y565 HydrophobicContact SD-CD1 3.58Å; M509-Y565 VanDerWaalsContact SD-CD1 3.58Å; M509-Y565 HydrophobicContact SD-CD2 4.43Å; M509-Y565 HydrophobicContact SD-CE1 4.42Å; M509-Y565 HydrophobicContact SD-CG 3.6Å; M509-Y565 VanDerWaalsContact SD-CG 3.6Å |
| 510 | I | 22.9 | Very low | 23.4 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 52% | 0.523 | 63% | 0.632 | S | S | . | * | trans | -100.3 | 118.8 | 167.1 | -58.7 | 178.5 | 0 | 0 | 0 | 106.5 | F508 P512 L568 | F508-I510 HydrophobicContact CD2-CG1 3.98Å; F508-I510 HydrophobicContact CE2-CD1 3.63Å; F508-I510 HydrophobicContact CE2-CG1 3.41Å; F508-I510 VanDerWaalsContact CE2-CG1 3.41Å; F508-I510 HydrophobicContact CZ-CD1 3.96Å; F508-I510 HydrophobicContact CZ-CG1 4.18Å; I510-P512 WeakPolarHBondContact O-CD 3.45Å; I510-L568 HydrophobicContact CD1-CD1 4.02Å | ||
| 511 | Y | 21.7 | Very low | 23.2 | Very low | 157 Ų | 157 | 134.6 Ų | 134.6 | 62% | 0.616 | 65% | 0.647 | S | S | * | * | trans | -80.6 | 113.5 | 169.1 | -71.1 | -88.6 | 0 | 0 | 0 | 108.3 | Y513 | Y511-Y513 PolarHBondContact O-N 2.96Š| ||
| 512 | P | 21.3 | Very low | 23 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 65% | 0.654 | S | S | * | * | trans | -69.7 | 97.8 | 168.4 | 28 | -30.5 | 0 | 0 | 0 | 107.9 | I510 K514 | I510-P512 WeakPolarHBondContact O-CD 3.45Å; P512-K514 VanDerWaalsContact C-N 3.34Å; P512-K514 PolarHBondContact O-N 2.84Å | ||
| 513 | Y | 21.6 | Very low | 22.8 | Very low | 219 Ų | 219 | 137.7 Ų | 137.7 | 86% | 0.859 | 67% | 0.67 | S | S | * | * | trans | -64.1 | 97.3 | 166.4 | -97.6 | -91.3 | 0 | 0 | 0 | 107.9 | Y511 L515 | Y511-Y513 PolarHBondContact O-N 2.96Å; Y513-L515 PolarHBondContact O-N 3.38Å | ||
| 514 | K | 20.2 | Very low | 22.6 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 81% | 0.813 | 68% | 0.678 | S | S | * | * | trans | -70.3 | 115.2 | 165.9 | -121.8 | 178.4 | -179.8 | -179.7 | 0 | 107.2 | P512 W516 | P512-K514 VanDerWaalsContact C-N 3.34Å; P512-K514 PolarHBondContact O-N 2.84Å; K514-W516 PolarHBondContact O-N 2.86Å | ||
| 515 | L | 21 | Very low | 22.4 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 75% | 0.749 | 68% | 0.677 | S | S | * | * | trans | -52.7 | 109.5 | 172.9 | -82.7 | 96.2 | 0 | 0 | 0 | 109.4 | Y513 T517 | Y513-L515 PolarHBondContact O-N 3.38Å; L515-T517 VanDerWaalsContact C-N 3.25Å; L515-T517 HydrophobicContact CB-CG2 4.36Å; L515-T517 HydrophobicContact CD2-CG2 3.9Å; L515-T517 PolarHBondContact O-N 3.36Å; L515-T517 VanDerWaalsContact O-N 3.11Å | ||
| 516 | W | 20.3 | Very low | 22.3 | Very low | 239 Ų | 239 | 144.2 Ų | 144.2 | 91% | 0.905 | 70% | 0.698 | S | S | * | * | trans | -79 | 86.5 | 157 | -81 | 66.6 | 0 | 0 | 0 | 107.3 | K514 | K514-W516 PolarHBondContact O-N 2.86Š| ||
| 517 | T | 20.9 | Very low | 22 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 64% | 0.638 | 71% | 0.713 | S | S | * | * | trans | -109.7 | 89.6 | 162.2 | 51.2 | 0 | 0 | 0 | 0 | 108.1 | L515 | L515-T517 VanDerWaalsContact C-N 3.25Å; L515-T517 HydrophobicContact CB-CG2 4.36Å; L515-T517 HydrophobicContact CD2-CG2 3.9Å; L515-T517 PolarHBondContact O-N 3.36Å; L515-T517 VanDerWaalsContact O-N 3.11Å | ||
| 518 | R | 19.3 | Very low | 22 | Very low | 217 Ų | 217 | 146.3 Ų | 146.3 | 82% | 0.819 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 172.4 | 138.6 | 139.3 | -101.9 | 171.8 | 169.4 | 169.2 | -5.1 | 109.5 | ||
| 519 | E | 22.2 | Very low | 21.6 | Very low | 167 Ų | 167 | 154 Ų | 154 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | trans | 77 | 74.4 | 157.2 | -62.4 | 164.3 | -151.3 | 0 | 0 | 118.3 | ||||
| 520 | V | 21.9 | Very low | 21.5 | Very low | 135 Ų | 135 | 155.3 Ų | 155.3 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | -150.5 | 66.8 | 124.5 | -167.1 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 521 | I | 20.7 | Very low | 21.4 | Very low | 154 Ų | 154 | 159.8 Ų | 159.8 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -103.9 | 84.8 | 143.3 | -60.3 | 175 | 0 | 0 | 0 | 103 | P523 | I521-P523 VanDerWaalsContact O-CD 3.22Å; I521-P523 WeakPolarHBondContact O-CD 3.33Å | ||
| 522 | N | 20.1 | Very low | 21.3 | Very low | 149 Ų | 149 | 159 Ų | 159 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -73.2 | 111.7 | 157.9 | -103.9 | -14.4 | 0 | 0 | 0 | 105.7 | I524 | N522-I524 PolarHBondContact O-N 2.97Š| ||
| 523 | P | 22.3 | Very low | 21.2 | Very low | 103 Ų | 103 | 158.3 Ų | 158.3 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | trans | -69.8 | 135.2 | -178.5 | -11.2 | 28 | 0 | 0 | 0 | 109.1 | I521 E525 | I521-P523 VanDerWaalsContact O-CD 3.22Å; I521-P523 WeakPolarHBondContact O-CD 3.33Å; P523-E525 PolarHBondContact O-N 2.66Å | ||
| 524 | I | 23.4 | Very low | 21.2 | Very low | 170 Ų | 170 | 158 Ų | 158 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | -41.6 | 124.1 | 164.6 | -67.7 | 160.9 | 0 | 0 | 0 | 109.3 | N522 | N522-I524 PolarHBondContact O-N 2.97Š| ||
| 525 | E | 21.7 | Very low | 21.2 | Very low | 158 Ų | 158 | 156.9 Ų | 156.9 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -52.9 | 144.8 | 175.3 | -67.7 | 178.8 | 144.7 | 0 | 0 | 112.5 | P523 | P523-E525 PolarHBondContact O-N 2.66Š|
| 526 | Q | 21.9 | Very low | 21.3 | Very low | 185 Ų | 185 | 154.6 Ų | 154.6 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | 73.5 | 97 | 152.1 | -64.7 | 166.3 | 20 | 0 | 0 | 117.9 | ||||
| 527 | G | 22.7 | Very low | 21.3 | Very low | 66 Ų | 66 | 147.5 Ų | 147.5 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | -175 | 72 | 165 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 528 | T | 23.1 | Very low | 21.3 | Very low | 139 Ų | 139 | 154.3 Ų | 154.3 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | 42.6 | 101.7 | 151.4 | 53.5 | 0 | 0 | 0 | 0 | 118.7 | P530 | T528-P530 WeakPolarHBondContact O-CD 3.36Š| ||
| 529 | Y | 20.4 | Very low | 21.3 | Very low | 235 Ų | 235 | 149.7 Ų | 149.7 | 92% | 0.922 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 130.4 | 162.7 | -87.5 | -92.9 | 0 | 0 | 0 | 111.7 | ||
| 530 | P | 21.9 | Very low | 21.2 | Very low | 112 Ų | 112 | 148.6 Ų | 148.6 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 136.6 | 149.9 | 5.4 | 15.1 | 0 | 0 | 0 | 110 | T528 | T528-P530 WeakPolarHBondContact O-CD 3.36Š|
| 531 | E | 19.9 | Very low | 21.1 | Very low | 196 Ų | 196 | 148.6 Ų | 148.6 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53 | 123.8 | -179.8 | -61.5 | 162 | 151.2 | 0 | 0 | 113.1 | ||
| 532 | I | 20.7 | Very low | 21.1 | Very low | 140 Ų | 140 | 151.7 Ų | 151.7 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | trans | -134.1 | 107.6 | 156.7 | -56 | 179.5 | 0 | 0 | 0 | 108 | Y534 | I532-Y534 HydrophobicContact CG2-CD2 4.11Å; I532-Y534 HydrophobicContact CG2-CE2 3.83Å | ||
| 533 | S | 18.6 | Very low | 21 | Very low | 107 Ų | 107 | 151.4 Ų | 151.4 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -67.2 | 123.9 | 171.5 | 53.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 534 | Y | 22 | Very low | 20.9 | Very low | 212 Ų | 212 | 154.2 Ų | 154.2 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -122.9 | 96.2 | 154.3 | -83.5 | -76.8 | 0 | 0 | 0 | 109.1 | I532 S536 | I532-Y534 HydrophobicContact CG2-CD2 4.11Å; I532-Y534 HydrophobicContact CG2-CE2 3.83Å; Y534-S536 PolarHBondContact O-N 3.1Å | ||
| 535 | D | 20.3 | Very low | 20.6 | Very low | 163 Ų | 163 | 153 Ų | 153 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -61.9 | 111.1 | 153.3 | -86.1 | -39.7 | 0 | 0 | 0 | 108.6 | ||||
| 536 | S | 23 | Very low | 20.5 | Very low | 95 Ų | 95 | 150.2 Ų | 150.2 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | trans | -160.4 | 109.6 | 143.3 | 51.6 | 0 | 0 | 0 | 0 | 110.3 | Y534 W538 | Y534-S536 PolarHBondContact O-N 3.1Å; S536-W538 PolarHBondContact O-N 3.19Å | ||
| 537 | A | 20.3 | Very low | 20.4 | Very low | 91 Ų | 91 | 151.3 Ų | 151.3 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -64.6 | 119.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 538 | W | 20.4 | Very low | 20.2 | Very low | 246 Ų | 246 | 154 Ų | 154 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | trans | -126.2 | 86.7 | 155.4 | -74.6 | 70 | 0 | 0 | 0 | 107.7 | S536 | S536-W538 PolarHBondContact O-N 3.19Š| ||
| 539 | T | 21 | Very low | 20 | Very low | 120 Ų | 120 | 156.7 Ų | 156.7 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -103.7 | 121.5 | 159 | 41.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 540 | L | 19.2 | Very low | 20 | Very low | 144 Ų | 144 | 152 Ų | 152 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | 167.8 | 112.5 | 137.4 | -115 | 71.2 | 0 | 0 | 0 | 111.3 | ||||
| 541 | D | 20.6 | Very low | 19.8 | Very low | 135 Ų | 135 | 155.2 Ų | 155.2 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | 39.6 | 104.6 | 123.9 | -54.7 | -24.3 | 0 | 0 | 0 | 119.8 | |||||
| 542 | Y | 20.1 | Very low | 19.8 | Very low | 219 Ų | 219 | 154.7 Ų | 154.7 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | trans | -143.9 | 112.2 | 139 | -85.5 | -73.1 | 0 | 0 | 0 | 111.9 | ||||
| 543 | L | 18.6 | Very low | 19.7 | Very low | 143 Ų | 143 | 156 Ų | 156 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | 63.4 | 99.5 | 133.2 | -68.9 | 165.8 | 0 | 0 | 0 | 120.3 | ||||
| 544 | L | 18.2 | Very low | 19.7 | Very low | 162 Ų | 162 | 160.4 Ų | 160.4 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -42.4 | 124.6 | 137.5 | -74.3 | 129.2 | 0 | 0 | 0 | 112.3 | ||||
| 545 | I | 18.6 | Very low | 19.6 | Very low | 144 Ų | 144 | 160.8 Ų | 160.8 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -130.1 | 115.3 | 145.8 | -59.6 | -179.2 | 0 | 0 | 0 | 107.4 | ||||
| 546 | P | 19.6 | Very low | 19.5 | Very low | 100 Ų | 100 | 158.3 Ų | 158.3 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | trans | -83.2 | 127.6 | -175.2 | 31.3 | -31.2 | 0 | 0 | 0 | 111.5 | N548 | P546-N548 PolarHBondContact O-N 3.42Š| ||
| 547 | F | 19.2 | Very low | 19.4 | Very low | 208 Ų | 208 | 161 Ų | 161 | 91% | 0.912 | 78% | 0.78 | S | S | * | * | trans | -85.4 | 97.2 | 165.6 | -90.5 | -87.8 | 0 | 0 | 0 | 109.1 | ||||
| 548 | N | 18.9 | Very low | 19.5 | Very low | 124 Ų | 124 | 162.7 Ų | 162.7 | 66% | 0.663 | 78% | 0.784 | S | S | * | * | trans | -100.3 | 147 | 158.1 | -84.4 | -21.9 | 0 | 0 | 0 | 108.9 | P546 | P546-N548 PolarHBondContact O-N 3.42Š| ||
| 549 | Y | 19.3 | Very low | 19.5 | Very low | 195 Ų | 195 | 157.9 Ų | 157.9 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | 84.2 | 107.2 | 170.8 | -54.3 | -77.9 | 0 | 0 | 0 | 117.7 | ||||
| 550 | L | 19.2 | Very low | 19.7 | Very low | 135 Ų | 135 | 159.4 Ų | 159.4 | 71% | 0.707 | 78% | 0.777 | S | S | * | * | -173.9 | 96.6 | 116.5 | -93.4 | 147.6 | 0 | 0 | 0 | 109.9 | Y552 | L550-Y552 HydrophobicContact CB-CD2 4.42Å; L550-Y552 HydrophobicContact CB-CE2 4.05Å; L550-Y552 HydrophobicContact CD2-CD2 4.4Å; L550-Y552 HydrophobicContact CD2-CE2 3.41Å; L550-Y552 VanDerWaalsContact CD2-CE2 3.41Å; L550-Y552 VanDerWaalsContact CD2-OH 3.3Å; L550-Y552 WeakPolarHBondContact CD2-OH 3.26Å; L550-Y552 HydrophobicContact CG-CE2 4.25Å | |||
| 551 | F | 18.5 | Very low | 19.8 | Very low | 181 Ų | 181 | 161.6 Ų | 161.6 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -66 | 130.8 | 164.3 | -73.9 | -98.8 | 0 | 0 | 0 | 109.6 | ||||
| 552 | Y | 19.6 | Very low | 19.9 | Very low | 184 Ų | 184 | 161.2 Ų | 161.2 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -137.9 | 118.1 | 162.7 | -76.1 | -70.5 | 0 | 0 | 0 | 111.3 | L550 | L550-Y552 HydrophobicContact CB-CD2 4.42Å; L550-Y552 HydrophobicContact CB-CE2 4.05Å; L550-Y552 HydrophobicContact CD2-CD2 4.4Å; L550-Y552 HydrophobicContact CD2-CE2 3.41Å; L550-Y552 VanDerWaalsContact CD2-CE2 3.41Å; L550-Y552 VanDerWaalsContact CD2-OH 3.3Å; L550-Y552 WeakPolarHBondContact CD2-OH 3.26Å; L550-Y552 HydrophobicContact CG-CE2 4.25Å | ||
| 553 | H | 18.3 | Very low | 20.2 | Very low | 168 Ų | 168 | 155 Ų | 155 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 120.3 | 171.7 | -74.1 | -66.2 | 0 | 0 | 0 | 110.6 | ||
| 554 | F | 19.9 | Very low | 20.4 | Very low | 200 Ų | 200 | 156.1 Ų | 156.1 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 117.1 | 160.2 | -76.1 | -82.3 | 0 | 0 | 0 | 108.8 | S556 | F554-S556 PolarHBondContact O-N 3.14Š|
| 555 | Y | 19.6 | Very low | 20.7 | Very low | 219 Ų | 219 | 154.6 Ų | 154.6 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 126 | 169 | -80 | -87.7 | 0 | 0 | 0 | 110.2 | L557 | Y555-L557 PolarHBondContact O-N 3.09Š|
| 556 | S | 18.6 | Very low | 20.9 | Very low | 112 Ų | 112 | 154.4 Ų | 154.4 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 123.2 | 171.5 | 56.8 | 0 | 0 | 0 | 0 | 111.9 | F554 | F554-S556 PolarHBondContact O-N 3.14Š|
| 557 | L | 20.3 | Very low | 21 | Very low | 151 Ų | 151 | 153.9 Ų | 153.9 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | -108.8 | 139.6 | 142.2 | -86.1 | 165.6 | 0 | 0 | 0 | 107.1 | Y555 I559 | Y555-L557 PolarHBondContact O-N 3.09Å; L557-I559 PolarHBondContact O-N 2.96Å | ||
| 558 | P | 21.6 | Very low | 21.2 | Very low | 126 Ų | 126 | 148.5 Ų | 148.5 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -76.3 | 88.4 | -170.6 | 31.2 | -33.1 | 0 | 0 | 0 | 109.8 | ||||
| 559 | I | 21.6 | Very low | 21.5 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | trans | -115.2 | 99.3 | 165.8 | -59.1 | 177.8 | 0 | 0 | 0 | 106.7 | L557 E561 | L557-I559 PolarHBondContact O-N 2.96Å; I559-E561 PolarHBondContact O-N 3Å | ||
| 560 | I | 24 | Very low | 21.8 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 78% | 0.779 | 70% | 0.701 | S | S | * | * | trans | 1.2 | 90.1 | 159.5 | -54.1 | 168.3 | 0 | 0 | 0 | 112.5 | I562 | I560-I562 PolarHBondContact O-N 3.15Š| ||
| 561 | E | 21.7 | Very low | 22 | Very low | 189 Ų | 189 | 141.2 Ų | 141.2 | 88% | 0.883 | 70% | 0.698 | S | S | * | * | trans | -65.8 | 111.2 | 177.6 | -70.3 | 175.5 | 161.1 | 0 | 0 | 109.6 | I559 | I559-E561 PolarHBondContact O-N 3Š| ||
| 562 | I | 23.7 | Very low | 22.1 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 66% | 0.656 | 69% | 0.692 | S | S | * | * | trans | -103.6 | 122.6 | 163.6 | -51.9 | 173.2 | 0 | 0 | 0 | 105.5 | I560 Y565 | I560-I562 PolarHBondContact O-N 3.15Å; I562-Y565 HydrophobicContact CG2-CD2 4.47Å; I562-Y565 HydrophobicContact CG2-CE2 4.48Å | ||
| 563 | D | 24.6 | Very low | 22.3 | Very low | 87 Ų | 87 | 132.8 Ų | 132.8 | 47% | 0.465 | 68% | 0.679 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -36.3 | 129.2 | -173.4 | -60.3 | -65.8 | 0 | 0 | 0 | 115.3 | Y565 K653 | D563-Y565 VanDerWaalsContact C-N 3.32Å; D563-Y565 WeakPolarHBondContact O-CD2 3.45Å; D563-Y565 WeakPolarHBondContact O-CE2 3.3Å; D563-Y565 PolarHBondContact O-N 3.15Å; D563-K653 IonicContact OD1-NZ 3.71Å; D563-K653 PolarHBondContact OD1-NZ 2.74Å |
| 564 | N | 24.4 | Very low | 22.6 | Very low | 168 Ų | 168 | 126.5 Ų | 126.5 | 90% | 0.898 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.2 | 19.8 | 156 | -64.7 | -9.2 | 0 | 0 | 0 | 120.2 | ||
| 565 | Y | 23.1 | Very low | 22.8 | Very low | 129 Ų | 129 | 123.6 Ų | 123.6 | 51% | 0.506 | 64% | 0.637 | S | S | . | * | trans | -105.2 | 133.8 | 171.3 | -54.9 | -64.1 | 0 | 0 | 0 | 110.7 | M509 I562 D563 P567 | M509-Y565 HydrophobicContact CE-CD1 3.28Å; M509-Y565 HydrophobicContact CE-CD2 4.49Å; M509-Y565 HydrophobicContact CE-CE1 3.55Å; M509-Y565 HydrophobicContact CE-CG 3.82Å; M509-Y565 HydrophobicContact SD-CD1 3.58Å; M509-Y565 VanDerWaalsContact SD-CD1 3.58Å; M509-Y565 HydrophobicContact SD-CD2 4.43Å; M509-Y565 HydrophobicContact SD-CE1 4.42Å; M509-Y565 HydrophobicContact SD-CG 3.6Å; M509-Y565 VanDerWaalsContact SD-CG 3.6Å; I562-Y565 HydrophobicContact CG2-CD2 4.47Å; I562-Y565 HydrophobicContact CG2-CE2 4.48Å; D563-Y565 VanDerWaalsContact C-N 3.32Å; D563-Y565 WeakPolarHBondContact O-CD2 3.45Å; D563-Y565 WeakPolarHBondContact O-CE2 3.3Å; D563-Y565 PolarHBondContact O-N 3.15Å; Y565-P567 VanDerWaalsContact C-CD 3.47Å; Y565-P567 WeakPolarHBondContact O-CD 3.48Å | ||
| 566 | I | 23.3 | Very low | 23.2 | Very low | 140 Ų | 140 | 115.5 Ų | 115.5 | 72% | 0.718 | 61% | 0.608 | S | S | * | * | trans | -93.5 | 95 | 165.2 | -56.4 | 174.4 | 0 | 0 | 0 | 106.5 | L568 | I566-L568 HydrophobicContact CG2-CG 4.49Å; I566-L568 PolarHBondContact O-N 3.22Å; I566-L568 VanDerWaalsContact O-N 3.1Å | ||
| 567 | P | 22.4 | Very low | 23.5 | Very low | 90 Ų | 90 | 111.1 Ų | 111.1 | 58% | 0.584 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.3 | 107.3 | 169.9 | 27.8 | -33 | 0 | 0 | 0 | 108.5 | Y565 Q569 | Y565-P567 VanDerWaalsContact C-CD 3.47Å; Y565-P567 WeakPolarHBondContact O-CD 3.48Å; P567-Q569 PolarHBondContact O-N 2.94Å |
| 568 | L | 23.3 | Very low | 23.7 | Very low | 94 Ų | 94 | 105.5 Ų | 105.5 | 49% | 0.492 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 110.9 | 164.2 | -81.5 | 158.5 | 0 | 0 | 0 | 107.7 | I510 I566 | I510-L568 HydrophobicContact CD1-CD1 4.02Å; I566-L568 HydrophobicContact CG2-CG 4.49Å; I566-L568 PolarHBondContact O-N 3.22Å; I566-L568 VanDerWaalsContact O-N 3.1Å |
| 569 | Q | 24.2 | Very low | 23.9 | Very low | 130 Ų | 130 | 102.6 Ų | 102.6 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 108.7 | 167.9 | -100.6 | -178.5 | -17.5 | 0 | 0 | 108.7 | P567 L571 | P567-Q569 PolarHBondContact O-N 2.94Å; Q569-L571 PolarHBondContact O-N 3.14Å |
| 570 | L | 25 | Very low | 24.1 | Very low | 50 Ų | 50 | 99.5 Ų | 99.5 | 26% | 0.262 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 121.1 | 162.4 | -82.2 | 162.9 | 0 | 0 | 0 | 108 | S505 F508 I576 | S505-L570 WeakPolarHBondContact CA-O 3.21Å; S505-L570 WeakPolarHBondContact CB-O 3.5Å; F508-L570 HydrophobicContact CD1-CD1 4.04Å; F508-L570 HydrophobicContact CE1-CD1 3.31Å; F508-L570 HydrophobicContact CE1-CG 3.78Å; F508-L570 HydrophobicContact CZ-CD1 4.01Å; L570-I576 HydrophobicContact CD1-CD1 4.19Å |
| 571 | L | 23.7 | Very low | 24.1 | Very low | 122 Ų | 122 | 97.1 Ų | 97.1 | 64% | 0.639 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 159.6 | -178.5 | -68.6 | 169.1 | 0 | 0 | 0 | 110.8 | Q569 G573 S574 | Q569-L571 PolarHBondContact O-N 3.14Å; L571-G573 PolarHBondContact O-N 2.84Å; L571-S574 PolarHBondContact N-OG 2.95Å; L571-S574 WeakPolarHBondContact O-CB 3.24Å; L571-S574 PolarHBondContact O-N 2.83Å; L571-S574 VanDerWaalsContact O-N 3.11Å; L571-S574 PolarHBondContact O-OG 3.47Å |
| 572 | H | 22.2 | Very low | 24.4 | Very low | 144 Ų | 144 | 92.8 Ų | 92.8 | 67% | 0.667 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 129.4 | 175.1 | -174.6 | -68.9 | 0 | 0 | 0 | 110.9 | E503 | E503-H572 PolarHBondContact O-CD2 3.01Å; E503-H572 PolarHBondContact O-NE2 2.89Å; E503-H572 VanDerWaalsContact O-NE2 3.12Å |
| 573 | G | 23 | Very low | 24.6 | Very low | 44 Ų | 44 | 89.3 Ų | 89.3 | 45% | 0.454 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -3.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L571 | L571-G573 PolarHBondContact O-N 2.84Š|
| 574 | S | 24.7 | Very low | 24.8 | Very low | 35 Ų | 35 | 90.6 Ų | 90.6 | 25% | 0.245 | 47% | 0.469 | C | S | . | . | trans | -63.9 | 134.8 | 171.7 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | L571 | L571-S574 PolarHBondContact N-OG 2.95Å; L571-S574 WeakPolarHBondContact O-CB 3.24Å; L571-S574 PolarHBondContact O-N 2.83Å; L571-S574 VanDerWaalsContact O-N 3.11Å; L571-S574 PolarHBondContact O-OG 3.47Å | ||
| 575 | R | 24.6 | Very low | 24.9 | Very low | 139 Ų | 139 | 87.9 Ų | 87.9 | 53% | 0.525 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 134.1 | -179.8 | -63.9 | 174.5 | 174.8 | 171.3 | -0.1 | 110.1 | I430 | I430-R575 HydrophobicContact CD1-CB 3.82Å |
| 576 | I | 27.7 | Very low | 25.1 | Very low | 50 Ų | 50 | 91.3 Ų | 91.3 | 26% | 0.256 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127.1 | 168.4 | -62.3 | 172.4 | 0 | 0 | 0 | 107.7 | L427 L570 | L427-I576 HydrophobicContact CD2-CG2 4.1Å; L570-I576 HydrophobicContact CD1-CD1 4.19Å |
| 577 | S | 24.2 | Very low | 25.3 | Very low | 19 Ų | 19 | 90.1 Ų | 90.1 | 13% | 0.133 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 132.7 | 177.7 | 32.1 | 0 | 0 | 0 | 0 | 109.9 | D428 | D428-S577 PolarHBondContact N-O 3.41Å; D428-S577 VanDerWaalsContact N-O 3.14Å; D428-S577 PolarHBondContact O-N 2.87Å; D428-S577 PolarHBondContact O-OG 3.44Å |
| 578 | L | 25.4 | Very low | 25.4 | Very low | 34 Ų | 34 | 91.5 Ų | 91.5 | 18% | 0.178 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118.9 | 180 | -130.8 | 144.7 | 0 | 0 | 0 | 108.3 | T425 L427 | T425-L578 HydrophobicContact CG2-CD2 3.64Å; L427-L578 HydrophobicContact CD2-CD1 4.34Å |
| 579 | Q | 24.4 | Very low | 25.4 | Very low | 65 Ų | 65 | 92.1 Ų | 92.1 | 30% | 0.304 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.6 | 176.1 | -70.6 | -170.9 | 7.3 | 0 | 0 | 110.2 | D428 | D428-Q579 WeakPolarHBondContact OD2-CG 3.24Å; D428-Q579 PolarHBondContact OD2-NE2 2.93Å; D428-Q579 PolarHBondContact OD2-OE1 3.48Å |
| 580 | V | 25.6 | Very low | 25.5 | Very low | 80 Ų | 80 | 95.5 Ų | 95.5 | 49% | 0.485 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 119 | 176.3 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | ||
| 581 | Y | 24.6 | Very low | 25.4 | Very low | 102 Ų | 102 | 99.8 Ų | 99.8 | 40% | 0.4 | 53% | 0.53 | S | S | . | . | trans | -102.8 | 141.8 | -174.6 | -153 | -92.5 | 0 | 0 | 0 | 111.9 | ||||
| 582 | N | 28.1 | Very low | 25.4 | Very low | 98 Ų | 98 | 101.7 Ų | 101.7 | 52% | 0.524 | 54% | 0.539 | S | S | . | . | trans | -96.9 | 111 | 171.3 | -177.4 | -10.9 | 0 | 0 | 0 | 109 | N584 | N582-N584 PolarHBondContact O-N 3.24Å; N582-N584 VanDerWaalsContact O-N 3.09Å | ||
| 583 | P | 28.4 | Very low | 25.4 | Very low | 55 Ų | 55 | 102.9 Ų | 102.9 | 36% | 0.357 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -76.2 | 6.3 | -166.4 | 29.2 | -34.1 | 0 | 0 | 0 | 115.7 | L422 L585 | L422-P583 HydrophobicContact CD2-CG 4.19Å; P583-L585 PolarHBondContact O-N 2.91Å; P583-L585 VanDerWaalsContact O-N 3.12Å |
| 584 | N | 28.4 | Very low | 25.4 | Very low | 114 Ų | 114 | 109.5 Ų | 109.5 | 61% | 0.61 | 56% | 0.564 | S | S | * | * | trans | -81.8 | 28.7 | 176.8 | -71.2 | -39.5 | 0 | 0 | 0 | 114.2 | N582 | N582-N584 PolarHBondContact O-N 3.24Å; N582-N584 VanDerWaalsContact O-N 3.09Å | ||
| 585 | L | 26.5 | Very low | 25.2 | Very low | 112 Ų | 112 | 112.4 Ų | 112.4 | 59% | 0.586 | 58% | 0.582 | S | S | * | * | trans | -116.3 | 118.3 | 170.9 | -77.1 | 166.1 | 0 | 0 | 0 | 109.1 | P583 V587 | P583-L585 PolarHBondContact O-N 2.91Å; P583-L585 VanDerWaalsContact O-N 3.12Å; L585-V587 PolarHBondContact O-N 3.02Å; L585-V587 VanDerWaalsContact O-N 3.09Å | ||
| 586 | E | 28.3 | Very low | 25 | Very low | 201 Ų | 201 | 111.1 Ų | 111.1 | 94% | 0.939 | 59% | 0.59 | S | S | * | * | trans | -72.5 | 9.4 | -168.5 | -77.1 | 180 | 150.3 | 0 | 0 | 116 | ||||
| 587 | V | 26 | Very low | 24.6 | Very low | 114 Ų | 114 | 115.3 Ų | 115.3 | 69% | 0.691 | 61% | 0.612 | S | S | * | * | trans | -127.7 | 105.5 | -174.2 | -168.6 | 0 | 0 | 0 | 0 | 111.6 | L585 | L585-V587 PolarHBondContact O-N 3.02Å; L585-V587 VanDerWaalsContact O-N 3.09Å | ||
| 588 | V | 24.1 | Very low | 24.4 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 72% | 0.721 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 116 | 168.2 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | ||
| 589 | P | 25.1 | Very low | 24.1 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 140.9 | -179.5 | 25.4 | -29.8 | 0 | 0 | 0 | 111.9 | ||
| 590 | K | 25.4 | Very low | 23.9 | Very low | 200 Ų | 200 | 130.8 Ų | 130.8 | 87% | 0.87 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 137.8 | -173 | -76.5 | 177.6 | 173 | -179.7 | 0 | 113.1 | ||
| 591 | V | 23.8 | Very low | 23.6 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 85% | 0.848 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 125.1 | 170.8 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | ||
| 592 | I | 22.6 | Very low | 23.4 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 83% | 0.831 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 136.8 | 169.4 | -62.4 | 175.9 | 0 | 0 | 0 | 108.3 | ||
| 593 | E | 22.8 | Very low | 23 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 137.1 | -167.3 | -63.9 | 166.2 | 159.1 | 0 | 0 | 112.6 | ||
| 594 | Q | 22 | Very low | 22.6 | Very low | 183 Ų | 183 | 145.7 Ų | 145.7 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | 61 | 108.4 | 155.1 | -59.5 | 178 | -3 | 0 | 0 | 119.7 | ||||
| 595 | P | 21.1 | Very low | 22.2 | Very low | 96 Ų | 96 | 146 Ų | 146 | 62% | 0.623 | 77% | 0.765 | S | S | * | * | trans | -107.2 | 124.7 | 162.4 | 33.3 | -21.6 | 0 | 0 | 0 | 112.8 | ||||
| 596 | T | 20.5 | Very low | 21.9 | Very low | 113 Ų | 113 | 150 Ų | 150 | 69% | 0.693 | 78% | 0.777 | S | S | * | * | trans | -81.1 | 136.3 | 165.8 | -32.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 597 | I | 19.8 | Very low | 21.4 | Very low | 137 Ų | 137 | 149.1 Ų | 149.1 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | trans | -100.2 | 125.1 | -173 | -60.9 | 169.3 | 0 | 0 | 0 | 109.7 | I599 | I597-I599 HydrophobicContact CG2-CG1 4.42Š| ||
| 598 | Y | 19.6 | Very low | 21.2 | Very low | 171 Ų | 171 | 151 Ų | 151 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | -107.7 | 153.9 | 165 | -66.4 | -84.2 | 0 | 0 | 0 | 109.3 | ||||
| 599 | I | 19.3 | Very low | 21 | Very low | 147 Ų | 147 | 155.8 Ų | 155.8 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | -126.2 | 108.1 | 179.3 | -59.7 | 174.7 | 0 | 0 | 0 | 107.2 | I597 | I597-I599 HydrophobicContact CG2-CG1 4.42Š| ||
| 600 | T | 19 | Very low | 20.8 | Very low | 125 Ų | 125 | 161.9 Ų | 161.9 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | trans | -90.2 | 111.3 | 177.1 | 40.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 601 | R | 19.5 | Very low | 20.7 | Very low | 223 Ų | 223 | 161.4 Ų | 161.4 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | -88.3 | 121.8 | 172.7 | -80.9 | -179.3 | 171.6 | 172.8 | -1.5 | 109.9 | V603 | R601-V603 HydrophobicContact CB-CG2 4.16Š| ||
| 602 | S | 20.4 | Very low | 20.5 | Very low | 124 Ų | 124 | 160.2 Ų | 160.2 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -86.9 | 108.3 | 160.6 | 78.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 603 | V | 21 | Very low | 20.6 | Very low | 108 Ų | 108 | 158.3 Ų | 158.3 | 66% | 0.655 | 78% | 0.783 | S | S | * | * | trans | -93.6 | 114 | -175.8 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | R601 T605 | R601-V603 HydrophobicContact CB-CG2 4.16Å; V603-T605 PolarHBondContact O-N 3.37Å | ||
| 604 | Q | 19.2 | Very low | 20.7 | Very low | 194 Ų | 194 | 157 Ų | 157 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | trans | -77.8 | 102.3 | 165.4 | -82.2 | -172.3 | -15.4 | 0 | 0 | 108.8 | K606 | Q604-K606 PolarHBondContact O-N 3.22Š| ||
| 605 | T | 20 | Very low | 21.1 | Very low | 121 Ų | 121 | 155.7 Ų | 155.7 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | -64.3 | 114.6 | 178.4 | 48.1 | 0 | 0 | 0 | 0 | 110.9 | V603 | V603-T605 PolarHBondContact O-N 3.37Š| ||
| 606 | K | 19.7 | Very low | 21.3 | Very low | 195 Ų | 195 | 159.2 Ų | 159.2 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -97.7 | 118.4 | 153.2 | -91.7 | -174.7 | 173.8 | -179.7 | 0 | 107.6 | Q604 I608 | Q604-K606 PolarHBondContact O-N 3.22Å; K606-I608 PolarHBondContact O-N 3.3Å | ||
| 607 | E | 19.4 | Very low | 21.6 | Very low | 182 Ų | 182 | 160.6 Ų | 160.6 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -56.3 | 113.8 | 177.1 | -68.9 | 175.5 | 145.1 | 0 | 0 | 109.9 | ||||
| 608 | I | 20.8 | Very low | 21.9 | Very low | 155 Ų | 155 | 160 Ų | 160 | 80% | 0.795 | 79% | 0.793 | S | S | * | * | trans | -117.8 | 124.4 | 164 | -59.5 | 176.3 | 0 | 0 | 0 | 105.5 | K606 R610 | K606-I608 PolarHBondContact O-N 3.3Å; I608-R610 PolarHBondContact O-N 2.93Å | ||
| 609 | Y | 20.3 | Very low | 22.1 | Very low | 219 Ų | 219 | 159.4 Ų | 159.4 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | -56.2 | 132.6 | -174.7 | -75.1 | -94.6 | 0 | 0 | 0 | 111.4 | E611 | Y609-E611 PolarHBondContact O-N 2.91Š| ||
| 610 | R | 20.5 | Very low | 22.3 | Very low | 236 Ų | 236 | 161.5 Ų | 161.5 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | trans | -68.9 | 116.2 | 177.9 | -69 | 175.5 | -178 | 174.3 | -0.7 | 109.8 | I608 | I608-R610 PolarHBondContact O-N 2.93Š| ||
| 611 | E | 22.9 | Very low | 22.9 | Very low | 189 Ų | 189 | 163.5 Ų | 163.5 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -107.4 | 112.9 | 148.2 | -88.1 | -177.7 | 163.2 | 0 | 0 | 107.8 | Y609 | Y609-E611 PolarHBondContact O-N 2.91Š| ||
| 612 | T | 21.1 | Very low | 23.1 | Very low | 116 Ų | 116 | 161.8 Ų | 161.8 | 71% | 0.712 | 80% | 0.803 | S | S | * | * | trans | -69.1 | 119.7 | 175.7 | 41.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 613 | V | 24.5 | Very low | 23.6 | Very low | 122 Ų | 122 | 165.2 Ų | 165.2 | 74% | 0.739 | 81% | 0.805 | S | S | * | * | trans | -119.6 | 102.4 | 162.9 | -177.6 | 0 | 0 | 0 | 0 | 106.7 | I615 | V613-I615 HydrophobicContact CG1-CD1 4.39Å; V613-I615 HydrophobicContact CG1-CG1 4.13Å; V613-I615 PolarHBondContact O-N 3.38Å | ||
| 614 | D | 24 | Very low | 23.8 | Very low | 140 Ų | 140 | 169 Ų | 169 | 75% | 0.749 | 82% | 0.816 | S | S | * | * | trans | -67.1 | 119.9 | 171.1 | -65.2 | -46.2 | 0 | 0 | 0 | 108.6 | ||||
| 615 | I | 30.6 | Very low | 24.1 | Very low | 156 Ų | 156 | 168.3 Ų | 168.3 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | trans | -126.8 | 99.2 | 163.6 | -54.9 | 179.7 | 0 | 0 | 0 | 106.4 | V613 | V613-I615 HydrophobicContact CG1-CD1 4.39Å; V613-I615 HydrophobicContact CG1-CG1 4.13Å; V613-I615 PolarHBondContact O-N 3.38Å | ||
| 616 | E | 25.4 | Very low | 24.6 | Very low | 170 Ų | 170 | 169.7 Ų | 169.7 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -68.2 | 128.8 | 172.8 | -64.8 | 175.7 | 152 | 0 | 0 | 110.3 | ||||
| 617 | D | 26 | Very low | 24.9 | Very low | 142 Ų | 142 | 166.9 Ų | 166.9 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | 48.8 | 150 | 132.4 | -63.7 | -25.9 | 0 | 0 | 0 | 123.3 | ||||
| 618 | T | 27.3 | Very low | 25.3 | Very low | 126 Ų | 126 | 164.8 Ų | 164.8 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | 87.8 | 102.4 | 158.5 | 65.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 619 | E | 23.9 | Very low | 25.7 | Very low | 158 Ų | 158 | 165.7 Ų | 165.7 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | 90.6 | 128.4 | 75.8 | -99.4 | -174.9 | 180 | 0 | 0 | 113.6 | |||||
| 620 | Y | 23.8 | Very low | 26.1 | Very low | 191 Ų | 191 | 164 Ų | 164 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | trans | 77.6 | 119.6 | 167.8 | -60.9 | -81.3 | 0 | 0 | 0 | 119.5 | ||||
| 621 | L | 29.7 | Very low | 26.6 | Very low | 166 Ų | 166 | 158.7 Ų | 158.7 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | -176.8 | 137 | 90.7 | -89.3 | 164.2 | 0 | 0 | 0 | 110.6 | |||||
| 622 | Q | 25.5 | Very low | 27 | Very low | 187 Ų | 187 | 157.7 Ų | 157.7 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -78.7 | 115.5 | 178.3 | -66.7 | 163.2 | -22.8 | 0 | 0 | 108.6 | ||||
| 623 | E | 30.3 | Very low | 27.4 | Very low | 196 Ų | 196 | 158.8 Ų | 158.8 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | -96.9 | 134.9 | 165.4 | -81.4 | -175.8 | 169.4 | 0 | 0 | 110.1 | ||||
| 624 | E | 26.1 | Very low | 27.6 | Very low | 189 Ų | 189 | 159.4 Ų | 159.4 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -74.4 | 150.6 | -158.8 | -67.2 | 170.9 | 139.1 | 0 | 0 | 113.9 | I626 | E624-I626 PolarHBondContact O-N 3.31Š| ||
| 625 | Q | 25.1 | Very low | 27.9 | Very low | 179 Ų | 179 | 160.8 Ų | 160.8 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -66.6 | 109.6 | 178.4 | -64.6 | 167.2 | -31 | 0 | 0 | 111.1 | ||||
| 626 | I | 28.8 | Very low | 27.8 | Very low | 149 Ų | 149 | 160.8 Ų | 160.8 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -95.5 | 109.1 | 156.3 | -62.4 | 175.7 | 0 | 0 | 0 | 106.4 | E624 D628 | E624-I626 PolarHBondContact O-N 3.31Å; I626-D628 PolarHBondContact O-N 2.78Å | ||
| 627 | I | 26.4 | Very low | 28 | Very low | 136 Ų | 136 | 160.2 Ų | 160.2 | 70% | 0.697 | 79% | 0.79 | S | S | * | * | trans | -81.9 | 90.3 | 179.5 | -60.1 | 164.4 | 0 | 0 | 0 | 106.3 | ||||
| 628 | D | 29.4 | Very low | 28 | Very low | 138 Ų | 138 | 156.4 Ų | 156.4 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -86.6 | 112.5 | 162.7 | -80.6 | -30.4 | 0 | 0 | 0 | 107.6 | I626 E630 | I626-D628 PolarHBondContact O-N 2.78Å; D628-E630 VanDerWaalsContact C-N 3.33Å; D628-E630 PolarHBondContact O-N 3.35Å | ||
| 629 | E | 28.8 | Very low | 28 | Very low | 175 Ų | 175 | 155.2 Ų | 155.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -63.2 | 90 | 173.5 | -69.1 | 177.4 | 155.6 | 0 | 0 | 109.3 | V631 | E629-V631 VanDerWaalsContact C-N 3.27Å; E629-V631 PolarHBondContact O-N 3.24Å | ||
| 630 | E | 28.5 | Very low | 28.2 | Very low | 184 Ų | 184 | 151.5 Ų | 151.5 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -65.7 | 89.7 | 164.9 | -78.2 | -173.8 | 156 | 0 | 0 | 108.7 | D628 E632 | D628-E630 VanDerWaalsContact C-N 3.33Å; D628-E630 PolarHBondContact O-N 3.35Å; E630-E632 VanDerWaalsContact C-N 3.35Å; E630-E632 PolarHBondContact O-N 3.05Å | ||
| 631 | V | 29.8 | Very low | 28.4 | Very low | 123 Ų | 123 | 145 Ų | 145 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | trans | -63.2 | 103.1 | 160.7 | 177.5 | 0 | 0 | 0 | 0 | 106.5 | E629 N633 | E629-V631 VanDerWaalsContact C-N 3.27Å; E629-V631 PolarHBondContact O-N 3.24Å; V631-N633 PolarHBondContact O-N 3.25Å | ||
| 632 | E | 32.1 | Very low | 28.4 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | -45.3 | 98.9 | 177 | -68.4 | -179.2 | 151.9 | 0 | 0 | 110.8 | E630 I634 | E630-E632 VanDerWaalsContact C-N 3.35Å; E630-E632 PolarHBondContact O-N 3.05Å; E632-I634 VanDerWaalsContact C-N 3.28Å; E632-I634 PolarHBondContact O-N 2.92Å | ||
| 633 | N | 29.4 | Very low | 29 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | trans | -69.8 | 91.3 | 167.5 | -95.6 | -34.1 | 0 | 0 | 0 | 107.9 | V631 E635 | V631-N633 PolarHBondContact O-N 3.25Å; N633-E635 PolarHBondContact O-N 2.92Å | ||
| 634 | I | 29.1 | Very low | 29.8 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 70% | 0.697 | 69% | 0.685 | S | S | * | * | trans | -54.2 | 109.2 | 171.4 | -64.4 | 167.9 | 0 | 0 | 0 | 108.1 | E632 E636 | E632-I634 VanDerWaalsContact C-N 3.28Å; E632-I634 PolarHBondContact O-N 2.92Å; I634-E636 PolarHBondContact O-N 3.47Å | ||
| 635 | E | 30.9 | Very low | 30.5 | Very low | 168 Ų | 168 | 125.1 Ų | 125.1 | 79% | 0.785 | 66% | 0.661 | S | S | * | * | trans | -69.7 | 73.9 | 178.6 | -73 | -174 | 152.9 | 0 | 0 | 111 | N633 L637 R783 | N633-E635 PolarHBondContact O-N 2.92Å; E635-L637 PolarHBondContact O-N 3.36Å; E635-L637 VanDerWaalsContact O-N 3.08Å; E635-R783 VanDerWaalsContact C-NH2 3.26Å | ||
| 636 | E | 27.9 | Very low | 31.4 | Very low | 156 Ų | 156 | 121.5 Ų | 121.5 | 73% | 0.729 | 65% | 0.648 | S | S | * | * | trans | -58 | 111.9 | 161.4 | -73.6 | -170.2 | 161.7 | 0 | 0 | 110.4 | I634 S638 R783 | I634-E636 PolarHBondContact O-N 3.47Å; E636-S638 PolarHBondContact O-N 2.9Å; E636-R783 PolarHBondContact O-NE 2.93Å; E636-R783 PolarHBondContact O-NH2 3.46Å | ||
| 637 | L | 29 | Very low | 32 | Very low | 159 Ų | 159 | 115.7 Ų | 115.7 | 83% | 0.832 | 62% | 0.62 | S | S | * | * | trans | -67.3 | 114.8 | -180 | -77.1 | 148.4 | 0 | 0 | 0 | 110.3 | E635 | E635-L637 PolarHBondContact O-N 3.36Å; E635-L637 VanDerWaalsContact O-N 3.08Å | ||
| 638 | S | 25.9 | Very low | 32.9 | Very low | 61 Ų | 61 | 116.4 Ų | 116.4 | 43% | 0.427 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 145.2 | 175.8 | -36.9 | 0 | 0 | 0 | 0 | 111.7 | E636 | E636-S638 PolarHBondContact O-N 2.9Š|
| 639 | P | 26.9 | Very low | 33.5 | Very low | 102 Ų | 102 | 113.8 Ų | 113.8 | 66% | 0.662 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 162.2 | -176.2 | 22 | -31.4 | 0 | 0 | 0 | 115.1 | R785 | P639-R785 PolarHBondContact O-NH1 3.05Å; P639-R785 PolarHBondContact O-NH2 3.26Å |
| 640 | P | 28.7 | Very low | 34.1 | Very low | 80 Ų | 80 | 110.6 Ų | 110.6 | 52% | 0.519 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 155.4 | -170.4 | 24.3 | -34.7 | 0 | 0 | 0 | 114.7 | D204 R785 | D204-P640 WeakPolarHBondContact OD1-CG 3.37Å; P640-R785 PolarHBondContact O-NH1 3.46Å |
| 641 | A | 28.7 | Very low | 34.9 | Very low | 55 Ų | 55 | 105.6 Ų | 105.6 | 46% | 0.455 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -76.3 | 122.8 | -173 | 0 | 0 | 0 | 0 | 0 | 112.7 | R785 | A641-R785 VanDerWaalsContact CA-NH1 3.34Š|
| 642 | T | 28.7 | Very low | 35.6 | Very low | 75 Ų | 75 | 107.3 Ų | 107.3 | 46% | 0.46 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -81.4 | 148.3 | 152.6 | 44.3 | 0 | 0 | 0 | 0 | 108.2 | I644 E645 | T642-I644 PolarHBondContact O-N 2.69Å; T642-E645 PolarHBondContact O-N 2.81Å |
| 643 | P | 39.2 | Very low | 36.4 | Very low | 85 Ų | 85 | 104.9 Ų | 104.9 | 55% | 0.552 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 0.5 | 179.8 | 24.2 | -32.4 | 0 | 0 | 0 | 114.1 | ||
| 644 | I | 46.3 | Very low | 37.3 | Very low | 76 Ų | 76 | 101.3 Ų | 101.3 | 39% | 0.39 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -23.1 | 171.2 | -62.8 | 169.2 | 0 | 0 | 0 | 111 | T642 W799 | T642-I644 PolarHBondContact O-N 2.69Å; I644-W799 HydrophobicContact CG2-CH2 3.55Å; I644-W799 HydrophobicContact CG2-CZ3 3.59Å |
| 645 | E | 40.2 | Very low | 38.5 | Very low | 84 Ų | 84 | 96.2 Ų | 96.2 | 39% | 0.393 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -108.3 | 7.2 | 178.8 | -58 | -171.7 | 168.8 | 0 | 0 | 113.2 | T642 P647 R785 | T642-E645 PolarHBondContact O-N 2.81Å; E645-P647 WeakPolarHBondContact O-CD 3.32Å; E645-P647 VanDerWaalsContact O-N 3.15Å; E645-R785 HydrophobicContact CB-CB 4.44Å; E645-R785 WeakPolarHBondContact O-CD 3.43Å; E645-R785 WeakPolarHBondContact OE2-CD 3.25Å; E645-R785 IonicContact OE2-CZ 2.64Å; E645-R785 IonicContact OE2-NE 2.82Å; E645-R785 IonicContact OE2-NH1 4Å; E645-R785 PolarHBondContact OE2-NH1 3.34Å |
| 646 | D | 44 | Very low | 39.5 | Very low | 102 Ų | 102 | 93.2 Ų | 93.2 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -60.5 | 120.6 | 162.5 | -86.8 | -26.1 | 0 | 0 | 0 | 107.3 | W648 | D646-W648 PolarHBondContact O-N 3.1Š|
| 647 | P | 43.1 | Very low | 40.6 | Very low | 28 Ų | 28 | 93 Ų | 93 | 18% | 0.182 | 51% | 0.505 | C | S | . | . | trans | -56.9 | 138.6 | -178.4 | 22.4 | -31.8 | 0 | 0 | 0 | 109 | E645 V649 | E645-P647 WeakPolarHBondContact O-CD 3.32Å; E645-P647 VanDerWaalsContact O-N 3.15Å; P647-V649 WeakPolarHBondContact CB-O 3.43Å; P647-V649 CarbonylContact O-C 3.6Å; P647-V649 VanDerWaalsContact O-C 3.27Å; P647-V649 PolarHBondContact O-N 3.32Å | ||
| 648 | W | 43.4 | Very low | 41.7 | Very low | 150 Ų | 150 | 87.1 Ų | 87.1 | 57% | 0.568 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -52 | -21.8 | -176.1 | -89.2 | 15.1 | 0 | 0 | 0 | 114.3 | D646 R678 Y802 | D646-W648 PolarHBondContact O-N 3.1Å; W648-R678 PolarHBondContact O-NH1 2.93Å; W648-R678 PolarHBondContact O-NH2 3.12Å; W648-Y802 WeakPolarHBondContact CH2-OH 3.46Å; W648-Y802 HydrophobicContact CZ2-CE2 4.35Å; W648-Y802 AromaticContact CZ2-CZ 3.86Å; W648-Y802 WeakPolarHBondContact CZ2-OH 3.17Å |
| 649 | V | 42.3 | Very low | 43 | Very low | 84 Ų | 84 | 92.7 Ų | 92.7 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -123.9 | 123.1 | 162.5 | -178.8 | 0 | 0 | 0 | 0 | 107.2 | P647 F651 Y787 | P647-V649 WeakPolarHBondContact CB-O 3.43Å; P647-V649 CarbonylContact O-C 3.6Å; P647-V649 VanDerWaalsContact O-C 3.27Å; P647-V649 PolarHBondContact O-N 3.32Å; V649-F651 PolarHBondContact O-N 3.4Å; V649-Y787 HydrophobicContact CB-CE2 4.36Å |
| 650 | P | 42.5 | Very low | 44.2 | Very low | 108 Ų | 108 | 94.3 Ų | 94.3 | 70% | 0.701 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 126.2 | 174.4 | 21.2 | -29.1 | 0 | 0 | 0 | 109.5 | K652 | P650-K652 PolarHBondContact O-N 2.98Å; P650-K652 VanDerWaalsContact O-N 3.15Å |
| 651 | F | 44.1 | Very low | 45.4 | Very low | 78 Ų | 78 | 97.2 Ų | 97.2 | 34% | 0.342 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 118.4 | 178.8 | 173.9 | -108 | 0 | 0 | 0 | 109.7 | V649 K653 Y782 | V649-F651 PolarHBondContact O-N 3.4Å; F651-K653 VanDerWaalsContact CE1-CA 3.48Å; F651-K653 HydrophobicContact CE1-CB 3.97Å; F651-K653 HydrophobicContact CE1-CG 3.99Å; F651-K653 HydrophobicContact CZ-CB 4.42Å; F651-K653 HydrophobicContact CZ-CG 4.35Å; F651-Y782 HydrophobicContact CB-CD2 4.43Å; F651-Y782 HydrophobicContact CB-CE2 4.06Å; F651-Y782 HydrophobicContact CD1-CD2 4.32Å; F651-Y782 HydrophobicContact CD1-CE2 4.25Å; F651-Y782 HydrophobicContact CG-CD2 4.39Å; F651-Y782 HydrophobicContact CG-CE2 4.37Å |
| 652 | K | 46.2 | Very low | 47.1 | Very low | 160 Ų | 160 | 103.2 Ų | 103.2 | 70% | 0.696 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -93.9 | 117.3 | 164.9 | -169.7 | -178.7 | 178.5 | -167.8 | 0 | 106.8 | P650 L654 | P650-K652 PolarHBondContact O-N 2.98Å; P650-K652 VanDerWaalsContact O-N 3.15Å; K652-L654 PolarHBondContact O-N 3.19Å; K652-L654 VanDerWaalsContact O-N 3.09Å |
| 653 | K | 47.8 | Very low | 48.8 | Very low | 117 Ų | 117 | 105.7 Ų | 105.7 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 120.1 | 178 | -151.5 | 176.3 | -167.3 | -179.5 | 0 | 108.2 | D563 F651 A655 | D563-K653 IonicContact OD1-NZ 3.71Å; D563-K653 PolarHBondContact OD1-NZ 2.74Å; F651-K653 VanDerWaalsContact CE1-CA 3.48Å; F651-K653 HydrophobicContact CE1-CB 3.97Å; F651-K653 HydrophobicContact CE1-CG 3.99Å; F651-K653 HydrophobicContact CZ-CB 4.42Å; F651-K653 HydrophobicContact CZ-CG 4.35Å; K653-A655 PolarHBondContact O-N 2.86Å |
| 654 | L | 48.4 | Very low | 50.2 | Low | 64 Ų | 64 | 106.1 Ų | 106.1 | 34% | 0.335 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 118.9 | -179.7 | -75.9 | 162.8 | 0 | 0 | 0 | 107.9 | K652 E658 R659 | K652-L654 PolarHBondContact O-N 3.19Å; K652-L654 VanDerWaalsContact O-N 3.09Å; L654-E658 WeakPolarHBondContact CA-OE2 3.25Å; L654-E658 HydrophobicContact CB-CB 3.95Å; L654-E658 HydrophobicContact CD2-CB 3.32Å; L654-E658 HydrophobicContact CD2-CG 4.24Å; L654-E658 HydrophobicContact CG-CB 4.21Å; L654-R659 HydrophobicContact CB-CG 4.07Å |
| 655 | A | 53.6 | Low | 51.5 | Low | 29 Ų | 29 | 104.5 Ų | 104.5 | 24% | 0.24 | 53% | 0.528 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 156.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | K653 Y657 E658 R659 | K653-A655 PolarHBondContact O-N 2.86Å; A655-Y657 HydrophobicContact CB-CD1 3.5Å; A655-Y657 HydrophobicContact CB-CE1 3.2Å; A655-Y657 HydrophobicContact CB-CG 4.43Å; A655-Y657 PolarHBondContact O-N 3.19Å; A655-E658 HydrophobicContact CB-CG 4.23Å; A655-E658 PolarHBondContact N-OE2 3.47Å; A655-E658 WeakPolarHBondContact O-CA 3.38Å; A655-E658 WeakPolarHBondContact O-CB 3.47Å; A655-E658 PolarHBondContact O-N 2.76Å; A655-R659 PolarHBondContact O-N 2.88Å |
| 656 | P | 52.6 | Low | 53.3 | Low | 105 Ų | 105 | 103.5 Ų | 103.5 | 68% | 0.682 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -51.5 | -33.7 | -177.4 | -27.3 | 33.7 | 0 | 0 | 0 | 113.6 | ||
| 657 | Y | 52.1 | Low | 54.8 | Low | 152 Ų | 152 | 102 Ų | 102 | 60% | 0.596 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.2 | -27.8 | 175.8 | 73.8 | -95.5 | 0 | 0 | 0 | 113.8 | A655 L660 | A655-Y657 HydrophobicContact CB-CD1 3.5Å; A655-Y657 HydrophobicContact CB-CE1 3.2Å; A655-Y657 HydrophobicContact CB-CG 4.43Å; A655-Y657 PolarHBondContact O-N 3.19Å; Y657-L660 PolarHBondContact O-N 2.95Å |
| 658 | E | 51 | Low | 56.5 | Low | 34 Ų | 34 | 105.3 Ų | 105.3 | 16% | 0.159 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -79.5 | -28.4 | 178.7 | -55.5 | 176 | 148.3 | 0 | 0 | 111.4 | L654 A655 L660 M661 | L654-E658 WeakPolarHBondContact CA-OE2 3.25Å; L654-E658 HydrophobicContact CB-CB 3.95Å; L654-E658 HydrophobicContact CD2-CB 3.32Å; L654-E658 HydrophobicContact CD2-CG 4.24Å; L654-E658 HydrophobicContact CG-CB 4.21Å; A655-E658 HydrophobicContact CB-CG 4.23Å; A655-E658 PolarHBondContact N-OE2 3.47Å; A655-E658 WeakPolarHBondContact O-CA 3.38Å; A655-E658 WeakPolarHBondContact O-CB 3.47Å; A655-E658 PolarHBondContact O-N 2.76Å; E658-L660 PolarHBondContact O-N 3.49Å; E658-M661 HydrophobicContact CB-CE 4.2Å; E658-M661 HydrophobicContact CG-CE 4.22Å; E658-M661 WeakPolarHBondContact O-CB 3.29Å; E658-M661 VanDerWaalsContact O-CG 3.27Å; E658-M661 WeakPolarHBondContact O-CG 3.16Å; E658-M661 PolarHBondContact O-N 2.76Å; E658-M661 VanDerWaalsContact O-N 3.11Å |
| 659 | R | 53.2 | Low | 58.3 | Low | 179 Ų | 179 | 102 Ų | 102 | 68% | 0.675 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.2 | -22.2 | 168.3 | -63.6 | -174.8 | -173 | -178.8 | -1 | 112.6 | L654 A655 M661 | L654-R659 HydrophobicContact CB-CG 4.07Å; A655-R659 PolarHBondContact O-N 2.88Å; R659-M661 VanDerWaalsContact C-N 3.34Å |
| 660 | L | 51.6 | Low | 60.3 | Low | 136 Ų | 136 | 100.8 Ų | 100.8 | 71% | 0.712 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 15.2 | 176 | -66.1 | 166.6 | 0 | 0 | 0 | 112.4 | Y657 E658 K662 | Y657-L660 PolarHBondContact O-N 2.95Å; E658-L660 PolarHBondContact O-N 3.49Å; L660-K662 PolarHBondContact O-N 3.2Å |
| 661 | M | 55.5 | Low | 62.1 | Low | 141 Ų | 141 | 98.6 Ų | 98.6 | 70% | 0.695 | 51% | 0.508 | S | S | * | . | trans | -57.3 | 109.8 | 176.6 | -84.5 | -163.7 | -172.8 | 0 | 0 | 109.9 | E658 R659 | E658-M661 HydrophobicContact CB-CE 4.2Å; E658-M661 HydrophobicContact CG-CE 4.22Å; E658-M661 WeakPolarHBondContact O-CB 3.29Å; E658-M661 VanDerWaalsContact O-CG 3.27Å; E658-M661 WeakPolarHBondContact O-CG 3.16Å; E658-M661 PolarHBondContact O-N 2.76Å; E658-M661 VanDerWaalsContact O-N 3.11Å; R659-M661 VanDerWaalsContact C-N 3.34Å | ||
| 662 | K | 62.9 | Low | 64 | Low | 180 Ų | 180 | 95.7 Ų | 95.7 | 78% | 0.783 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 146.5 | 172.4 | -64.5 | -179.1 | -178.8 | 179.8 | 0 | 108.5 | L660 S664 | L660-K662 PolarHBondContact O-N 3.2Å; K662-S664 PolarHBondContact O-N 2.84Å; K662-S664 VanDerWaalsContact O-N 3.15Å |
| 663 | P | 64.8 | Low | 65.7 | Low | 128 Ų | 128 | 94 Ų | 94 | 83% | 0.831 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 123.2 | 170.3 | -22.2 | 31.5 | 0 | 0 | 0 | 109.7 | ||
| 664 | S | 69.5 | Low | 67.4 | Low | 93 Ų | 93 | 89.7 Ų | 89.7 | 65% | 0.65 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 139.2 | 177.8 | -53.6 | 0 | 0 | 0 | 0 | 110.4 | K662 E668 | K662-S664 PolarHBondContact O-N 2.84Å; K662-S664 VanDerWaalsContact O-N 3.15Å; S664-E668 WeakPolarHBondContact CA-OE2 3.42Å |
| 665 | S | 73.2 | Confident | 68.6 | Low | 42 Ų | 42 | 91.5 Ų | 91.5 | 29% | 0.294 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 157.9 | 177 | 69.6 | 0 | 0 | 0 | 0 | 111.9 | S667 E668 | S665-S667 PolarHBondContact O-N 3.49Å; S665-S667 VanDerWaalsContact O-N 3.09Å; S665-S667 PolarHBondContact OG-OG 3.39Å; S665-E668 PolarHBondContact N-OE2 3.44Å; S665-E668 PolarHBondContact O-N 2.73Å; S665-E668 VanDerWaalsContact O-N 3.14Å; S665-E668 VanDerWaalsContact OG-CD 3.27Å; S665-E668 VanDerWaalsContact OG-CG 3.25Å; S665-E668 WeakPolarHBondContact OG-CG 3.4Å; S665-E668 PolarHBondContact OG-N 2.94Å; S665-E668 PolarHBondContact OG-OE1 3.47Å |
| 666 | L | 77.1 | Confident | 69.7 | Low | 63 Ų | 63 | 93.1 Ų | 93.1 | 33% | 0.33 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -11.3 | 176 | -64.8 | 170.4 | 0 | 0 | 0 | 113.7 | L740 F771 | L666-L740 PolarHBondContact O-N 3.08Å; L666-F771 HydrophobicContact CD2-CD1 3.84Å; L666-F771 HydrophobicContact CD2-CD2 3.68Å; L666-F771 HydrophobicContact CD2-CE1 3.88Å; L666-F771 HydrophobicContact CD2-CE2 3.73Å; L666-F771 HydrophobicContact CD2-CG 3.74Å; L666-F771 HydrophobicContact CD2-CZ 3.83Å |
| 667 | S | 75.7 | Confident | 71 | Confident | 70 Ų | 70 | 89.1 Ų | 89.1 | 49% | 0.49 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -14.6 | 177.5 | 36.1 | 0 | 0 | 0 | 0 | 113.8 | S665 | S665-S667 PolarHBondContact O-N 3.49Å; S665-S667 VanDerWaalsContact O-N 3.09Å; S665-S667 PolarHBondContact OG-OG 3.39Å |
| 668 | E | 79.3 | Confident | 72 | Confident | 99 Ų | 99 | 87 Ų | 87 | 46% | 0.463 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -77.2 | 136.7 | -174.6 | -88.7 | 161.1 | -151.1 | 0 | 0 | 111.8 | S664 S665 | S664-E668 WeakPolarHBondContact CA-OE2 3.42Å; S665-E668 PolarHBondContact N-OE2 3.44Å; S665-E668 PolarHBondContact O-N 2.73Å; S665-E668 VanDerWaalsContact O-N 3.14Å; S665-E668 VanDerWaalsContact OG-CD 3.27Å; S665-E668 VanDerWaalsContact OG-CG 3.25Å; S665-E668 WeakPolarHBondContact OG-CG 3.4Å; S665-E668 PolarHBondContact OG-N 2.94Å; S665-E668 PolarHBondContact OG-OE1 3.47Å |
| 669 | P | 81 | Confident | 73 | Confident | 79 Ų | 79 | 88.6 Ų | 88.6 | 51% | 0.513 | 45% | 0.451 | S | S | . | . | trans | -71.2 | 141.8 | 176.1 | 29.8 | -33.8 | 0 | 0 | 0 | 110.7 | V732 N733 | P669-V732 VanDerWaalsContact CA-O 3.26Å; P669-V732 WeakPolarHBondContact CA-O 3.29Å; P669-N733 HydrophobicContact CB-CB 4.06Å | ||
| 670 | F | 83.4 | Confident | 74.2 | Confident | 59 Ų | 59 | 81.2 Ų | 81.2 | 26% | 0.259 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 166.2 | 176.4 | 64 | -85.7 | 0 | 0 | 0 | 111.1 | I672 V732 L740 L770 | F670-I672 HydrophobicContact CD2-CG1 4.09Å; F670-I672 HydrophobicContact CE2-CD1 3.91Å; F670-I672 HydrophobicContact CE2-CG1 3.75Å; F670-V732 HydrophobicContact CD1-CB 4.24Å; F670-V732 HydrophobicContact CD2-CB 4.41Å; F670-V732 HydrophobicContact CD2-CG2 4.39Å; F670-V732 HydrophobicContact CE1-CB 3.86Å; F670-V732 HydrophobicContact CE1-CG1 3.82Å; F670-V732 HydrophobicContact CE1-CG2 4.43Å; F670-V732 HydrophobicContact CE2-CB 4.05Å; F670-V732 HydrophobicContact CE2-CG2 3.8Å; F670-V732 HydrophobicContact CG-CB 4.5Å; F670-V732 HydrophobicContact CZ-CB 3.76Å; F670-V732 HydrophobicContact CZ-CG1 3.85Å; F670-V732 HydrophobicContact CZ-CG2 3.82Å; F670-V732 PolarHBondContact N-O 3.33Å; F670-V732 PolarHBondContact O-N 2.95Å; F670-L740 HydrophobicContact CE1-CD1 3.53Å; F670-L740 HydrophobicContact CZ-CD1 4.1Å; F670-L770 HydrophobicContact CE2-CD1 4.43Å; F670-L770 HydrophobicContact CE2-CD2 4.35Å; F670-L770 HydrophobicContact CZ-CD1 3.92Å |
| 671 | C | 81 | Confident | 75.4 | Confident | 62 Ų | 62 | 75.2 Ų | 75.2 | 42% | 0.419 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 139.3 | 176.9 | 64.6 | 0 | 0 | 0 | 0 | 111.9 | F730 I731 | C671-F730 CarbonylContact C-O 3.48Å; C671-F730 VanDerWaalsContact CA-O 3.32Å; C671-F730 WeakPolarHBondContact CA-O 3.15Å; C671-I731 HydrophobicContact CB-CG1 4.43Å |
| 672 | I | 84.7 | Confident | 76.4 | Confident | 18 Ų | 18 | 68.9 Ų | 68.9 | 9% | 0.092 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.1 | 170.9 | -54.7 | 172.2 | 0 | 0 | 0 | 107.5 | F670 L693 I705 F730 V732 L746 | F670-I672 HydrophobicContact CD2-CG1 4.09Å; F670-I672 HydrophobicContact CE2-CD1 3.91Å; F670-I672 HydrophobicContact CE2-CG1 3.75Å; I672-L693 HydrophobicContact CD1-CD1 4.41Å; I672-L693 HydrophobicContact CD1-CD2 4.17Å; I672-I705 HydrophobicContact CD1-CD1 4.12Å; I672-I705 HydrophobicContact CG2-CD1 4.24Å; I672-F730 HydrophobicContact CB-CB 4.36Å; I672-F730 PolarHBondContact N-O 3.03Å; I672-F730 PolarHBondContact O-N 3.49Å; I672-V732 HydrophobicContact CD1-CG2 4.12Å; I672-V732 HydrophobicContact CG1-CG2 4.48Å; I672-L746 HydrophobicContact CD1-CD1 4.04Å; I672-L746 HydrophobicContact CD1-CD2 4.3Å; I672-L746 HydrophobicContact CG2-CD2 4.14Å |
| 673 | Y | 80.7 | Confident | 77.1 | Confident | 124 Ų | 124 | 60.6 Ų | 60.6 | 49% | 0.486 | 33% | 0.327 | S | S | . | . | trans | -138.8 | 155.9 | 170 | 58.4 | -86.7 | 0 | 0 | 0 | 108.8 | D675 | Y673-D675 WeakPolarHBondContact CD2-OD1 3.5Å; Y673-D675 WeakPolarHBondContact CE2-OD1 3.1Å | ||
| 674 | I | 83.7 | Confident | 77.9 | Confident | 26 Ų | 26 | 54.7 Ų | 54.7 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | trans | -110.7 | 127.2 | 176.6 | -64.1 | 160.7 | 0 | 0 | 0 | 105.1 | V689 T707 F724 | I674-V689 HydrophobicContact CD1-CB 3.97Å; I674-V689 HydrophobicContact CD1-CG1 3.65Å; I674-V689 HydrophobicContact CD1-CG2 4.47Å; I674-T707 HydrophobicContact CD1-CG2 4.39Å; I674-T707 WeakPolarHBondContact CD1-OG1 3.35Å; I674-F724 HydrophobicContact CB-CD2 4.42Å; I674-F724 HydrophobicContact CB-CG 4.43Å; I674-F724 HydrophobicContact CG2-CD2 3.68Å; I674-F724 HydrophobicContact CG2-CE2 3.87Å; I674-F724 HydrophobicContact CG2-CG 4.16Å; I674-F724 HydrophobicContact CG2-CZ 4.42Å; I674-F724 VanDerWaalsContact O-CB 3.22Å; I674-F724 WeakPolarHBondContact O-CB 3.46Å | ||
| 675 | D | 74.6 | Confident | 78.5 | Confident | 103 Ų | 103 | 50.3 Ų | 50.3 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | trans | -82.7 | -50.7 | 177.8 | -71.3 | -38.1 | 0 | 0 | 0 | 111.1 | Y673 V723 F724 | Y673-D675 WeakPolarHBondContact CD2-OD1 3.5Å; Y673-D675 WeakPolarHBondContact CE2-OD1 3.1Å; D675-V723 WeakPolarHBondContact O-CG1 3.37Å; D675-F724 PolarHBondContact O-N 3.19Å | ||
| 676 | Q | 75.2 | Confident | 79.2 | Confident | 63 Ų | 63 | 48.4 Ų | 48.4 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -159.1 | 145.1 | -170.1 | -168 | 179.6 | 20.9 | 0 | 0 | 111.5 | R678 S721 P722 V723 | Q676-R678 HydrophobicContact CB-CG 4.46Å; Q676-R678 HydrophobicContact CG-CG 3.99Å; Q676-S721 PolarHBondContact NE2-O 3.1Å; Q676-P722 WeakPolarHBondContact CA-O 3.38Å; Q676-P722 VanDerWaalsContact CG-O 3.24Å; Q676-P722 WeakPolarHBondContact CG-O 3.26Å; Q676-V723 HydrophobicContact CB-CG2 4.37Å; Q676-V723 HydrophobicContact CG-CG2 3.78Å |
| 677 | L | 79.9 | Confident | 79.8 | Confident | 21 Ų | 21 | 45.6 Ų | 45.6 | 11% | 0.11 | 23% | 0.23 | C | C | . | . | trans | -91.2 | 132 | 158.2 | -71.8 | 170 | 0 | 0 | 0 | 108 | M680 F687 V689 S721 P722 F724 V750 | L677-M680 HydrophobicContact CB-CE 4.16Å; L677-M680 HydrophobicContact CB-CG 4.06Å; L677-M680 HydrophobicContact CB-SD 4.06Å; L677-M680 HydrophobicContact CD1-SD 4.21Å; L677-M680 HydrophobicContact CD2-CE 4.37Å; L677-M680 HydrophobicContact CD2-SD 4.41Å; L677-M680 HydrophobicContact CG-SD 4.46Å; L677-F687 HydrophobicContact CD1-CB 3.91Å; L677-F687 HydrophobicContact CD1-CD1 4.03Å; L677-F687 HydrophobicContact CD1-CG 4.02Å; L677-V689 HydrophobicContact CD1-CG2 3.96Å; L677-V689 HydrophobicContact CD2-CG2 4.25Å; L677-V689 HydrophobicContact CG-CG2 4.32Å; L677-S721 CarbonylContact O-C 3.57Å; L677-S721 WeakPolarHBondContact O-CA 3.32Å; L677-P722 HydrophobicContact CB-CG 4.02Å; L677-P722 HydrophobicContact CD1-CG 4.32Å; L677-P722 PolarHBondContact N-O 3.03Å; L677-P722 WeakPolarHBondContact O-CD 3.38Å; L677-F724 HydrophobicContact CB-CE2 4.31Å; L677-F724 HydrophobicContact CD1-CE2 4.03Å; L677-F724 HydrophobicContact CD1-CZ 3.81Å; L677-F724 HydrophobicContact CG-CE2 3.69Å; L677-F724 HydrophobicContact CG-CZ 3.94Å; L677-V750 HydrophobicContact CD1-CG1 3.75Å; L677-V750 HydrophobicContact CD2-CG1 4.11Å; L677-V750 HydrophobicContact CD2-CG2 3.77Å | ||
| 678 | R | 74.3 | Confident | 80.4 | Confident | 108 Ų | 108 | 43.5 Ų | 43.5 | 41% | 0.408 | 21% | 0.212 | S | C | . | . | trans | -118.5 | 144.3 | -179.5 | -63.1 | -176.9 | 174.4 | 174.4 | 3.3 | 111.1 | W648 Q676 M680 | W648-R678 PolarHBondContact O-NH1 2.93Å; W648-R678 PolarHBondContact O-NH2 3.12Å; Q676-R678 HydrophobicContact CB-CG 4.46Å; Q676-R678 HydrophobicContact CG-CG 3.99Å; R678-M680 WeakPolarHBondContact O-CE 3.42Å; R678-M680 PolarHBondContact O-N 3.04Å | ||
| 679 | F | 71.3 | Confident | 81 | Confident | 67 Ų | 67 | 38.9 Ų | 38.9 | 29% | 0.294 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 61.8 | 37.4 | 172 | -46.7 | -74.4 | 0 | 0 | 0 | 114.8 | R720 S721 Y802 F805 | F679-R720 PolarHBondContact N-O 3.41Å; F679-R720 VanDerWaalsContact N-O 3.15Å; F679-S721 PolarHBondContact N-OG 3.19Å; F679-Y802 HydrophobicContact CB-CE1 4.29Å; F679-Y802 AromaticContact CD1-CD1 3.54Å; F679-Y802 HydrophobicContact CD1-CD1 3.54Å; F679-Y802 AromaticContact CD1-CE1 3.75Å; F679-Y802 HydrophobicContact CD1-CE1 3.75Å; F679-Y802 AromaticContact CD2-CD1 3.97Å; F679-Y802 HydrophobicContact CD2-CD1 3.97Å; F679-Y802 AromaticContact CD2-CE1 3.3Å; F679-Y802 HydrophobicContact CD2-CE1 3.3Å; F679-Y802 AromaticContact CE1-CD1 3.37Å; F679-Y802 HydrophobicContact CE1-CD1 3.37Å; F679-Y802 AromaticContact CE1-CE1 3.76Å; F679-Y802 HydrophobicContact CE1-CE1 3.76Å; F679-Y802 HydrophobicContact CE1-CG 4.49Å; F679-Y802 AromaticContact CE2-CD1 3.79Å; F679-Y802 HydrophobicContact CE2-CD1 3.79Å; F679-Y802 AromaticContact CE2-CE1 3.28Å; F679-Y802 HydrophobicContact CE2-CE1 3.28Å; F679-Y802 AromaticContact CG-CD1 3.82Å; F679-Y802 HydrophobicContact CG-CD1 3.82Å; F679-Y802 AromaticContact CG-CE1 3.5Å; F679-Y802 HydrophobicContact CG-CE1 3.5Å; F679-Y802 VanDerWaalsContact CG-CE1 3.5Å; F679-Y802 AromaticContact CZ-CD1 3.47Å; F679-Y802 HydrophobicContact CZ-CD1 3.47Å; F679-Y802 VanDerWaalsContact CZ-CD1 3.47Å; F679-Y802 AromaticContact CZ-CE1 3.51Å; F679-Y802 HydrophobicContact CZ-CE1 3.51Å; F679-F805 HydrophobicContact CB-CD2 4.28Å; F679-F805 HydrophobicContact CB-CE2 4.03Å; F679-F805 HydrophobicContact CB-CZ 4.19Å; F679-F805 HydrophobicContact CD1-CB 4.07Å; F679-F805 HydrophobicContact CD1-CD1 4.43Å; F679-F805 AromaticContact CD1-CD2 3.9Å; F679-F805 HydrophobicContact CD1-CD2 3.9Å; F679-F805 HydrophobicContact CD1-CE2 4.48Å; F679-F805 AromaticContact CD1-CG 3.9Å; F679-F805 HydrophobicContact CD1-CG 3.9Å; F679-F805 HydrophobicContact CE1-CB 4.41Å; F679-F805 WeakPolarHBondContact O-CZ 3.32Å |
| 680 | M | 79.2 | Confident | 81.4 | Confident | 23 Ų | 23 | 36.6 Ų | 36.6 | 11% | 0.113 | 18% | 0.175 | C | C | . | . | trans | -63.5 | 145.8 | 175.8 | -61.2 | -66.7 | 99.5 | 0 | 0 | 111.4 | L677 R678 F687 R720 V750 I763 F805 | L677-M680 HydrophobicContact CB-CE 4.16Å; L677-M680 HydrophobicContact CB-CG 4.06Å; L677-M680 HydrophobicContact CB-SD 4.06Å; L677-M680 HydrophobicContact CD1-SD 4.21Å; L677-M680 HydrophobicContact CD2-CE 4.37Å; L677-M680 HydrophobicContact CD2-SD 4.41Å; L677-M680 HydrophobicContact CG-SD 4.46Å; R678-M680 WeakPolarHBondContact O-CE 3.42Å; R678-M680 PolarHBondContact O-N 3.04Å; M680-F687 HydrophobicContact CB-CE1 3.58Å; M680-F687 HydrophobicContact CB-CE2 4.48Å; M680-F687 HydrophobicContact CB-CZ 3.41Å; M680-F687 VanDerWaalsContact CB-CZ 3.41Å; M680-F687 HydrophobicContact CG-CD1 4.2Å; M680-F687 HydrophobicContact CG-CE1 3.42Å; M680-F687 VanDerWaalsContact CG-CE1 3.42Å; M680-F687 HydrophobicContact CG-CE2 4.42Å; M680-F687 HydrophobicContact CG-CZ 3.56Å; M680-F687 HydrophobicContact SD-CD1 4.09Å; M680-F687 HydrophobicContact SD-CE1 3.63Å; M680-F687 HydrophobicContact SD-CZ 4.38Å; M680-R720 WeakPolarHBondContact CB-O 3.34Å; M680-R720 PolarHBondContact N-O 2.78Å; M680-V750 HydrophobicContact SD-CG1 4.45Å; M680-I763 HydrophobicContact SD-CD1 3.93Å; M680-F805 VanDerWaalsContact O-CE1 3.24Å; M680-F805 WeakPolarHBondContact O-CE1 3.45Å; M680-F805 WeakPolarHBondContact O-CZ 3.49Å | ||
| 681 | P | 75.9 | Confident | 81.7 | Confident | 11 Ų | 11 | 34 Ų | 34 | 7% | 0.071 | 17% | 0.165 | C | C | . | . | trans | -58.7 | 151 | -171.8 | -27.5 | 38 | 0 | 0 | 0 | 114.7 | N683 S684 M867 F871 | P681-N683 PolarHBondContact O-N 2.89Å; P681-N683 VanDerWaalsContact O-N 3.09Å; P681-S684 WeakPolarHBondContact O-CB 3.41Å; P681-S684 PolarHBondContact O-N 3.43Å; P681-S684 PolarHBondContact O-OG 3.05Å; P681-M867 HydrophobicContact CB-CE 4.01Å; P681-M867 HydrophobicContact CG-CE 4.27Å; P681-M867 HydrophobicContact CG-SD 4.27Å; P681-F871 HydrophobicContact CB-CD1 3.66Å; P681-F871 HydrophobicContact CB-CE1 3.77Å; P681-F871 HydrophobicContact CG-CD1 3.93Å; P681-F871 HydrophobicContact CG-CE1 3.49Å; P681-F871 VanDerWaalsContact CG-CE1 3.49Å | ||
| 682 | D | 76.7 | Confident | 82.1 | Confident | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.043 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.8 | 178.6 | -77.9 | -20.7 | 0 | 0 | 0 | 113.5 | S684 R720 F874 R876 F1022 | D682-S684 VanDerWaalsContact C-N 3.33Å; D682-R720 WeakPolarHBondContact OD1-CD 3.22Å; D682-R720 IonicContact OD1-NH1 2.79Å; D682-R720 PolarHBondContact OD1-NH1 2.96Å; D682-F874 PolarHBondContact OD2-N 2.7Å; D682-R876 IonicContact OD1-NH2 3.2Å; D682-R876 IonicContact OD2-CZ 2.74Å; D682-R876 IonicContact OD2-NH1 3.08Å; D682-R876 IonicContact OD2-NH2 2.79Å; D682-R876 PolarHBondContact OD2-NH2 3.08Å; D682-F1022 HydrophobicContact CB-CE1 3.94Å; D682-F1022 WeakPolarHBondContact O-CZ 3.43Å |
| 683 | N | 77.6 | Confident | 82.3 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.027 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -2 | 177.9 | -165.7 | 27.5 | 0 | 0 | 0 | 113.6 | P681 T754 L755 T756 M867 P872 F1022 | P681-N683 PolarHBondContact O-N 2.89Å; P681-N683 VanDerWaalsContact O-N 3.09Å; N683-T754 CarbonylContact O-C 3.58Å; N683-T754 WeakPolarHBondContact O-CA 3.48Å; N683-L755 PolarHBondContact O-N 3.3Å; N683-L755 WeakPolarHBondContact OD1-CA 3.46Å; N683-L755 VanDerWaalsContact OD1-CB 3.31Å; N683-L755 WeakPolarHBondContact OD1-CB 3.48Å; N683-L755 PolarHBondContact OD1-N 2.9Å; N683-T756 PolarHBondContact ND2-OG1 2.63Å; N683-T756 WeakPolarHBondContact OD1-CG2 3.49Å; N683-T756 PolarHBondContact OD1-N 3.3Å; N683-T756 PolarHBondContact OD1-OG1 2.81Å; N683-M867 HydrophobicContact CB-CE 4.27Å; N683-P872 HydrophobicContact CB-CG 3.84Å; N683-P872 VanDerWaalsContact ND2-CG 3.33Å; N683-P872 WeakPolarHBondContact ND2-CG 3.45Å; N683-F1022 HydrophobicContact CB-CE1 4.1Å; N683-F1022 HydrophobicContact CB-CZ 4.31Å |
| 684 | S | 81.6 | Confident | 82.6 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 3% | 0.028 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 153.6 | 175.9 | 66.5 | 0 | 0 | 0 | 0 | 111.2 | P681 D682 F687 T752 | P681-S684 WeakPolarHBondContact O-CB 3.41Å; P681-S684 PolarHBondContact O-N 3.43Å; P681-S684 PolarHBondContact O-OG 3.05Å; D682-S684 VanDerWaalsContact C-N 3.33Å; S684-F687 WeakPolarHBondContact OG-CZ 3.48Å; S684-T752 WeakPolarHBondContact CB-OG1 3.33Å |
| 685 | T | 83.1 | Confident | 82.8 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | -81.4 | -173.9 | 57.7 | 0 | 0 | 0 | 0 | 112.5 | F687 T752 L753 L755 M818 | T685-F687 VanDerWaalsContact O-CE2 3.29Å; T685-F687 WeakPolarHBondContact O-CE2 3.48Å; T685-T752 PolarHBondContact N-OG1 3.24Å; T685-L753 PolarHBondContact N-O 2.97Å; T685-L753 PolarHBondContact OG1-O 2.9Å; T685-L755 HydrophobicContact CG2-CB 3.8Å; T685-L755 HydrophobicContact CG2-CD1 3.98Å; T685-L755 HydrophobicContact CG2-CG 4.35Å; T685-M818 HydrophobicContact CG2-SD 4.16Å |
| 686 | I | 87 | Confident | 83.1 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 154.8 | 175.6 | 55 | 173.4 | 0 | 0 | 0 | 109.9 | T752 L753 I815 V819 I822 Y847 T848 R851 L852 | I686-T752 VanDerWaalsContact O-CA 3.26Å; I686-T752 WeakPolarHBondContact O-CA 3.19Å; I686-T752 WeakPolarHBondContact O-CB 3.25Å; I686-T752 PolarHBondContact O-OG1 3.31Å; I686-L753 HydrophobicContact CG1-CB 4.11Å; I686-I815 HydrophobicContact CG2-CG2 4.44Å; I686-V819 HydrophobicContact CG2-CG2 3.76Å; I686-I822 HydrophobicContact CD1-CD1 4.22Å; I686-I822 HydrophobicContact CG1-CD1 4.18Å; I686-I822 HydrophobicContact CG2-CD1 4.16Å; I686-Y847 HydrophobicContact CD1-CE1 4.33Å; I686-T848 HydrophobicContact CB-CG2 4.14Å; I686-T848 HydrophobicContact CD1-CG2 4.18Å; I686-R851 HydrophobicContact CD1-CB 4.33Å; I686-L852 HydrophobicContact CD1-CD1 4.34Å; I686-L852 HydrophobicContact CD1-CD2 4.4Å; I686-L852 HydrophobicContact CD1-CG 4.12Å; I686-L852 HydrophobicContact CG1-CD1 4.19Å; I686-L852 HydrophobicContact CG1-CD2 4.38Å; I686-L852 HydrophobicContact CG1-CG 4.36Å |
| 687 | F | 89.1 | Confident | 83.4 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 2% | 0.022 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 153.6 | -174 | -55.2 | -94.7 | 0 | 0 | 0 | 112.4 | L677 M680 S684 T685 P709 S719 P722 V750 Y751 I763 T848 | L677-F687 HydrophobicContact CD1-CB 3.91Å; L677-F687 HydrophobicContact CD1-CD1 4.03Å; L677-F687 HydrophobicContact CD1-CG 4.02Å; M680-F687 HydrophobicContact CB-CE1 3.58Å; M680-F687 HydrophobicContact CB-CE2 4.48Å; M680-F687 HydrophobicContact CB-CZ 3.41Å; M680-F687 VanDerWaalsContact CB-CZ 3.41Å; M680-F687 HydrophobicContact CG-CD1 4.2Å; M680-F687 HydrophobicContact CG-CE1 3.42Å; M680-F687 VanDerWaalsContact CG-CE1 3.42Å; M680-F687 HydrophobicContact CG-CE2 4.42Å; M680-F687 HydrophobicContact CG-CZ 3.56Å; M680-F687 HydrophobicContact SD-CD1 4.09Å; M680-F687 HydrophobicContact SD-CE1 3.63Å; M680-F687 HydrophobicContact SD-CZ 4.38Å; S684-F687 WeakPolarHBondContact OG-CZ 3.48Å; T685-F687 VanDerWaalsContact O-CE2 3.29Å; T685-F687 WeakPolarHBondContact O-CE2 3.48Å; F687-P709 HydrophobicContact CB-CG 4.17Å; F687-P709 VanDerWaalsContact O-CD 3.27Å; F687-P709 WeakPolarHBondContact O-CD 3.39Å; F687-S719 WeakPolarHBondContact CE2-O 3.34Å; F687-S719 WeakPolarHBondContact CZ-O 3.43Å; F687-P722 HydrophobicContact CD2-CG 3.73Å; F687-P722 HydrophobicContact CE2-CG 4.04Å; F687-P722 HydrophobicContact CG-CG 4.31Å; F687-V750 HydrophobicContact CD1-CG1 4.21Å; F687-Y751 WeakPolarHBondContact CA-O 3.31Å; F687-I763 HydrophobicContact CD1-CD1 3.79Å; F687-I763 HydrophobicContact CE1-CD1 3.44Å; F687-I763 VanDerWaalsContact CE1-CD1 3.44Å; F687-T848 WeakPolarHBondContact O-CG2 3.44Å |
| 688 | K | 89.7 | Confident | 83.5 | Confident | 25 Ų | 25 | 35.8 Ų | 35.8 | 11% | 0.109 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 135.8 | 167.2 | 161.4 | 178 | 152.9 | 177.9 | 0 | 107.4 | T690 L706 V708 Y751 L849 L852 | K688-T690 HydrophobicContact CD-CG2 4.33Å; K688-T690 HydrophobicContact CG-CG2 4.21Å; K688-L706 HydrophobicContact CD-CD1 3.59Å; K688-L706 HydrophobicContact CG-CD1 3.69Å; K688-V708 HydrophobicContact CB-CG2 4.39Å; K688-Y751 PolarHBondContact N-O 2.99Å; K688-Y751 PolarHBondContact O-N 3.22Å; K688-L849 HydrophobicContact CD-CD2 4.46Å; K688-L852 HydrophobicContact CB-CB 4.34Å; K688-L852 HydrophobicContact CB-CD1 3.61Å; K688-L852 HydrophobicContact CD-CB 4.22Å; K688-L852 PolarHBondContact NZ-O 2.9Å |
| 689 | V | 91 | Very high | 83.7 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.9 | 170.1 | -172.7 | 0 | 0 | 0 | 0 | 107.8 | I674 L677 T707 F724 L748 R749 V750 | I674-V689 HydrophobicContact CD1-CB 3.97Å; I674-V689 HydrophobicContact CD1-CG1 3.65Å; I674-V689 HydrophobicContact CD1-CG2 4.47Å; L677-V689 HydrophobicContact CD1-CG2 3.96Å; L677-V689 HydrophobicContact CD2-CG2 4.25Å; L677-V689 HydrophobicContact CG-CG2 4.32Å; V689-T707 WeakPolarHBondContact CB-OG1 3.2Å; V689-T707 PolarHBondContact N-O 3.41Å; V689-T707 PolarHBondContact O-N 2.93Å; V689-F724 HydrophobicContact CG2-CE1 4.04Å; V689-F724 HydrophobicContact CG2-CZ 3.61Å; V689-L748 HydrophobicContact CG1-CB 4.31Å; V689-R749 WeakPolarHBondContact CA-O 3.13Å; V689-V750 HydrophobicContact CG2-CG1 4.48Å; V689-V750 HydrophobicContact CG2-CG2 4.19Å |
| 690 | T | 89.8 | Confident | 83.9 | Confident | 31 Ų | 31 | 38.1 Ų | 38.1 | 19% | 0.19 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 153.5 | 167 | 66.5 | 0 | 0 | 0 | 0 | 109.3 | K688 I705 L706 L748 R749 Y751 | K688-T690 HydrophobicContact CD-CG2 4.33Å; K688-T690 HydrophobicContact CG-CG2 4.21Å; T690-I705 CarbonylContact C-O 3.49Å; T690-I705 WeakPolarHBondContact CA-O 3.4Å; T690-L706 HydrophobicContact CG2-CD1 4.16Å; T690-L748 CarbonylContact O-C 3.44Å; T690-L748 WeakPolarHBondContact O-CA 3.49Å; T690-R749 PolarHBondContact N-O 3.47Å; T690-R749 PolarHBondContact O-N 2.79Å; T690-Y751 HydrophobicContact CG2-CD2 4.24Å; T690-Y751 HydrophobicContact CG2-CE2 3.73Å; T690-Y751 WeakPolarHBondContact OG1-CE2 3.24Å |
| 691 | G | 89.8 | Confident | 83.9 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 166.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D704 I705 F747 | G691-D704 CarbonylContact O-C 3.59Å; G691-I705 PolarHBondContact N-O 3.48Å; G691-I705 PolarHBondContact O-N 3.44Å; G691-F747 CarbonylContact C-O 3.41Å; G691-F747 WeakPolarHBondContact CA-O 3.31Å |
| 692 | R | 89.9 | Confident | 84.1 | Confident | 94 Ų | 94 | 43.3 Ų | 43.3 | 36% | 0.355 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 146.2 | 176.1 | -169.1 | 169.7 | -176.3 | 176.9 | 0.9 | 109.8 | L694 D699 D704 F747 | R692-L694 HydrophobicContact CB-CD2 4.45Å; R692-L694 HydrophobicContact CG-CD2 4.12Å; R692-D699 PolarHBondContact NE-O 3.19Å; R692-D699 PolarHBondContact NH2-O 3.11Å; R692-D704 VanDerWaalsContact CD-OD1 3.23Å; R692-D704 WeakPolarHBondContact CD-OD1 3.47Å; R692-D704 VanDerWaalsContact CG-OD1 3.31Å; R692-D704 WeakPolarHBondContact CG-OD1 2.84Å; R692-D704 IonicContact NE-OD1 3.86Å; R692-F747 PolarHBondContact N-O 3.01Å; R692-F747 PolarHBondContact O-N 3.47Å |
| 693 | L | 88.9 | Confident | 84.3 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 125.9 | 167.2 | -68.3 | 178.3 | 0 | 0 | 0 | 109.4 | I672 T696 L702 V732 L745 L746 L770 | I672-L693 HydrophobicContact CD1-CD1 4.41Å; I672-L693 HydrophobicContact CD1-CD2 4.17Å; L693-T696 HydrophobicContact CB-CG2 3.65Å; L693-L702 HydrophobicContact CB-CD1 4.01Å; L693-L702 HydrophobicContact CD1-CD1 3.99Å; L693-V732 HydrophobicContact CD1-CG1 4.12Å; L693-V732 HydrophobicContact CD1-CG2 3.74Å; L693-L745 CarbonylContact C-O 3.58Å; L693-L745 WeakPolarHBondContact CA-O 3.2Å; L693-L746 HydrophobicContact CD2-CB 3.98Å; L693-L746 HydrophobicContact CD2-CD1 3.79Å; L693-L746 HydrophobicContact CD2-CG 4.49Å; L693-L770 HydrophobicContact CD2-CD1 3.48Å; L693-L770 VanDerWaalsContact CD2-CD1 3.48Å; L693-L770 HydrophobicContact CD2-CG 4.28Å |
| 694 | L | 87.2 | Confident | 84.6 | Confident | 55 Ų | 55 | 54.8 Ų | 54.8 | 29% | 0.288 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 153.3 | -177.8 | -56.3 | 175.5 | 0 | 0 | 0 | 109.6 | R692 T696 S744 L745 F747 | R692-L694 HydrophobicContact CB-CD2 4.45Å; R692-L694 HydrophobicContact CG-CD2 4.12Å; L694-T696 PolarHBondContact O-N 3.2Å; L694-S744 WeakPolarHBondContact O-CA 3.37Å; L694-L745 HydrophobicContact CB-CB 4.37Å; L694-L745 PolarHBondContact N-O 2.93Å; L694-L745 PolarHBondContact O-N 3.17Å; L694-F747 HydrophobicContact CD1-CB 3.89Å; L694-F747 HydrophobicContact CG-CB 4.42Å |
| 695 | N | 86.8 | Confident | 84.8 | Confident | 89 Ų | 89 | 55 Ų | 55 | 48% | 0.476 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 61.8 | 24.3 | 177 | -61.6 | -22 | 0 | 0 | 0 | 114.3 | K697 D699 S741 N743 | N695-K697 VanDerWaalsContact C-N 3.34Å; N695-D699 PolarHBondContact N-OD1 3.47Å; N695-D699 PolarHBondContact N-OD2 3.38Å; N695-S741 WeakPolarHBondContact O-CB 3.31Å; N695-S741 PolarHBondContact O-OG 3.13Å; N695-N743 WeakPolarHBondContact CB-O 3.17Å |
| 696 | T | 82.2 | Confident | 85 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -81.4 | -10.4 | -177.1 | 67.2 | 0 | 0 | 0 | 0 | 114.5 | L693 L694 Y698 D699 L702 L740 S741 | L693-T696 HydrophobicContact CB-CG2 3.65Å; L694-T696 PolarHBondContact O-N 3.2Å; T696-Y698 PolarHBondContact O-N 2.84Å; T696-Y698 PolarHBondContact OG1-N 3.07Å; T696-Y698 VanDerWaalsContact OG1-N 3.08Å; T696-D699 WeakPolarHBondContact CA-OD1 3.12Å; T696-D699 WeakPolarHBondContact CB-OD1 3.37Å; T696-D699 PolarHBondContact N-OD1 2.8Å; T696-D699 PolarHBondContact OG1-N 3.37Å; T696-D699 PolarHBondContact OG1-OD1 2.64Å; T696-L702 HydrophobicContact CG2-CD1 3.71Å; T696-L702 WeakPolarHBondContact OG1-CD1 3.32Å; T696-L740 HydrophobicContact CG2-CD2 3.86Å; T696-S741 PolarHBondContact O-N 3.15Å |
| 697 | K | 81.4 | Confident | 85 | Confident | 146 Ų | 146 | 58.1 Ų | 58.1 | 64% | 0.635 | 28% | 0.282 | S | S | * | . | S | Bend | trans | 75 | -14.4 | -162.6 | -54.7 | 173.5 | 179.4 | 174.7 | 0 | 114.8 | N695 | N695-K697 VanDerWaalsContact C-N 3.34Š|
| 698 | Y | 82.2 | Confident | 84.9 | Confident | 61 Ų | 61 | 57.9 Ų | 57.9 | 24% | 0.239 | 28% | 0.281 | C | S | . | . | trans | -129.8 | 34.6 | -176.9 | -52.4 | -74.5 | 0 | 0 | 0 | 111 | T696 E700 E701 L702 L734 K738 T739 | T696-Y698 PolarHBondContact O-N 2.84Å; T696-Y698 PolarHBondContact OG1-N 3.07Å; T696-Y698 VanDerWaalsContact OG1-N 3.08Å; Y698-E700 PolarHBondContact O-N 3.27Å; Y698-E700 VanDerWaalsContact O-N 3.08Å; Y698-E701 PolarHBondContact O-N 3.15Å; Y698-L702 PolarHBondContact O-N 2.9Å; Y698-L734 HydrophobicContact CD2-CD1 4.13Å; Y698-L734 HydrophobicContact CD2-CD2 4.35Å; Y698-L734 HydrophobicContact CE2-CD1 4.42Å; Y698-K738 HydrophobicContact CD1-CD 4Å; Y698-K738 HydrophobicContact CE1-CD 3.72Å; Y698-K738 HydrophobicContact CE1-CG 4.11Å; Y698-K738 HydrophobicContact CE2-CB 3.93Å; Y698-K738 HydrophobicContact CE2-CD 4.28Å; Y698-K738 HydrophobicContact CE2-CG 4.24Å; Y698-K738 HydrophobicContact CG-CD 4.41Å; Y698-T739 WeakPolarHBondContact CE2-O 2.98Å | ||
| 699 | D | 77.8 | Confident | 84.5 | Confident | 41 Ų | 41 | 57.2 Ų | 57.2 | 22% | 0.219 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -24.3 | -172.3 | -65.1 | -0.6 | 0 | 0 | 0 | 113.4 | R692 N695 T696 | R692-D699 PolarHBondContact NE-O 3.19Å; R692-D699 PolarHBondContact NH2-O 3.11Å; N695-D699 PolarHBondContact N-OD1 3.47Å; N695-D699 PolarHBondContact N-OD2 3.38Å; T696-D699 WeakPolarHBondContact CA-OD1 3.12Å; T696-D699 WeakPolarHBondContact CB-OD1 3.37Å; T696-D699 PolarHBondContact N-OD1 2.8Å; T696-D699 PolarHBondContact OG1-N 3.37Å; T696-D699 PolarHBondContact OG1-OD1 2.64Å |
| 700 | E | 75.9 | Confident | 83.5 | Confident | 184 Ų | 184 | 60.4 Ų | 60.4 | 86% | 0.86 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -23.5 | 176.7 | -63.3 | -170.3 | 168.7 | 0 | 0 | 113.5 | Y698 | Y698-E700 PolarHBondContact O-N 3.27Å; Y698-E700 VanDerWaalsContact O-N 3.08Å |
| 701 | E | 78 | Confident | 82.4 | Confident | 112 Ų | 112 | 60.9 Ų | 60.9 | 52% | 0.523 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -24.8 | 179.2 | -61.3 | -175.8 | -168.1 | 0 | 0 | 112.2 | Y698 K738 | Y698-E701 PolarHBondContact O-N 3.15Å; E701-K738 IonicContact OE1-NZ 3.71Å; E701-K738 PolarHBondContact OE1-NZ 3.24Å; E701-K738 IonicContact OE2-NZ 2.73Å; E701-K738 PolarHBondContact OE2-NZ 3.1Å |
| 702 | L | 79.7 | Confident | 80.9 | Confident | 30 Ų | 30 | 63.4 Ų | 63.4 | 16% | 0.157 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -81.4 | 132.7 | -179.5 | -67.2 | 171.4 | 0 | 0 | 0 | 110.9 | L693 T696 Y698 V732 L734 L740 | L693-L702 HydrophobicContact CB-CD1 4.01Å; L693-L702 HydrophobicContact CD1-CD1 3.99Å; T696-L702 HydrophobicContact CG2-CD1 3.71Å; T696-L702 WeakPolarHBondContact OG1-CD1 3.32Å; Y698-L702 PolarHBondContact O-N 2.9Å; L702-V732 HydrophobicContact CD2-CG1 4.18Å; L702-L734 HydrophobicContact CD2-CD2 4.12Å; L702-L740 HydrophobicContact CD1-CD2 4.37Å |
| 703 | L | 80.8 | Confident | 79.1 | Confident | 155 Ų | 155 | 65.3 Ų | 65.3 | 81% | 0.812 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 140.7 | 178.4 | -68.1 | 168.9 | 0 | 0 | 0 | 111.2 | ||
| 704 | D | 84.3 | Confident | 77.2 | Confident | 99 Ų | 99 | 72 Ų | 72 | 53% | 0.529 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 138.9 | 169.9 | -73.6 | -20 | 0 | 0 | 0 | 110.4 | G691 R692 | G691-D704 CarbonylContact O-C 3.59Å; R692-D704 VanDerWaalsContact CD-OD1 3.23Å; R692-D704 WeakPolarHBondContact CD-OD1 3.47Å; R692-D704 VanDerWaalsContact CG-OD1 3.31Å; R692-D704 WeakPolarHBondContact CG-OD1 2.84Å; R692-D704 IonicContact NE-OD1 3.86Å |
| 705 | I | 87 | Confident | 75.4 | Confident | 8 Ų | 8 | 73.5 Ų | 73.5 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 129.5 | 172.8 | -61.5 | 170.2 | 0 | 0 | 0 | 107.8 | I672 T690 G691 T707 F730 L746 L748 | I672-I705 HydrophobicContact CD1-CD1 4.12Å; I672-I705 HydrophobicContact CG2-CD1 4.24Å; T690-I705 CarbonylContact C-O 3.49Å; T690-I705 WeakPolarHBondContact CA-O 3.4Å; G691-I705 PolarHBondContact N-O 3.48Å; G691-I705 PolarHBondContact O-N 3.44Å; I705-T707 HydrophobicContact CG2-CG2 4.33Å; I705-F730 HydrophobicContact CB-CD1 4.32Å; I705-F730 HydrophobicContact CB-CD2 4.45Å; I705-F730 HydrophobicContact CB-CE1 4.28Å; I705-F730 HydrophobicContact CB-CE2 4.43Å; I705-F730 HydrophobicContact CB-CG 4.42Å; I705-F730 HydrophobicContact CB-CZ 4.35Å; I705-F730 HydrophobicContact CG1-CB 4.33Å; I705-F730 HydrophobicContact CG1-CD1 3.9Å; I705-F730 HydrophobicContact CG1-CD2 4.27Å; I705-F730 HydrophobicContact CG1-CE1 4.35Å; I705-F730 HydrophobicContact CG1-CG 3.87Å; I705-F730 HydrophobicContact CG2-CD2 3.82Å; I705-F730 HydrophobicContact CG2-CE1 4.39Å; I705-F730 HydrophobicContact CG2-CE2 3.69Å; I705-F730 HydrophobicContact CG2-CG 4.27Å; I705-F730 HydrophobicContact CG2-CZ 3.99Å; I705-L746 HydrophobicContact CD1-CD1 3.66Å; I705-L748 HydrophobicContact CD1-CD2 4.18Å |
| 706 | L | 87.5 | Confident | 73.6 | Confident | 67 Ų | 67 | 75.3 Ų | 75.3 | 35% | 0.351 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 112.1 | 171.9 | 174.3 | 63.6 | 0 | 0 | 0 | 109 | K688 T690 F730 L849 | K688-L706 HydrophobicContact CD-CD1 3.59Å; K688-L706 HydrophobicContact CG-CD1 3.69Å; T690-L706 HydrophobicContact CG2-CD1 4.16Å; L706-F730 VanDerWaalsContact N-CZ 3.31Å; L706-F730 WeakPolarHBondContact O-CZ 3.39Å; L706-L849 HydrophobicContact CD1-CD2 4.1Å; L706-L849 HydrophobicContact CD2-CD2 3.95Å; L706-L849 HydrophobicContact CG-CD2 4.29Å |
| 707 | T | 86.8 | Confident | 72.3 | Confident | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.012 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 145.7 | 175.7 | 59.4 | 0 | 0 | 0 | 0 | 110.9 | I674 V689 I705 F724 Q728 F730 | I674-T707 HydrophobicContact CD1-CG2 4.39Å; I674-T707 WeakPolarHBondContact CD1-OG1 3.35Å; V689-T707 WeakPolarHBondContact CB-OG1 3.2Å; V689-T707 PolarHBondContact N-O 3.41Å; V689-T707 PolarHBondContact O-N 2.93Å; I705-T707 HydrophobicContact CG2-CG2 4.33Å; T707-F724 WeakPolarHBondContact OG1-CE1 3.16Å; T707-Q728 VanDerWaalsContact CB-OE1 3.27Å; T707-Q728 HydrophobicContact CG2-CB 4.15Å; T707-F730 HydrophobicContact CG2-CD2 4.39Å; T707-F730 HydrophobicContact CG2-CE2 3.49Å; T707-F730 VanDerWaalsContact CG2-CE2 3.49Å; T707-F730 HydrophobicContact CG2-CZ 4.26Å |
| 708 | V | 86.4 | Confident | 71.5 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | trans | -132.9 | 133.3 | 176.8 | 178.8 | 0 | 0 | 0 | 0 | 106.8 | K688 E710 Q728 Y845 T848 L849 | K688-V708 HydrophobicContact CB-CG2 4.39Å; V708-E710 PolarHBondContact O-N 3.39Å; V708-Q728 PolarHBondContact O-NE2 3.02Å; V708-Q728 PolarHBondContact O-OE1 3.27Å; V708-Y845 HydrophobicContact CB-CD2 4.05Å; V708-Y845 HydrophobicContact CB-CE2 3.86Å; V708-Y845 HydrophobicContact CG1-CD2 4.25Å; V708-Y845 HydrophobicContact CG2-CE2 4.33Å; V708-T848 HydrophobicContact CG1-CG2 3.57Å; V708-L849 HydrophobicContact CG2-CD2 3.48Å; V708-L849 VanDerWaalsContact CG2-CD2 3.48Å; V708-L849 HydrophobicContact CG2-CG 3.99Å | ||
| 709 | P | 81.8 | Confident | 70.8 | Confident | 11 Ų | 11 | 67.5 Ų | 67.5 | 7% | 0.071 | 34% | 0.337 | C | S | . | . | trans | -56.5 | 134.9 | 174.3 | -22.5 | 32.6 | 0 | 0 | 0 | 111.3 | F687 P722 F724 I815 | F687-P709 HydrophobicContact CB-CG 4.17Å; F687-P709 VanDerWaalsContact O-CD 3.27Å; F687-P709 WeakPolarHBondContact O-CD 3.39Å; P709-P722 HydrophobicContact CB-CB 3.79Å; P709-P722 HydrophobicContact CG-CB 3.84Å; P709-P722 HydrophobicContact CG-CG 4.08Å; P709-F724 HydrophobicContact CG-CD1 4.36Å; P709-F724 HydrophobicContact CG-CE1 3.76Å; P709-F724 HydrophobicContact CG-CE2 4.13Å; P709-F724 HydrophobicContact CG-CZ 3.62Å; P709-I815 HydrophobicContact CB-CD1 3.75Å | ||
| 710 | E | 70.4 | Confident | 70.6 | Confident | 70 Ų | 70 | 66.2 Ų | 66.2 | 33% | 0.327 | 33% | 0.329 | S | S | . | . | trans | -100.9 | 136.5 | 174.6 | -81.8 | 173.7 | -159.2 | 0 | 0 | 108.9 | V708 N712 S725 Q728 | V708-E710 PolarHBondContact O-N 3.39Å; E710-N712 PolarHBondContact O-N 3.15Å; E710-N712 VanDerWaalsContact O-N 3.09Å; E710-S725 WeakPolarHBondContact OE2-CB 3.4Å; E710-Q728 PolarHBondContact OE1-NE2 3.29Å | ||
| 711 | E | 66.6 | Low | 70.5 | Confident | 41 Ų | 41 | 58.5 Ų | 58.5 | 19% | 0.192 | 30% | 0.296 | C | S | . | . | trans | -72.7 | 104.7 | 175.3 | -175.7 | 175.9 | -130.3 | 0 | 0 | 109.7 | R816 L844 | E711-R816 WeakPolarHBondContact OE1-CB 3.45Å; E711-R816 PolarHBondContact OE1-N 3.27Å; E711-R816 IonicContact OE1-NE 2.79Å; E711-R816 IonicContact OE2-CZ 3.25Å; E711-R816 VanDerWaalsContact OE2-CZ 3.23Å; E711-R816 IonicContact OE2-NE 3.13Å; E711-R816 PolarHBondContact OE2-NE 3.2Å; E711-R816 IonicContact OE2-NH2 2.77Å; E711-R816 PolarHBondContact OE2-NH2 3.25Å; E711-L844 HydrophobicContact CB-CD1 4.4Å; E711-L844 VanDerWaalsContact OE2-CD1 3.24Å; E711-L844 WeakPolarHBondContact OE2-CD1 3.22Å | ||
| 712 | N | 57.7 | Low | 70.6 | Confident | 56 Ų | 56 | 53.2 Ų | 53.2 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | trans | -85.5 | 120.6 | 166.8 | -70.5 | -57.7 | 0 | 0 | 0 | 110.4 | E710 D714 I715 E717 | E710-N712 PolarHBondContact O-N 3.15Å; E710-N712 VanDerWaalsContact O-N 3.09Å; N712-D714 PolarHBondContact O-N 2.74Å; N712-I715 HydrophobicContact CB-CB 4.06Å; N712-I715 HydrophobicContact CB-CD1 4.12Å; N712-I715 HydrophobicContact CB-CG1 4.07Å; N712-I715 PolarHBondContact O-N 3.28Å; N712-E717 WeakPolarHBondContact CB-OE1 3.39Å; N712-E717 PolarHBondContact ND2-OE1 3.41Å | ||
| 713 | L | 52.9 | Low | 70.5 | Confident | 134 Ų | 134 | 53.1 Ų | 53.1 | 70% | 0.702 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -28 | 174.7 | -81.2 | 146.3 | 0 | 0 | 0 | 112.8 | ||
| 714 | D | 48.3 | Very low | 70.6 | Confident | 150 Ų | 150 | 46 Ų | 46 | 80% | 0.802 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -17.9 | -173.6 | -64.9 | -33.4 | 0 | 0 | 0 | 113.8 | N712 | N712-D714 PolarHBondContact O-N 2.74Š|
| 715 | I | 49.3 | Very low | 70.2 | Confident | 87 Ų | 87 | 41.8 Ų | 41.8 | 45% | 0.446 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -110.1 | 136.9 | -173.6 | -54.5 | 175.9 | 0 | 0 | 0 | 109.4 | N712 E717 V723 | N712-I715 HydrophobicContact CB-CB 4.06Å; N712-I715 HydrophobicContact CB-CD1 4.12Å; N712-I715 HydrophobicContact CB-CG1 4.07Å; N712-I715 PolarHBondContact O-N 3.28Å; I715-E717 HydrophobicContact CB-CG 4.32Å; I715-E717 HydrophobicContact CG2-CG 4.11Å; I715-E717 PolarHBondContact O-N 3.42Å; I715-V723 HydrophobicContact CG2-CG2 4.49Å |
| 716 | R | 49.3 | Very low | 69.3 | Low | 126 Ų | 126 | 45.9 Ų | 45.9 | 48% | 0.475 | 24% | 0.239 | S | C | . | . | trans | -71.2 | 58.5 | 178.9 | -67.6 | -174.2 | -176.5 | 172.5 | 11.1 | 112.6 | N38 T718 | N38-R716 VanDerWaalsContact OD1-CG 3.31Å; N38-R716 WeakPolarHBondContact OD1-CG 3.33Å; N38-R716 PolarHBondContact OD1-NE 3.34Å; N38-R716 VanDerWaalsContact OD1-NE 3.11Å; R716-T718 PolarHBondContact O-N 3.21Å | ||
| 717 | E | 54.9 | Low | 68.7 | Low | 16 Ų | 16 | 49.4 Ų | 49.4 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | trans | -70.7 | 119.1 | 176.2 | -66.8 | 177 | -161.4 | 0 | 0 | 109.3 | N712 I715 V723 | N712-E717 WeakPolarHBondContact CB-OE1 3.39Å; N712-E717 PolarHBondContact ND2-OE1 3.41Å; I715-E717 HydrophobicContact CB-CG 4.32Å; I715-E717 HydrophobicContact CG2-CG 4.11Å; I715-E717 PolarHBondContact O-N 3.42Å; E717-V723 HydrophobicContact CG-CB 3.88Å; E717-V723 HydrophobicContact CG-CG2 3.93Å | ||
| 718 | T | 63.4 | Low | 68.2 | Low | 21 Ų | 21 | 50.6 Ų | 50.6 | 13% | 0.129 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -96.4 | 148.1 | 168.2 | 72.7 | 0 | 0 | 0 | 0 | 107.5 | R716 R720 S721 K812 | R716-T718 PolarHBondContact O-N 3.21Å; T718-R720 PolarHBondContact O-N 3.48Å; T718-R720 PolarHBondContact OG1-N 3.39Å; T718-S721 CarbonylContact O-C 3.48Å; T718-S721 PolarHBondContact O-N 3.22Å; T718-S721 PolarHBondContact OG1-N 3.42Å; T718-K812 HydrophobicContact CG2-CB 3.77Å; T718-K812 HydrophobicContact CG2-CD 4.37Å; T718-K812 HydrophobicContact CG2-CG 3.64Å |
| 719 | S | 68.9 | Low | 67.9 | Low | 7 Ų | 7 | 58 Ų | 58 | 5% | 0.049 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -20.5 | 171.1 | 66.6 | 0 | 0 | 0 | 0 | 112.4 | F687 K813 M818 | F687-S719 WeakPolarHBondContact CE2-O 3.34Å; F687-S719 WeakPolarHBondContact CZ-O 3.43Å; S719-K813 WeakPolarHBondContact CB-O 3.42Å; S719-K813 PolarHBondContact N-O 3.44Å; S719-K813 PolarHBondContact OG-O 3.09Å; S719-M818 VanDerWaalsContact CB-CG 3.45Å |
| 720 | R | 72.8 | Confident | 68 | Low | 14 Ų | 14 | 59.9 Ų | 59.9 | 5% | 0.053 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -20.1 | 176.5 | -64.2 | -173.3 | -56.2 | 176.6 | -0.9 | 113.1 | F679 M680 D682 T718 F805 D808 | F679-R720 PolarHBondContact N-O 3.41Å; F679-R720 VanDerWaalsContact N-O 3.15Å; M680-R720 WeakPolarHBondContact CB-O 3.34Å; M680-R720 PolarHBondContact N-O 2.78Å; D682-R720 WeakPolarHBondContact OD1-CD 3.22Å; D682-R720 IonicContact OD1-NH1 2.79Å; D682-R720 PolarHBondContact OD1-NH1 2.96Å; T718-R720 PolarHBondContact O-N 3.48Å; T718-R720 PolarHBondContact OG1-N 3.39Å; R720-F805 HydrophobicContact CB-CD1 4.16Å; R720-F805 HydrophobicContact CB-CE1 3.89Å; R720-F805 HydrophobicContact CG-CE1 4.1Å; R720-F805 PolarHBondContact NH2-O 3.01Å; R720-D808 IonicContact NH1-OD2 3.64Å; R720-D808 PolarHBondContact NH2-O 2.81Å |
| 721 | S | 74.6 | Confident | 68.6 | Low | 22 Ų | 22 | 61.4 Ų | 61.4 | 15% | 0.154 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -142.1 | 66.2 | 176.3 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | Q676 L677 F679 T718 | Q676-S721 PolarHBondContact NE2-O 3.1Å; L677-S721 CarbonylContact O-C 3.57Å; L677-S721 WeakPolarHBondContact O-CA 3.32Å; F679-S721 PolarHBondContact N-OG 3.19Å; T718-S721 CarbonylContact O-C 3.48Å; T718-S721 PolarHBondContact O-N 3.22Å; T718-S721 PolarHBondContact OG1-N 3.42Å |
| 722 | P | 79.6 | Confident | 69.2 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -73.5 | 141.4 | -174.7 | 32 | -36.4 | 0 | 0 | 0 | 111.7 | Q676 L677 F687 P709 I815 | Q676-P722 WeakPolarHBondContact CA-O 3.38Å; Q676-P722 VanDerWaalsContact CG-O 3.24Å; Q676-P722 WeakPolarHBondContact CG-O 3.26Å; L677-P722 HydrophobicContact CB-CG 4.02Å; L677-P722 HydrophobicContact CD1-CG 4.32Å; L677-P722 PolarHBondContact N-O 3.03Å; L677-P722 WeakPolarHBondContact O-CD 3.38Å; F687-P722 HydrophobicContact CD2-CG 3.73Å; F687-P722 HydrophobicContact CE2-CG 4.04Å; F687-P722 HydrophobicContact CG-CG 4.31Å; P709-P722 HydrophobicContact CB-CB 3.79Å; P709-P722 HydrophobicContact CG-CB 3.84Å; P709-P722 HydrophobicContact CG-CG 4.08Å; P722-I815 HydrophobicContact CB-CD1 4.43Å | ||
| 723 | V | 78.1 | Confident | 70.1 | Confident | 29 Ų | 29 | 62.7 Ų | 62.7 | 18% | 0.176 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -99.2 | 149.4 | -178.8 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | D675 Q676 I715 E717 | D675-V723 WeakPolarHBondContact O-CG1 3.37Å; Q676-V723 HydrophobicContact CB-CG2 4.37Å; Q676-V723 HydrophobicContact CG-CG2 3.78Å; I715-V723 HydrophobicContact CG2-CG2 4.49Å; E717-V723 HydrophobicContact CG-CB 3.88Å; E717-V723 HydrophobicContact CG-CG2 3.93Å |
| 724 | F | 81.4 | Confident | 70.9 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | trans | -107.2 | 149.3 | 176.8 | -65 | -101.5 | 0 | 0 | 0 | 109.6 | I674 D675 L677 V689 T707 P709 | I674-F724 HydrophobicContact CB-CD2 4.42Å; I674-F724 HydrophobicContact CB-CG 4.43Å; I674-F724 HydrophobicContact CG2-CD2 3.68Å; I674-F724 HydrophobicContact CG2-CE2 3.87Å; I674-F724 HydrophobicContact CG2-CG 4.16Å; I674-F724 HydrophobicContact CG2-CZ 4.42Å; I674-F724 VanDerWaalsContact O-CB 3.22Å; I674-F724 WeakPolarHBondContact O-CB 3.46Å; D675-F724 PolarHBondContact O-N 3.19Å; L677-F724 HydrophobicContact CB-CE2 4.31Å; L677-F724 HydrophobicContact CD1-CE2 4.03Å; L677-F724 HydrophobicContact CD1-CZ 3.81Å; L677-F724 HydrophobicContact CG-CE2 3.69Å; L677-F724 HydrophobicContact CG-CZ 3.94Å; V689-F724 HydrophobicContact CG2-CE1 4.04Å; V689-F724 HydrophobicContact CG2-CZ 3.61Å; T707-F724 WeakPolarHBondContact OG1-CE1 3.16Å; P709-F724 HydrophobicContact CG-CD1 4.36Å; P709-F724 HydrophobicContact CG-CE1 3.76Å; P709-F724 HydrophobicContact CG-CE2 4.13Å; P709-F724 HydrophobicContact CG-CZ 3.62Å | ||
| 725 | S | 76.5 | Confident | 71.8 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | trans | -70.1 | 132.2 | 177.8 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | E710 N727 Q728 | E710-S725 WeakPolarHBondContact OE2-CB 3.4Å; S725-N727 PolarHBondContact O-N 3.1Å; S725-Q728 WeakPolarHBondContact O-CB 3.42Å; S725-Q728 PolarHBondContact O-N 2.85Å | ||
| 726 | P | 68.5 | Low | 72.4 | Confident | 93 Ų | 93 | 59.2 Ų | 59.2 | 60% | 0.604 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -14.6 | 176.2 | 22.3 | -30.5 | 0 | 0 | 0 | 113.1 | Q728 | P726-Q728 VanDerWaalsContact C-N 3.27Å; P726-Q728 PolarHBondContact O-N 3.06Å |
| 727 | N | 74.6 | Confident | 73.2 | Confident | 141 Ų | 141 | 60.7 Ų | 60.7 | 75% | 0.754 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -21.2 | 173.4 | -63.2 | -20.1 | 0 | 0 | 0 | 112.7 | S725 R729 | S725-N727 PolarHBondContact O-N 3.1Å; N727-R729 PolarHBondContact O-N 3.17Å |
| 728 | Q | 76.1 | Confident | 74.2 | Confident | 27 Ų | 27 | 62.4 Ų | 62.4 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | trans | -81.3 | 57.7 | 175.6 | -62.7 | -174.6 | 9.8 | 0 | 0 | 111.2 | T707 V708 E710 S725 P726 | T707-Q728 VanDerWaalsContact CB-OE1 3.27Å; T707-Q728 HydrophobicContact CG2-CB 4.15Å; V708-Q728 PolarHBondContact O-NE2 3.02Å; V708-Q728 PolarHBondContact O-OE1 3.27Å; E710-Q728 PolarHBondContact OE1-NE2 3.29Å; S725-Q728 WeakPolarHBondContact O-CB 3.42Å; S725-Q728 PolarHBondContact O-N 2.85Å; P726-Q728 VanDerWaalsContact C-N 3.27Å; P726-Q728 PolarHBondContact O-N 3.06Å | ||
| 729 | R | 80.1 | Confident | 74.9 | Confident | 158 Ų | 158 | 64.3 Ų | 64.3 | 60% | 0.596 | 34% | 0.335 | S | S | * | . | trans | -99 | 138 | 177.7 | 66.4 | -177 | -178.8 | 176.8 | -1 | 111.7 | N727 | N727-R729 PolarHBondContact O-N 3.17Š| ||
| 730 | F | 83.1 | Confident | 75.6 | Confident | 49 Ų | 49 | 64.3 Ų | 64.3 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 104.6 | 177.9 | -71.8 | -94.3 | 0 | 0 | 0 | 109 | C671 I672 I705 L706 T707 | C671-F730 CarbonylContact C-O 3.48Å; C671-F730 VanDerWaalsContact CA-O 3.32Å; C671-F730 WeakPolarHBondContact CA-O 3.15Å; I672-F730 HydrophobicContact CB-CB 4.36Å; I672-F730 PolarHBondContact N-O 3.03Å; I672-F730 PolarHBondContact O-N 3.49Å; I705-F730 HydrophobicContact CB-CD1 4.32Å; I705-F730 HydrophobicContact CB-CD2 4.45Å; I705-F730 HydrophobicContact CB-CE1 4.28Å; I705-F730 HydrophobicContact CB-CE2 4.43Å; I705-F730 HydrophobicContact CB-CG 4.42Å; I705-F730 HydrophobicContact CB-CZ 4.35Å; I705-F730 HydrophobicContact CG1-CB 4.33Å; I705-F730 HydrophobicContact CG1-CD1 3.9Å; I705-F730 HydrophobicContact CG1-CD2 4.27Å; I705-F730 HydrophobicContact CG1-CE1 4.35Å; I705-F730 HydrophobicContact CG1-CG 3.87Å; I705-F730 HydrophobicContact CG2-CD2 3.82Å; I705-F730 HydrophobicContact CG2-CE1 4.39Å; I705-F730 HydrophobicContact CG2-CE2 3.69Å; I705-F730 HydrophobicContact CG2-CG 4.27Å; I705-F730 HydrophobicContact CG2-CZ 3.99Å; L706-F730 VanDerWaalsContact N-CZ 3.31Å; L706-F730 WeakPolarHBondContact O-CZ 3.39Å; T707-F730 HydrophobicContact CG2-CD2 4.39Å; T707-F730 HydrophobicContact CG2-CE2 3.49Å; T707-F730 VanDerWaalsContact CG2-CE2 3.49Å; T707-F730 HydrophobicContact CG2-CZ 4.26Å |
| 731 | I | 82.9 | Confident | 76.1 | Confident | 103 Ų | 103 | 64.7 Ų | 64.7 | 53% | 0.528 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 115.9 | 177.5 | -57.6 | 173.8 | 0 | 0 | 0 | 108 | C671 N733 | C671-I731 HydrophobicContact CB-CG1 4.43Å; I731-N733 HydrophobicContact CG2-CB 4.28Å |
| 732 | V | 81.2 | Confident | 76.4 | Confident | 12 Ų | 12 | 68.3 Ų | 68.3 | 7% | 0.073 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 102.8 | 173.2 | -176.2 | 0 | 0 | 0 | 0 | 106.8 | P669 F670 I672 L693 L702 L740 | P669-V732 VanDerWaalsContact CA-O 3.26Å; P669-V732 WeakPolarHBondContact CA-O 3.29Å; F670-V732 HydrophobicContact CD1-CB 4.24Å; F670-V732 HydrophobicContact CD2-CB 4.41Å; F670-V732 HydrophobicContact CD2-CG2 4.39Å; F670-V732 HydrophobicContact CE1-CB 3.86Å; F670-V732 HydrophobicContact CE1-CG1 3.82Å; F670-V732 HydrophobicContact CE1-CG2 4.43Å; F670-V732 HydrophobicContact CE2-CB 4.05Å; F670-V732 HydrophobicContact CE2-CG2 3.8Å; F670-V732 HydrophobicContact CG-CB 4.5Å; F670-V732 HydrophobicContact CZ-CB 3.76Å; F670-V732 HydrophobicContact CZ-CG1 3.85Å; F670-V732 HydrophobicContact CZ-CG2 3.82Å; F670-V732 PolarHBondContact N-O 3.33Å; F670-V732 PolarHBondContact O-N 2.95Å; I672-V732 HydrophobicContact CD1-CG2 4.12Å; I672-V732 HydrophobicContact CG1-CG2 4.48Å; L693-V732 HydrophobicContact CD1-CG1 4.12Å; L693-V732 HydrophobicContact CD1-CG2 3.74Å; L702-V732 HydrophobicContact CD2-CG1 4.18Å; V732-L740 HydrophobicContact CG1-CD1 4.24Å |
| 733 | N | 75.6 | Confident | 76.6 | Confident | 111 Ų | 111 | 72.9 Ų | 72.9 | 59% | 0.594 | 38% | 0.378 | S | S | * | . | trans | -130.2 | 110.5 | 177 | -173.5 | 6 | 0 | 0 | 0 | 109 | P669 I731 | P669-N733 HydrophobicContact CB-CB 4.06Å; I731-N733 HydrophobicContact CG2-CB 4.28Å | ||
| 734 | L | 69 | Low | 77 | Confident | 23 Ų | 23 | 71.5 Ų | 71.5 | 12% | 0.12 | 37% | 0.37 | C | S | . | . | trans | -86.4 | 143.7 | 173.5 | -68.3 | 176.6 | 0 | 0 | 0 | 109.5 | Y698 L702 K738 L740 | Y698-L734 HydrophobicContact CD2-CD1 4.13Å; Y698-L734 HydrophobicContact CD2-CD2 4.35Å; Y698-L734 HydrophobicContact CE2-CD1 4.42Å; L702-L734 HydrophobicContact CD2-CD2 4.12Å; L734-K738 HydrophobicContact CB-CB 3.85Å; L734-K738 HydrophobicContact CD1-CB 4.08Å; L734-K738 HydrophobicContact CG-CB 4.42Å; L734-L740 HydrophobicContact CD1-CD2 3.66Å; L734-L740 HydrophobicContact CD1-CG 3.63Å; L734-L740 HydrophobicContact CG-CD2 4.47Å | ||
| 735 | S | 67.2 | Low | 77.3 | Confident | 73 Ų | 73 | 73.1 Ų | 73.1 | 51% | 0.51 | 38% | 0.379 | S | S | . | . | trans | -50.8 | 149.3 | 173.1 | 56.4 | 0 | 0 | 0 | 0 | 111.8 | N737 K738 | S735-N737 PolarHBondContact O-N 3.43Å; S735-K738 PolarHBondContact O-N 3.28Å; S735-K738 WeakPolarHBondContact OG-CD 3.36Å | ||
| 736 | Q | 62.9 | Low | 78 | Confident | 203 Ų | 203 | 73.1 Ų | 73.1 | 95% | 0.949 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -4.9 | -164 | -73.5 | -179.8 | -16 | 0 | 0 | 119.4 | ||
| 737 | N | 66.3 | Low | 79.1 | Confident | 156 Ų | 156 | 71 Ų | 71 | 83% | 0.834 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124 | 3.8 | 177.8 | -65.9 | -20.8 | 0 | 0 | 0 | 114.6 | S735 | S735-N737 PolarHBondContact O-N 3.43Š|
| 738 | K | 75.5 | Confident | 79.9 | Confident | 52 Ų | 52 | 65.6 Ų | 65.6 | 23% | 0.226 | 33% | 0.33 | C | S | . | . | trans | -102.7 | 127.9 | -176.2 | -70.8 | -173.9 | -171.9 | -171.7 | 0 | 110.2 | Y698 E701 L734 S735 | Y698-K738 HydrophobicContact CD1-CD 4Å; Y698-K738 HydrophobicContact CE1-CD 3.72Å; Y698-K738 HydrophobicContact CE1-CG 4.11Å; Y698-K738 HydrophobicContact CE2-CB 3.93Å; Y698-K738 HydrophobicContact CE2-CD 4.28Å; Y698-K738 HydrophobicContact CE2-CG 4.24Å; Y698-K738 HydrophobicContact CG-CD 4.41Å; E701-K738 IonicContact OE1-NZ 3.71Å; E701-K738 PolarHBondContact OE1-NZ 3.24Å; E701-K738 IonicContact OE2-NZ 2.73Å; E701-K738 PolarHBondContact OE2-NZ 3.1Å; L734-K738 HydrophobicContact CB-CB 3.85Å; L734-K738 HydrophobicContact CD1-CB 4.08Å; L734-K738 HydrophobicContact CG-CB 4.42Å; S735-K738 PolarHBondContact O-N 3.28Å; S735-K738 WeakPolarHBondContact OG-CD 3.36Å | ||
| 739 | T | 78.6 | Confident | 80.6 | Confident | 62 Ų | 62 | 67.8 Ų | 67.8 | 38% | 0.38 | 34% | 0.337 | S | S | . | . | trans | -111.3 | 138.6 | 176.8 | 51.4 | 0 | 0 | 0 | 0 | 110.9 | Y698 | Y698-T739 WeakPolarHBondContact CE2-O 2.98Š| ||
| 740 | L | 82.1 | Confident | 81.1 | Confident | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | trans | -68.1 | 153.6 | 172.9 | -70.1 | 169.1 | 0 | 0 | 0 | 110.8 | L666 F670 T696 L702 V732 L734 F771 | L666-L740 PolarHBondContact O-N 3.08Å; F670-L740 HydrophobicContact CE1-CD1 3.53Å; F670-L740 HydrophobicContact CZ-CD1 4.1Å; T696-L740 HydrophobicContact CG2-CD2 3.86Å; L702-L740 HydrophobicContact CD1-CD2 4.37Å; V732-L740 HydrophobicContact CG1-CD1 4.24Å; L734-L740 HydrophobicContact CD1-CD2 3.66Å; L734-L740 HydrophobicContact CD1-CG 3.63Å; L734-L740 HydrophobicContact CG-CD2 4.47Å; L740-F771 HydrophobicContact CB-CE2 3.83Å; L740-F771 HydrophobicContact CB-CZ 4.13Å; L740-F771 HydrophobicContact CD1-CE2 4.09Å; L740-F771 HydrophobicContact CD1-CZ 3.88Å | ||
| 741 | S | 84.1 | Confident | 81.3 | Confident | 23 Ų | 23 | 59.3 Ų | 59.3 | 16% | 0.161 | 31% | 0.305 | C | S | . | . | trans | -69.8 | 144.8 | 169.9 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | N695 T696 N743 S744 F771 | N695-S741 WeakPolarHBondContact O-CB 3.31Å; N695-S741 PolarHBondContact O-OG 3.13Å; T696-S741 PolarHBondContact O-N 3.15Å; S741-N743 PolarHBondContact O-N 2.91Å; S741-N743 PolarHBondContact OG-N 3.38Å; S741-S744 WeakPolarHBondContact O-CB 3.14Å; S741-S744 PolarHBondContact O-N 3.15Å; S741-S744 VanDerWaalsContact O-N 3.15Å; S741-S744 PolarHBondContact O-OG 3.46Å; S741-F771 WeakPolarHBondContact O-CD2 3.15Å | ||
| 742 | Q | 80 | Confident | 81.6 | Confident | 97 Ų | 97 | 54.4 Ų | 54.4 | 45% | 0.453 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -21 | 171.2 | -167.2 | 175.5 | 11.2 | 0 | 0 | 112.8 | S744 F771 | Q742-S744 VanDerWaalsContact C-N 3.32Å; Q742-F771 HydrophobicContact CG-CB 4.49Å |
| 743 | N | 84.3 | Confident | 81.8 | Confident | 96 Ų | 96 | 53.8 Ų | 53.8 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 19 | 177.5 | -67.5 | -18.7 | 0 | 0 | 0 | 113.1 | N695 S741 L745 | N695-N743 WeakPolarHBondContact CB-O 3.17Å; S741-N743 PolarHBondContact O-N 2.91Å; S741-N743 PolarHBondContact OG-N 3.38Å; N743-L745 PolarHBondContact O-N 3.19Å |
| 744 | S | 87.2 | Confident | 82 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -63.8 | 132.1 | 178.8 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | L694 S741 Q742 L770 | L694-S744 WeakPolarHBondContact O-CA 3.37Å; S741-S744 WeakPolarHBondContact O-CB 3.14Å; S741-S744 PolarHBondContact O-N 3.15Å; S741-S744 VanDerWaalsContact O-N 3.15Å; S741-S744 PolarHBondContact O-OG 3.46Å; Q742-S744 VanDerWaalsContact C-N 3.32Å; S744-L770 PolarHBondContact O-N 3.27Å | ||
| 745 | L | 88 | Confident | 82.4 | Confident | 41 Ų | 41 | 47.9 Ų | 47.9 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.4 | 179.9 | -60.7 | 174.3 | 0 | 0 | 0 | 109.8 | L693 L694 N743 L767 L768 K769 | L693-L745 CarbonylContact C-O 3.58Å; L693-L745 WeakPolarHBondContact CA-O 3.2Å; L694-L745 HydrophobicContact CB-CB 4.37Å; L694-L745 PolarHBondContact N-O 2.93Å; L694-L745 PolarHBondContact O-N 3.17Å; N743-L745 PolarHBondContact O-N 3.19Å; L745-L767 HydrophobicContact CB-CD1 4.16Å; L745-L767 HydrophobicContact CD1-CD1 4.3Å; L745-L767 HydrophobicContact CD1-CD2 4.48Å; L745-L768 CarbonylContact C-O 3.18Å; L745-L768 WeakPolarHBondContact CA-O 3.37Å; L745-K769 HydrophobicContact CD2-CB 3.99Å; L745-K769 HydrophobicContact CD2-CG 4.06Å |
| 746 | L | 89.8 | Confident | 82.7 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 117 | 166.3 | 175.1 | 62.9 | 0 | 0 | 0 | 108.7 | I672 L693 I705 L748 L767 L768 L770 | I672-L746 HydrophobicContact CD1-CD1 4.04Å; I672-L746 HydrophobicContact CD1-CD2 4.3Å; I672-L746 HydrophobicContact CG2-CD2 4.14Å; L693-L746 HydrophobicContact CD2-CB 3.98Å; L693-L746 HydrophobicContact CD2-CD1 3.79Å; L693-L746 HydrophobicContact CD2-CG 4.49Å; I705-L746 HydrophobicContact CD1-CD1 3.66Å; L746-L748 HydrophobicContact CD1-CD2 3.84Å; L746-L748 HydrophobicContact CD1-CG 4.35Å; L746-L748 HydrophobicContact CD2-CD1 4.42Å; L746-L748 HydrophobicContact CD2-CD2 4.44Å; L746-L748 HydrophobicContact CD2-CG 4.37Å; L746-L748 HydrophobicContact CG-CD2 4.16Å; L746-L748 HydrophobicContact CG-CG 4.13Å; L746-L767 WeakPolarHBondContact O-CA 3.45Å; L746-L768 HydrophobicContact CB-CB 4.33Å; L746-L768 HydrophobicContact CD2-CD2 4.38Å; L746-L768 PolarHBondContact N-O 2.82Å; L746-L768 PolarHBondContact O-N 2.94Å; L746-L770 HydrophobicContact CB-CD2 4.04Å; L746-L770 HydrophobicContact CB-CG 4.28Å |
| 747 | F | 91.5 | Very high | 83.3 | Confident | 47 Ų | 47 | 40.1 Ų | 40.1 | 21% | 0.206 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 123.9 | 171.7 | 178.8 | -104.9 | 0 | 0 | 0 | 109.1 | G691 R692 L694 R749 N765 V766 L767 | G691-F747 CarbonylContact C-O 3.41Å; G691-F747 WeakPolarHBondContact CA-O 3.31Å; R692-F747 PolarHBondContact N-O 3.01Å; R692-F747 PolarHBondContact O-N 3.47Å; L694-F747 HydrophobicContact CD1-CB 3.89Å; L694-F747 HydrophobicContact CG-CB 4.42Å; F747-R749 HydrophobicContact CE1-CB 3.98Å; F747-R749 HydrophobicContact CZ-CB 4.22Å; F747-N765 HydrophobicContact CE2-CB 3.81Å; F747-N765 HydrophobicContact CZ-CB 4.1Å; F747-N765 WeakPolarHBondContact CZ-OD1 3.34Å; F747-V766 WeakPolarHBondContact CA-O 3.36Å; F747-L767 HydrophobicContact CB-CD1 4.18Å; F747-L767 HydrophobicContact CD2-CD1 4.07Å |
| 748 | L | 91.9 | Very high | 83.8 | Confident | 28 Ų | 28 | 34 Ų | 34 | 15% | 0.147 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 146.7 | 171 | -54.8 | 176.1 | 0 | 0 | 0 | 109.7 | V689 T690 I705 L746 N765 V766 | V689-L748 HydrophobicContact CG1-CB 4.31Å; T690-L748 CarbonylContact O-C 3.44Å; T690-L748 WeakPolarHBondContact O-CA 3.49Å; I705-L748 HydrophobicContact CD1-CD2 4.18Å; L746-L748 HydrophobicContact CD1-CD2 3.84Å; L746-L748 HydrophobicContact CD1-CG 4.35Å; L746-L748 HydrophobicContact CD2-CD1 4.42Å; L746-L748 HydrophobicContact CD2-CD2 4.44Å; L746-L748 HydrophobicContact CD2-CG 4.37Å; L746-L748 HydrophobicContact CG-CD2 4.16Å; L746-L748 HydrophobicContact CG-CG 4.13Å; L748-N765 CarbonylContact O-C 3.55Å; L748-N765 WeakPolarHBondContact O-CA 3.27Å; L748-V766 HydrophobicContact CB-CB 4.21Å; L748-V766 PolarHBondContact N-O 2.99Å; L748-V766 PolarHBondContact O-N 3.44Å |
| 749 | R | 91 | Very high | 84 | Confident | 74 Ų | 74 | 35.7 Ų | 35.7 | 28% | 0.279 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 130.8 | 178.5 | -179.9 | 175.1 | -77.8 | 175.5 | 0.3 | 109.9 | V689 T690 F747 Y751 V762 N765 | V689-R749 WeakPolarHBondContact CA-O 3.13Å; T690-R749 PolarHBondContact N-O 3.47Å; T690-R749 PolarHBondContact O-N 2.79Å; F747-R749 HydrophobicContact CE1-CB 3.98Å; F747-R749 HydrophobicContact CZ-CB 4.22Å; R749-Y751 HydrophobicContact CB-CE2 4.23Å; R749-Y751 WeakPolarHBondContact CD-OH 3.44Å; R749-Y751 HydrophobicContact CG-CD2 4.35Å; R749-Y751 HydrophobicContact CG-CE1 4.23Å; R749-Y751 HydrophobicContact CG-CE2 3.76Å; R749-V762 HydrophobicContact CG-CG1 3.64Å; R749-V762 HydrophobicContact CG-CG2 4.42Å; R749-N765 WeakPolarHBondContact CG-OD1 3.44Å; R749-N765 PolarHBondContact NE-OD1 3.28Å |
| 750 | V | 90.1 | Very high | 84.1 | Confident | 14 Ų | 14 | 33.5 Ų | 33.5 | 9% | 0.085 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.2 | -178.2 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | L677 M680 F687 V689 I763 G764 | L677-V750 HydrophobicContact CD1-CG1 3.75Å; L677-V750 HydrophobicContact CD2-CG1 4.11Å; L677-V750 HydrophobicContact CD2-CG2 3.77Å; M680-V750 HydrophobicContact SD-CG1 4.45Å; F687-V750 HydrophobicContact CD1-CG1 4.21Å; V689-V750 HydrophobicContact CG2-CG1 4.48Å; V689-V750 HydrophobicContact CG2-CG2 4.19Å; V750-I763 HydrophobicContact CB-CB 4.37Å; V750-I763 HydrophobicContact CG1-CB 4.39Å; V750-I763 HydrophobicContact CG1-CD1 4.14Å; V750-I763 PolarHBondContact O-N 3.3Å; V750-G764 PolarHBondContact N-O 3.16Å |
| 751 | Y | 88.6 | Confident | 84.1 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 6% | 0.055 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 151.4 | 176.4 | -59.8 | -88.9 | 0 | 0 | 0 | 111.2 | F687 K688 T690 R749 Y760 V761 V762 P864 | F687-Y751 WeakPolarHBondContact CA-O 3.31Å; K688-Y751 PolarHBondContact N-O 2.99Å; K688-Y751 PolarHBondContact O-N 3.22Å; T690-Y751 HydrophobicContact CG2-CD2 4.24Å; T690-Y751 HydrophobicContact CG2-CE2 3.73Å; T690-Y751 WeakPolarHBondContact OG1-CE2 3.24Å; R749-Y751 HydrophobicContact CB-CE2 4.23Å; R749-Y751 WeakPolarHBondContact CD-OH 3.44Å; R749-Y751 HydrophobicContact CG-CD2 4.35Å; R749-Y751 HydrophobicContact CG-CE1 4.23Å; R749-Y751 HydrophobicContact CG-CE2 3.76Å; Y751-Y760 HydrophobicContact CD1-CE1 4.01Å; Y751-Y760 AromaticContact CD1-CE2 3.75Å; Y751-Y760 HydrophobicContact CD1-CE2 3.75Å; Y751-Y760 AromaticContact CD1-CZ 3.33Å; Y751-Y760 WeakPolarHBondContact CD1-OH 3.49Å; Y751-Y760 HydrophobicContact CE1-CE1 4.19Å; Y751-Y760 AromaticContact CE1-CZ 3.77Å; Y751-Y760 WeakPolarHBondContact CE1-OH 3.08Å; Y751-Y760 AromaticContact CG-CE2 3.89Å; Y751-Y760 HydrophobicContact CG-CE2 3.89Å; Y751-Y760 AromaticContact CG-CZ 3.79Å; Y751-Y760 VanDerWaalsContact CG-OH 3.3Å; Y751-V761 WeakPolarHBondContact CA-O 3.43Å; Y751-V762 HydrophobicContact CD1-CG2 3.7Å; Y751-V762 HydrophobicContact CE1-CG2 3.44Å; Y751-V762 VanDerWaalsContact CE1-CG2 3.44Å; Y751-P864 HydrophobicContact CD1-CG 4.42Å; Y751-P864 HydrophobicContact CE1-CG 3.74Å |
| 752 | T | 88.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 171.2 | 169.6 | -162.7 | 0 | 0 | 0 | 0 | 112.1 | S684 T685 I686 V761 I763 | S684-T752 WeakPolarHBondContact CB-OG1 3.33Å; T685-T752 PolarHBondContact N-OG1 3.24Å; I686-T752 VanDerWaalsContact O-CA 3.26Å; I686-T752 WeakPolarHBondContact O-CA 3.19Å; I686-T752 WeakPolarHBondContact O-CB 3.25Å; I686-T752 PolarHBondContact O-OG1 3.31Å; T752-V761 HydrophobicContact CG2-CG2 3.74Å; T752-V761 PolarHBondContact N-O 3.39Å; T752-V761 PolarHBondContact O-N 3.11Å; T752-I763 HydrophobicContact CG2-CD1 3.61Å; T752-I763 HydrophobicContact CG2-CG1 3.52Å |
| 753 | L | 84.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.6 | 166.3 | -166.1 | 78.3 | 0 | 0 | 0 | 108.4 | T685 I686 L758 E759 I822 L852 | T685-L753 PolarHBondContact N-O 2.97Å; T685-L753 PolarHBondContact OG1-O 2.9Å; I686-L753 HydrophobicContact CG1-CB 4.11Å; L753-L758 VanDerWaalsContact CD1-O 3.28Å; L753-L758 WeakPolarHBondContact CD1-O 3.28Å; L753-L758 HydrophobicContact CD2-CB 4.37Å; L753-L758 HydrophobicContact CD2-CD2 3.89Å; L753-L758 HydrophobicContact CG-CB 4.45Å; L753-L758 HydrophobicContact CG-CD2 4.41Å; L753-E759 WeakPolarHBondContact CA-O 3.11Å; L753-I822 HydrophobicContact CD2-CD1 3.93Å; L753-I822 HydrophobicContact CD2-CG1 4.22Å; L753-I822 HydrophobicContact CD2-CG2 3.91Å; L753-L852 HydrophobicContact CB-CD2 4.18Å |
| 754 | T | 80.4 | Confident | 84.1 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 140 | 178.8 | 54.1 | 0 | 0 | 0 | 0 | 111.5 | N683 N757 L758 E759 V761 | N683-T754 CarbonylContact O-C 3.58Å; N683-T754 WeakPolarHBondContact O-CA 3.48Å; T754-N757 WeakPolarHBondContact CB-OD1 3.12Å; T754-N757 PolarHBondContact OG1-OD1 3.49Å; T754-L758 WeakPolarHBondContact O-CA 3.36Å; T754-L758 PolarHBondContact O-N 2.96Å; T754-L758 PolarHBondContact OG1-N 2.89Å; T754-E759 PolarHBondContact N-O 3.48Å; T754-E759 PolarHBondContact OG1-N 3.42Å; T754-E759 PolarHBondContact OG1-O 3.46Å; T754-V761 HydrophobicContact CG2-CB 4.5Å; T754-V761 HydrophobicContact CG2-CG1 4.05Å; T754-V761 HydrophobicContact CG2-CG2 3.6Å |
| 755 | L | 77.4 | Confident | 84.1 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -31.6 | -179.8 | -175.4 | 52.2 | 0 | 0 | 0 | 112.6 | N683 T685 M821 R825 F1022 | N683-L755 PolarHBondContact O-N 3.3Å; N683-L755 WeakPolarHBondContact OD1-CA 3.46Å; N683-L755 VanDerWaalsContact OD1-CB 3.31Å; N683-L755 WeakPolarHBondContact OD1-CB 3.48Å; N683-L755 PolarHBondContact OD1-N 2.9Å; T685-L755 HydrophobicContact CG2-CB 3.8Å; T685-L755 HydrophobicContact CG2-CD1 3.98Å; T685-L755 HydrophobicContact CG2-CG 4.35Å; L755-M821 HydrophobicContact CD1-CE 3.34Å; L755-M821 HydrophobicContact CD1-CG 4.15Å; L755-M821 HydrophobicContact CD1-SD 3.91Å; L755-M821 HydrophobicContact CD2-CE 3.43Å; L755-M821 VanDerWaalsContact CD2-CE 3.43Å; L755-M821 HydrophobicContact CD2-SD 4.01Å; L755-M821 HydrophobicContact CG-CE 4.04Å; L755-R825 PolarHBondContact O-NH1 3.25Å; L755-F1022 HydrophobicContact CB-CE2 4.28Å; L755-F1022 HydrophobicContact CD2-CE2 3.71Å; L755-F1022 HydrophobicContact CD2-CZ 4.03Å; L755-F1022 HydrophobicContact CG-CE2 4.09Å |
| 756 | T | 73.8 | Confident | 83.9 | Confident | 38 Ų | 38 | 31.7 Ų | 31.7 | 23% | 0.233 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -41.7 | -177.2 | 44.4 | 0 | 0 | 0 | 0 | 114.2 | N683 R825 P872 F1022 | N683-T756 PolarHBondContact ND2-OG1 2.63Å; N683-T756 WeakPolarHBondContact OD1-CG2 3.49Å; N683-T756 PolarHBondContact OD1-N 3.3Å; N683-T756 PolarHBondContact OD1-OG1 2.81Å; T756-R825 PolarHBondContact O-NH1 2.81Å; T756-R825 PolarHBondContact O-NH2 3.43Å; T756-P872 HydrophobicContact CG2-CG 4.32Å; T756-F1022 HydrophobicContact CG2-CB 4.15Å; T756-F1022 HydrophobicContact CG2-CD2 3.91Å; T756-F1022 HydrophobicContact CG2-CG 4.04Å |
| 757 | N | 74.6 | Confident | 83.5 | Confident | 74 Ų | 74 | 36.6 Ų | 36.6 | 40% | 0.396 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | -0.9 | -174.3 | 52.4 | -19.8 | 0 | 0 | 0 | 114.2 | T754 E759 | T754-N757 WeakPolarHBondContact CB-OD1 3.12Å; T754-N757 PolarHBondContact OG1-OD1 3.49Å; N757-E759 HydrophobicContact CB-CG 4.32Å; N757-E759 WeakPolarHBondContact ND2-CG 3.21Å; N757-E759 PolarHBondContact ND2-OE1 2.86Å; N757-E759 PolarHBondContact ND2-OE2 3.4Å; N757-E759 PolarHBondContact O-N 3.49Å |
| 758 | L | 77.9 | Confident | 83.2 | Confident | 29 Ų | 29 | 38.9 Ų | 38.9 | 15% | 0.152 | 21% | 0.206 | C | C | . | . | trans | 56.3 | 36.7 | -177.3 | -56.7 | -180 | 0 | 0 | 0 | 112.9 | L753 T754 I822 R825 E826 | L753-L758 VanDerWaalsContact CD1-O 3.28Å; L753-L758 WeakPolarHBondContact CD1-O 3.28Å; L753-L758 HydrophobicContact CD2-CB 4.37Å; L753-L758 HydrophobicContact CD2-CD2 3.89Å; L753-L758 HydrophobicContact CG-CB 4.45Å; L753-L758 HydrophobicContact CG-CD2 4.41Å; T754-L758 WeakPolarHBondContact O-CA 3.36Å; T754-L758 PolarHBondContact O-N 2.96Å; T754-L758 PolarHBondContact OG1-N 2.89Å; L758-I822 HydrophobicContact CD2-CG1 4.31Å; L758-I822 HydrophobicContact CD2-CG2 4.12Å; L758-R825 HydrophobicContact CD1-CB 3.79Å; L758-E826 HydrophobicContact CD1-CG 3.85Å | ||
| 759 | E | 79 | Confident | 82.6 | Confident | 87 Ų | 87 | 41.9 Ų | 41.9 | 41% | 0.407 | 22% | 0.218 | S | C | . | . | trans | -91.6 | 142.6 | 176.6 | -79.3 | 179 | -157.6 | 0 | 0 | 111.1 | L753 T754 N757 V761 | L753-E759 WeakPolarHBondContact CA-O 3.11Å; T754-E759 PolarHBondContact N-O 3.48Å; T754-E759 PolarHBondContact OG1-N 3.42Å; T754-E759 PolarHBondContact OG1-O 3.46Å; N757-E759 HydrophobicContact CB-CG 4.32Å; N757-E759 WeakPolarHBondContact ND2-CG 3.21Å; N757-E759 PolarHBondContact ND2-OE1 2.86Å; N757-E759 PolarHBondContact ND2-OE2 3.4Å; N757-E759 PolarHBondContact O-N 3.49Å; E759-V761 HydrophobicContact CB-CG1 4.28Å; E759-V761 PolarHBondContact O-N 3.43Å | ||
| 760 | Y | 81.5 | Confident | 82.1 | Confident | 16 Ų | 16 | 40.6 Ų | 40.6 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 113.3 | 176.1 | 175.2 | -114.8 | 0 | 0 | 0 | 110 | Y751 L852 I854 N857 P864 | Y751-Y760 HydrophobicContact CD1-CE1 4.01Å; Y751-Y760 AromaticContact CD1-CE2 3.75Å; Y751-Y760 HydrophobicContact CD1-CE2 3.75Å; Y751-Y760 AromaticContact CD1-CZ 3.33Å; Y751-Y760 WeakPolarHBondContact CD1-OH 3.49Å; Y751-Y760 HydrophobicContact CE1-CE1 4.19Å; Y751-Y760 AromaticContact CE1-CZ 3.77Å; Y751-Y760 WeakPolarHBondContact CE1-OH 3.08Å; Y751-Y760 AromaticContact CG-CE2 3.89Å; Y751-Y760 HydrophobicContact CG-CE2 3.89Å; Y751-Y760 AromaticContact CG-CZ 3.79Å; Y751-Y760 VanDerWaalsContact CG-OH 3.3Å; Y760-L852 HydrophobicContact CD2-CB 4.3Å; Y760-L852 HydrophobicContact CD2-CD2 3.55Å; Y760-L852 HydrophobicContact CE2-CB 3.84Å; Y760-L852 HydrophobicContact CE2-CD2 3.8Å; Y760-L852 HydrophobicContact CE2-CG 4.41Å; Y760-I854 HydrophobicContact CE1-CG1 4.19Å; Y760-N857 VanDerWaalsContact CB-CG 3.49Å; Y760-N857 WeakPolarHBondContact CB-ND2 3.34Å; Y760-N857 HydrophobicContact CD1-CB 4Å; Y760-N857 HydrophobicContact CG-CB 4.14Å; Y760-N857 VanDerWaalsContact CG-ND2 3.35Å; Y760-P864 HydrophobicContact CD1-CB 3.6Å; Y760-P864 HydrophobicContact CD1-CG 4.37Å; Y760-P864 HydrophobicContact CE1-CB 3.57Å; Y760-P864 HydrophobicContact CE1-CG 3.84Å |
| 761 | V | 81.4 | Confident | 81.6 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 153.9 | -173 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | Y751 T752 T754 E759 N865 M867 | Y751-V761 WeakPolarHBondContact CA-O 3.43Å; T752-V761 HydrophobicContact CG2-CG2 3.74Å; T752-V761 PolarHBondContact N-O 3.39Å; T752-V761 PolarHBondContact O-N 3.11Å; T754-V761 HydrophobicContact CG2-CB 4.5Å; T754-V761 HydrophobicContact CG2-CG1 4.05Å; T754-V761 HydrophobicContact CG2-CG2 3.6Å; E759-V761 HydrophobicContact CB-CG1 4.28Å; E759-V761 PolarHBondContact O-N 3.43Å; V761-N865 CarbonylContact C-O 3.58Å; V761-N865 WeakPolarHBondContact CA-O 3.12Å; V761-N865 WeakPolarHBondContact CB-O 3.44Å; V761-N865 HydrophobicContact CG1-CB 4.48Å; V761-M867 HydrophobicContact CB-CB 4.28Å; V761-M867 HydrophobicContact CG2-CB 4.02Å; V761-M867 HydrophobicContact CG2-CG 4.3Å; V761-M867 HydrophobicContact CG2-SD 4.41Å |
| 762 | V | 85.3 | Confident | 80.8 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 120.8 | 169.5 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | R749 Y751 P864 N865 Q866 M867 | R749-V762 HydrophobicContact CG-CG1 3.64Å; R749-V762 HydrophobicContact CG-CG2 4.42Å; Y751-V762 HydrophobicContact CD1-CG2 3.7Å; Y751-V762 HydrophobicContact CE1-CG2 3.44Å; Y751-V762 VanDerWaalsContact CE1-CG2 3.44Å; V762-P864 HydrophobicContact CG2-CB 4.2Å; V762-P864 HydrophobicContact CG2-CG 3.83Å; V762-N865 PolarHBondContact N-O 3.31Å; V762-Q866 PolarHBondContact O-NE2 3.47Å; V762-M867 VanDerWaalsContact O-CB 3.3Å; V762-M867 WeakPolarHBondContact O-CB 3.44Å; V762-M867 PolarHBondContact O-N 3.49Å |
| 763 | I | 82.1 | Confident | 79.6 | Confident | 37 Ų | 37 | 48.8 Ų | 48.8 | 19% | 0.19 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | -50.1 | 173.4 | -65.6 | -178.5 | 0 | 0 | 0 | 109.6 | M680 F687 V750 T752 Q866 M867 | M680-I763 HydrophobicContact SD-CD1 3.93Å; F687-I763 HydrophobicContact CD1-CD1 3.79Å; F687-I763 HydrophobicContact CE1-CD1 3.44Å; F687-I763 VanDerWaalsContact CE1-CD1 3.44Å; V750-I763 HydrophobicContact CB-CB 4.37Å; V750-I763 HydrophobicContact CG1-CB 4.39Å; V750-I763 HydrophobicContact CG1-CD1 4.14Å; V750-I763 PolarHBondContact O-N 3.3Å; T752-I763 HydrophobicContact CG2-CD1 3.61Å; T752-I763 HydrophobicContact CG2-CG1 3.52Å; I763-Q866 PolarHBondContact O-NE2 3.1Å; I763-M867 HydrophobicContact CG1-SD 4.36Å |
| 764 | G | 82.1 | Confident | 78.4 | Confident | 23 Ų | 23 | 54.1 Ų | 54.1 | 24% | 0.237 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.6 | 169.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V750 | V750-G764 PolarHBondContact N-O 3.16Å |
| 765 | N | 86 | Confident | 77.4 | Confident | 74 Ų | 74 | 62 Ų | 62 | 40% | 0.396 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 142.8 | 179.1 | -54.6 | -66 | 0 | 0 | 0 | 108.7 | F747 L748 R749 | F747-N765 HydrophobicContact CE2-CB 3.81Å; F747-N765 HydrophobicContact CZ-CB 4.1Å; F747-N765 WeakPolarHBondContact CZ-OD1 3.34Å; L748-N765 CarbonylContact O-C 3.55Å; L748-N765 WeakPolarHBondContact O-CA 3.27Å; R749-N765 WeakPolarHBondContact CG-OD1 3.44Å; R749-N765 PolarHBondContact NE-OD1 3.28Å |
| 766 | V | 83.5 | Confident | 76.4 | Confident | 81 Ų | 81 | 67.4 Ų | 67.4 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 132.4 | 172.5 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | F747 L748 | F747-V766 WeakPolarHBondContact CA-O 3.36Å; L748-V766 HydrophobicContact CB-CB 4.21Å; L748-V766 PolarHBondContact N-O 2.99Å; L748-V766 PolarHBondContact O-N 3.44Å |
| 767 | L | 83.2 | Confident | 75.3 | Confident | 112 Ų | 112 | 72.7 Ų | 72.7 | 59% | 0.586 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 122.5 | 174.1 | -170.1 | 72.8 | 0 | 0 | 0 | 108.4 | L745 L746 F747 | L745-L767 HydrophobicContact CB-CD1 4.16Å; L745-L767 HydrophobicContact CD1-CD1 4.3Å; L745-L767 HydrophobicContact CD1-CD2 4.48Å; L746-L767 WeakPolarHBondContact O-CA 3.45Å; F747-L767 HydrophobicContact CB-CD1 4.18Å; F747-L767 HydrophobicContact CD2-CD1 4.07Å |
| 768 | L | 83.6 | Confident | 74.2 | Confident | 96 Ų | 96 | 74.4 Ų | 74.4 | 50% | 0.503 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 131 | -177.8 | -178.4 | 73.2 | 0 | 0 | 0 | 109.8 | L745 L746 | L745-L768 CarbonylContact C-O 3.18Å; L745-L768 WeakPolarHBondContact CA-O 3.37Å; L746-L768 HydrophobicContact CB-CB 4.33Å; L746-L768 HydrophobicContact CD2-CD2 4.38Å; L746-L768 PolarHBondContact N-O 2.82Å; L746-L768 PolarHBondContact O-N 2.94Å |
| 769 | K | 80.2 | Confident | 72.8 | Confident | 91 Ų | 91 | 78 Ų | 78 | 40% | 0.396 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 121.5 | 170.3 | -166.5 | -175.1 | -175.9 | -173.1 | 0 | 109.1 | L745 F771 | L745-K769 HydrophobicContact CD2-CB 3.99Å; L745-K769 HydrophobicContact CD2-CG 4.06Å; K769-F771 WeakPolarHBondContact CD-O 3.48Å; K769-F771 WeakPolarHBondContact CE-O 3.29Å; K769-F771 WeakPolarHBondContact CG-O 3.33Å |
| 770 | L | 80.4 | Confident | 71.1 | Confident | 46 Ų | 46 | 76.2 Ų | 76.2 | 24% | 0.241 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -70.3 | -43.1 | -176.2 | -76.5 | 178.6 | 0 | 0 | 0 | 112.5 | F670 L693 S744 L746 | F670-L770 HydrophobicContact CE2-CD1 4.43Å; F670-L770 HydrophobicContact CE2-CD2 4.35Å; F670-L770 HydrophobicContact CZ-CD1 3.92Å; L693-L770 HydrophobicContact CD2-CD1 3.48Å; L693-L770 VanDerWaalsContact CD2-CD1 3.48Å; L693-L770 HydrophobicContact CD2-CG 4.28Å; S744-L770 PolarHBondContact O-N 3.27Å; L746-L770 HydrophobicContact CB-CD2 4.04Å; L746-L770 HydrophobicContact CB-CG 4.28Å |
| 771 | F | 78.9 | Confident | 69.3 | Low | 34 Ų | 34 | 80.9 Ų | 80.9 | 15% | 0.149 | 44% | 0.441 | C | S | . | . | trans | -110.8 | 123.2 | -177.5 | -55.8 | -72.5 | 0 | 0 | 0 | 109.6 | L666 L740 S741 Q742 K769 | L666-F771 HydrophobicContact CD2-CD1 3.84Å; L666-F771 HydrophobicContact CD2-CD2 3.68Å; L666-F771 HydrophobicContact CD2-CE1 3.88Å; L666-F771 HydrophobicContact CD2-CE2 3.73Å; L666-F771 HydrophobicContact CD2-CG 3.74Å; L666-F771 HydrophobicContact CD2-CZ 3.83Å; L740-F771 HydrophobicContact CB-CE2 3.83Å; L740-F771 HydrophobicContact CB-CZ 4.13Å; L740-F771 HydrophobicContact CD1-CE2 4.09Å; L740-F771 HydrophobicContact CD1-CZ 3.88Å; S741-F771 WeakPolarHBondContact O-CD2 3.15Å; Q742-F771 HydrophobicContact CG-CB 4.49Å; K769-F771 WeakPolarHBondContact CD-O 3.48Å; K769-F771 WeakPolarHBondContact CE-O 3.29Å; K769-F771 WeakPolarHBondContact CG-O 3.33Å | ||
| 772 | N | 71.6 | Confident | 67.5 | Low | 95 Ų | 95 | 87.7 Ų | 87.7 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | trans | -95.5 | 132.9 | 170 | -160.9 | -4.2 | 0 | 0 | 0 | 109.3 | N774 | N772-N774 WeakPolarHBondContact OD1-CB 3.31Å; N772-N774 PolarHBondContact OD1-N 3.13Å | ||
| 773 | S | 63.1 | Low | 65.3 | Low | 72 Ų | 72 | 92.4 Ų | 92.4 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | trans | -86.3 | -19.2 | 173.1 | 46.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 774 | N | 61.4 | Low | 63.5 | Low | 112 Ų | 112 | 97 Ų | 97 | 60% | 0.599 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -72.8 | 153.6 | 179.7 | -58.2 | -5.1 | 0 | 0 | 0 | 108.6 | N772 | N772-N774 WeakPolarHBondContact OD1-CB 3.31Å; N772-N774 PolarHBondContact OD1-N 3.13Å |
| 775 | E | 57.8 | Low | 61.4 | Low | 171 Ų | 171 | 98.3 Ų | 98.3 | 80% | 0.799 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -48.1 | 140.8 | 168.3 | -73.1 | -179.9 | 174.3 | 0 | 0 | 109.4 | L777 | E775-L777 PolarHBondContact O-N 3.38Š|
| 776 | P | 56.3 | Low | 59.2 | Low | 118 Ų | 118 | 95.8 Ų | 95.8 | 77% | 0.766 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 118.9 | 176 | 21.5 | -31 | 0 | 0 | 0 | 107.6 | P778 | P776-P778 WeakPolarHBondContact O-CD 3.42Å; P776-P778 VanDerWaalsContact O-N 3.09Å |
| 777 | L | 52.5 | Low | 57.3 | Low | 149 Ų | 149 | 98.4 Ų | 98.4 | 78% | 0.78 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 123.4 | 172.6 | -73.5 | 170.2 | 0 | 0 | 0 | 105.8 | E775 Q779 | E775-L777 PolarHBondContact O-N 3.38Å; L777-Q779 PolarHBondContact O-N 2.94Å |
| 778 | P | 50.7 | Low | 55.3 | Low | 110 Ų | 110 | 97.7 Ų | 97.7 | 71% | 0.714 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 136 | 177.5 | 21.6 | -30.7 | 0 | 0 | 0 | 107.1 | P776 | P776-P778 WeakPolarHBondContact O-CD 3.42Å; P776-P778 VanDerWaalsContact O-N 3.09Å |
| 779 | Q | 47.7 | Very low | 53.6 | Low | 103 Ų | 103 | 96 Ų | 96 | 48% | 0.481 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 134.3 | 176.2 | 84.3 | 175.3 | 20.2 | 0 | 0 | 107.2 | L777 E781 | L777-Q779 PolarHBondContact O-N 2.94Å; Q779-E781 PolarHBondContact O-N 3.46Å |
| 780 | P | 44.4 | Very low | 52.1 | Low | 51 Ų | 51 | 96.1 Ų | 96.1 | 33% | 0.331 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 139.8 | 174.2 | 18.1 | -29.2 | 0 | 0 | 0 | 109.8 | Y782 S786 | P780-Y782 PolarHBondContact O-N 3.12Å; P780-S786 WeakPolarHBondContact CG-O 3.01Å |
| 781 | E | 42.8 | Very low | 50.7 | Low | 114 Ų | 114 | 102.7 Ų | 102.7 | 53% | 0.533 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 140.5 | 178.9 | -68.5 | -174.3 | 177 | 0 | 0 | 110.6 | Q779 R783 F784 | Q779-E781 PolarHBondContact O-N 3.46Å; E781-R783 PolarHBondContact O-N 3.45Å; E781-F784 HydrophobicContact CB-CD2 3.94Å; E781-F784 HydrophobicContact CB-CE2 4.01Å; E781-F784 WeakPolarHBondContact O-CD2 3.19Å; E781-F784 PolarHBondContact O-N 3.33Å |
| 782 | Y | 44.6 | Very low | 49.5 | Very low | 149 Ų | 149 | 103.6 Ų | 103.6 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -54.8 | -29.7 | -176.3 | -176.7 | -98.1 | 0 | 0 | 0 | 113.2 | F651 P780 F784 R785 | F651-Y782 HydrophobicContact CB-CD2 4.43Å; F651-Y782 HydrophobicContact CB-CE2 4.06Å; F651-Y782 HydrophobicContact CD1-CD2 4.32Å; F651-Y782 HydrophobicContact CD1-CE2 4.25Å; F651-Y782 HydrophobicContact CG-CD2 4.39Å; F651-Y782 HydrophobicContact CG-CE2 4.37Å; P780-Y782 PolarHBondContact O-N 3.12Å; Y782-F784 PolarHBondContact O-N 2.67Å; Y782-F784 VanDerWaalsContact O-N 3.1Å; Y782-R785 PolarHBondContact O-N 3.14Å |
| 783 | R | 39.3 | Very low | 48.7 | Very low | 103 Ų | 103 | 102.3 Ų | 102.3 | 39% | 0.389 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -53 | -28.9 | 174.9 | -80.5 | -175.8 | 168.7 | 152.3 | -10.3 | 113.3 | E635 E636 E781 R785 | E635-R783 VanDerWaalsContact C-NH2 3.26Å; E636-R783 PolarHBondContact O-NE 2.93Å; E636-R783 PolarHBondContact O-NH2 3.46Å; E781-R783 PolarHBondContact O-N 3.45Å; R783-R785 VanDerWaalsContact C-N 3.28Å; R783-R785 PolarHBondContact O-N 2.83Å |
| 784 | F | 42.5 | Very low | 48.6 | Very low | 133 Ų | 133 | 99.8 Ų | 99.8 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -82.5 | -2 | 179.1 | -60.1 | -64.7 | 0 | 0 | 0 | 113.7 | E781 Y782 S786 | E781-F784 HydrophobicContact CB-CD2 3.94Å; E781-F784 HydrophobicContact CB-CE2 4.01Å; E781-F784 WeakPolarHBondContact O-CD2 3.19Å; E781-F784 PolarHBondContact O-N 3.33Å; Y782-F784 PolarHBondContact O-N 2.67Å; Y782-F784 VanDerWaalsContact O-N 3.1Å; F784-S786 WeakPolarHBondContact O-CB 3.3Å; F784-S786 PolarHBondContact O-N 3.42Å; F784-S786 PolarHBondContact O-OG 3.34Å |
| 785 | R | 39.7 | Very low | 48.8 | Very low | 50 Ų | 50 | 97.8 Ų | 97.8 | 19% | 0.189 | 50% | 0.504 | C | S | . | . | trans | 47.3 | 32.3 | 177.6 | -70.4 | -172.1 | 172.5 | 154.5 | 2.3 | 114.2 | P639 P640 A641 E645 Y782 R783 | P639-R785 PolarHBondContact O-NH1 3.05Å; P639-R785 PolarHBondContact O-NH2 3.26Å; P640-R785 PolarHBondContact O-NH1 3.46Å; A641-R785 VanDerWaalsContact CA-NH1 3.34Å; E645-R785 HydrophobicContact CB-CB 4.44Å; E645-R785 WeakPolarHBondContact O-CD 3.43Å; E645-R785 WeakPolarHBondContact OE2-CD 3.25Å; E645-R785 IonicContact OE2-CZ 2.64Å; E645-R785 IonicContact OE2-NE 2.82Å; E645-R785 IonicContact OE2-NH1 4Å; E645-R785 PolarHBondContact OE2-NH1 3.34Å; Y782-R785 PolarHBondContact O-N 3.14Å; R783-R785 VanDerWaalsContact C-N 3.28Å; R783-R785 PolarHBondContact O-N 2.83Å | ||
| 786 | S | 38.4 | Very low | 49.4 | Very low | 21 Ų | 21 | 95.5 Ų | 95.5 | 15% | 0.147 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -154.6 | 134.2 | -167.9 | 59.2 | 0 | 0 | 0 | 0 | 112.3 | P780 F784 R788 | P780-S786 WeakPolarHBondContact CG-O 3.01Å; F784-S786 WeakPolarHBondContact O-CB 3.3Å; F784-S786 PolarHBondContact O-N 3.42Å; F784-S786 PolarHBondContact O-OG 3.34Å; S786-R788 PolarHBondContact O-N 3.22Å; S786-R788 VanDerWaalsContact O-N 3.1Å; S786-R788 WeakPolarHBondContact OG-CB 3.37Å |
| 787 | Y | 44.7 | Very low | 50 | Low | 137 Ų | 137 | 91.3 Ų | 91.3 | 54% | 0.537 | 47% | 0.468 | S | S | . | . | trans | -71.7 | 27.2 | 147.7 | -71.5 | -85.2 | 0 | 0 | 0 | 110.5 | V649 S789 S792 | V649-Y787 HydrophobicContact CB-CE2 4.36Å; Y787-S789 VanDerWaalsContact C-N 3.33Å; Y787-S789 PolarHBondContact O-N 2.58Å; Y787-S792 PolarHBondContact O-OG 2.92Å | ||
| 788 | R | 40.7 | Very low | 50.7 | Low | 97 Ų | 97 | 87.7 Ų | 87.7 | 37% | 0.366 | 45% | 0.447 | S | S | . | . | trans | -75.6 | 92.4 | -178.8 | -74.9 | 159.2 | -167.8 | -166.9 | 7.3 | 106.1 | S786 S792 T793 | S786-R788 PolarHBondContact O-N 3.22Å; S786-R788 VanDerWaalsContact O-N 3.1Å; S786-R788 WeakPolarHBondContact OG-CB 3.37Å; R788-S792 VanDerWaalsContact CA-OG 3.28Å; R788-S792 WeakPolarHBondContact CA-OG 2.9Å; R788-T793 HydrophobicContact CB-CG2 4.09Å; R788-T793 HydrophobicContact CG-CG2 3.94Å | ||
| 789 | S | 47.3 | Very low | 51.6 | Low | 61 Ų | 61 | 85.5 Ų | 85.5 | 43% | 0.427 | 42% | 0.424 | S | S | . | . | trans | -50.6 | 148.7 | 139.8 | 60.2 | 0 | 0 | 0 | 0 | 107.3 | Y787 E791 S792 | Y787-S789 VanDerWaalsContact C-N 3.33Å; Y787-S789 PolarHBondContact O-N 2.58Å; S789-E791 PolarHBondContact O-N 2.83Å; S789-S792 PolarHBondContact N-OG 3.01Å; S789-S792 VanDerWaalsContact N-OG 3.13Å; S789-S792 PolarHBondContact O-N 3.03Å; S789-S792 PolarHBondContact O-OG 2.83Å; S789-S792 VanDerWaalsContact O-OG 3.06Å; S789-S792 PolarHBondContact OG-N 3.38Å; S789-S792 PolarHBondContact OG-OG 3.48Å | ||
| 790 | A | 50.4 | Low | 52.8 | Low | 92 Ų | 92 | 82.6 Ų | 82.6 | 76% | 0.76 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -20.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T793 | A790-T793 PolarHBondContact O-OG1 3.2Š|
| 791 | E | 50.4 | Low | 54 | Low | 184 Ų | 184 | 81.2 Ų | 81.2 | 86% | 0.86 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -17.5 | 176.2 | -56.9 | 177.7 | 166.7 | 0 | 0 | 114.6 | S789 | S789-E791 PolarHBondContact O-N 2.83Š|
| 792 | S | 53.2 | Low | 55.3 | Low | 54 Ų | 54 | 77.2 Ų | 77.2 | 38% | 0.378 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 5.7 | -177.3 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | Y787 R788 S789 P794 | Y787-S792 PolarHBondContact O-OG 2.92Å; R788-S792 VanDerWaalsContact CA-OG 3.28Å; R788-S792 WeakPolarHBondContact CA-OG 2.9Å; S789-S792 PolarHBondContact N-OG 3.01Å; S789-S792 VanDerWaalsContact N-OG 3.13Å; S789-S792 PolarHBondContact O-N 3.03Å; S789-S792 PolarHBondContact O-OG 2.83Å; S789-S792 VanDerWaalsContact O-OG 3.06Å; S789-S792 PolarHBondContact OG-N 3.38Å; S789-S792 PolarHBondContact OG-OG 3.48Å; S792-P794 WeakPolarHBondContact O-CD 3.25Å |
| 793 | T | 54.9 | Low | 56.5 | Low | 67 Ų | 67 | 74 Ų | 74 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -63.2 | 125.5 | 164.6 | 41 | 0 | 0 | 0 | 0 | 110 | R788 A790 T795 | R788-T793 HydrophobicContact CB-CG2 4.09Å; R788-T793 HydrophobicContact CG-CG2 3.94Å; A790-T793 PolarHBondContact O-OG1 3.2Å; T793-T795 PolarHBondContact O-N 2.75Å |
| 794 | P | 60.5 | Low | 58 | Low | 19 Ų | 19 | 69.2 Ų | 69.2 | 12% | 0.123 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 137.1 | 176.8 | -19.7 | 30.5 | 0 | 0 | 0 | 112.1 | S792 E798 W799 Y802 | S792-P794 WeakPolarHBondContact O-CD 3.25Å; P794-E798 VanDerWaalsContact CA-OE2 3.25Å; P794-E798 WeakPolarHBondContact CA-OE2 3.19Å; P794-E798 HydrophobicContact CB-CB 3.98Å; P794-W799 HydrophobicContact CB-CD2 4.39Å; P794-W799 HydrophobicContact CB-CG 4.5Å; P794-W799 HydrophobicContact CB-CZ2 4.3Å; P794-W799 HydrophobicContact CG-CZ2 3.95Å; P794-W799 PolarHBondContact O-NE1 3.15Å; P794-Y802 HydrophobicContact CB-CE2 3.87Å; P794-Y802 HydrophobicContact CG-CE2 4.02Å |
| 795 | T | 65.5 | Low | 59.3 | Low | 70 Ų | 70 | 64.2 Ų | 64.2 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -67 | 163 | 170.2 | 59.6 | 0 | 0 | 0 | 0 | 111.3 | T793 F797 E798 W799 | T793-T795 PolarHBondContact O-N 2.75Å; T795-F797 PolarHBondContact O-N 3.27Å; T795-E798 PolarHBondContact N-OE2 3.38Å; T795-E798 PolarHBondContact O-N 2.83Å; T795-E798 VanDerWaalsContact O-N 3.14Å; T795-E798 VanDerWaalsContact OG1-CG 3.29Å; T795-E798 WeakPolarHBondContact OG1-CG 3.47Å; T795-E798 PolarHBondContact OG1-N 2.77Å; T795-E798 PolarHBondContact OG1-OE2 3.08Å; T795-W799 PolarHBondContact O-N 2.78Å |
| 796 | N | 71 | Confident | 60.6 | Low | 124 Ų | 124 | 67.1 Ų | 67.1 | 66% | 0.663 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -57.3 | -35.2 | 176.9 | -73.8 | -16.9 | 0 | 0 | 0 | 112.4 | W799 V800 F1079 | N796-W799 WeakPolarHBondContact O-CB 3.37Å; N796-W799 PolarHBondContact O-N 3.05Å; N796-V800 WeakPolarHBondContact O-CG2 3.27Å; N796-V800 PolarHBondContact O-N 2.72Å; N796-V800 VanDerWaalsContact O-N 3.12Å; N796-F1079 HydrophobicContact CB-CE1 3.9Å; N796-F1079 HydrophobicContact CB-CZ 4.21Å |
| 797 | F | 68.5 | Low | 62 | Low | 30 Ų | 30 | 69.5 Ų | 69.5 | 13% | 0.132 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 175.6 | 176 | -105.7 | 0 | 0 | 0 | 113 | T795 W799 V800 L801 F1076 F1079 E1082 L1083 | T795-F797 PolarHBondContact O-N 3.27Å; F797-W799 VanDerWaalsContact C-N 3.27Å; F797-W799 PolarHBondContact O-N 3Å; F797-V800 PolarHBondContact O-N 3.49Å; F797-V800 VanDerWaalsContact O-N 3.15Å; F797-L801 HydrophobicContact CD1-CD1 3.71Å; F797-L801 HydrophobicContact CE1-CD1 3.32Å; F797-L801 HydrophobicContact CE1-CG 4.42Å; F797-L801 HydrophobicContact CE2-CD1 4.49Å; F797-L801 HydrophobicContact CG-CD1 4.44Å; F797-L801 HydrophobicContact CZ-CD1 3.77Å; F797-L801 HydrophobicContact CZ-CG 4.47Å; F797-L801 PolarHBondContact O-N 2.69Å; F797-F1076 AromaticContact CD2-CD1 3.91Å; F797-F1076 HydrophobicContact CD2-CD1 3.91Å; F797-F1076 HydrophobicContact CD2-CE1 4.31Å; F797-F1076 AromaticContact CE2-CD1 3.45Å; F797-F1076 HydrophobicContact CE2-CD1 3.45Å; F797-F1076 VanDerWaalsContact CE2-CD1 3.45Å; F797-F1076 AromaticContact CE2-CE1 3.79Å; F797-F1076 HydrophobicContact CE2-CE1 3.79Å; F797-F1076 HydrophobicContact CE2-CG 4.23Å; F797-F1076 HydrophobicContact CZ-CD1 4.47Å; F797-F1076 HydrophobicContact CZ-CE1 4.48Å; F797-F1079 HydrophobicContact CB-CD1 3.7Å; F797-F1079 HydrophobicContact CB-CE1 3.87Å; F797-F1079 HydrophobicContact CB-CG 4.22Å; F797-F1079 HydrophobicContact CD2-CB 3.71Å; F797-F1079 HydrophobicContact CD2-CD1 4.04Å; F797-F1079 HydrophobicContact CD2-CD2 4.09Å; F797-F1079 AromaticContact CD2-CG 3.67Å; F797-F1079 HydrophobicContact CD2-CG 3.67Å; F797-F1079 HydrophobicContact CE2-CB 4.26Å; F797-F1079 HydrophobicContact CG-CD1 4.35Å; F797-F1079 HydrophobicContact CG-CG 4.42Å; F797-E1082 WeakPolarHBondContact CB-OE2 3.43Å; F797-E1082 WeakPolarHBondContact CD2-OE2 3.5Å; F797-E1082 WeakPolarHBondContact CG-OE2 3.42Å; F797-L1083 HydrophobicContact CZ-CD2 4.46Å |
| 798 | E | 68.5 | Low | 63 | Low | 73 Ų | 73 | 64.7 Ų | 64.7 | 34% | 0.341 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 174.9 | -71.6 | 169.2 | 137 | 0 | 0 | 111.2 | P794 T795 V800 L801 Y802 | P794-E798 VanDerWaalsContact CA-OE2 3.25Å; P794-E798 WeakPolarHBondContact CA-OE2 3.19Å; P794-E798 HydrophobicContact CB-CB 3.98Å; T795-E798 PolarHBondContact N-OE2 3.38Å; T795-E798 PolarHBondContact O-N 2.83Å; T795-E798 VanDerWaalsContact O-N 3.14Å; T795-E798 VanDerWaalsContact OG1-CG 3.29Å; T795-E798 WeakPolarHBondContact OG1-CG 3.47Å; T795-E798 PolarHBondContact OG1-N 2.77Å; T795-E798 PolarHBondContact OG1-OE2 3.08Å; E798-V800 PolarHBondContact O-N 3.44Å; E798-L801 WeakPolarHBondContact O-CB 3.37Å; E798-L801 PolarHBondContact O-N 3.47Å; E798-Y802 HydrophobicContact CB-CD2 4.43Å; E798-Y802 HydrophobicContact CB-CE2 3.91Å; E798-Y802 WeakPolarHBondContact O-CD2 3.22Å; E798-Y802 VanDerWaalsContact O-CG 3.24Å; E798-Y802 PolarHBondContact O-N 2.69Å |
| 799 | W | 69.6 | Low | 63.8 | Low | 64 Ų | 64 | 65 Ų | 65 | 24% | 0.242 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 172.5 | -78.3 | 115.9 | 0 | 0 | 0 | 113.2 | I644 P794 T795 N796 F797 L801 Y802 H803 | I644-W799 HydrophobicContact CG2-CH2 3.55Å; I644-W799 HydrophobicContact CG2-CZ3 3.59Å; P794-W799 HydrophobicContact CB-CD2 4.39Å; P794-W799 HydrophobicContact CB-CG 4.5Å; P794-W799 HydrophobicContact CB-CZ2 4.3Å; P794-W799 HydrophobicContact CG-CZ2 3.95Å; P794-W799 PolarHBondContact O-NE1 3.15Å; T795-W799 PolarHBondContact O-N 2.78Å; N796-W799 WeakPolarHBondContact O-CB 3.37Å; N796-W799 PolarHBondContact O-N 3.05Å; F797-W799 VanDerWaalsContact C-N 3.27Å; F797-W799 PolarHBondContact O-N 3Å; W799-L801 VanDerWaalsContact C-N 3.33Å; W799-L801 PolarHBondContact O-N 3.19Å; W799-Y802 HydrophobicContact CE3-CD2 4.13Å; W799-Y802 HydrophobicContact CZ3-CD2 4.48Å; W799-Y802 PolarHBondContact O-N 3.16Å; W799-H803 PolarHBondContact O-CD2 3.43Å; W799-H803 PolarHBondContact O-N 3.05Å |
| 800 | V | 71.9 | Confident | 64.1 | Low | 41 Ų | 41 | 69.8 Ų | 69.8 | 25% | 0.248 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | 176.4 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | N796 F797 E798 Q804 F1076 F1079 | N796-V800 WeakPolarHBondContact O-CG2 3.27Å; N796-V800 PolarHBondContact O-N 2.72Å; N796-V800 VanDerWaalsContact O-N 3.12Å; F797-V800 PolarHBondContact O-N 3.49Å; F797-V800 VanDerWaalsContact O-N 3.15Å; E798-V800 PolarHBondContact O-N 3.44Å; V800-Q804 PolarHBondContact O-N 3.26Å; V800-Q804 VanDerWaalsContact O-N 3.16Å; V800-F1076 HydrophobicContact CG1-CD1 4.3Å; V800-F1076 HydrophobicContact CG1-CE1 3.91Å; V800-F1079 HydrophobicContact CB-CE2 4.35Å; V800-F1079 HydrophobicContact CG2-CE2 3.76Å; V800-F1079 HydrophobicContact CG2-CZ 3.89Å |
| 801 | L | 70.5 | Confident | 64.5 | Low | 22 Ų | 22 | 67.3 Ų | 67.3 | 12% | 0.115 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.8 | -49.3 | 172 | -80.2 | 158.5 | 0 | 0 | 0 | 111.2 | F797 E798 W799 H803 Q804 F805 F873 F1076 | F797-L801 HydrophobicContact CD1-CD1 3.71Å; F797-L801 HydrophobicContact CE1-CD1 3.32Å; F797-L801 HydrophobicContact CE1-CG 4.42Å; F797-L801 HydrophobicContact CE2-CD1 4.49Å; F797-L801 HydrophobicContact CG-CD1 4.44Å; F797-L801 HydrophobicContact CZ-CD1 3.77Å; F797-L801 HydrophobicContact CZ-CG 4.47Å; F797-L801 PolarHBondContact O-N 2.69Å; E798-L801 WeakPolarHBondContact O-CB 3.37Å; E798-L801 PolarHBondContact O-N 3.47Å; W799-L801 VanDerWaalsContact C-N 3.33Å; W799-L801 PolarHBondContact O-N 3.19Å; L801-H803 PolarHBondContact O-N 3.37Å; L801-Q804 WeakPolarHBondContact O-CA 3.16Å; L801-Q804 VanDerWaalsContact O-CB 3.26Å; L801-Q804 WeakPolarHBondContact O-CB 3.22Å; L801-Q804 PolarHBondContact O-N 3.12Å; L801-Q804 VanDerWaalsContact O-N 3.08Å; L801-F805 HydrophobicContact CD2-CE2 4.42Å; L801-F805 WeakPolarHBondContact O-CD2 3.12Å; L801-F805 PolarHBondContact O-N 3.5Å; L801-F873 HydrophobicContact CD2-CE1 3.54Å; L801-F873 HydrophobicContact CD2-CZ 3.67Å; L801-F1076 HydrophobicContact CD2-CE1 4.46Å; L801-F1076 HydrophobicContact CD2-CZ 4.28Å; L801-F1076 HydrophobicContact CG-CE1 4.3Å |
| 802 | Y | 68.7 | Low | 64.9 | Low | 30 Ų | 30 | 62.9 Ų | 62.9 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.8 | -47.5 | -178.4 | -69.2 | -44.3 | 0 | 0 | 0 | 113 | W648 F679 P794 E798 W799 Q804 F805 Q806 | W648-Y802 WeakPolarHBondContact CH2-OH 3.46Å; W648-Y802 HydrophobicContact CZ2-CE2 4.35Å; W648-Y802 AromaticContact CZ2-CZ 3.86Å; W648-Y802 WeakPolarHBondContact CZ2-OH 3.17Å; F679-Y802 HydrophobicContact CB-CE1 4.29Å; F679-Y802 AromaticContact CD1-CD1 3.54Å; F679-Y802 HydrophobicContact CD1-CD1 3.54Å; F679-Y802 AromaticContact CD1-CE1 3.75Å; F679-Y802 HydrophobicContact CD1-CE1 3.75Å; F679-Y802 AromaticContact CD2-CD1 3.97Å; F679-Y802 HydrophobicContact CD2-CD1 3.97Å; F679-Y802 AromaticContact CD2-CE1 3.3Å; F679-Y802 HydrophobicContact CD2-CE1 3.3Å; F679-Y802 AromaticContact CE1-CD1 3.37Å; F679-Y802 HydrophobicContact CE1-CD1 3.37Å; F679-Y802 AromaticContact CE1-CE1 3.76Å; F679-Y802 HydrophobicContact CE1-CE1 3.76Å; F679-Y802 HydrophobicContact CE1-CG 4.49Å; F679-Y802 AromaticContact CE2-CD1 3.79Å; F679-Y802 HydrophobicContact CE2-CD1 3.79Å; F679-Y802 AromaticContact CE2-CE1 3.28Å; F679-Y802 HydrophobicContact CE2-CE1 3.28Å; F679-Y802 AromaticContact CG-CD1 3.82Å; F679-Y802 HydrophobicContact CG-CD1 3.82Å; F679-Y802 AromaticContact CG-CE1 3.5Å; F679-Y802 HydrophobicContact CG-CE1 3.5Å; F679-Y802 VanDerWaalsContact CG-CE1 3.5Å; F679-Y802 AromaticContact CZ-CD1 3.47Å; F679-Y802 HydrophobicContact CZ-CD1 3.47Å; F679-Y802 VanDerWaalsContact CZ-CD1 3.47Å; F679-Y802 AromaticContact CZ-CE1 3.51Å; F679-Y802 HydrophobicContact CZ-CE1 3.51Å; P794-Y802 HydrophobicContact CB-CE2 3.87Å; P794-Y802 HydrophobicContact CG-CE2 4.02Å; E798-Y802 HydrophobicContact CB-CD2 4.43Å; E798-Y802 HydrophobicContact CB-CE2 3.91Å; E798-Y802 WeakPolarHBondContact O-CD2 3.22Å; E798-Y802 VanDerWaalsContact O-CG 3.24Å; E798-Y802 PolarHBondContact O-N 2.69Å; W799-Y802 HydrophobicContact CE3-CD2 4.13Å; W799-Y802 HydrophobicContact CZ3-CD2 4.48Å; W799-Y802 PolarHBondContact O-N 3.16Å; Y802-Q804 PolarHBondContact O-N 3.02Å; Y802-F805 PolarHBondContact O-N 3.09Å; Y802-F805 VanDerWaalsContact O-N 3.1Å; Y802-Q806 WeakPolarHBondContact O-CG 3.49Å; Y802-Q806 PolarHBondContact O-N 3.37Å |
| 803 | H | 70.6 | Confident | 65.7 | Low | 83 Ų | 83 | 63.8 Ų | 63.8 | 38% | 0.384 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.8 | -29.3 | 176.8 | -71.2 | -49.7 | 0 | 0 | 0 | 112.4 | W799 L801 Q806 S807 | W799-H803 PolarHBondContact O-CD2 3.43Å; W799-H803 PolarHBondContact O-N 3.05Å; L801-H803 PolarHBondContact O-N 3.37Å; H803-Q806 PolarHBondContact ND1-OE1 2.7Å; H803-S807 WeakPolarHBondContact O-CB 3.48Å; H803-S807 PolarHBondContact O-N 2.8Å; H803-S807 PolarHBondContact O-OG 3.29Å |
| 804 | Q | 71.7 | Confident | 66.6 | Low | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68 | -45.7 | 171.4 | -176.2 | -175.2 | -51.1 | 0 | 0 | 112 | V800 L801 Y802 Q806 S807 D808 | V800-Q804 PolarHBondContact O-N 3.26Å; V800-Q804 VanDerWaalsContact O-N 3.16Å; L801-Q804 WeakPolarHBondContact O-CA 3.16Å; L801-Q804 VanDerWaalsContact O-CB 3.26Å; L801-Q804 WeakPolarHBondContact O-CB 3.22Å; L801-Q804 PolarHBondContact O-N 3.12Å; L801-Q804 VanDerWaalsContact O-N 3.08Å; Y802-Q804 PolarHBondContact O-N 3.02Å; Q804-Q806 VanDerWaalsContact C-N 3.27Å; Q804-Q806 PolarHBondContact O-N 2.88Å; Q804-S807 PolarHBondContact O-N 3.26Å; Q804-S807 PolarHBondContact O-OG 3.11Å; Q804-D808 PolarHBondContact O-N 3.22Å |
| 805 | F | 69.5 | Low | 67.4 | Low | 28 Ų | 28 | 61.3 Ų | 61.3 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.8 | -37.6 | 176.1 | -79.9 | -84.2 | 0 | 0 | 0 | 112.2 | F679 M680 R720 L801 Y802 | F679-F805 HydrophobicContact CB-CD2 4.28Å; F679-F805 HydrophobicContact CB-CE2 4.03Å; F679-F805 HydrophobicContact CB-CZ 4.19Å; F679-F805 HydrophobicContact CD1-CB 4.07Å; F679-F805 HydrophobicContact CD1-CD1 4.43Å; F679-F805 AromaticContact CD1-CD2 3.9Å; F679-F805 HydrophobicContact CD1-CD2 3.9Å; F679-F805 HydrophobicContact CD1-CE2 4.48Å; F679-F805 AromaticContact CD1-CG 3.9Å; F679-F805 HydrophobicContact CD1-CG 3.9Å; F679-F805 HydrophobicContact CE1-CB 4.41Å; F679-F805 WeakPolarHBondContact O-CZ 3.32Å; M680-F805 VanDerWaalsContact O-CE1 3.24Å; M680-F805 WeakPolarHBondContact O-CE1 3.45Å; M680-F805 WeakPolarHBondContact O-CZ 3.49Å; R720-F805 HydrophobicContact CB-CD1 4.16Å; R720-F805 HydrophobicContact CB-CE1 3.89Å; R720-F805 HydrophobicContact CG-CE1 4.1Å; R720-F805 PolarHBondContact NH2-O 3.01Å; L801-F805 HydrophobicContact CD2-CE2 4.42Å; L801-F805 WeakPolarHBondContact O-CD2 3.12Å; L801-F805 PolarHBondContact O-N 3.5Å; Y802-F805 PolarHBondContact O-N 3.09Å; Y802-F805 VanDerWaalsContact O-N 3.1Å |
| 806 | Q | 67.2 | Low | 68.1 | Low | 112 Ų | 112 | 61.3 Ų | 61.3 | 52% | 0.523 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.5 | -39.6 | 178 | -72.9 | 179.5 | -16.4 | 0 | 0 | 113.1 | Y802 H803 Q804 D808 | Y802-Q806 WeakPolarHBondContact O-CG 3.49Å; Y802-Q806 PolarHBondContact O-N 3.37Å; H803-Q806 PolarHBondContact ND1-OE1 2.7Å; Q804-Q806 VanDerWaalsContact C-N 3.27Å; Q804-Q806 PolarHBondContact O-N 2.88Å; Q806-D808 PolarHBondContact O-N 2.93Å |
| 807 | S | 67.7 | Low | 68.6 | Low | 71 Ų | 71 | 57.6 Ų | 57.6 | 50% | 0.497 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -73.4 | -23.9 | -177.4 | 49.4 | 0 | 0 | 0 | 0 | 113.9 | H803 Q804 E809 | H803-S807 WeakPolarHBondContact O-CB 3.48Å; H803-S807 PolarHBondContact O-N 2.8Å; H803-S807 PolarHBondContact O-OG 3.29Å; Q804-S807 PolarHBondContact O-N 3.26Å; Q804-S807 PolarHBondContact O-OG 3.11Å; S807-E809 PolarHBondContact O-N 3.4Å; S807-E809 VanDerWaalsContact O-N 3.11Å |
| 808 | D | 65.9 | Low | 69.2 | Low | 35 Ų | 35 | 56.4 Ų | 56.4 | 19% | 0.187 | 28% | 0.28 | C | S | . | . | trans | -86.9 | 65.9 | -178.4 | -82 | -14.3 | 0 | 0 | 0 | 113.6 | R720 Q804 Q806 N810 R811 R876 | R720-D808 IonicContact NH1-OD2 3.64Å; R720-D808 PolarHBondContact NH2-O 2.81Å; Q804-D808 PolarHBondContact O-N 3.22Å; Q806-D808 PolarHBondContact O-N 2.93Å; D808-N810 VanDerWaalsContact C-N 3.27Å; D808-N810 PolarHBondContact O-N 3.37Å; D808-R811 PolarHBondContact O-N 2.76Å; D808-R876 IonicContact OD1-NE 3.44Å; D808-R876 IonicContact OD2-CZ 2.64Å; D808-R876 IonicContact OD2-NE 3.94Å; D808-R876 PolarHBondContact OD2-NE 3.47Å; D808-R876 IonicContact OD2-NH2 3.25Å; D808-R876 PolarHBondContact OD2-NH2 2.75Å | ||
| 809 | E | 57.3 | Low | 69.8 | Low | 104 Ų | 104 | 52.9 Ų | 52.9 | 49% | 0.486 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -55 | -40.3 | 173.8 | -81.5 | -81.7 | 145.2 | 0 | 0 | 112.5 | S807 R811 K812 | S807-E809 PolarHBondContact O-N 3.4Å; S807-E809 VanDerWaalsContact O-N 3.11Å; E809-R811 PolarHBondContact O-N 2.73Å; E809-K812 WeakPolarHBondContact O-CG 3.35Å; E809-K812 PolarHBondContact O-N 2.75Å; E809-K812 IonicContact OE1-NZ 3.39Å; E809-K812 PolarHBondContact OE1-NZ 3.16Å; E809-K812 IonicContact OE2-NZ 2.77Å; E809-K812 PolarHBondContact OE2-NZ 3.49Å |
| 810 | N | 53.1 | Low | 70.3 | Confident | 162 Ų | 162 | 52.2 Ų | 52.2 | 87% | 0.866 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -67.7 | -6.9 | -173.2 | -66.4 | -14.9 | 0 | 0 | 0 | 114.6 | D808 | D808-N810 VanDerWaalsContact C-N 3.27Å; D808-N810 PolarHBondContact O-N 3.37Å |
| 811 | R | 58.4 | Low | 70.7 | Confident | 40 Ų | 40 | 51.7 Ų | 51.7 | 15% | 0.151 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -110.5 | 13.3 | -175.9 | -76 | -83.1 | -128.8 | 146.7 | 12.6 | 113.5 | D808 E809 K813 F874 | D808-R811 PolarHBondContact O-N 2.76Å; E809-R811 PolarHBondContact O-N 2.73Å; R811-K813 PolarHBondContact O-N 2.97Å; R811-F874 VanDerWaalsContact NH2-CE2 3.34Å |
| 812 | K | 58.8 | Low | 71.3 | Confident | 91 Ų | 91 | 50.6 Ų | 50.6 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | trans | -67.6 | 56.7 | 167.1 | -63.6 | -178.5 | -178.4 | 159.2 | 0 | 111.4 | T718 E809 | T718-K812 HydrophobicContact CG2-CB 3.77Å; T718-K812 HydrophobicContact CG2-CD 4.37Å; T718-K812 HydrophobicContact CG2-CG 3.64Å; E809-K812 WeakPolarHBondContact O-CG 3.35Å; E809-K812 PolarHBondContact O-N 2.75Å; E809-K812 IonicContact OE1-NZ 3.39Å; E809-K812 PolarHBondContact OE1-NZ 3.16Å; E809-K812 IonicContact OE2-NZ 2.77Å; E809-K812 PolarHBondContact OE2-NZ 3.49Å | ||
| 813 | K | 70.1 | Confident | 71.9 | Confident | 73 Ų | 73 | 49.4 Ų | 49.4 | 32% | 0.317 | 25% | 0.248 | S | C | . | . | trans | -79.4 | 127 | 174.1 | -73.4 | -174.1 | 177.3 | -173.7 | 0 | 108.1 | S719 R811 M818 | S719-K813 WeakPolarHBondContact CB-O 3.42Å; S719-K813 PolarHBondContact N-O 3.44Å; S719-K813 PolarHBondContact OG-O 3.09Å; R811-K813 PolarHBondContact O-N 2.97Å; K813-M818 HydrophobicContact CB-CE 3.52Å; K813-M818 HydrophobicContact CD-CE 3.24Å; K813-M818 HydrophobicContact CG-CE 4.01Å | ||
| 814 | G | 74.5 | Confident | 72.2 | Confident | 21 Ų | 21 | 52.2 Ų | 52.2 | 22% | 0.216 | 26% | 0.255 | C | S | . | . | trans | -71.9 | 169.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R816 S817 M818 | G814-R816 VanDerWaalsContact C-N 3.28Å; G814-R816 PolarHBondContact O-N 3.44Å; G814-S817 WeakPolarHBondContact O-CB 3.01Å; G814-S817 PolarHBondContact O-N 2.92Å; G814-M818 PolarHBondContact O-N 2.84Å | ||
| 815 | I | 77.4 | Confident | 72.4 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.062 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.8 | -42.2 | -179.6 | -62.4 | 169.2 | 0 | 0 | 0 | 111 | I686 P709 P722 S817 M818 V819 | I686-I815 HydrophobicContact CG2-CG2 4.44Å; P709-I815 HydrophobicContact CB-CD1 3.75Å; P722-I815 HydrophobicContact CB-CD1 4.43Å; I815-S817 VanDerWaalsContact C-N 3.3Å; I815-S817 PolarHBondContact O-N 3.42Å; I815-M818 WeakPolarHBondContact O-CB 3.36Å; I815-M818 PolarHBondContact O-N 3.44Å; I815-M818 VanDerWaalsContact O-N 3.1Å; I815-V819 PolarHBondContact O-N 3.4Å |
| 816 | R | 80.3 | Confident | 72.6 | Confident | 70 Ų | 70 | 57 Ų | 57 | 26% | 0.264 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.4 | -37.3 | 176.2 | -173.3 | -176 | -56.6 | -166.8 | -0.7 | 113.3 | E711 G814 V819 K820 L839 L844 | E711-R816 WeakPolarHBondContact OE1-CB 3.45Å; E711-R816 PolarHBondContact OE1-N 3.27Å; E711-R816 IonicContact OE1-NE 2.79Å; E711-R816 IonicContact OE2-CZ 3.25Å; E711-R816 VanDerWaalsContact OE2-CZ 3.23Å; E711-R816 IonicContact OE2-NE 3.13Å; E711-R816 PolarHBondContact OE2-NE 3.2Å; E711-R816 IonicContact OE2-NH2 2.77Å; E711-R816 PolarHBondContact OE2-NH2 3.25Å; G814-R816 VanDerWaalsContact C-N 3.28Å; G814-R816 PolarHBondContact O-N 3.44Å; R816-V819 PolarHBondContact O-N 2.8Å; R816-K820 WeakPolarHBondContact O-CG 3.46Å; R816-K820 PolarHBondContact O-N 3.26Å; R816-L839 HydrophobicContact CG-CB 4.33Å; R816-L839 HydrophobicContact CG-CD1 4.1Å; R816-L844 HydrophobicContact CB-CD1 4.08Å; R816-L844 HydrophobicContact CG-CD1 4.41Å |
| 817 | S | 80.4 | Confident | 72.7 | Confident | 47 Ų | 47 | 54.5 Ų | 54.5 | 33% | 0.329 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.4 | -37.3 | 176.8 | -171 | 0 | 0 | 0 | 0 | 111.5 | G814 I815 M821 | G814-S817 WeakPolarHBondContact O-CB 3.01Å; G814-S817 PolarHBondContact O-N 2.92Å; I815-S817 VanDerWaalsContact C-N 3.3Å; I815-S817 PolarHBondContact O-N 3.42Å; S817-M821 PolarHBondContact O-N 3.02Å; S817-M821 VanDerWaalsContact O-N 3.15Å |
| 818 | M | 80.7 | Confident | 72.4 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.3 | -47.6 | 173.2 | -71.1 | -60.6 | 101.6 | 0 | 0 | 111.6 | T685 S719 K813 G814 I815 K820 M821 I822 | T685-M818 HydrophobicContact CG2-SD 4.16Å; S719-M818 VanDerWaalsContact CB-CG 3.45Å; K813-M818 HydrophobicContact CB-CE 3.52Å; K813-M818 HydrophobicContact CD-CE 3.24Å; K813-M818 HydrophobicContact CG-CE 4.01Å; G814-M818 PolarHBondContact O-N 2.84Å; I815-M818 WeakPolarHBondContact O-CB 3.36Å; I815-M818 PolarHBondContact O-N 3.44Å; I815-M818 VanDerWaalsContact O-N 3.1Å; M818-K820 VanDerWaalsContact C-N 3.34Å; M818-K820 PolarHBondContact O-N 2.99Å; M818-M821 HydrophobicContact CE-CE 3.41Å; M818-M821 VanDerWaalsContact CE-CE 3.41Å; M818-M821 WeakPolarHBondContact O-CB 3.37Å; M818-M821 PolarHBondContact O-N 2.79Å; M818-M821 HydrophobicContact SD-CE 3.4Å; M818-M821 WeakPolarHBondContact SD-CE 3.5Å; M818-I822 WeakPolarHBondContact O-CG1 3.4Å; M818-I822 PolarHBondContact O-N 3.23Å |
| 819 | V | 82.2 | Confident | 71.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.2 | -43 | 178.4 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | I686 I815 R816 M821 I822 L823 L839 L844 Y847 | I686-V819 HydrophobicContact CG2-CG2 3.76Å; I815-V819 PolarHBondContact O-N 3.4Å; R816-V819 PolarHBondContact O-N 2.8Å; V819-M821 VanDerWaalsContact C-N 3.27Å; V819-M821 PolarHBondContact O-N 3.37Å; V819-I822 PolarHBondContact O-N 2.94Å; V819-I822 VanDerWaalsContact O-N 3.16Å; V819-L823 HydrophobicContact CG1-CD1 3.94Å; V819-L823 HydrophobicContact CG1-CG 4.25Å; V819-L823 WeakPolarHBondContact O-CG 3.45Å; V819-L823 PolarHBondContact O-N 2.98Å; V819-L839 HydrophobicContact CG1-CD2 4.43Å; V819-L844 HydrophobicContact CB-CD2 3.89Å; V819-L844 HydrophobicContact CG1-CD2 3.92Å; V819-L844 HydrophobicContact CG2-CD2 3.86Å; V819-Y847 HydrophobicContact CB-CE1 4.45Å; V819-Y847 HydrophobicContact CG1-CD1 3.8Å; V819-Y847 HydrophobicContact CG1-CE1 3.74Å; V819-Y847 HydrophobicContact CG1-CG 4.4Å; V819-Y847 HydrophobicContact CG2-CD1 4.06Å; V819-Y847 HydrophobicContact CG2-CE1 4.13Å |
| 820 | K | 80.2 | Confident | 71.8 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 22% | 0.217 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57 | -41 | 173.1 | -76.4 | -179.9 | 176.6 | -171.8 | 0 | 112.8 | R816 M818 R824 F829 N836 L839 | R816-K820 WeakPolarHBondContact O-CG 3.46Å; R816-K820 PolarHBondContact O-N 3.26Å; M818-K820 VanDerWaalsContact C-N 3.34Å; M818-K820 PolarHBondContact O-N 2.99Å; K820-R824 WeakPolarHBondContact O-CB 3.1Å; K820-R824 VanDerWaalsContact O-CG 3.27Å; K820-R824 WeakPolarHBondContact O-CG 3.39Å; K820-R824 PolarHBondContact O-N 3.19Å; K820-F829 HydrophobicContact CG-CE2 4.3Å; K820-N836 PolarHBondContact NZ-OD1 2.9Å; K820-L839 HydrophobicContact CD-CD1 4.09Å; K820-L839 HydrophobicContact CG-CD1 3.62Å |
| 821 | M | 79.4 | Confident | 71.8 | Confident | 29 Ų | 29 | 57.6 Ų | 57.6 | 14% | 0.143 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.5 | -37.1 | 179.1 | -171.8 | 172.3 | 55.1 | 0 | 0 | 111.7 | L755 S817 M818 V819 R825 | L755-M821 HydrophobicContact CD1-CE 3.34Å; L755-M821 HydrophobicContact CD1-CG 4.15Å; L755-M821 HydrophobicContact CD1-SD 3.91Å; L755-M821 HydrophobicContact CD2-CE 3.43Å; L755-M821 VanDerWaalsContact CD2-CE 3.43Å; L755-M821 HydrophobicContact CD2-SD 4.01Å; L755-M821 HydrophobicContact CG-CE 4.04Å; S817-M821 PolarHBondContact O-N 3.02Å; S817-M821 VanDerWaalsContact O-N 3.15Å; M818-M821 HydrophobicContact CE-CE 3.41Å; M818-M821 VanDerWaalsContact CE-CE 3.41Å; M818-M821 WeakPolarHBondContact O-CB 3.37Å; M818-M821 PolarHBondContact O-N 2.79Å; M818-M821 HydrophobicContact SD-CE 3.4Å; M818-M821 WeakPolarHBondContact SD-CE 3.5Å; V819-M821 VanDerWaalsContact C-N 3.27Å; V819-M821 PolarHBondContact O-N 3.37Å; M821-R825 PolarHBondContact O-N 3.38Å; M821-R825 VanDerWaalsContact O-N 3.15Å |
| 822 | I | 82.6 | Confident | 71.3 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.1 | -51.5 | 173.8 | -61.3 | 162.9 | 0 | 0 | 0 | 110.3 | I686 L753 L758 M818 V819 R824 R825 E826 Y847 | I686-I822 HydrophobicContact CD1-CD1 4.22Å; I686-I822 HydrophobicContact CG1-CD1 4.18Å; I686-I822 HydrophobicContact CG2-CD1 4.16Å; L753-I822 HydrophobicContact CD2-CD1 3.93Å; L753-I822 HydrophobicContact CD2-CG1 4.22Å; L753-I822 HydrophobicContact CD2-CG2 3.91Å; L758-I822 HydrophobicContact CD2-CG1 4.31Å; L758-I822 HydrophobicContact CD2-CG2 4.12Å; M818-I822 WeakPolarHBondContact O-CG1 3.4Å; M818-I822 PolarHBondContact O-N 3.23Å; V819-I822 PolarHBondContact O-N 2.94Å; V819-I822 VanDerWaalsContact O-N 3.16Å; I822-R824 VanDerWaalsContact C-N 3.28Å; I822-R824 PolarHBondContact O-N 2.92Å; I822-R825 WeakPolarHBondContact O-CA 2.98Å; I822-R825 WeakPolarHBondContact O-CB 3.42Å; I822-R825 PolarHBondContact O-N 3.3Å; I822-E826 HydrophobicContact CG2-CG 4.35Å; I822-E826 PolarHBondContact O-N 3.08Å; I822-Y847 WeakPolarHBondContact CG2-OH 3.34Å |
| 823 | L | 82.2 | Confident | 70.7 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.4 | -39.5 | 179.4 | -69.2 | 171.9 | 0 | 0 | 0 | 112.1 | V819 R825 E826 G827 E828 F829 L839 Y847 | V819-L823 HydrophobicContact CG1-CD1 3.94Å; V819-L823 HydrophobicContact CG1-CG 4.25Å; V819-L823 WeakPolarHBondContact O-CG 3.45Å; V819-L823 PolarHBondContact O-N 2.98Å; L823-R825 VanDerWaalsContact C-N 3.31Å; L823-R825 PolarHBondContact O-N 2.85Å; L823-E826 PolarHBondContact O-N 3.33Å; L823-G827 PolarHBondContact O-N 3.19Å; L823-G827 VanDerWaalsContact O-N 3.17Å; L823-E828 HydrophobicContact CD2-CB 4.3Å; L823-E828 PolarHBondContact O-N 3.25Å; L823-E828 VanDerWaalsContact O-N 3.17Å; L823-F829 HydrophobicContact CB-CB 4.23Å; L823-F829 HydrophobicContact CB-CD2 3.87Å; L823-F829 HydrophobicContact CD1-CD2 4.2Å; L823-F829 PolarHBondContact O-N 3.24Å; L823-L839 HydrophobicContact CD1-CD2 4.32Å; L823-Y847 HydrophobicContact CD2-CE2 3.67Å; L823-Y847 HydrophobicContact CG-CE2 4.46Å |
| 824 | R | 77.3 | Confident | 69.7 | Low | 142 Ų | 142 | 59.7 Ų | 59.7 | 54% | 0.536 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.3 | -34.8 | 173.5 | -77.4 | 176.7 | 179.4 | -166.2 | -4.5 | 112.7 | K820 I822 F829 E834 | K820-R824 WeakPolarHBondContact O-CB 3.1Å; K820-R824 VanDerWaalsContact O-CG 3.27Å; K820-R824 WeakPolarHBondContact O-CG 3.39Å; K820-R824 PolarHBondContact O-N 3.19Å; I822-R824 VanDerWaalsContact C-N 3.28Å; I822-R824 PolarHBondContact O-N 2.92Å; R824-F829 HydrophobicContact CB-CB 4.46Å; R824-F829 HydrophobicContact CG-CB 3.8Å; R824-F829 HydrophobicContact CG-CD1 4.12Å; R824-F829 HydrophobicContact CG-CG 3.9Å; R824-E834 IonicContact NH2-OE1 2.78Å; R824-E834 PolarHBondContact NH2-OE1 2.84Å |
| 825 | R | 74.6 | Confident | 68.6 | Low | 80 Ų | 80 | 66.8 Ų | 66.8 | 30% | 0.302 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -73.5 | -35.5 | 175.3 | -82 | -152.8 | 73.7 | 163.9 | 3.1 | 112.9 | L755 T756 L758 M821 I822 L823 G827 W1020 | L755-R825 PolarHBondContact O-NH1 3.25Å; T756-R825 PolarHBondContact O-NH1 2.81Å; T756-R825 PolarHBondContact O-NH2 3.43Å; L758-R825 HydrophobicContact CD1-CB 3.79Å; M821-R825 PolarHBondContact O-N 3.38Å; M821-R825 VanDerWaalsContact O-N 3.15Å; I822-R825 WeakPolarHBondContact O-CA 2.98Å; I822-R825 WeakPolarHBondContact O-CB 3.42Å; I822-R825 PolarHBondContact O-N 3.3Å; L823-R825 VanDerWaalsContact C-N 3.31Å; L823-R825 PolarHBondContact O-N 2.85Å; R825-G827 PolarHBondContact O-N 2.94Å; R825-W1020 HydrophobicContact CG-CH2 3.79Å; R825-W1020 HydrophobicContact CG-CZ2 3.64Å; R825-W1020 HydrophobicContact CG-CZ3 4.43Å |
| 826 | E | 75.1 | Confident | 67.5 | Low | 49 Ų | 49 | 70.2 Ų | 70.2 | 23% | 0.229 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -74.9 | -9.6 | 177.9 | -67.9 | 179.3 | 165.2 | 0 | 0 | 112.2 | L758 I822 L823 E828 Y847 R851 | L758-E826 HydrophobicContact CD1-CG 3.85Å; I822-E826 HydrophobicContact CG2-CG 4.35Å; I822-E826 PolarHBondContact O-N 3.08Å; L823-E826 PolarHBondContact O-N 3.33Å; E826-E828 HydrophobicContact CB-CG 4.14Å; E826-E828 PolarHBondContact O-N 3.46Å; E826-Y847 PolarHBondContact OE2-OH 3.47Å; E826-R851 IonicContact OE1-CZ 3.19Å; E826-R851 IonicContact OE1-NE 2.7Å; E826-R851 PolarHBondContact OE1-NE 2.69Å; E826-R851 IonicContact OE1-NH2 2.8Å; E826-R851 PolarHBondContact OE1-NH2 3.09Å; E826-R851 IonicContact OE2-NE 2.91Å |
| 827 | G | 67.5 | Low | 66.6 | Low | 60 Ų | 60 | 74.1 Ų | 74.1 | 62% | 0.619 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 5.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L823 R825 F829 | L823-G827 PolarHBondContact O-N 3.19Å; L823-G827 VanDerWaalsContact O-N 3.17Å; R825-G827 PolarHBondContact O-N 2.94Å; G827-F829 PolarHBondContact O-N 3.03Å |
| 828 | E | 63.2 | Low | 66.1 | Low | 112 Ų | 112 | 75.8 Ų | 75.8 | 52% | 0.523 | 38% | 0.382 | S | S | . | . | trans | -79.6 | -3.6 | 178.3 | -63.3 | -172.1 | 175.2 | 0 | 0 | 112.5 | L823 E826 | L823-E828 HydrophobicContact CD2-CB 4.3Å; L823-E828 PolarHBondContact O-N 3.25Å; L823-E828 VanDerWaalsContact O-N 3.17Å; E826-E828 HydrophobicContact CB-CG 4.14Å; E826-E828 PolarHBondContact O-N 3.46Å | ||
| 829 | F | 55.5 | Low | 65.9 | Low | 26 Ų | 26 | 75.8 Ų | 75.8 | 11% | 0.114 | 38% | 0.383 | C | S | . | . | trans | -98.3 | 96.7 | -179 | -151.7 | -84.6 | 0 | 0 | 0 | 111.7 | K820 L823 R824 G827 E834 F838 | K820-F829 HydrophobicContact CG-CE2 4.3Å; L823-F829 HydrophobicContact CB-CB 4.23Å; L823-F829 HydrophobicContact CB-CD2 3.87Å; L823-F829 HydrophobicContact CD1-CD2 4.2Å; L823-F829 PolarHBondContact O-N 3.24Å; R824-F829 HydrophobicContact CB-CB 4.46Å; R824-F829 HydrophobicContact CG-CB 3.8Å; R824-F829 HydrophobicContact CG-CD1 4.12Å; R824-F829 HydrophobicContact CG-CG 3.9Å; G827-F829 PolarHBondContact O-N 3.03Å; F829-E834 HydrophobicContact CE1-CG 4.08Å; F829-F838 HydrophobicContact CE2-CE1 4.4Å; F829-F838 HydrophobicContact CE2-CZ 4.01Å | ||
| 830 | D | 53.6 | Low | 65.8 | Low | 110 Ų | 110 | 79 Ų | 79 | 59% | 0.588 | 40% | 0.402 | S | S | * | . | trans | -67.9 | 135.8 | 168.2 | -81.1 | -34.6 | 0 | 0 | 0 | 110.8 | S832 S833 | D830-S832 PolarHBondContact O-N 3.11Å; D830-S832 VanDerWaalsContact O-N 3.11Å; D830-S833 VanDerWaalsContact O-CB 3.31Å; D830-S833 WeakPolarHBondContact O-CB 3.46Å; D830-S833 PolarHBondContact O-N 3.24Å; D830-S833 PolarHBondContact O-OG 2.98Å | ||
| 831 | K | 53.1 | Low | 65.7 | Low | 190 Ų | 190 | 80 Ų | 80 | 83% | 0.826 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -57.7 | -25.4 | 177.3 | -72.1 | -176.2 | 179.5 | 179.2 | 0 | 112.8 | S833 | K831-S833 PolarHBondContact O-N 2.77Š|
| 832 | S | 48 | Very low | 65.8 | Low | 98 Ų | 98 | 82.6 Ų | 82.6 | 69% | 0.685 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -67.1 | -21.8 | 174.8 | 46.7 | 0 | 0 | 0 | 0 | 113.2 | D830 E834 | D830-S832 PolarHBondContact O-N 3.11Å; D830-S832 VanDerWaalsContact O-N 3.11Å; S832-E834 VanDerWaalsContact C-N 3.27Å; S832-E834 PolarHBondContact O-N 3.46Å |
| 833 | S | 47.7 | Very low | 65.9 | Low | 39 Ų | 39 | 86.5 Ų | 86.5 | 27% | 0.273 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -85.5 | 10.9 | -177 | -46.8 | 0 | 0 | 0 | 0 | 113.6 | D830 K831 Q835 | D830-S833 VanDerWaalsContact O-CB 3.31Å; D830-S833 WeakPolarHBondContact O-CB 3.46Å; D830-S833 PolarHBondContact O-N 3.24Å; D830-S833 PolarHBondContact O-OG 2.98Å; K831-S833 PolarHBondContact O-N 2.77Å; S833-Q835 PolarHBondContact O-N 3.3Å |
| 834 | E | 48.8 | Very low | 65.9 | Low | 110 Ų | 110 | 86.6 Ų | 86.6 | 51% | 0.514 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -66.3 | -15.4 | 173.5 | -73.8 | -166.2 | 155 | 0 | 0 | 113.1 | R824 F829 S832 N836 | R824-E834 IonicContact NH2-OE1 2.78Å; R824-E834 PolarHBondContact NH2-OE1 2.84Å; F829-E834 HydrophobicContact CE1-CG 4.08Å; S832-E834 VanDerWaalsContact C-N 3.27Å; S832-E834 PolarHBondContact O-N 3.46Å; E834-N836 VanDerWaalsContact O-CG 3.27Å; E834-N836 PolarHBondContact O-N 2.84Å; E834-N836 VanDerWaalsContact O-N 3.1Å; E834-N836 PolarHBondContact O-ND2 2.77Å; E834-N836 PolarHBondContact O-OD1 3.12Å |
| 835 | Q | 50.8 | Low | 66.2 | Low | 170 Ų | 170 | 83.3 Ų | 83.3 | 79% | 0.794 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -71.1 | 102.2 | 166 | -69.2 | -178 | -8.5 | 0 | 0 | 109 | S833 D837 | S833-Q835 PolarHBondContact O-N 3.3Å; Q835-D837 VanDerWaalsContact C-N 3.27Å; Q835-D837 PolarHBondContact O-N 3.35Å |
| 836 | N | 54.7 | Low | 66.7 | Low | 84 Ų | 84 | 87 Ų | 87 | 45% | 0.449 | 45% | 0.446 | S | S | . | . | trans | -68.6 | 10.7 | -154.2 | -70.5 | -60.2 | 0 | 0 | 0 | 118.4 | K820 E834 F838 | K820-N836 PolarHBondContact NZ-OD1 2.9Å; E834-N836 VanDerWaalsContact O-CG 3.27Å; E834-N836 PolarHBondContact O-N 2.84Å; E834-N836 VanDerWaalsContact O-N 3.1Å; E834-N836 PolarHBondContact O-ND2 2.77Å; E834-N836 PolarHBondContact O-OD1 3.12Å; N836-F838 PolarHBondContact O-N 2.94Å | ||
| 837 | D | 60.2 | Low | 67.1 | Low | 153 Ų | 153 | 85 Ų | 85 | 82% | 0.818 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -15.7 | -160.8 | -74.9 | -8.7 | 0 | 0 | 0 | 115.4 | Q835 | Q835-D837 VanDerWaalsContact C-N 3.27Å; Q835-D837 PolarHBondContact O-N 3.35Å |
| 838 | F | 71.5 | Confident | 68 | Low | 81 Ų | 81 | 82.4 Ų | 82.4 | 36% | 0.355 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -18.8 | -175.8 | 77.3 | -88.4 | 0 | 0 | 0 | 114.9 | F829 N836 T840 Y843 | F829-F838 HydrophobicContact CE2-CE1 4.4Å; F829-F838 HydrophobicContact CE2-CZ 4.01Å; N836-F838 PolarHBondContact O-N 2.94Å; F838-T840 PolarHBondContact O-N 2.92Å; F838-Y843 HydrophobicContact CD2-CE1 4.4Å; F838-Y843 HydrophobicContact CE2-CE1 4.21Å |
| 839 | L | 75.4 | Confident | 69 | Low | 5 Ų | 5 | 79.1 Ų | 79.1 | 3% | 0.026 | 39% | 0.394 | C | S | . | . | trans | -83.1 | 60.6 | -176.4 | -67.9 | 170.9 | 0 | 0 | 0 | 111.6 | R816 V819 K820 L823 Y843 L844 | R816-L839 HydrophobicContact CG-CB 4.33Å; R816-L839 HydrophobicContact CG-CD1 4.1Å; V819-L839 HydrophobicContact CG1-CD2 4.43Å; K820-L839 HydrophobicContact CD-CD1 4.09Å; K820-L839 HydrophobicContact CG-CD1 3.62Å; L823-L839 HydrophobicContact CD1-CD2 4.32Å; L839-Y843 HydrophobicContact CD2-CD1 3.77Å; L839-Y843 HydrophobicContact CD2-CE1 3.69Å; L839-L844 HydrophobicContact CD2-CD2 4.22Å | ||
| 840 | T | 80.4 | Confident | 70.4 | Confident | 66 Ų | 66 | 83.3 Ų | 83.3 | 41% | 0.405 | 41% | 0.414 | S | S | . | . | trans | -69.9 | 156.5 | 175.4 | 61.5 | 0 | 0 | 0 | 0 | 111.3 | F838 D842 Y843 L844 | F838-T840 PolarHBondContact O-N 2.92Å; T840-D842 PolarHBondContact O-N 3.3Å; T840-Y843 WeakPolarHBondContact O-CB 3.39Å; T840-Y843 PolarHBondContact O-N 3.34Å; T840-Y843 WeakPolarHBondContact OG1-CB 3.44Å; T840-Y843 PolarHBondContact OG1-N 2.88Å; T840-L844 WeakPolarHBondContact O-CG 3.12Å; T840-L844 PolarHBondContact O-N 2.92Å | ||
| 841 | P | 78.4 | Confident | 71.8 | Confident | 71 Ų | 71 | 79.1 Ų | 79.1 | 46% | 0.461 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -53.8 | -38.7 | 175.5 | -28.4 | 36 | 0 | 0 | 0 | 113.7 | L844 Y845 | P841-L844 PolarHBondContact O-N 3.37Å; P841-Y845 WeakPolarHBondContact O-CB 3.33Å; P841-Y845 PolarHBondContact O-N 3.16Å |
| 842 | D | 81.8 | Confident | 73.1 | Confident | 85 Ų | 85 | 70 Ų | 70 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 175 | -179.6 | 66.1 | 0 | 0 | 0 | 111.9 | T840 L844 Y845 R846 | T840-D842 PolarHBondContact O-N 3.3Å; D842-L844 PolarHBondContact O-N 2.91Å; D842-Y845 PolarHBondContact O-N 3.39Å; D842-R846 WeakPolarHBondContact O-CB 3.49Å; D842-R846 WeakPolarHBondContact O-CG 3.48Å; D842-R846 PolarHBondContact O-N 3.44Å; D842-R846 IonicContact OD1-CZ 3.69Å; D842-R846 IonicContact OD1-NE 2.86Å; D842-R846 PolarHBondContact OD1-NE 3.01Å; D842-R846 IonicContact OD1-NH2 3.13Å; D842-R846 IonicContact OD2-CZ 3.51Å; D842-R846 IonicContact OD2-NE 2.65Å; D842-R846 PolarHBondContact OD2-NE 2.75Å; D842-R846 IonicContact OD2-NH2 3.86Å; D842-R846 PolarHBondContact OD2-NH2 3.32Å |
| 843 | Y | 84.1 | Confident | 74.5 | Confident | 81 Ų | 81 | 66.9 Ų | 66.9 | 32% | 0.318 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 174.3 | -180 | -90.3 | 0 | 0 | 0 | 111.5 | F838 L839 T840 Y845 R846 Y847 | F838-Y843 HydrophobicContact CD2-CE1 4.4Å; F838-Y843 HydrophobicContact CE2-CE1 4.21Å; L839-Y843 HydrophobicContact CD2-CD1 3.77Å; L839-Y843 HydrophobicContact CD2-CE1 3.69Å; T840-Y843 WeakPolarHBondContact O-CB 3.39Å; T840-Y843 PolarHBondContact O-N 3.34Å; T840-Y843 WeakPolarHBondContact OG1-CB 3.44Å; T840-Y843 PolarHBondContact OG1-N 2.88Å; Y843-Y845 VanDerWaalsContact C-N 3.34Å; Y843-Y845 PolarHBondContact O-N 3.49Å; Y843-R846 PolarHBondContact O-N 3.22Å; Y843-Y847 HydrophobicContact CE1-CD2 4.47Å; Y843-Y847 WeakPolarHBondContact O-CB 3.33Å; Y843-Y847 PolarHBondContact O-N 2.66Å |
| 844 | L | 82.2 | Confident | 75.2 | Confident | 6 Ų | 6 | 69 Ų | 69 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 178.7 | -65.2 | 174.5 | 0 | 0 | 0 | 111.8 | E711 R816 V819 L839 T840 P841 D842 T848 | E711-L844 HydrophobicContact CB-CD1 4.4Å; E711-L844 VanDerWaalsContact OE2-CD1 3.24Å; E711-L844 WeakPolarHBondContact OE2-CD1 3.22Å; R816-L844 HydrophobicContact CB-CD1 4.08Å; R816-L844 HydrophobicContact CG-CD1 4.41Å; V819-L844 HydrophobicContact CB-CD2 3.89Å; V819-L844 HydrophobicContact CG1-CD2 3.92Å; V819-L844 HydrophobicContact CG2-CD2 3.86Å; L839-L844 HydrophobicContact CD2-CD2 4.22Å; T840-L844 WeakPolarHBondContact O-CG 3.12Å; T840-L844 PolarHBondContact O-N 2.92Å; P841-L844 PolarHBondContact O-N 3.37Å; D842-L844 PolarHBondContact O-N 2.91Å; L844-T848 VanDerWaalsContact O-CB 3.31Å; L844-T848 WeakPolarHBondContact O-CB 3.46Å; L844-T848 PolarHBondContact O-N 2.65Å; L844-T848 PolarHBondContact O-OG1 3.01Å |
| 845 | Y | 83.8 | Confident | 75.8 | Confident | 73 Ų | 73 | 73 Ų | 73 | 29% | 0.286 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.4 | -52.2 | 176.5 | -179.4 | -93.4 | 0 | 0 | 0 | 111.5 | V708 P841 D842 Y843 Y847 T848 L849 | V708-Y845 HydrophobicContact CB-CD2 4.05Å; V708-Y845 HydrophobicContact CB-CE2 3.86Å; V708-Y845 HydrophobicContact CG1-CD2 4.25Å; V708-Y845 HydrophobicContact CG2-CE2 4.33Å; P841-Y845 WeakPolarHBondContact O-CB 3.33Å; P841-Y845 PolarHBondContact O-N 3.16Å; D842-Y845 PolarHBondContact O-N 3.39Å; Y843-Y845 VanDerWaalsContact C-N 3.34Å; Y843-Y845 PolarHBondContact O-N 3.49Å; Y845-Y847 PolarHBondContact O-N 3.44Å; Y845-T848 PolarHBondContact O-N 2.72Å; Y845-L849 HydrophobicContact CD1-CD1 3.96Å; Y845-L849 HydrophobicContact CE1-CD1 3.32Å; Y845-L849 HydrophobicContact CE1-CG 4.3Å; Y845-L849 PolarHBondContact O-N 3.43Å |
| 846 | R | 83.8 | Confident | 76.3 | Confident | 158 Ų | 158 | 69.8 Ų | 69.8 | 60% | 0.596 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.8 | -44.1 | 178.9 | -69.7 | -176.2 | -169.6 | -151.7 | 2.7 | 112.3 | D842 Y843 T848 L849 Q850 | D842-R846 WeakPolarHBondContact O-CB 3.49Å; D842-R846 WeakPolarHBondContact O-CG 3.48Å; D842-R846 PolarHBondContact O-N 3.44Å; D842-R846 IonicContact OD1-CZ 3.69Å; D842-R846 IonicContact OD1-NE 2.86Å; D842-R846 PolarHBondContact OD1-NE 3.01Å; D842-R846 IonicContact OD1-NH2 3.13Å; D842-R846 IonicContact OD2-CZ 3.51Å; D842-R846 IonicContact OD2-NE 2.65Å; D842-R846 PolarHBondContact OD2-NE 2.75Å; D842-R846 IonicContact OD2-NH2 3.86Å; D842-R846 PolarHBondContact OD2-NH2 3.32Å; Y843-R846 PolarHBondContact O-N 3.22Å; R846-T848 VanDerWaalsContact C-N 3.33Å; R846-T848 PolarHBondContact O-N 3.09Å; R846-L849 PolarHBondContact O-N 2.97Å; R846-Q850 VanDerWaalsContact O-CB 3.28Å; R846-Q850 WeakPolarHBondContact O-CB 3.4Å; R846-Q850 PolarHBondContact O-N 3.11Å |
| 847 | Y | 85.2 | Confident | 76.5 | Confident | 8 Ų | 8 | 67.2 Ų | 67.2 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.3 | -46 | 176.7 | 176 | -93.3 | 0 | 0 | 0 | 111.2 | I686 V819 I822 L823 E826 Y843 Y845 Q850 R851 | I686-Y847 HydrophobicContact CD1-CE1 4.33Å; V819-Y847 HydrophobicContact CB-CE1 4.45Å; V819-Y847 HydrophobicContact CG1-CD1 3.8Å; V819-Y847 HydrophobicContact CG1-CE1 3.74Å; V819-Y847 HydrophobicContact CG1-CG 4.4Å; V819-Y847 HydrophobicContact CG2-CD1 4.06Å; V819-Y847 HydrophobicContact CG2-CE1 4.13Å; I822-Y847 WeakPolarHBondContact CG2-OH 3.34Å; L823-Y847 HydrophobicContact CD2-CE2 3.67Å; L823-Y847 HydrophobicContact CG-CE2 4.46Å; E826-Y847 PolarHBondContact OE2-OH 3.47Å; Y843-Y847 HydrophobicContact CE1-CD2 4.47Å; Y843-Y847 WeakPolarHBondContact O-CB 3.33Å; Y843-Y847 PolarHBondContact O-N 2.66Å; Y845-Y847 PolarHBondContact O-N 3.44Å; Y847-Q850 PolarHBondContact O-N 3.37Å; Y847-R851 HydrophobicContact CD1-CG 4.35Å; Y847-R851 HydrophobicContact CD2-CG 4.29Å; Y847-R851 HydrophobicContact CE1-CG 3.86Å; Y847-R851 HydrophobicContact CE2-CG 3.79Å; Y847-R851 WeakPolarHBondContact O-CB 3.41Å; Y847-R851 PolarHBondContact O-N 2.78Å |
| 848 | T | 85.7 | Confident | 76.1 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 179.7 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | I686 F687 V708 L844 Y845 R846 Q850 L852 | I686-T848 HydrophobicContact CB-CG2 4.14Å; I686-T848 HydrophobicContact CD1-CG2 4.18Å; F687-T848 WeakPolarHBondContact O-CG2 3.44Å; V708-T848 HydrophobicContact CG1-CG2 3.57Å; L844-T848 VanDerWaalsContact O-CB 3.31Å; L844-T848 WeakPolarHBondContact O-CB 3.46Å; L844-T848 PolarHBondContact O-N 2.65Å; L844-T848 PolarHBondContact O-OG1 3.01Å; Y845-T848 PolarHBondContact O-N 2.72Å; R846-T848 VanDerWaalsContact C-N 3.33Å; R846-T848 PolarHBondContact O-N 3.09Å; T848-Q850 VanDerWaalsContact C-N 3.35Å; T848-Q850 PolarHBondContact O-N 3.12Å; T848-L852 HydrophobicContact CG2-CD1 3.75Å; T848-L852 HydrophobicContact CG2-CG 4.43Å; T848-L852 VanDerWaalsContact O-CB 3.26Å; T848-L852 WeakPolarHBondContact O-CB 3.45Å; T848-L852 WeakPolarHBondContact O-CG 3.44Å; T848-L852 PolarHBondContact O-N 3.05Å |
| 849 | L | 84.2 | Confident | 75.3 | Confident | 42 Ų | 42 | 64 Ų | 64 | 22% | 0.22 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 175.5 | -76.4 | 180 | 0 | 0 | 0 | 112.7 | K688 L706 V708 Y845 R846 L852 S853 | K688-L849 HydrophobicContact CD-CD2 4.46Å; L706-L849 HydrophobicContact CD1-CD2 4.1Å; L706-L849 HydrophobicContact CD2-CD2 3.95Å; L706-L849 HydrophobicContact CG-CD2 4.29Å; V708-L849 HydrophobicContact CG2-CD2 3.48Å; V708-L849 VanDerWaalsContact CG2-CD2 3.48Å; V708-L849 HydrophobicContact CG2-CG 3.99Å; Y845-L849 HydrophobicContact CD1-CD1 3.96Å; Y845-L849 HydrophobicContact CE1-CD1 3.32Å; Y845-L849 HydrophobicContact CE1-CG 4.3Å; Y845-L849 PolarHBondContact O-N 3.43Å; R846-L849 PolarHBondContact O-N 2.97Å; L849-L852 CarbonylContact O-C 3.42Å; L849-S853 WeakPolarHBondContact O-CB 3.47Å; L849-S853 PolarHBondContact O-N 2.97Å |
| 850 | Q | 84.1 | Confident | 74.2 | Confident | 115 Ų | 115 | 68.9 Ų | 68.9 | 54% | 0.537 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.1 | -43.7 | -178.8 | -169.6 | -176.8 | 7.1 | 0 | 0 | 111.8 | R846 Y847 T848 S853 | R846-Q850 VanDerWaalsContact O-CB 3.28Å; R846-Q850 WeakPolarHBondContact O-CB 3.4Å; R846-Q850 PolarHBondContact O-N 3.11Å; Y847-Q850 PolarHBondContact O-N 3.37Å; T848-Q850 VanDerWaalsContact C-N 3.35Å; T848-Q850 PolarHBondContact O-N 3.12Å; Q850-S853 WeakPolarHBondContact O-CB 3.48Å; Q850-S853 PolarHBondContact O-N 3.44Å; Q850-S853 PolarHBondContact O-OG 2.99Å |
| 851 | R | 83 | Confident | 72.9 | Confident | 21 Ų | 21 | 72.3 Ų | 72.3 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -71 | -38.2 | 177.3 | -73 | -59.7 | -74.4 | 120.9 | -8.9 | 112.5 | I686 E826 Y847 S853 N857 | I686-R851 HydrophobicContact CD1-CB 4.33Å; E826-R851 IonicContact OE1-CZ 3.19Å; E826-R851 IonicContact OE1-NE 2.7Å; E826-R851 PolarHBondContact OE1-NE 2.69Å; E826-R851 IonicContact OE1-NH2 2.8Å; E826-R851 PolarHBondContact OE1-NH2 3.09Å; E826-R851 IonicContact OE2-NE 2.91Å; Y847-R851 HydrophobicContact CD1-CG 4.35Å; Y847-R851 HydrophobicContact CD2-CG 4.29Å; Y847-R851 HydrophobicContact CE1-CG 3.86Å; Y847-R851 HydrophobicContact CE2-CG 3.79Å; Y847-R851 WeakPolarHBondContact O-CB 3.41Å; Y847-R851 PolarHBondContact O-N 2.78Å; R851-S853 PolarHBondContact O-N 3.15Å; R851-N857 PolarHBondContact O-ND2 2.78Å |
| 852 | L | 82.3 | Confident | 71.8 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 27.3 | 175.9 | -57.6 | 179.3 | 0 | 0 | 0 | 112.5 | I686 K688 L753 Y760 T848 L849 | I686-L852 HydrophobicContact CD1-CD1 4.34Å; I686-L852 HydrophobicContact CD1-CD2 4.4Å; I686-L852 HydrophobicContact CD1-CG 4.12Å; I686-L852 HydrophobicContact CG1-CD1 4.19Å; I686-L852 HydrophobicContact CG1-CD2 4.38Å; I686-L852 HydrophobicContact CG1-CG 4.36Å; K688-L852 HydrophobicContact CB-CB 4.34Å; K688-L852 HydrophobicContact CB-CD1 3.61Å; K688-L852 HydrophobicContact CD-CB 4.22Å; K688-L852 PolarHBondContact NZ-O 2.9Å; L753-L852 HydrophobicContact CB-CD2 4.18Å; Y760-L852 HydrophobicContact CD2-CB 4.3Å; Y760-L852 HydrophobicContact CD2-CD2 3.55Å; Y760-L852 HydrophobicContact CE2-CB 3.84Å; Y760-L852 HydrophobicContact CE2-CD2 3.8Å; Y760-L852 HydrophobicContact CE2-CG 4.41Å; T848-L852 HydrophobicContact CG2-CD1 3.75Å; T848-L852 HydrophobicContact CG2-CG 4.43Å; T848-L852 VanDerWaalsContact O-CB 3.26Å; T848-L852 WeakPolarHBondContact O-CB 3.45Å; T848-L852 WeakPolarHBondContact O-CG 3.44Å; T848-L852 PolarHBondContact O-N 3.05Å; L849-L852 CarbonylContact O-C 3.42Å |
| 853 | S | 75.8 | Confident | 70.9 | Confident | 31 Ų | 31 | 72.1 Ų | 72.1 | 22% | 0.217 | 37% | 0.37 | C | S | . | . | trans | -90.7 | 134 | 171.8 | 71.5 | 0 | 0 | 0 | 0 | 110.1 | L849 Q850 R851 K855 R856 N857 | L849-S853 WeakPolarHBondContact O-CB 3.47Å; L849-S853 PolarHBondContact O-N 2.97Å; Q850-S853 WeakPolarHBondContact O-CB 3.48Å; Q850-S853 PolarHBondContact O-N 3.44Å; Q850-S853 PolarHBondContact O-OG 2.99Å; R851-S853 PolarHBondContact O-N 3.15Å; S853-K855 PolarHBondContact O-N 3.08Å; S853-R856 PolarHBondContact O-N 3.06Å; S853-R856 VanDerWaalsContact O-N 3.15Å; S853-N857 PolarHBondContact O-ND2 3.34Å | ||
| 854 | I | 62.2 | Low | 69.9 | Low | 83 Ų | 83 | 69 Ų | 69 | 43% | 0.426 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -58.1 | -35.8 | 177.6 | -63.1 | 166.3 | 0 | 0 | 0 | 110.4 | Y760 R856 N857 | Y760-I854 HydrophobicContact CE1-CG1 4.19Å; I854-R856 VanDerWaalsContact C-N 3.26Å; I854-R856 PolarHBondContact O-N 2.84Å; I854-N857 CarbonylContact O-C 3.56Å; I854-N857 PolarHBondContact O-N 3Å; I854-N857 VanDerWaalsContact O-N 3.14Å |
| 855 | K | 62.5 | Low | 69.3 | Low | 194 Ų | 194 | 72.9 Ų | 72.9 | 84% | 0.843 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -58.4 | -31.6 | 179.2 | -66.7 | -174.7 | 178.9 | -178.6 | 0 | 113.9 | S853 | S853-K855 PolarHBondContact O-N 3.08Š|
| 856 | R | 60.2 | Low | 68.8 | Low | 103 Ų | 103 | 73.6 Ų | 73.6 | 39% | 0.389 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -87.3 | -21.8 | -179.9 | -161 | 173.1 | 179.2 | 178.5 | -2.1 | 112.4 | S853 I854 | S853-R856 PolarHBondContact O-N 3.06Å; S853-R856 VanDerWaalsContact O-N 3.15Å; I854-R856 VanDerWaalsContact C-N 3.26Å; I854-R856 PolarHBondContact O-N 2.84Å |
| 857 | N | 60.9 | Low | 67.9 | Low | 31 Ų | 31 | 67.4 Ų | 67.4 | 17% | 0.166 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -115.5 | 48.7 | -174.9 | -53.4 | -48.2 | 0 | 0 | 0 | 110.8 | Y760 R851 S853 I854 T859 | Y760-N857 VanDerWaalsContact CB-CG 3.49Å; Y760-N857 WeakPolarHBondContact CB-ND2 3.34Å; Y760-N857 HydrophobicContact CD1-CB 4Å; Y760-N857 HydrophobicContact CG-CB 4.14Å; Y760-N857 VanDerWaalsContact CG-ND2 3.35Å; R851-N857 PolarHBondContact O-ND2 2.78Å; S853-N857 PolarHBondContact O-ND2 3.34Å; I854-N857 CarbonylContact O-C 3.56Å; I854-N857 PolarHBondContact O-N 3Å; I854-N857 VanDerWaalsContact O-N 3.14Å; N857-T859 PolarHBondContact O-N 2.99Å |
| 858 | T | 50.4 | Low | 66.6 | Low | 112 Ų | 112 | 72.1 Ų | 72.1 | 69% | 0.687 | 39% | 0.389 | S | S | * | . | trans | -62.5 | 92.5 | 177.2 | 46.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 859 | T | 54.4 | Low | 64.9 | Low | 53 Ų | 53 | 74 Ų | 74 | 33% | 0.325 | 40% | 0.403 | S | S | . | . | trans | -64.1 | 154.5 | 151.2 | 52.7 | 0 | 0 | 0 | 0 | 107.9 | N857 N861 G862 I863 | N857-T859 PolarHBondContact O-N 2.99Å; T859-N861 PolarHBondContact O-N 2.9Å; T859-G862 PolarHBondContact O-N 2.88Å; T859-G862 PolarHBondContact OG1-N 2.98Å; T859-I863 PolarHBondContact OG1-N 2.89Å; T859-I863 PolarHBondContact OG1-O 3.39Å | ||
| 860 | A | 53.4 | Low | 63.3 | Low | 108 Ų | 108 | 72.8 Ų | 72.8 | 89% | 0.893 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -25.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 861 | N | 53.7 | Low | 61.8 | Low | 138 Ų | 138 | 70.1 Ų | 70.1 | 74% | 0.738 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 2.4 | -178.7 | -61.2 | -7.7 | 0 | 0 | 0 | 113.8 | T859 I863 | T859-N861 PolarHBondContact O-N 2.9Å; N861-I863 PolarHBondContact O-N 2.89Å |
| 862 | G | 55 | Low | 60.6 | Low | 35 Ų | 35 | 70.5 Ų | 70.5 | 36% | 0.361 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 66.5 | 2.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | T859 | T859-G862 PolarHBondContact O-N 2.88Å; T859-G862 PolarHBondContact OG1-N 2.98Å |
| 863 | I | 61.7 | Low | 59.7 | Low | 117 Ų | 117 | 71.1 Ų | 71.1 | 60% | 0.6 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -92.8 | 119.7 | 177.4 | -59.1 | 168.4 | 0 | 0 | 0 | 107.7 | T859 N861 | T859-I863 PolarHBondContact OG1-N 2.89Å; T859-I863 PolarHBondContact OG1-O 3.39Å; N861-I863 PolarHBondContact O-N 2.89Å |
| 864 | P | 63.9 | Low | 59.7 | Low | 15 Ų | 15 | 72.1 Ų | 72.1 | 10% | 0.097 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 140 | 172 | 22.4 | -27.2 | 0 | 0 | 0 | 110.3 | Y751 Y760 V762 Q866 | Y751-P864 HydrophobicContact CD1-CG 4.42Å; Y751-P864 HydrophobicContact CE1-CG 3.74Å; Y760-P864 HydrophobicContact CD1-CB 3.6Å; Y760-P864 HydrophobicContact CD1-CG 4.37Å; Y760-P864 HydrophobicContact CE1-CB 3.57Å; Y760-P864 HydrophobicContact CE1-CG 3.84Å; V762-P864 HydrophobicContact CG2-CB 4.2Å; V762-P864 HydrophobicContact CG2-CG 3.83Å; P864-Q866 PolarHBondContact O-N 2.76Å |
| 865 | N | 69.8 | Low | 60.7 | Low | 88 Ų | 88 | 68.7 Ų | 68.7 | 47% | 0.471 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 135.6 | 177.1 | -68.9 | -19.7 | 0 | 0 | 0 | 109.4 | V761 V762 M867 | V761-N865 CarbonylContact C-O 3.58Å; V761-N865 WeakPolarHBondContact CA-O 3.12Å; V761-N865 WeakPolarHBondContact CB-O 3.44Å; V761-N865 HydrophobicContact CG1-CB 4.48Å; V762-N865 PolarHBondContact N-O 3.31Å; N865-M867 PolarHBondContact O-N 2.78Å |
| 866 | Q | 73 | Confident | 61.7 | Low | 88 Ų | 88 | 60.8 Ų | 60.8 | 41% | 0.411 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 135 | 164.6 | -168.4 | 73.4 | 26.9 | 0 | 0 | 107.2 | V762 I763 P864 I868 | V762-Q866 PolarHBondContact O-NE2 3.47Å; I763-Q866 PolarHBondContact O-NE2 3.1Å; P864-Q866 PolarHBondContact O-N 2.76Å; Q866-I868 PolarHBondContact O-N 3.4Å |
| 867 | M | 65.8 | Low | 62.9 | Low | 29 Ų | 29 | 57.6 Ų | 57.6 | 14% | 0.143 | 33% | 0.333 | C | S | . | . | trans | -58.9 | 111.9 | 172.6 | -170.6 | 171 | -178.9 | 0 | 0 | 107.8 | P681 N683 V761 V762 I763 N865 | P681-M867 HydrophobicContact CB-CE 4.01Å; P681-M867 HydrophobicContact CG-CE 4.27Å; P681-M867 HydrophobicContact CG-SD 4.27Å; N683-M867 HydrophobicContact CB-CE 4.27Å; V761-M867 HydrophobicContact CB-CB 4.28Å; V761-M867 HydrophobicContact CG2-CB 4.02Å; V761-M867 HydrophobicContact CG2-CG 4.3Å; V761-M867 HydrophobicContact CG2-SD 4.41Å; V762-M867 VanDerWaalsContact O-CB 3.3Å; V762-M867 WeakPolarHBondContact O-CB 3.44Å; V762-M867 PolarHBondContact O-N 3.49Å; I763-M867 HydrophobicContact CG1-SD 4.36Å; N865-M867 PolarHBondContact O-N 2.78Å | ||
| 868 | I | 56.4 | Low | 64 | Low | 106 Ų | 106 | 60.7 Ų | 60.7 | 54% | 0.544 | 35% | 0.349 | S | S | . | . | trans | -64.6 | 138.8 | 176.7 | -52.3 | 172.2 | 0 | 0 | 0 | 107.6 | Q866 Q1087 | Q866-I868 PolarHBondContact O-N 3.4Å; I868-Q1087 HydrophobicContact CG2-CG 4.3Å | ||
| 869 | S | 50.7 | Low | 65.6 | Low | 46 Ų | 46 | 57 Ų | 57 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -65.6 | 174.4 | -179.6 | 54 | 0 | 0 | 0 | 0 | 114.6 | I1085 Q1087 | S869-I1085 WeakPolarHBondContact OG-CB 3.42Å; S869-I1085 WeakPolarHBondContact OG-CD1 3.39Å; S869-I1085 WeakPolarHBondContact OG-CG1 3.49Å; S869-I1085 WeakPolarHBondContact OG-CG2 3.48Å; S869-Q1087 PolarHBondContact O-NE2 3.03Å |
| 870 | A | 49.4 | Very low | 67.2 | Low | 16 Ų | 16 | 54.5 Ų | 54.5 | 13% | 0.132 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 53.8 | 58.8 | -164.4 | 0 | 0 | 0 | 0 | 0 | 114 | N1025 L1083 | A870-N1025 PolarHBondContact O-ND2 2.89Å; A870-L1083 HydrophobicContact CB-CD2 3.71Å |
| 871 | F | 53.1 | Low | 68.9 | Low | 58 Ų | 58 | 49.4 Ų | 49.4 | 25% | 0.254 | 27% | 0.268 | S | S | . | . | trans | -3.3 | 127.6 | 163.9 | -50.6 | -75 | 0 | 0 | 0 | 115.1 | P681 F873 N1025 | P681-F871 HydrophobicContact CB-CD1 3.66Å; P681-F871 HydrophobicContact CB-CE1 3.77Å; P681-F871 HydrophobicContact CG-CD1 3.93Å; P681-F871 HydrophobicContact CG-CE1 3.49Å; P681-F871 VanDerWaalsContact CG-CE1 3.49Å; F871-F873 HydrophobicContact CB-CD1 4.02Å; F871-F873 HydrophobicContact CB-CD2 3.75Å; F871-F873 HydrophobicContact CB-CE1 3.87Å; F871-F873 HydrophobicContact CB-CE2 3.61Å; F871-F873 HydrophobicContact CB-CG 3.98Å; F871-F873 HydrophobicContact CB-CZ 3.69Å; F871-F873 AromaticContact CD2-CE1 3.78Å; F871-F873 HydrophobicContact CD2-CE1 3.78Å; F871-F873 AromaticContact CD2-CE2 3.59Å; F871-F873 HydrophobicContact CD2-CE2 3.59Å; F871-F873 AromaticContact CD2-CZ 3.13Å; F871-F873 HydrophobicContact CD2-CZ 3.13Å; F871-F873 AromaticContact CE2-CZ 3.96Å; F871-F873 HydrophobicContact CE2-CZ 3.96Å; F871-F873 AromaticContact CG-CE1 3.9Å; F871-F873 HydrophobicContact CG-CE1 3.9Å; F871-F873 HydrophobicContact CG-CE2 4Å; F871-F873 AromaticContact CG-CZ 3.65Å; F871-F873 HydrophobicContact CG-CZ 3.65Å; F871-F873 WeakPolarHBondContact O-CD2 3.44Å; F871-F873 PolarHBondContact O-N 3.4Å; F871-N1025 PolarHBondContact O-ND2 3.32Å | ||
| 872 | P | 57.4 | Low | 70.6 | Confident | 29 Ų | 29 | 43.4 Ų | 43.4 | 19% | 0.188 | 24% | 0.236 | C | C | . | . | trans | -63.6 | 92.5 | 147.6 | 24 | -22 | 0 | 0 | 0 | 105.4 | N683 T756 F1022 | N683-P872 HydrophobicContact CB-CG 3.84Å; N683-P872 VanDerWaalsContact ND2-CG 3.33Å; N683-P872 WeakPolarHBondContact ND2-CG 3.45Å; T756-P872 HydrophobicContact CG2-CG 4.32Å; P872-F1022 HydrophobicContact CB-CB 3.99Å; P872-F1022 HydrophobicContact CB-CD1 3.89Å; P872-F1022 HydrophobicContact CB-CG 4.21Å; P872-F1022 WeakPolarHBondContact O-CD1 3.14Å; P872-F1022 VanDerWaalsContact O-CE1 3.24Å; P872-F1022 WeakPolarHBondContact O-CE1 3.48Å | ||
| 873 | F | 64.5 | Low | 72.3 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 6% | 0.057 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 145.6 | 163.1 | -68.4 | -73.3 | 0 | 0 | 0 | 107 | L801 F871 Y875 F1076 | L801-F873 HydrophobicContact CD2-CE1 3.54Å; L801-F873 HydrophobicContact CD2-CZ 3.67Å; F871-F873 HydrophobicContact CB-CD1 4.02Å; F871-F873 HydrophobicContact CB-CD2 3.75Å; F871-F873 HydrophobicContact CB-CE1 3.87Å; F871-F873 HydrophobicContact CB-CE2 3.61Å; F871-F873 HydrophobicContact CB-CG 3.98Å; F871-F873 HydrophobicContact CB-CZ 3.69Å; F871-F873 AromaticContact CD2-CE1 3.78Å; F871-F873 HydrophobicContact CD2-CE1 3.78Å; F871-F873 AromaticContact CD2-CE2 3.59Å; F871-F873 HydrophobicContact CD2-CE2 3.59Å; F871-F873 AromaticContact CD2-CZ 3.13Å; F871-F873 HydrophobicContact CD2-CZ 3.13Å; F871-F873 AromaticContact CE2-CZ 3.96Å; F871-F873 HydrophobicContact CE2-CZ 3.96Å; F871-F873 AromaticContact CG-CE1 3.9Å; F871-F873 HydrophobicContact CG-CE1 3.9Å; F871-F873 HydrophobicContact CG-CE2 4Å; F871-F873 AromaticContact CG-CZ 3.65Å; F871-F873 HydrophobicContact CG-CZ 3.65Å; F871-F873 WeakPolarHBondContact O-CD2 3.44Å; F871-F873 PolarHBondContact O-N 3.4Å; F873-Y875 PolarHBondContact O-N 3.35Å; F873-F1076 HydrophobicContact CD1-CE2 4.35Å; F873-F1076 HydrophobicContact CD1-CZ 4.47Å; F873-F1076 HydrophobicContact CD2-CD2 4.07Å; F873-F1076 AromaticContact CD2-CE2 3.38Å; F873-F1076 HydrophobicContact CD2-CE2 3.38Å; F873-F1076 HydrophobicContact CD2-CZ 4.14Å; F873-F1076 HydrophobicContact CE1-CE2 4.16Å; F873-F1076 AromaticContact CE1-CZ 3.95Å; F873-F1076 HydrophobicContact CE1-CZ 3.95Å; F873-F1076 AromaticContact CE2-CD2 3.76Å; F873-F1076 HydrophobicContact CE2-CD2 3.76Å; F873-F1076 AromaticContact CE2-CE2 3.11Å; F873-F1076 HydrophobicContact CE2-CE2 3.11Å; F873-F1076 AromaticContact CE2-CZ 3.56Å; F873-F1076 HydrophobicContact CE2-CZ 3.56Å; F873-F1076 AromaticContact CG-CE2 3.98Å; F873-F1076 HydrophobicContact CG-CE2 3.98Å; F873-F1076 HydrophobicContact CZ-CD2 4.45Å; F873-F1076 HydrophobicContact CZ-CE1 4.32Å; F873-F1076 AromaticContact CZ-CE2 3.53Å; F873-F1076 HydrophobicContact CZ-CE2 3.53Å; F873-F1076 AromaticContact CZ-CZ 3.43Å; F873-F1076 HydrophobicContact CZ-CZ 3.43Å; F873-F1076 VanDerWaalsContact CZ-CZ 3.43Å |
| 874 | F | 76.1 | Confident | 73.7 | Confident | 53 Ų | 53 | 36.5 Ų | 36.5 | 23% | 0.232 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -57.8 | 134.1 | 169.7 | -166 | -107.2 | 0 | 0 | 0 | 109.2 | D682 R811 R876 G1021 F1022 | D682-F874 PolarHBondContact OD2-N 2.7Å; R811-F874 VanDerWaalsContact NH2-CE2 3.34Å; F874-R876 PolarHBondContact O-N 2.54Å; F874-R876 PolarHBondContact O-NH1 3.21Å; F874-R876 VanDerWaalsContact O-NH1 3.12Å; F874-G1021 VanDerWaalsContact CD2-C 3.42Å; F874-G1021 WeakPolarHBondContact CD2-O 3.28Å; F874-G1021 WeakPolarHBondContact CE2-O 3.42Å; F874-G1021 WeakPolarHBondContact CG-O 2.97Å; F874-F1022 HydrophobicContact CB-CD1 4.47Å; F874-F1022 HydrophobicContact CB-CE1 4.27Å; F874-F1022 HydrophobicContact CD2-CE1 4.38Å; F874-F1022 HydrophobicContact CD2-CE2 4.46Å; F874-F1022 HydrophobicContact CD2-CZ 4.35Å |
| 875 | Y | 83.4 | Confident | 75.1 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 4% | 0.043 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 122.6 | 177.9 | 178.5 | -106.2 | 0 | 0 | 0 | 109.5 | F873 V877 F881 P953 F1018 G1021 | F873-Y875 PolarHBondContact O-N 3.35Å; Y875-V877 HydrophobicContact CE1-CB 4.42Å; Y875-F881 HydrophobicContact CE2-CB 4.49Å; Y875-F881 AromaticContact CE2-CD1 3.78Å; Y875-F881 HydrophobicContact CE2-CD1 3.78Å; Y875-P953 VanDerWaalsContact CE1-O 3.26Å; Y875-P953 WeakPolarHBondContact CE1-O 3.07Å; Y875-P953 WeakPolarHBondContact OH-CD 3.3Å; Y875-P953 PolarHBondContact OH-O 3.18Å; Y875-F1018 HydrophobicContact CD1-CD1 4.2Å; Y875-F1018 AromaticContact CD1-CE1 3.4Å; Y875-F1018 HydrophobicContact CD1-CE1 3.4Å; Y875-F1018 HydrophobicContact CD1-CE2 4.47Å; Y875-F1018 AromaticContact CD1-CZ 3.54Å; Y875-F1018 HydrophobicContact CD1-CZ 3.54Å; Y875-F1018 HydrophobicContact CD2-CD1 4.49Å; Y875-F1018 AromaticContact CD2-CE1 3.5Å; Y875-F1018 HydrophobicContact CD2-CE1 3.5Å; Y875-F1018 HydrophobicContact CD2-CZ 4.09Å; Y875-F1018 AromaticContact CE1-CE1 3.87Å; Y875-F1018 HydrophobicContact CE1-CE1 3.87Å; Y875-F1018 HydrophobicContact CE1-CE2 4.48Å; Y875-F1018 AromaticContact CE1-CZ 3.55Å; Y875-F1018 HydrophobicContact CE1-CZ 3.55Å; Y875-F1018 AromaticContact CE2-CE1 3.96Å; Y875-F1018 HydrophobicContact CE2-CE1 3.96Å; Y875-F1018 HydrophobicContact CE2-CZ 4.11Å; Y875-F1018 AromaticContact CG-CD1 3.92Å; Y875-F1018 HydrophobicContact CG-CD1 3.92Å; Y875-F1018 AromaticContact CG-CE1 3.18Å; Y875-F1018 HydrophobicContact CG-CE1 3.18Å; Y875-F1018 AromaticContact CG-CZ 3.81Å; Y875-F1018 HydrophobicContact CG-CZ 3.81Å; Y875-F1018 AromaticContact CZ-CZ 3.84Å; Y875-G1021 WeakPolarHBondContact CB-O 3.17Å; Y875-G1021 PolarHBondContact N-O 3.23Å |
| 876 | R | 83 | Confident | 76.1 | Confident | 27 Ų | 27 | 35.2 Ų | 35.2 | 10% | 0.102 | 18% | 0.182 | C | C | . | . | trans | -112.1 | 121.4 | 174.7 | -67.9 | 178 | -169.9 | 75.6 | 3.7 | 108 | D682 D808 F874 N878 D879 G880 | D682-R876 IonicContact OD1-NH2 3.2Å; D682-R876 IonicContact OD2-CZ 2.74Å; D682-R876 IonicContact OD2-NH1 3.08Å; D682-R876 IonicContact OD2-NH2 2.79Å; D682-R876 PolarHBondContact OD2-NH2 3.08Å; D808-R876 IonicContact OD1-NE 3.44Å; D808-R876 IonicContact OD2-CZ 2.64Å; D808-R876 IonicContact OD2-NE 3.94Å; D808-R876 PolarHBondContact OD2-NE 3.47Å; D808-R876 IonicContact OD2-NH2 3.25Å; D808-R876 PolarHBondContact OD2-NH2 2.75Å; F874-R876 PolarHBondContact O-N 2.54Å; F874-R876 PolarHBondContact O-NH1 3.21Å; F874-R876 VanDerWaalsContact O-NH1 3.12Å; R876-N878 PolarHBondContact O-N 3.06Å; R876-D879 HydrophobicContact CB-CB 4.31Å; R876-D879 WeakPolarHBondContact CB-OD2 3.01Å; R876-D879 PolarHBondContact O-N 3.25Å; R876-G880 PolarHBondContact O-N 3.4Å | ||
| 877 | V | 86 | Confident | 77 | Confident | 37 Ų | 37 | 33 Ų | 33 | 22% | 0.224 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32 | -176.9 | 67.7 | 0 | 0 | 0 | 0 | 112.8 | Y875 D879 F922 Y954 | Y875-V877 HydrophobicContact CE1-CB 4.42Å; V877-D879 VanDerWaalsContact C-N 3.32Å; V877-D879 PolarHBondContact O-N 3.18Å; V877-F922 HydrophobicContact CG2-CB 3.75Å; V877-F922 HydrophobicContact CG2-CD1 4.36Å; V877-F922 HydrophobicContact CG2-CD2 3.57Å; V877-F922 HydrophobicContact CG2-CE2 4.26Å; V877-F922 HydrophobicContact CG2-CG 3.65Å; V877-Y954 HydrophobicContact CG2-CD1 4.4Å |
| 878 | N | 83.4 | Confident | 78.3 | Confident | 96 Ų | 96 | 31.7 Ų | 31.7 | 51% | 0.513 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -33.5 | 177.9 | -69 | -14.4 | 0 | 0 | 0 | 112.5 | R876 F922 K952 | R876-N878 PolarHBondContact O-N 3.06Å; N878-F922 WeakPolarHBondContact OD1-CE1 3.44Å; N878-K952 WeakPolarHBondContact O-CE 3.38Å; N878-K952 PolarHBondContact O-NZ 2.94Å |
| 879 | D | 84.3 | Confident | 79.8 | Confident | 33 Ų | 33 | 31.5 Ų | 31.5 | 18% | 0.176 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -52.3 | -179.3 | -59.1 | -25 | 0 | 0 | 0 | 109.1 | R876 V877 K952 A1074 R1075 | R876-D879 HydrophobicContact CB-CB 4.31Å; R876-D879 WeakPolarHBondContact CB-OD2 3.01Å; R876-D879 PolarHBondContact O-N 3.25Å; V877-D879 VanDerWaalsContact C-N 3.32Å; V877-D879 PolarHBondContact O-N 3.18Å; D879-K952 WeakPolarHBondContact O-CE 3.34Å; D879-A1074 WeakPolarHBondContact O-CB 3.47Å; D879-R1075 HydrophobicContact CB-CB 4.1Å; D879-R1075 IonicContact OD1-CZ 2.76Å; D879-R1075 IonicContact OD1-NH1 3.95Å; D879-R1075 PolarHBondContact OD1-NH1 2.87Å; D879-R1075 WeakPolarHBondContact OD2-CD 3.09Å; D879-R1075 IonicContact OD2-CZ 2.64Å; D879-R1075 IonicContact OD2-NE 2.8Å; D879-R1075 IonicContact OD2-NH1 2.76Å; D879-R1075 PolarHBondContact OD2-NH1 2.79Å |
| 880 | G | 87.9 | Confident | 81.3 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | trans | 81.1 | -167.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R876 T951 A1074 | R876-G880 PolarHBondContact O-N 3.4Å; G880-T951 WeakPolarHBondContact CA-O 3.25Å; G880-A1074 PolarHBondContact O-N 3.11Å | ||
| 881 | F | 88.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 156.6 | 175.4 | 72.1 | -98.6 | 0 | 0 | 0 | 111.7 | Y875 L883 V905 T951 P953 L1017 L1023 L1071 Q1072 | Y875-F881 HydrophobicContact CE2-CB 4.49Å; Y875-F881 AromaticContact CE2-CD1 3.78Å; Y875-F881 HydrophobicContact CE2-CD1 3.78Å; F881-L883 HydrophobicContact CE2-CB 4.32Å; F881-V905 HydrophobicContact CZ-CG2 4.15Å; F881-T951 HydrophobicContact CD1-CG2 4.21Å; F881-T951 HydrophobicContact CD2-CG2 4.06Å; F881-T951 HydrophobicContact CE1-CG2 3.72Å; F881-T951 HydrophobicContact CE2-CG2 3.53Å; F881-T951 HydrophobicContact CG-CG2 4.36Å; F881-T951 HydrophobicContact CZ-CG2 3.33Å; F881-T951 PolarHBondContact N-O 3.48Å; F881-T951 PolarHBondContact O-N 2.47Å; F881-P953 HydrophobicContact CD1-CG 4.36Å; F881-P953 HydrophobicContact CE1-CG 3.6Å; F881-P953 HydrophobicContact CZ-CG 4.43Å; F881-L1017 HydrophobicContact CE1-CD1 4.25Å; F881-L1017 HydrophobicContact CE1-CD2 4.07Å; F881-L1017 HydrophobicContact CE2-CD2 4.25Å; F881-L1017 HydrophobicContact CZ-CD1 4.14Å; F881-L1017 HydrophobicContact CZ-CD2 3.63Å; F881-L1023 HydrophobicContact CB-CD1 4.26Å; F881-L1023 HydrophobicContact CB-CD2 3.47Å; F881-L1023 VanDerWaalsContact CB-CD2 3.47Å; F881-L1023 HydrophobicContact CD1-CD1 3.85Å; F881-L1023 HydrophobicContact CD2-CD1 4.48Å; F881-L1023 HydrophobicContact CE1-CD1 4.28Å; F881-L1023 HydrophobicContact CG-CD1 3.97Å; F881-L1023 HydrophobicContact CG-CD2 4.06Å; F881-L1071 HydrophobicContact CD2-CD2 3.81Å; F881-L1071 HydrophobicContact CE2-CD2 3.69Å; F881-Q1072 CarbonylContact C-O 3.27Å; F881-Q1072 VanDerWaalsContact CA-O 3.28Å; F881-Q1072 WeakPolarHBondContact CA-O 3.35Å; F881-Q1072 WeakPolarHBondContact CB-O 2.97Å |
| 882 | L | 88.9 | Confident | 84.5 | Confident | 12 Ų | 12 | 31.4 Ų | 31.4 | 6% | 0.063 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 134 | 174 | -59.6 | 165.1 | 0 | 0 | 0 | 109.5 | P948 Q949 L950 L1071 Q1072 A1074 L1077 | L882-P948 HydrophobicContact CB-CB 3.95Å; L882-P948 HydrophobicContact CD1-CB 4.45Å; L882-P948 HydrophobicContact CD2-CB 4.39Å; L882-P948 HydrophobicContact CG-CB 4.49Å; L882-Q949 WeakPolarHBondContact CA-O 2.98Å; L882-L950 HydrophobicContact CD2-CB 3.92Å; L882-L950 HydrophobicContact CD2-CD1 4.21Å; L882-L1071 WeakPolarHBondContact O-CA 3.36Å; L882-Q1072 HydrophobicContact CB-CB 4.34Å; L882-Q1072 PolarHBondContact N-O 3.2Å; L882-Q1072 PolarHBondContact O-N 3.17Å; L882-A1074 HydrophobicContact CG-CB 4.18Å; L882-L1077 HydrophobicContact CD1-CD2 3.26Å; L882-L1077 HydrophobicContact CD1-CG 3.93Å; L882-L1077 HydrophobicContact CD2-CD2 4.08Å; L882-L1077 HydrophobicContact CG-CD2 4.2Å |
| 883 | L | 91.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.3 | 169.5 | 176 | 64.8 | 0 | 0 | 0 | 109.2 | F881 A903 L928 F930 P948 Q949 L961 I1069 L1071 | F881-L883 HydrophobicContact CE2-CB 4.32Å; L883-A903 HydrophobicContact CD2-CB 3.35Å; L883-L928 HydrophobicContact CB-CD1 4.32Å; L883-L928 HydrophobicContact CD2-CD1 3.85Å; L883-F930 HydrophobicContact CB-CZ 4.32Å; L883-F930 HydrophobicContact CD2-CE2 4Å; L883-F930 HydrophobicContact CD2-CZ 4.13Å; L883-F930 HydrophobicContact CG-CE2 4.32Å; L883-F930 HydrophobicContact CG-CZ 3.96Å; L883-F930 WeakPolarHBondContact O-CE1 3.39Å; L883-F930 WeakPolarHBondContact O-CZ 3.5Å; L883-P948 WeakPolarHBondContact O-CA 3.44Å; L883-Q949 PolarHBondContact N-O 3.23Å; L883-Q949 PolarHBondContact O-N 3.15Å; L883-L961 HydrophobicContact CD1-CD2 3.96Å; L883-L961 HydrophobicContact CD2-CD1 4.08Å; L883-L961 HydrophobicContact CD2-CD2 4.21Å; L883-I1069 HydrophobicContact CD1-CB 4.23Å; L883-I1069 HydrophobicContact CD1-CD1 4.19Å; L883-L1071 HydrophobicContact CB-CD2 4.34Å; L883-L1071 HydrophobicContact CD1-CD2 3.61Å |
| 884 | S | 91.1 | Very high | 86.3 | Confident | 8 Ų | 8 | 36.6 Ų | 36.6 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 127.3 | 167.6 | 171.1 | 0 | 0 | 0 | 0 | 108.4 | K886 I1069 Q1070 | S884-K886 PolarHBondContact OG-NZ 2.85Å; S884-I1069 CarbonylContact O-C 3.41Å; S884-I1069 WeakPolarHBondContact O-CA 3.2Å; S884-Q1070 PolarHBondContact N-O 3.32Å; S884-Q1070 PolarHBondContact O-N 2.84Å |
| 885 | L | 92.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 130.7 | 160.1 | -92.3 | 120 | 0 | 0 | 0 | 107.9 | F930 W944 I963 L1067 I1069 | L885-F930 HydrophobicContact CB-CB 4.35Å; L885-F930 HydrophobicContact CB-CD1 4.04Å; L885-F930 HydrophobicContact CB-CG 4.13Å; L885-F930 HydrophobicContact CD1-CB 3.81Å; L885-F930 HydrophobicContact CD1-CD1 3.97Å; L885-F930 HydrophobicContact CD1-CD2 3.15Å; L885-F930 HydrophobicContact CD1-CE1 4.35Å; L885-F930 HydrophobicContact CD1-CE2 3.58Å; L885-F930 HydrophobicContact CD1-CG 3.36Å; L885-F930 HydrophobicContact CD1-CZ 4.16Å; L885-F930 HydrophobicContact CG-CD2 4.46Å; L885-F930 HydrophobicContact CG-CG 4.33Å; L885-W944 HydrophobicContact CB-CB 4.26Å; L885-W944 HydrophobicContact CB-CD2 4.09Å; L885-W944 HydrophobicContact CB-CE3 4.26Å; L885-W944 HydrophobicContact CB-CG 4.09Å; L885-W944 HydrophobicContact CD2-CD2 4.41Å; L885-W944 HydrophobicContact CD2-CE3 4.28Å; L885-W944 HydrophobicContact CD2-CH2 4.3Å; L885-W944 HydrophobicContact CD2-CZ2 4.43Å; L885-W944 HydrophobicContact CD2-CZ3 4.2Å; L885-W944 VanDerWaalsContact O-CB 3.3Å; L885-W944 WeakPolarHBondContact O-CB 3.14Å; L885-I963 HydrophobicContact CD1-CG2 4.25Å; L885-I963 HydrophobicContact CD2-CG2 4.23Å; L885-L1067 HydrophobicContact CD2-CD1 3.53Å; L885-L1067 HydrophobicContact CD2-CD2 4.28Å; L885-L1067 HydrophobicContact CD2-CG 4.26Å; L885-I1069 HydrophobicContact CD2-CG2 4.48Å; L885-I1069 HydrophobicContact CG-CG2 4.2Å |
| 886 | K | 91.8 | Very high | 85.6 | Confident | 76 Ų | 76 | 37 Ų | 37 | 33% | 0.33 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -64.3 | -178.7 | -68.3 | -60.9 | -172.9 | -167.9 | 0 | 111.1 | S884 K943 W944 T1068 Q1070 | S884-K886 PolarHBondContact OG-NZ 2.85Å; K886-K943 CarbonylContact O-C 3.57Å; K886-K943 WeakPolarHBondContact O-CA 3.14Å; K886-W944 PolarHBondContact O-N 2.9Å; K886-T1068 HydrophobicContact CB-CG2 4.17Å; K886-T1068 PolarHBondContact N-O 3.2Å; K886-Q1070 HydrophobicContact CG-CB 4.28Å |
| 887 | D | 92.3 | Very high | 85.7 | Confident | 42 Ų | 42 | 35.9 Ų | 35.9 | 23% | 0.225 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 163.5 | -179.7 | 71.3 | 12.9 | 0 | 0 | 0 | 112 | P942 T1068 | D887-P942 VanDerWaalsContact CA-O 3.28Å; D887-P942 WeakPolarHBondContact CA-O 3.01Å; D887-T1068 PolarHBondContact N-O 2.9Å; D887-T1068 PolarHBondContact O-N 3.12Å; D887-T1068 WeakPolarHBondContact OD1-CB 3.49Å; D887-T1068 PolarHBondContact OD1-OG1 2.85Å |
| 888 | A | 91.2 | Very high | 85.8 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108 | L891 N941 P942 W944 I965 S1066 L1067 | A888-L891 HydrophobicContact CB-CD1 3.91Å; A888-L891 HydrophobicContact CB-CD2 4.47Å; A888-L891 HydrophobicContact CB-CG 4.2Å; A888-N941 CarbonylContact O-C 3.6Å; A888-N941 WeakPolarHBondContact O-CA 3.46Å; A888-P942 HydrophobicContact CB-CG 4.14Å; A888-P942 PolarHBondContact N-O 3.04Å; A888-P942 WeakPolarHBondContact O-CD 3.19Å; A888-W944 HydrophobicContact CB-CH2 3.7Å; A888-W944 HydrophobicContact CB-CZ3 3.56Å; A888-I965 HydrophobicContact CB-CD1 4.43Å; A888-S1066 CarbonylContact C-O 3.59Å; A888-S1066 VanDerWaalsContact CA-O 3.25Å; A888-S1066 WeakPolarHBondContact CA-O 3.3Å; A888-L1067 HydrophobicContact CB-CD1 3.91Å |
| 889 | K | 88.6 | Confident | 86.2 | Confident | 102 Ų | 102 | 29.6 Ų | 29.6 | 44% | 0.443 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 146.5 | 178.1 | -61.3 | -174.1 | -179.2 | -174.7 | 0 | 110 | N941 A1065 S1066 | K889-N941 VanDerWaalsContact CA-OD1 3.29Å; K889-N941 WeakPolarHBondContact CA-OD1 3.39Å; K889-A1065 WeakPolarHBondContact O-CA 3.18Å; K889-A1065 WeakPolarHBondContact O-CB 3.49Å; K889-S1066 PolarHBondContact N-O 3.39Å; K889-S1066 PolarHBondContact O-N 3.08Å |
| 890 | G | 83.4 | Confident | 86.6 | Confident | 31 Ų | 31 | 28 Ų | 28 | 32% | 0.32 | 15% | 0.146 | S | C | . | . | S | Bend | trans | 72.5 | 31.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E940 N941 | G890-E940 PolarHBondContact N-O 2.84Å; G890-N941 PolarHBondContact N-OD1 3.04Å |
| 891 | L | 86.8 | Confident | 86.8 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | trans | -78.6 | 141.7 | 174.6 | -58 | 179.9 | 0 | 0 | 0 | 110.9 | A888 V893 I899 E940 P942 I965 I1010 L1032 | A888-L891 HydrophobicContact CB-CD1 3.91Å; A888-L891 HydrophobicContact CB-CD2 4.47Å; A888-L891 HydrophobicContact CB-CG 4.2Å; L891-V893 HydrophobicContact CB-CG2 4.13Å; L891-V893 PolarHBondContact O-N 2.76Å; L891-I899 HydrophobicContact CB-CD1 4.24Å; L891-I899 HydrophobicContact CD1-CD1 3.7Å; L891-I899 HydrophobicContact CD1-CG2 4.13Å; L891-E940 WeakPolarHBondContact CB-O 3.49Å; L891-E940 PolarHBondContact N-O 3.29Å; L891-E940 WeakPolarHBondContact O-CB 3.09Å; L891-E940 WeakPolarHBondContact O-CG 3.07Å; L891-P942 HydrophobicContact CD1-CG 3.81Å; L891-I965 HydrophobicContact CD1-CG2 4.14Å; L891-I965 HydrophobicContact CD2-CD1 4.26Å; L891-I965 HydrophobicContact CD2-CG2 4.49Å; L891-I1010 HydrophobicContact CB-CD1 4.32Å; L891-I1010 HydrophobicContact CD1-CD1 4.47Å; L891-I1010 HydrophobicContact CD2-CD1 4.03Å; L891-L1032 HydrophobicContact CD2-CD1 3.61Å | ||
| 892 | T | 81.8 | Confident | 87 | Confident | 83 Ų | 83 | 28.1 Ų | 28.1 | 51% | 0.509 | 15% | 0.146 | S | C | . | . | trans | -89.2 | 105.1 | 179.1 | 57 | 0 | 0 | 0 | 0 | 111.7 | R967 | T892-R967 VanDerWaalsContact O-CD 3.3Å; T892-R967 WeakPolarHBondContact O-CD 3.38Å; T892-R967 PolarHBondContact O-NH1 3.25Å; T892-R967 VanDerWaalsContact O-NH1 3.09Å | ||
| 893 | V | 81.5 | Confident | 87.1 | Confident | 14 Ų | 14 | 27.6 Ų | 27.6 | 9% | 0.085 | 14% | 0.143 | C | C | . | . | trans | -125.8 | 151 | -171.2 | -166.3 | 0 | 0 | 0 | 0 | 110.8 | L891 D897 I899 L939 E940 | L891-V893 HydrophobicContact CB-CG2 4.13Å; L891-V893 PolarHBondContact O-N 2.76Å; V893-D897 HydrophobicContact CG1-CB 3.66Å; V893-I899 HydrophobicContact CG1-CD1 4.37Å; V893-I899 HydrophobicContact CG2-CD1 3.3Å; V893-I899 HydrophobicContact CG2-CG1 4.38Å; V893-L939 HydrophobicContact CG1-CB 3.89Å; V893-L939 HydrophobicContact CG2-CB 4.46Å; V893-E940 HydrophobicContact CB-CG 3.83Å; V893-E940 HydrophobicContact CG2-CB 4.45Å; V893-E940 HydrophobicContact CG2-CG 3.92Å | ||
| 894 | K | 78.8 | Confident | 87 | Confident | 136 Ų | 136 | 28.4 Ų | 28.4 | 59% | 0.591 | 15% | 0.147 | S | C | * | . | trans | -117.7 | 159 | 170.1 | -61.8 | -175.8 | 177.2 | -172.5 | 0 | 110.4 | G896 D897 | K894-G896 PolarHBondContact O-N 3.21Å; K894-D897 WeakPolarHBondContact CB-OD2 3.37Å; K894-D897 PolarHBondContact N-OD2 3.36Å; K894-D897 WeakPolarHBondContact O-CB 3.48Å; K894-D897 PolarHBondContact O-N 2.73Å | ||
| 895 | E | 71.5 | Confident | 86.9 | Confident | 68 Ų | 68 | 28.6 Ų | 28.6 | 32% | 0.318 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 120.9 | 165.3 | -63.7 | 176.9 | 157.5 | 0 | 0 | 109 | F987 R1117 T1118 | E895-F987 VanDerWaalsContact OE2-CE2 3.3Å; E895-F987 WeakPolarHBondContact OE2-CE2 3.46Å; E895-R1117 HydrophobicContact CG-CB 4.31Å; E895-R1117 WeakPolarHBondContact OE1-CB 3.46Å; E895-R1117 WeakPolarHBondContact OE1-CD 3.29Å; E895-T1118 HydrophobicContact CG-CG2 3.75Å |
| 896 | G | 73.4 | Confident | 86.5 | Confident | 6 Ų | 6 | 29.4 Ų | 29.4 | 6% | 0.062 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 122.8 | -37.9 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K894 L970 W986 | K894-G896 PolarHBondContact O-N 3.21Å; G896-L970 PolarHBondContact O-N 3.47Å; G896-W986 VanDerWaalsContact CA-CE3 3.45Å |
| 897 | D | 84.5 | Confident | 86.2 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 145.3 | -163.4 | -68.6 | -23.9 | 0 | 0 | 0 | 111 | V893 K894 L939 R967 P969 | V893-D897 HydrophobicContact CG1-CB 3.66Å; K894-D897 WeakPolarHBondContact CB-OD2 3.37Å; K894-D897 PolarHBondContact N-OD2 3.36Å; K894-D897 WeakPolarHBondContact O-CB 3.48Å; K894-D897 PolarHBondContact O-N 2.73Å; D897-L939 WeakPolarHBondContact O-CD1 3.42Å; D897-R967 HydrophobicContact CB-CG 3.65Å; D897-R967 WeakPolarHBondContact OD2-CD 3.27Å; D897-R967 IonicContact OD2-CZ 3.87Å; D897-R967 IonicContact OD2-NE 3.27Å; D897-R967 PolarHBondContact OD2-NE 3.14Å; D897-P969 WeakPolarHBondContact OD1-CA 3.41Å; D897-P969 WeakPolarHBondContact OD1-CB 3.43Å |
| 898 | Y | 88.3 | Confident | 85.7 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 145 | 169.5 | -171 | -100.4 | 0 | 0 | 0 | 110 | F900 D931 F933 R967 V968 L970 L1120 M1123 Y1146 I1149 L1153 | Y898-F900 HydrophobicContact CE1-CB 4.41Å; Y898-D931 HydrophobicContact CE1-CB 4.25Å; Y898-D931 PolarHBondContact OH-O 3.19Å; Y898-F933 HydrophobicContact CD2-CE1 4.39Å; Y898-F933 AromaticContact CD2-CZ 3.9Å; Y898-F933 HydrophobicContact CD2-CZ 3.9Å; Y898-F933 HydrophobicContact CE1-CE1 4.2Å; Y898-F933 AromaticContact CE2-CE1 3.71Å; Y898-F933 HydrophobicContact CE2-CE1 3.71Å; Y898-F933 HydrophobicContact CE2-CE2 4.49Å; Y898-F933 AromaticContact CE2-CZ 3.37Å; Y898-F933 HydrophobicContact CE2-CZ 3.37Å; Y898-F933 AromaticContact CZ-CE1 3.6Å; Y898-F933 AromaticContact CZ-CZ 3.8Å; Y898-R967 CarbonylContact O-C 3.38Å; Y898-R967 WeakPolarHBondContact O-CA 3.23Å; Y898-V968 PolarHBondContact N-O 2.84Å; Y898-V968 PolarHBondContact O-N 3.14Å; Y898-L970 HydrophobicContact CD2-CD1 4.49Å; Y898-L970 HydrophobicContact CG-CD1 4Å; Y898-L1120 HydrophobicContact CD2-CD1 4.29Å; Y898-L1120 HydrophobicContact CE2-CD1 3.93Å; Y898-M1123 HydrophobicContact CD2-CE 3.88Å; Y898-Y1146 HydrophobicContact CE2-CE1 4.41Å; Y898-Y1146 VanDerWaalsContact OH-CD1 3.27Å; Y898-Y1146 WeakPolarHBondContact OH-CD1 3.36Å; Y898-Y1146 VanDerWaalsContact OH-CE1 3.27Å; Y898-Y1146 WeakPolarHBondContact OH-CE1 3.15Å; Y898-I1149 HydrophobicContact CD1-CG2 3.83Å; Y898-I1149 HydrophobicContact CD2-CD1 3.83Å; Y898-I1149 HydrophobicContact CE1-CG2 3.45Å; Y898-I1149 VanDerWaalsContact CE1-CG2 3.45Å; Y898-I1149 HydrophobicContact CE2-CD1 3.6Å; Y898-I1149 HydrophobicContact CE2-CG2 4.33Å; Y898-I1149 HydrophobicContact CG-CD1 4.32Å; Y898-I1149 HydrophobicContact CG-CG2 4.41Å; Y898-L1153 HydrophobicContact CD1-CD1 4.5Å; Y898-L1153 HydrophobicContact CE1-CD1 4.14Å |
| 899 | I | 91.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 139.9 | 179.2 | -72.4 | 163.1 | 0 | 0 | 0 | 110.7 | L891 V893 F933 L939 P942 W944 I965 F966 | L891-I899 HydrophobicContact CB-CD1 4.24Å; L891-I899 HydrophobicContact CD1-CD1 3.7Å; L891-I899 HydrophobicContact CD1-CG2 4.13Å; V893-I899 HydrophobicContact CG1-CD1 4.37Å; V893-I899 HydrophobicContact CG2-CD1 3.3Å; V893-I899 HydrophobicContact CG2-CG1 4.38Å; I899-F933 WeakPolarHBondContact O-CE1 3.38Å; I899-L939 HydrophobicContact CD1-CB 4.32Å; I899-L939 WeakPolarHBondContact CD1-O 3.43Å; I899-P942 HydrophobicContact CG2-CG 4.49Å; I899-W944 HydrophobicContact CG2-CZ2 4.14Å; I899-I965 HydrophobicContact CG2-CG2 3.75Å; I899-F966 VanDerWaalsContact CA-O 3.27Å; I899-F966 WeakPolarHBondContact CA-O 3.34Å |
| 900 | F | 93.1 | Very high | 85 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 153.4 | 166.5 | 69.2 | -88.6 | 0 | 0 | 0 | 110.7 | Y898 L902 L929 F930 D931 F966 V968 L1004 L1153 | Y898-F900 HydrophobicContact CE1-CB 4.41Å; F900-L902 HydrophobicContact CE2-CB 4.46Å; F900-L929 HydrophobicContact CB-CD1 4.41Å; F900-L929 HydrophobicContact CD2-CD1 3.55Å; F900-L929 HydrophobicContact CE2-CD1 4.16Å; F900-L929 HydrophobicContact CG-CD1 4.27Å; F900-F930 WeakPolarHBondContact CA-O 3.04Å; F900-D931 HydrophobicContact CB-CB 3.88Å; F900-F966 HydrophobicContact CD1-CB 3.83Å; F900-F966 HydrophobicContact CD2-CB 4.29Å; F900-F966 HydrophobicContact CD2-CD2 4.13Å; F900-F966 HydrophobicContact CE1-CB 3.37Å; F900-F966 HydrophobicContact CE1-CD2 4.44Å; F900-F966 HydrophobicContact CE1-CG 4.04Å; F900-F966 HydrophobicContact CE2-CB 3.87Å; F900-F966 AromaticContact CE2-CD2 3.41Å; F900-F966 HydrophobicContact CE2-CD2 3.41Å; F900-F966 VanDerWaalsContact CE2-CD2 3.41Å; F900-F966 HydrophobicContact CE2-CE2 4.21Å; F900-F966 AromaticContact CE2-CG 3.84Å; F900-F966 HydrophobicContact CE2-CG 3.84Å; F900-F966 HydrophobicContact CG-CB 4.28Å; F900-F966 HydrophobicContact CZ-CB 3.39Å; F900-F966 HydrophobicContact CZ-CD1 4.36Å; F900-F966 AromaticContact CZ-CD2 3.6Å; F900-F966 HydrophobicContact CZ-CD2 3.6Å; F900-F966 HydrophobicContact CZ-CE2 4.48Å; F900-F966 AromaticContact CZ-CG 3.52Å; F900-F966 HydrophobicContact CZ-CG 3.52Å; F900-F966 PolarHBondContact N-O 2.98Å; F900-F966 PolarHBondContact O-N 3.23Å; F900-V968 HydrophobicContact CD1-CG2 4.35Å; F900-V968 HydrophobicContact CE1-CG2 3.64Å; F900-L1004 HydrophobicContact CE1-CD1 4.42Å; F900-L1004 HydrophobicContact CZ-CD1 4.19Å; F900-L1004 HydrophobicContact CZ-CD2 4.2Å; F900-L1153 HydrophobicContact CB-CD1 4Å; F900-L1153 HydrophobicContact CD1-CD1 3.72Å; F900-L1153 HydrophobicContact CD1-CD2 3.73Å; F900-L1153 HydrophobicContact CD1-CG 4.4Å; F900-L1153 HydrophobicContact CD2-CD1 4.46Å; F900-L1153 HydrophobicContact CE1-CD1 4.27Å; F900-L1153 HydrophobicContact CE1-CD2 3.44Å; F900-L1153 VanDerWaalsContact CE1-CD2 3.44Å; F900-L1153 HydrophobicContact CG-CD1 3.82Å; F900-L1153 HydrophobicContact CG-CD2 4.47Å; F900-L1153 HydrophobicContact CZ-CD2 4Å |
| 901 | G | 92.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 137.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | F930 Q964 | G901-F930 PolarHBondContact N-O 3.49Å; G901-F930 PolarHBondContact O-N 3.22Å; G901-Q964 CarbonylContact C-O 3.49Å; G901-Q964 WeakPolarHBondContact CA-O 3.46Å |
| 902 | L | 91.8 | Very high | 84.7 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 113.3 | 171 | -177.2 | 70.3 | 0 | 0 | 0 | 108.5 | F900 D927 L928 Q964 F966 L1157 L1169 | F900-L902 HydrophobicContact CE2-CB 4.46Å; L902-D927 HydrophobicContact CD1-CB 4.01Å; L902-L928 WeakPolarHBondContact CA-O 3.26Å; L902-Q964 HydrophobicContact CB-CB 4.39Å; L902-Q964 PolarHBondContact N-O 2.81Å; L902-Q964 PolarHBondContact O-N 2.69Å; L902-F966 HydrophobicContact CB-CD2 4.33Å; L902-F966 HydrophobicContact CB-CE2 4Å; L902-F966 HydrophobicContact CD2-CE2 4.17Å; L902-L1157 HydrophobicContact CD1-CD1 4.18Å; L902-L1157 HydrophobicContact CD2-CD2 4.04Å; L902-L1169 HydrophobicContact CD2-CB 4.49Å; L902-L1169 HydrophobicContact CD2-CD1 4.43Å |
| 903 | A | 91.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 143.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | L883 L928 F930 L961 I962 I963 | L883-A903 HydrophobicContact CD2-CB 3.35Å; A903-L928 HydrophobicContact CB-CB 4.1Å; A903-L928 HydrophobicContact CB-CD1 4.49Å; A903-L928 PolarHBondContact N-O 3.34Å; A903-L928 WeakPolarHBondContact O-CB 3.49Å; A903-L928 PolarHBondContact O-N 3.05Å; A903-F930 HydrophobicContact CB-CE2 4.17Å; A903-L961 HydrophobicContact CB-CD1 4.32Å; A903-I962 CarbonylContact C-O 3.37Å; A903-I962 VanDerWaalsContact CA-O 3.28Å; A903-I962 WeakPolarHBondContact CA-O 3.48Å; A903-I963 HydrophobicContact CB-CG1 4Å; A903-I963 HydrophobicContact CB-CG2 4.49Å |
| 904 | K | 88.6 | Confident | 84.6 | Confident | 18 Ų | 18 | 36.2 Ų | 36.2 | 8% | 0.078 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 141.6 | -177.7 | -168.9 | 164.8 | -163.6 | 140.5 | 0 | 112.1 | D927 I962 E1165 | K904-D927 WeakPolarHBondContact CD-OD1 3.09Å; K904-D927 WeakPolarHBondContact CE-OD1 3.23Å; K904-D927 IonicContact NZ-OD1 3.72Å; K904-D927 PolarHBondContact NZ-OD1 2.97Å; K904-I962 PolarHBondContact N-O 3.14Å; K904-I962 PolarHBondContact O-N 3.49Å; K904-E1165 WeakPolarHBondContact CE-O 3.25Å; K904-E1165 PolarHBondContact NZ-O 3.49Å |
| 905 | V | 88.8 | Confident | 84.7 | Confident | 11 Ų | 11 | 34.7 Ų | 34.7 | 7% | 0.067 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 119.8 | 175 | -177 | 0 | 0 | 0 | 0 | 110.3 | F881 T951 P953 L960 L961 L1017 | F881-V905 HydrophobicContact CZ-CG2 4.15Å; V905-T951 HydrophobicContact CG2-CG2 4.44Å; V905-P953 HydrophobicContact CB-CB 4.32Å; V905-P953 HydrophobicContact CG1-CB 3.78Å; V905-P953 HydrophobicContact CG1-CG 4.11Å; V905-P953 HydrophobicContact CG2-CG 4.3Å; V905-L960 WeakPolarHBondContact CA-O 3.4Å; V905-L961 HydrophobicContact CG2-CD1 4.1Å; V905-L1017 HydrophobicContact CB-CD1 4.2Å; V905-L1017 HydrophobicContact CG1-CD1 3.42Å; V905-L1017 VanDerWaalsContact CG1-CD1 3.42Å; V905-L1017 HydrophobicContact CG2-CD1 3.79Å |
| 906 | I | 85.7 | Confident | 85 | Confident | 18 Ų | 18 | 33.9 Ų | 33.9 | 9% | 0.092 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 126.6 | 169.1 | -60 | -168.4 | 0 | 0 | 0 | 108.9 | A959 L960 I962 L1042 P1168 F1171 | I906-A959 VanDerWaalsContact O-CA 3.31Å; I906-A959 WeakPolarHBondContact O-CA 3.28Å; I906-L960 PolarHBondContact N-O 2.95Å; I906-L960 PolarHBondContact O-N 3.24Å; I906-I962 HydrophobicContact CD1-CD1 3.33Å; I906-I962 HydrophobicContact CD1-CG1 4.16Å; I906-I962 HydrophobicContact CG1-CD1 4.03Å; I906-I962 HydrophobicContact CG1-CG1 4.35Å; I906-L1042 HydrophobicContact CD1-CD1 3.67Å; I906-P1168 VanDerWaalsContact CD1-CD 3.5Å; I906-P1168 HydrophobicContact CD1-CG 3.76Å; I906-P1168 HydrophobicContact CG1-CG 4.23Å; I906-F1171 HydrophobicContact CD1-CZ 4.44Å |
| 907 | R | 85.6 | Confident | 85.3 | Confident | 12 Ų | 12 | 35.8 Ų | 35.8 | 5% | 0.045 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 144.5 | 175 | -63.3 | -167.1 | -168.3 | 172.3 | 18.3 | 111.8 | T911 M914 G923 D925 Q1046 Y1166 | R907-T911 WeakPolarHBondContact CB-OG1 3.5Å; R907-T911 VanDerWaalsContact CD-O 3.32Å; R907-T911 WeakPolarHBondContact CD-O 3.45Å; R907-M914 PolarHBondContact NH1-O 3.31Å; R907-G923 PolarHBondContact NH2-O 3.21Å; R907-D925 IonicContact CZ-OD1 2.59Å; R907-D925 IonicContact NE-OD1 2.62Å; R907-D925 PolarHBondContact NE-OD1 2.91Å; R907-D925 VanDerWaalsContact NH2-CG 3.32Å; R907-D925 IonicContact NH2-OD1 2.73Å; R907-D925 PolarHBondContact NH2-OD1 2.9Å; R907-D925 IonicContact NH2-OD2 3.66Å; R907-D925 PolarHBondContact NH2-OD2 3Å; R907-D925 VanDerWaalsContact NH2-OD2 3.13Å; R907-Q1046 PolarHBondContact O-NE2 3.16Å; R907-Y1166 HydrophobicContact CG-CD1 4.12Å; R907-Y1166 HydrophobicContact CG-CE1 4.11Å; R907-Y1166 VanDerWaalsContact NE-CE1 3.26Å; R907-Y1166 PolarHBondContact NH2-OH 3.41Å; R907-Y1166 VanDerWaalsContact NH2-OH 3.16Å |
| 908 | G | 81.9 | Confident | 84.9 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | trans | -79.9 | -173.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | D910 T911 S912 D956 | G908-D910 VanDerWaalsContact C-N 3.25Å; G908-D910 PolarHBondContact O-N 3.39Å; G908-T911 PolarHBondContact O-N 3.39Å; G908-S912 WeakPolarHBondContact O-CB 3.38Å; G908-S912 PolarHBondContact O-N 3.24Å; G908-D956 WeakPolarHBondContact CA-OD1 3.18Å; G908-D956 WeakPolarHBondContact CA-OD2 3.28Å; G908-D956 PolarHBondContact N-OD2 2.65Å; G908-D956 VanDerWaalsContact N-OD2 3.12Å | ||
| 909 | S | 81.9 | Confident | 84.2 | Confident | 67 Ų | 67 | 52.9 Ų | 52.9 | 47% | 0.469 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -41.8 | -179.5 | 45.5 | 0 | 0 | 0 | 0 | 112.5 | T911 S912 | S909-T911 VanDerWaalsContact C-N 3.34Å; S909-T911 PolarHBondContact O-N 3.48Å; S909-S912 PolarHBondContact O-OG 3.35Å |
| 910 | D | 82.4 | Confident | 83.2 | Confident | 105 Ų | 105 | 60 Ų | 60 | 56% | 0.561 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -28.6 | -166.8 | -55.9 | -8.6 | 0 | 0 | 0 | 111.4 | G908 D956 | G908-D910 VanDerWaalsContact C-N 3.25Å; G908-D910 PolarHBondContact O-N 3.39Å; D910-D956 PolarHBondContact N-OD2 2.83Å; D910-D956 VanDerWaalsContact N-OD2 3.15Å |
| 911 | T | 85.3 | Confident | 82.3 | Confident | 5 Ų | 5 | 62.1 Ų | 62.1 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -6.3 | -175.2 | 59.4 | 0 | 0 | 0 | 0 | 113.9 | R907 G908 S909 L913 M914 Y954 Y955 D956 | R907-T911 WeakPolarHBondContact CB-OG1 3.5Å; R907-T911 VanDerWaalsContact CD-O 3.32Å; R907-T911 WeakPolarHBondContact CD-O 3.45Å; G908-T911 PolarHBondContact O-N 3.39Å; S909-T911 VanDerWaalsContact C-N 3.34Å; S909-T911 PolarHBondContact O-N 3.48Å; T911-L913 PolarHBondContact O-N 3.28Å; T911-M914 HydrophobicContact CG2-SD 4.19Å; T911-M914 PolarHBondContact O-N 2.82Å; T911-M914 VanDerWaalsContact O-N 3.07Å; T911-Y954 VanDerWaalsContact CG2-CB 3.5Å; T911-Y954 HydrophobicContact CG2-CG 4.37Å; T911-Y955 VanDerWaalsContact CG2-O 3.3Å; T911-Y955 WeakPolarHBondContact CG2-O 3.19Å; T911-D956 HydrophobicContact CG2-CB 3.72Å; T911-D956 PolarHBondContact N-OD2 3.41Å; T911-D956 WeakPolarHBondContact OG1-CB 3.14Å; T911-D956 PolarHBondContact OG1-OD2 3.21Å |
| 912 | S | 78.9 | Confident | 81.8 | Confident | 53 Ų | 53 | 63 Ų | 63 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -32.6 | -178.6 | 60.2 | 0 | 0 | 0 | 0 | 114.2 | G908 S909 | G908-S912 WeakPolarHBondContact O-CB 3.38Å; G908-S912 PolarHBondContact O-N 3.24Å; S909-S912 PolarHBondContact O-OG 3.35Å |
| 913 | L | 79.2 | Confident | 80.9 | Confident | 166 Ų | 166 | 62.9 Ų | 62.9 | 87% | 0.869 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -3.1 | -178.4 | -61.7 | 176.5 | 0 | 0 | 0 | 113.4 | T911 | T911-L913 PolarHBondContact O-N 3.28Š|
| 914 | M | 81.8 | Confident | 79.9 | Confident | 86 Ų | 86 | 64 Ų | 64 | 42% | 0.424 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 130.7 | -177.8 | -69.2 | -170.4 | 170.3 | 0 | 0 | 110.9 | R907 T911 Y954 | R907-M914 PolarHBondContact NH1-O 3.31Å; T911-M914 HydrophobicContact CG2-SD 4.19Å; T911-M914 PolarHBondContact O-N 2.82Å; T911-M914 VanDerWaalsContact O-N 3.07Å; M914-Y954 HydrophobicContact CB-CD2 4.31Å; M914-Y954 HydrophobicContact CB-CE2 4.08Å; M914-Y954 HydrophobicContact SD-CD1 4.29Å; M914-Y954 HydrophobicContact SD-CE1 4.44Å; M914-Y954 HydrophobicContact SD-CG 4.46Å |
| 915 | P | 81.3 | Confident | 78.8 | Confident | 104 Ų | 104 | 64.1 Ų | 64.1 | 68% | 0.675 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -72 | 149.5 | 175.7 | 29.8 | -34.1 | 0 | 0 | 0 | 111.3 | N917 Y954 | P915-N917 PolarHBondContact O-N 3.32Å; P915-Y954 PolarHBondContact O-OH 2.99Å |
| 916 | V | 78.1 | Confident | 77.9 | Confident | 50 Ų | 50 | 67.5 Ų | 67.5 | 30% | 0.303 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 131.1 | 172.7 | 179.8 | 0 | 0 | 0 | 0 | 110 | K918 G923 | V916-K918 PolarHBondContact O-N 2.89Å; V916-G923 WeakPolarHBondContact CA-O 3.41Å; V916-G923 WeakPolarHBondContact CB-O 3.38Å; V916-G923 WeakPolarHBondContact CG1-O 3.09Å; V916-G923 WeakPolarHBondContact CG2-O 3.37Å |
| 917 | N | 79.4 | Confident | 77.7 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 25% | 0.246 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -86.3 | 90.2 | 174.3 | -165.8 | -33.8 | 0 | 0 | 0 | 110.8 | P915 F919 Y920 G921 F922 | P915-N917 PolarHBondContact O-N 3.32Å; N917-F919 PolarHBondContact O-N 3.03Å; N917-F919 WeakPolarHBondContact OD1-CB 3.45Å; N917-F919 PolarHBondContact OD1-N 3.49Å; N917-F919 VanDerWaalsContact OD1-N 3.11Å; N917-Y920 PolarHBondContact OD1-N 3.49Å; N917-G921 WeakPolarHBondContact O-CA 3.48Å; N917-G921 PolarHBondContact O-N 3.34Å; N917-F922 HydrophobicContact CB-CD2 3.78Å; N917-F922 HydrophobicContact CB-CE1 4.34Å; N917-F922 HydrophobicContact CB-CE2 3.46Å; N917-F922 VanDerWaalsContact CB-CE2 3.46Å; N917-F922 HydrophobicContact CB-CG 4.31Å; N917-F922 HydrophobicContact CB-CZ 3.78Å; N917-F922 PolarHBondContact N-O 3.29Å; N917-F922 WeakPolarHBondContact ND2-CZ 3.35Å; N917-F922 PolarHBondContact O-N 2.84Å |
| 918 | K | 76.2 | Confident | 77.9 | Confident | 194 Ų | 194 | 69.2 Ų | 69.2 | 84% | 0.843 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.1 | 179.1 | -64.5 | -172.3 | 178.4 | -173.8 | 0 | 114.3 | V916 | V916-K918 PolarHBondContact O-N 2.89Š|
| 919 | F | 72 | Confident | 78.3 | Confident | 170 Ų | 170 | 70 Ų | 70 | 75% | 0.746 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -43.8 | -175.8 | -173.8 | -94 | 0 | 0 | 0 | 111.8 | N917 | N917-F919 PolarHBondContact O-N 3.03Å; N917-F919 WeakPolarHBondContact OD1-CB 3.45Å; N917-F919 PolarHBondContact OD1-N 3.49Å; N917-F919 VanDerWaalsContact OD1-N 3.11Å |
| 920 | Y | 71.4 | Confident | 78.9 | Confident | 149 Ų | 149 | 66.8 Ų | 66.8 | 58% | 0.584 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -4.7 | 178.6 | -64.6 | -70.5 | 0 | 0 | 0 | 113.6 | N917 F922 | N917-Y920 PolarHBondContact OD1-N 3.49Å; Y920-F922 AromaticContact CD2-CE1 3.83Å; Y920-F922 HydrophobicContact CD2-CE1 3.83Å; Y920-F922 HydrophobicContact CD2-CZ 4.28Å; Y920-F922 HydrophobicContact CG-CD1 4.37Å; Y920-F922 AromaticContact CG-CE1 3.8Å; Y920-F922 HydrophobicContact CG-CE1 3.8Å |
| 921 | G | 74.1 | Confident | 79.3 | Confident | 44 Ų | 44 | 62 Ų | 62 | 45% | 0.454 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 32.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N917 | N917-G921 WeakPolarHBondContact O-CA 3.48Å; N917-G921 PolarHBondContact O-N 3.34Å |
| 922 | F | 81.5 | Confident | 79.6 | Confident | 20 Ų | 20 | 65 Ų | 65 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -123.7 | 163.8 | 176.3 | 66.2 | -111.3 | 0 | 0 | 0 | 112.8 | V877 N878 N917 Y920 S924 K952 Y954 | V877-F922 HydrophobicContact CG2-CB 3.75Å; V877-F922 HydrophobicContact CG2-CD1 4.36Å; V877-F922 HydrophobicContact CG2-CD2 3.57Å; V877-F922 HydrophobicContact CG2-CE2 4.26Å; V877-F922 HydrophobicContact CG2-CG 3.65Å; N878-F922 WeakPolarHBondContact OD1-CE1 3.44Å; N917-F922 HydrophobicContact CB-CD2 3.78Å; N917-F922 HydrophobicContact CB-CE1 4.34Å; N917-F922 HydrophobicContact CB-CE2 3.46Å; N917-F922 VanDerWaalsContact CB-CE2 3.46Å; N917-F922 HydrophobicContact CB-CG 4.31Å; N917-F922 HydrophobicContact CB-CZ 3.78Å; N917-F922 PolarHBondContact N-O 3.29Å; N917-F922 WeakPolarHBondContact ND2-CZ 3.35Å; N917-F922 PolarHBondContact O-N 2.84Å; Y920-F922 AromaticContact CD2-CE1 3.83Å; Y920-F922 HydrophobicContact CD2-CE1 3.83Å; Y920-F922 HydrophobicContact CD2-CZ 4.28Å; Y920-F922 HydrophobicContact CG-CD1 4.37Å; Y920-F922 AromaticContact CG-CE1 3.8Å; Y920-F922 HydrophobicContact CG-CE1 3.8Å; F922-S924 VanDerWaalsContact C-N 3.28Å; F922-K952 HydrophobicContact CB-CB 3.69Å; F922-K952 HydrophobicContact CB-CD 4.32Å; F922-Y954 HydrophobicContact CD2-CD1 4.41Å; F922-Y954 AromaticContact CD2-CE1 3.72Å; F922-Y954 HydrophobicContact CD2-CE1 3.72Å; F922-Y954 AromaticContact CD2-CZ 3.83Å; F922-Y954 HydrophobicContact CE2-CD1 4.42Å; F922-Y954 AromaticContact CE2-CE1 3.47Å; F922-Y954 HydrophobicContact CE2-CE1 3.47Å; F922-Y954 VanDerWaalsContact CE2-CE1 3.47Å; F922-Y954 AromaticContact CE2-CZ 3.76Å |
| 923 | G | 73.8 | Confident | 80 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 66 | 32.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R907 V916 K952 Y954 | R907-G923 PolarHBondContact NH2-O 3.21Å; V916-G923 WeakPolarHBondContact CA-O 3.41Å; V916-G923 WeakPolarHBondContact CB-O 3.38Å; V916-G923 WeakPolarHBondContact CG1-O 3.09Å; V916-G923 WeakPolarHBondContact CG2-O 3.37Å; G923-K952 PolarHBondContact N-O 2.97Å; G923-Y954 VanDerWaalsContact CA-CE2 3.49Å |
| 924 | S | 69.2 | Low | 80.3 | Confident | 23 Ų | 23 | 56.1 Ų | 56.1 | 16% | 0.161 | 29% | 0.286 | C | S | . | . | trans | -82.5 | 153.7 | 170 | 53.3 | 0 | 0 | 0 | 0 | 110.6 | F922 D926 | F922-S924 VanDerWaalsContact C-N 3.28Å; S924-D926 VanDerWaalsContact CB-OD2 3.26Å; S924-D926 WeakPolarHBondContact CB-OD2 3.05Å; S924-D926 PolarHBondContact OG-OD2 3.35Å | ||
| 925 | D | 66.6 | Low | 80.4 | Confident | 22 Ų | 22 | 53 Ų | 53 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | trans | -108.6 | 49.5 | -178.5 | -54.4 | -46.8 | 0 | 0 | 0 | 110.5 | R907 E1165 Y1166 | R907-D925 IonicContact CZ-OD1 2.59Å; R907-D925 IonicContact NE-OD1 2.62Å; R907-D925 PolarHBondContact NE-OD1 2.91Å; R907-D925 VanDerWaalsContact NH2-CG 3.32Å; R907-D925 IonicContact NH2-OD1 2.73Å; R907-D925 PolarHBondContact NH2-OD1 2.9Å; R907-D925 IonicContact NH2-OD2 3.66Å; R907-D925 PolarHBondContact NH2-OD2 3Å; R907-D925 VanDerWaalsContact NH2-OD2 3.13Å; D925-E1165 HydrophobicContact CB-CB 4.25Å; D925-Y1166 HydrophobicContact CB-CE1 4.43Å; D925-Y1166 WeakPolarHBondContact OD1-CE1 3.34Å; D925-Y1166 WeakPolarHBondContact OD2-CE1 3.44Å; D925-Y1166 PolarHBondContact OD2-OH 2.81Å | ||
| 926 | D | 70.4 | Confident | 80.4 | Confident | 81 Ų | 81 | 52.2 Ų | 52.2 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | trans | -67.8 | 133.1 | -172.3 | -58.6 | -39.7 | 0 | 0 | 0 | 110.9 | S924 L928 | S924-D926 VanDerWaalsContact CB-OD2 3.26Å; S924-D926 WeakPolarHBondContact CB-OD2 3.05Å; S924-D926 PolarHBondContact OG-OD2 3.35Å; D926-L928 HydrophobicContact CB-CD2 4.44Å; D926-L928 PolarHBondContact O-N 3.28Å | ||
| 927 | D | 81.6 | Confident | 80.6 | Confident | 60 Ų | 60 | 52.5 Ų | 52.5 | 32% | 0.321 | 27% | 0.265 | S | S | . | . | trans | -78.8 | 114 | 171.7 | -78.1 | -16.6 | 0 | 0 | 0 | 108.2 | L902 K904 | L902-D927 HydrophobicContact CD1-CB 4.01Å; K904-D927 WeakPolarHBondContact CD-OD1 3.09Å; K904-D927 WeakPolarHBondContact CE-OD1 3.23Å; K904-D927 IonicContact NZ-OD1 3.72Å; K904-D927 PolarHBondContact NZ-OD1 2.97Å | ||
| 928 | L | 89.2 | Confident | 80.8 | Confident | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 106.2 | -178.3 | -53.1 | 177.7 | 0 | 0 | 0 | 109.3 | L883 L902 A903 D926 F930 Q949 T951 | L883-L928 HydrophobicContact CB-CD1 4.32Å; L883-L928 HydrophobicContact CD2-CD1 3.85Å; L902-L928 WeakPolarHBondContact CA-O 3.26Å; A903-L928 HydrophobicContact CB-CB 4.1Å; A903-L928 HydrophobicContact CB-CD1 4.49Å; A903-L928 PolarHBondContact N-O 3.34Å; A903-L928 WeakPolarHBondContact O-CB 3.49Å; A903-L928 PolarHBondContact O-N 3.05Å; D926-L928 HydrophobicContact CB-CD2 4.44Å; D926-L928 PolarHBondContact O-N 3.28Å; L928-F930 HydrophobicContact CB-CE2 3.75Å; L928-F930 HydrophobicContact CB-CZ 4.46Å; L928-Q949 VanDerWaalsContact CB-OE1 3.31Å; L928-Q949 HydrophobicContact CD2-CB 4.04Å; L928-T951 HydrophobicContact CD1-CG2 4.12Å |
| 929 | L | 91.1 | Very high | 81.2 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 9% | 0.094 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122.7 | -173.9 | 174.1 | 63 | 0 | 0 | 0 | 111.1 | F900 D931 Q949 L1153 L1157 | F900-L929 HydrophobicContact CB-CD1 4.41Å; F900-L929 HydrophobicContact CD2-CD1 3.55Å; F900-L929 HydrophobicContact CE2-CD1 4.16Å; F900-L929 HydrophobicContact CG-CD1 4.27Å; L929-D931 HydrophobicContact CD1-CB 4.4Å; L929-D931 HydrophobicContact CG-CB 4.46Å; L929-Q949 PolarHBondContact O-NE2 2.94Å; L929-L1153 HydrophobicContact CD2-CB 4.32Å; L929-L1157 HydrophobicContact CD1-CD1 4.03Å; L929-L1157 HydrophobicContact CD2-CD1 4.21Å |
| 930 | F | 93.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 100.4 | 176.9 | -61.5 | -96.7 | 0 | 0 | 0 | 109.6 | L883 L885 F900 G901 A903 L928 W944 D946 Q949 | L883-F930 HydrophobicContact CB-CZ 4.32Å; L883-F930 HydrophobicContact CD2-CE2 4Å; L883-F930 HydrophobicContact CD2-CZ 4.13Å; L883-F930 HydrophobicContact CG-CE2 4.32Å; L883-F930 HydrophobicContact CG-CZ 3.96Å; L883-F930 WeakPolarHBondContact O-CE1 3.39Å; L883-F930 WeakPolarHBondContact O-CZ 3.5Å; L885-F930 HydrophobicContact CB-CB 4.35Å; L885-F930 HydrophobicContact CB-CD1 4.04Å; L885-F930 HydrophobicContact CB-CG 4.13Å; L885-F930 HydrophobicContact CD1-CB 3.81Å; L885-F930 HydrophobicContact CD1-CD1 3.97Å; L885-F930 HydrophobicContact CD1-CD2 3.15Å; L885-F930 HydrophobicContact CD1-CE1 4.35Å; L885-F930 HydrophobicContact CD1-CE2 3.58Å; L885-F930 HydrophobicContact CD1-CG 3.36Å; L885-F930 HydrophobicContact CD1-CZ 4.16Å; L885-F930 HydrophobicContact CG-CD2 4.46Å; L885-F930 HydrophobicContact CG-CG 4.33Å; F900-F930 WeakPolarHBondContact CA-O 3.04Å; G901-F930 PolarHBondContact N-O 3.49Å; G901-F930 PolarHBondContact O-N 3.22Å; A903-F930 HydrophobicContact CB-CE2 4.17Å; L928-F930 HydrophobicContact CB-CE2 3.75Å; L928-F930 HydrophobicContact CB-CZ 4.46Å; F930-W944 PolarHBondContact O-NE1 3.07Å; F930-D946 VanDerWaalsContact C-OD2 3.22Å; F930-D946 WeakPolarHBondContact CA-OD2 3.15Å; F930-D946 HydrophobicContact CD1-CB 3.74Å; F930-D946 HydrophobicContact CE1-CB 4.45Å; F930-Q949 HydrophobicContact CE1-CG 3.95Å; F930-Q949 HydrophobicContact CZ-CB 4.02Å; F930-Q949 HydrophobicContact CZ-CG 3.84Å |
| 931 | D | 90.9 | Very high | 82.7 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | trans | -122.9 | -7.4 | -175.8 | 62.1 | -23.8 | 0 | 0 | 0 | 114 | Y898 F900 L929 F933 D946 H1150 L1153 | Y898-D931 HydrophobicContact CE1-CB 4.25Å; Y898-D931 PolarHBondContact OH-O 3.19Å; F900-D931 HydrophobicContact CB-CB 3.88Å; L929-D931 HydrophobicContact CD1-CB 4.4Å; L929-D931 HydrophobicContact CG-CB 4.46Å; D931-F933 WeakPolarHBondContact O-CD1 3.41Å; D931-F933 WeakPolarHBondContact O-CE1 3.41Å; D931-D946 PolarHBondContact N-OD2 3.11Å; D931-H1150 IonicContact OD1-CE1 2.98Å; D931-H1150 IonicContact OD1-ND1 3.26Å; D931-H1150 PolarHBondContact OD1-ND1 2.76Å; D931-H1150 VanDerWaalsContact OD1-ND1 3.08Å; D931-H1150 WeakPolarHBondContact OD2-CA 3.36Å; D931-H1150 VanDerWaalsContact OD2-CB 3.28Å; D931-H1150 WeakPolarHBondContact OD2-CB 3.45Å; D931-H1150 IonicContact OD2-CG 3.4Å; D931-H1150 IonicContact OD2-ND1 3.95Å; D931-H1150 PolarHBondContact OD2-ND1 3.24Å; D931-L1153 HydrophobicContact CB-CD1 3.86Å | ||
| 932 | K | 90.1 | Very high | 83.4 | Confident | 67 Ų | 67 | 31.4 Ų | 31.4 | 29% | 0.291 | 17% | 0.168 | S | C | . | . | trans | -97.3 | 129.3 | 177.1 | -166.8 | 176.6 | -176.8 | 170.6 | 0 | 111.7 | W944 E945 D946 D1143 Y1146 | K932-W944 CarbonylContact O-C 3.54Å; K932-W944 WeakPolarHBondContact O-CA 3.41Å; K932-E945 PolarHBondContact O-N 2.85Å; K932-D946 WeakPolarHBondContact CB-OD1 3.39Å; K932-D946 PolarHBondContact N-OD1 2.84Å; K932-D946 PolarHBondContact N-OD2 3.43Å; K932-D946 PolarHBondContact O-N 3.2Å; K932-D946 VanDerWaalsContact O-OD2 3.14Å; K932-D1143 IonicContact NZ-OD1 3.85Å; K932-D1143 PolarHBondContact NZ-OD1 3.01Å; K932-Y1146 HydrophobicContact CB-CD1 4.47Å; K932-Y1146 HydrophobicContact CB-CE1 4.47Å; K932-Y1146 HydrophobicContact CG-CD1 4.2Å; K932-Y1146 HydrophobicContact CG-CD2 4.08Å; K932-Y1146 HydrophobicContact CG-CE1 4.15Å; K932-Y1146 HydrophobicContact CG-CE2 3.99Å; K932-Y1146 HydrophobicContact CG-CG 4.2Å | ||
| 933 | F | 87.7 | Confident | 83.8 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -138.1 | 173.7 | 177.4 | 43.4 | -93.1 | 0 | 0 | 0 | 112.1 | Y898 I899 D931 P935 L939 P942 K943 L1120 Y1146 | Y898-F933 HydrophobicContact CD2-CE1 4.39Å; Y898-F933 AromaticContact CD2-CZ 3.9Å; Y898-F933 HydrophobicContact CD2-CZ 3.9Å; Y898-F933 HydrophobicContact CE1-CE1 4.2Å; Y898-F933 AromaticContact CE2-CE1 3.71Å; Y898-F933 HydrophobicContact CE2-CE1 3.71Å; Y898-F933 HydrophobicContact CE2-CE2 4.49Å; Y898-F933 AromaticContact CE2-CZ 3.37Å; Y898-F933 HydrophobicContact CE2-CZ 3.37Å; Y898-F933 AromaticContact CZ-CE1 3.6Å; Y898-F933 AromaticContact CZ-CZ 3.8Å; I899-F933 WeakPolarHBondContact O-CE1 3.38Å; D931-F933 WeakPolarHBondContact O-CD1 3.41Å; D931-F933 WeakPolarHBondContact O-CE1 3.41Å; F933-P935 WeakPolarHBondContact O-CD 2.94Å; F933-L939 HydrophobicContact CD2-CD2 4.25Å; F933-L939 HydrophobicContact CE1-CD2 4.24Å; F933-L939 HydrophobicContact CE2-CD2 3.23Å; F933-L939 HydrophobicContact CE2-CG 4.46Å; F933-L939 HydrophobicContact CZ-CD2 3.22Å; F933-P942 HydrophobicContact CG-CB 4.42Å; F933-K943 CarbonylContact C-O 3.56Å; F933-K943 WeakPolarHBondContact CA-O 3.09Å; F933-K943 WeakPolarHBondContact CB-O 2.88Å; F933-L1120 HydrophobicContact CE2-CB 4.23Å; F933-Y1146 VanDerWaalsContact C-OH 3.28Å; F933-Y1146 HydrophobicContact CD1-CE1 4.48Å; F933-Y1146 VanDerWaalsContact CD2-OH 3.24Å; F933-Y1146 WeakPolarHBondContact CD2-OH 3.45Å; F933-Y1146 HydrophobicContact CE1-CE1 4.33Å; F933-Y1146 WeakPolarHBondContact CE2-OH 3.29Å; F933-Y1146 HydrophobicContact CZ-CE1 4.34Å; F933-Y1146 PolarHBondContact N-OH 3.11Å; F933-Y1146 VanDerWaalsContact O-CZ 3.26Å; F933-Y1146 PolarHBondContact O-OH 3.05Å |
| 934 | D | 86.9 | Confident | 84.6 | Confident | 32 Ų | 32 | 36.4 Ų | 36.4 | 17% | 0.171 | 19% | 0.189 | C | C | . | . | trans | -62.2 | 117.9 | 172.9 | 178.2 | -19 | 0 | 0 | 0 | 108.9 | T936 M937 K943 | D934-T936 PolarHBondContact O-N 2.68Å; D934-T936 WeakPolarHBondContact OD1-CB 3.2Å; D934-T936 PolarHBondContact OD1-N 2.9Å; D934-T936 PolarHBondContact OD1-OG1 3.25Å; D934-T936 PolarHBondContact OD2-OG1 3.07Å; D934-M937 HydrophobicContact CB-CB 4.34Å; D934-M937 HydrophobicContact CB-CG 3.86Å; D934-M937 PolarHBondContact O-N 3.23Å; D934-K943 HydrophobicContact CB-CB 4.46Å; D934-K943 PolarHBondContact N-O 3.48Å | ||
| 935 | P | 82.9 | Confident | 85.6 | Confident | 22 Ų | 22 | 40.3 Ų | 40.3 | 14% | 0.143 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -16.3 | -172.4 | 30.8 | -36.9 | 0 | 0 | 0 | 113.5 | F933 N1119 L1120 D1121 | F933-P935 WeakPolarHBondContact O-CD 2.94Å; P935-N1119 WeakPolarHBondContact O-CB 3.4Å; P935-L1120 HydrophobicContact CB-CB 3.98Å; P935-L1120 HydrophobicContact CB-CD2 4.3Å; P935-L1120 PolarHBondContact O-N 3.46Å; P935-L1120 VanDerWaalsContact O-N 3.16Å; P935-D1121 WeakPolarHBondContact CB-OD1 3.32Å; P935-D1121 PolarHBondContact O-N 3.38Å |
| 936 | T | 81.8 | Confident | 86.6 | Confident | 87 Ų | 87 | 40.5 Ų | 40.5 | 53% | 0.534 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -25.6 | -179.7 | 70.5 | 0 | 0 | 0 | 0 | 112.5 | D934 N1119 | D934-T936 PolarHBondContact O-N 2.68Å; D934-T936 WeakPolarHBondContact OD1-CB 3.2Å; D934-T936 PolarHBondContact OD1-N 2.9Å; D934-T936 PolarHBondContact OD1-OG1 3.25Å; D934-T936 PolarHBondContact OD2-OG1 3.07Å; T936-N1119 PolarHBondContact O-ND2 3.31Å |
| 937 | M | 83 | Confident | 87.5 | Confident | 56 Ų | 56 | 40.3 Ų | 40.3 | 28% | 0.276 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -71.3 | 150.3 | -179.1 | -71.9 | -106 | 73.5 | 0 | 0 | 111.8 | D934 K943 M1112 N1119 | D934-M937 HydrophobicContact CB-CB 4.34Å; D934-M937 HydrophobicContact CB-CG 3.86Å; D934-M937 PolarHBondContact O-N 3.23Å; M937-K943 HydrophobicContact CG-CB 4.45Å; M937-K943 HydrophobicContact SD-CB 4.4Å; M937-M1112 HydrophobicContact CE-CE 4.36Å; M937-N1119 VanDerWaalsContact O-CB 3.25Å; M937-N1119 WeakPolarHBondContact O-CB 3.12Å |
| 938 | S | 83.2 | Confident | 87.8 | Confident | 13 Ų | 13 | 40.3 Ų | 40.3 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | trans | -66 | 136.2 | 172.1 | 178.2 | 0 | 0 | 0 | 0 | 110 | E940 N941 T1118 | S938-E940 PolarHBondContact O-N 2.74Å; S938-E940 VanDerWaalsContact O-N 3.11Å; S938-E940 PolarHBondContact OG-N 3.22Å; S938-N941 CarbonylContact O-C 3.18Å; S938-N941 WeakPolarHBondContact O-CA 3.31Å; S938-N941 PolarHBondContact O-N 2.72Å; S938-T1118 PolarHBondContact OG-OG1 3.38Å | ||
| 939 | L | 85.1 | Confident | 87.8 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.6 | 173.8 | -70.2 | 167.9 | 0 | 0 | 0 | 113.2 | V893 D897 I899 F933 N941 P942 T1118 M1123 | V893-L939 HydrophobicContact CG1-CB 3.89Å; V893-L939 HydrophobicContact CG2-CB 4.46Å; D897-L939 WeakPolarHBondContact O-CD1 3.42Å; I899-L939 HydrophobicContact CD1-CB 4.32Å; I899-L939 WeakPolarHBondContact CD1-O 3.43Å; F933-L939 HydrophobicContact CD2-CD2 4.25Å; F933-L939 HydrophobicContact CE1-CD2 4.24Å; F933-L939 HydrophobicContact CE2-CD2 3.23Å; F933-L939 HydrophobicContact CE2-CG 4.46Å; F933-L939 HydrophobicContact CZ-CD2 3.22Å; L939-N941 PolarHBondContact O-N 3.35Å; L939-P942 WeakPolarHBondContact O-CD 3.46Å; L939-T1118 VanDerWaalsContact CB-O 3.28Å; L939-T1118 WeakPolarHBondContact CB-O 3.22Å; L939-T1118 VanDerWaalsContact CD1-O 3.31Å; L939-T1118 WeakPolarHBondContact CD1-O 3.3Å; L939-T1118 WeakPolarHBondContact CG-O 3.43Å; L939-T1118 PolarHBondContact N-O 3.29Å; L939-M1123 HydrophobicContact CD1-SD 4Å |
| 940 | E | 85.2 | Confident | 87.7 | Confident | 77 Ų | 77 | 45.3 Ų | 45.3 | 36% | 0.36 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -24.8 | 171.9 | -63.4 | -176 | 157.5 | 0 | 0 | 112.9 | G890 L891 V893 S938 | G890-E940 PolarHBondContact N-O 2.84Å; L891-E940 WeakPolarHBondContact CB-O 3.49Å; L891-E940 PolarHBondContact N-O 3.29Å; L891-E940 WeakPolarHBondContact O-CB 3.09Å; L891-E940 WeakPolarHBondContact O-CG 3.07Å; V893-E940 HydrophobicContact CB-CG 3.83Å; V893-E940 HydrophobicContact CG2-CB 4.45Å; V893-E940 HydrophobicContact CG2-CG 3.92Å; S938-E940 PolarHBondContact O-N 2.74Å; S938-E940 VanDerWaalsContact O-N 3.11Å; S938-E940 PolarHBondContact OG-N 3.22Å |
| 941 | N | 87.8 | Confident | 87.5 | Confident | 66 Ų | 66 | 45.5 Ų | 45.5 | 35% | 0.353 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -134.1 | 64.1 | 179.7 | -56.2 | -71.2 | 0 | 0 | 0 | 110.4 | A888 K889 G890 S938 L939 | A888-N941 CarbonylContact O-C 3.6Å; A888-N941 WeakPolarHBondContact O-CA 3.46Å; K889-N941 VanDerWaalsContact CA-OD1 3.29Å; K889-N941 WeakPolarHBondContact CA-OD1 3.39Å; G890-N941 PolarHBondContact N-OD1 3.04Å; S938-N941 CarbonylContact O-C 3.18Å; S938-N941 WeakPolarHBondContact O-CA 3.31Å; S938-N941 PolarHBondContact O-N 2.72Å; L939-N941 PolarHBondContact O-N 3.35Å |
| 942 | P | 89.7 | Confident | 87.5 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | trans | -72.2 | 144.1 | -172.8 | 31.1 | -33.8 | 0 | 0 | 0 | 110.9 | D887 A888 L891 I899 F933 L939 W944 | D887-P942 VanDerWaalsContact CA-O 3.28Å; D887-P942 WeakPolarHBondContact CA-O 3.01Å; A888-P942 HydrophobicContact CB-CG 4.14Å; A888-P942 PolarHBondContact N-O 3.04Å; A888-P942 WeakPolarHBondContact O-CD 3.19Å; L891-P942 HydrophobicContact CD1-CG 3.81Å; I899-P942 HydrophobicContact CG2-CG 4.49Å; F933-P942 HydrophobicContact CG-CB 4.42Å; L939-P942 WeakPolarHBondContact O-CD 3.46Å; P942-W944 HydrophobicContact CB-CH2 4.34Å; P942-W944 HydrophobicContact CB-CZ3 4.37Å; P942-W944 HydrophobicContact CG-CE3 4.48Å; P942-W944 HydrophobicContact CG-CH2 3.55Å; P942-W944 HydrophobicContact CG-CZ2 4.12Å; P942-W944 HydrophobicContact CG-CZ3 3.78Å | ||
| 943 | K | 89.8 | Confident | 87.4 | Confident | 112 Ų | 112 | 44.6 Ų | 44.6 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | B | Isolated β-bridge | trans | -116.9 | 108.9 | 172.2 | -176.7 | -175.5 | 177.4 | -171.1 | 0 | 108.9 | K886 F933 D934 M937 | K886-K943 CarbonylContact O-C 3.57Å; K886-K943 WeakPolarHBondContact O-CA 3.14Å; F933-K943 CarbonylContact C-O 3.56Å; F933-K943 WeakPolarHBondContact CA-O 3.09Å; F933-K943 WeakPolarHBondContact CB-O 2.88Å; D934-K943 HydrophobicContact CB-CB 4.46Å; D934-K943 PolarHBondContact N-O 3.48Å; M937-K943 HydrophobicContact CG-CB 4.45Å; M937-K943 HydrophobicContact SD-CB 4.4Å |
| 944 | W | 91.6 | Very high | 87.4 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 5% | 0.045 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -71.7 | 138.5 | -176.2 | -76.9 | -92.9 | 0 | 0 | 0 | 111.9 | L885 K886 A888 I899 F930 K932 P942 L1067 | L885-W944 HydrophobicContact CB-CB 4.26Å; L885-W944 HydrophobicContact CB-CD2 4.09Å; L885-W944 HydrophobicContact CB-CE3 4.26Å; L885-W944 HydrophobicContact CB-CG 4.09Å; L885-W944 HydrophobicContact CD2-CD2 4.41Å; L885-W944 HydrophobicContact CD2-CE3 4.28Å; L885-W944 HydrophobicContact CD2-CH2 4.3Å; L885-W944 HydrophobicContact CD2-CZ2 4.43Å; L885-W944 HydrophobicContact CD2-CZ3 4.2Å; L885-W944 VanDerWaalsContact O-CB 3.3Å; L885-W944 WeakPolarHBondContact O-CB 3.14Å; K886-W944 PolarHBondContact O-N 2.9Å; A888-W944 HydrophobicContact CB-CH2 3.7Å; A888-W944 HydrophobicContact CB-CZ3 3.56Å; I899-W944 HydrophobicContact CG2-CZ2 4.14Å; F930-W944 PolarHBondContact O-NE1 3.07Å; K932-W944 CarbonylContact O-C 3.54Å; K932-W944 WeakPolarHBondContact O-CA 3.41Å; P942-W944 HydrophobicContact CB-CH2 4.34Å; P942-W944 HydrophobicContact CB-CZ3 4.37Å; P942-W944 HydrophobicContact CG-CE3 4.48Å; P942-W944 HydrophobicContact CG-CH2 3.55Å; P942-W944 HydrophobicContact CG-CZ2 4.12Å; P942-W944 HydrophobicContact CG-CZ3 3.78Å; W944-L1067 HydrophobicContact CH2-CD1 4.45Å; W944-L1067 HydrophobicContact CZ3-CD1 4.26Å |
| 945 | E | 88.6 | Confident | 87.4 | Confident | 106 Ų | 106 | 49.1 Ų | 49.1 | 50% | 0.495 | 26% | 0.256 | S | S | . | . | trans | -113.9 | 2.7 | 176.4 | -66.6 | -169.8 | 158.9 | 0 | 0 | 112.2 | K932 A947 | K932-E945 PolarHBondContact O-N 2.85Å; E945-A947 PolarHBondContact O-N 3.43Å | ||
| 946 | D | 89.2 | Confident | 87.5 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 14% | 0.139 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -53.6 | 139.4 | 173.7 | -75.6 | -65 | 0 | 0 | 0 | 112 | F930 D931 K932 | F930-D946 VanDerWaalsContact C-OD2 3.22Å; F930-D946 WeakPolarHBondContact CA-OD2 3.15Å; F930-D946 HydrophobicContact CD1-CB 3.74Å; F930-D946 HydrophobicContact CE1-CB 4.45Å; D931-D946 PolarHBondContact N-OD2 3.11Å; K932-D946 WeakPolarHBondContact CB-OD1 3.39Å; K932-D946 PolarHBondContact N-OD1 2.84Å; K932-D946 PolarHBondContact N-OD2 3.43Å; K932-D946 PolarHBondContact O-N 3.2Å; K932-D946 VanDerWaalsContact O-OD2 3.14Å |
| 947 | A | 87.6 | Confident | 87.5 | Confident | 76 Ų | 76 | 45.8 Ų | 45.8 | 63% | 0.628 | 24% | 0.237 | S | C | * | . | P | Polyproline II helix | trans | -60.3 | 143.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | E945 Q949 | E945-A947 PolarHBondContact O-N 3.43Å; A947-Q949 PolarHBondContact O-N 3.22Å |
| 948 | P | 87.8 | Confident | 87.7 | Confident | 61 Ų | 61 | 44.1 Ų | 44.1 | 40% | 0.396 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -55.4 | 132.5 | 175.5 | -22.7 | 32 | 0 | 0 | 0 | 111.5 | L882 L883 | L882-P948 HydrophobicContact CB-CB 3.95Å; L882-P948 HydrophobicContact CD1-CB 4.45Å; L882-P948 HydrophobicContact CD2-CB 4.39Å; L882-P948 HydrophobicContact CG-CB 4.49Å; L883-P948 WeakPolarHBondContact O-CA 3.44Å |
| 949 | Q | 90.4 | Very high | 87.9 | Confident | 50 Ų | 50 | 43.6 Ų | 43.6 | 23% | 0.234 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 131.6 | -176.2 | -60.6 | -167.7 | 2.3 | 0 | 0 | 111.7 | L882 L883 L928 L929 F930 A947 | L882-Q949 WeakPolarHBondContact CA-O 2.98Å; L883-Q949 PolarHBondContact N-O 3.23Å; L883-Q949 PolarHBondContact O-N 3.15Å; L928-Q949 VanDerWaalsContact CB-OE1 3.31Å; L928-Q949 HydrophobicContact CD2-CB 4.04Å; L929-Q949 PolarHBondContact O-NE2 2.94Å; F930-Q949 HydrophobicContact CE1-CG 3.95Å; F930-Q949 HydrophobicContact CZ-CB 4.02Å; F930-Q949 HydrophobicContact CZ-CG 3.84Å; A947-Q949 PolarHBondContact O-N 3.22Å |
| 950 | L | 89.6 | Confident | 88 | Confident | 79 Ų | 79 | 43.6 Ų | 43.6 | 41% | 0.414 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 132.1 | -179.4 | 178.3 | 62 | 0 | 0 | 0 | 111.4 | L882 A1074 | L882-L950 HydrophobicContact CD2-CB 3.92Å; L882-L950 HydrophobicContact CD2-CD1 4.21Å; L950-A1074 HydrophobicContact CD1-CB 3.34Å |
| 951 | T | 89.1 | Confident | 88.2 | Confident | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 148.6 | 168 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | G880 F881 V905 L928 P953 | G880-T951 WeakPolarHBondContact CA-O 3.25Å; F881-T951 HydrophobicContact CD1-CG2 4.21Å; F881-T951 HydrophobicContact CD2-CG2 4.06Å; F881-T951 HydrophobicContact CE1-CG2 3.72Å; F881-T951 HydrophobicContact CE2-CG2 3.53Å; F881-T951 HydrophobicContact CG-CG2 4.36Å; F881-T951 HydrophobicContact CZ-CG2 3.33Å; F881-T951 PolarHBondContact N-O 3.48Å; F881-T951 PolarHBondContact O-N 2.47Å; V905-T951 HydrophobicContact CG2-CG2 4.44Å; L928-T951 HydrophobicContact CD1-CG2 4.12Å; T951-P953 VanDerWaalsContact C-CD 3.41Å |
| 952 | K | 90.2 | Very high | 88.4 | Confident | 49 Ų | 49 | 36.9 Ų | 36.9 | 21% | 0.213 | 19% | 0.192 | C | C | . | . | trans | -125.8 | 57.1 | -175.2 | -58.5 | -166.3 | 179.8 | -169.5 | 0 | 112.4 | N878 D879 F922 G923 | N878-K952 WeakPolarHBondContact O-CE 3.38Å; N878-K952 PolarHBondContact O-NZ 2.94Å; D879-K952 WeakPolarHBondContact O-CE 3.34Å; F922-K952 HydrophobicContact CB-CB 3.69Å; F922-K952 HydrophobicContact CB-CD 4.32Å; G923-K952 PolarHBondContact N-O 2.97Å | ||
| 953 | P | 88.4 | Confident | 88.5 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.019 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 158 | 179.9 | 28.6 | -36.8 | 0 | 0 | 0 | 112.4 | Y875 F881 V905 T951 F1018 | Y875-P953 VanDerWaalsContact CE1-O 3.26Å; Y875-P953 WeakPolarHBondContact CE1-O 3.07Å; Y875-P953 WeakPolarHBondContact OH-CD 3.3Å; Y875-P953 PolarHBondContact OH-O 3.18Å; F881-P953 HydrophobicContact CD1-CG 4.36Å; F881-P953 HydrophobicContact CE1-CG 3.6Å; F881-P953 HydrophobicContact CZ-CG 4.43Å; V905-P953 HydrophobicContact CB-CB 4.32Å; V905-P953 HydrophobicContact CG1-CB 3.78Å; V905-P953 HydrophobicContact CG1-CG 4.11Å; V905-P953 HydrophobicContact CG2-CG 4.3Å; T951-P953 VanDerWaalsContact C-CD 3.41Å; P953-F1018 HydrophobicContact CG-CZ 4.29Å |
| 954 | Y | 88.1 | Confident | 88.6 | Confident | 38 Ų | 38 | 31.7 Ų | 31.7 | 15% | 0.149 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 144.6 | 169 | -73.5 | -76.1 | 0 | 0 | 0 | 110.9 | V877 T911 M914 P915 F922 G923 D956 | V877-Y954 HydrophobicContact CG2-CD1 4.4Å; T911-Y954 VanDerWaalsContact CG2-CB 3.5Å; T911-Y954 HydrophobicContact CG2-CG 4.37Å; M914-Y954 HydrophobicContact CB-CD2 4.31Å; M914-Y954 HydrophobicContact CB-CE2 4.08Å; M914-Y954 HydrophobicContact SD-CD1 4.29Å; M914-Y954 HydrophobicContact SD-CE1 4.44Å; M914-Y954 HydrophobicContact SD-CG 4.46Å; P915-Y954 PolarHBondContact O-OH 2.99Å; F922-Y954 HydrophobicContact CD2-CD1 4.41Å; F922-Y954 AromaticContact CD2-CE1 3.72Å; F922-Y954 HydrophobicContact CD2-CE1 3.72Å; F922-Y954 AromaticContact CD2-CZ 3.83Å; F922-Y954 HydrophobicContact CE2-CD1 4.42Å; F922-Y954 AromaticContact CE2-CE1 3.47Å; F922-Y954 HydrophobicContact CE2-CE1 3.47Å; F922-Y954 VanDerWaalsContact CE2-CE1 3.47Å; F922-Y954 AromaticContact CE2-CZ 3.76Å; G923-Y954 VanDerWaalsContact CA-CE2 3.49Å; Y954-D956 PolarHBondContact O-N 2.94Å |
| 955 | Y | 86 | Confident | 88.7 | Confident | 91 Ų | 91 | 31.1 Ų | 31.1 | 36% | 0.357 | 17% | 0.167 | S | C | . | . | P | Polyproline II helix | trans | -63.6 | 122.6 | 168.9 | 170 | -112.3 | 0 | 0 | 0 | 109.5 | T911 F1018 G1021 | T911-Y955 VanDerWaalsContact CG2-O 3.3Å; T911-Y955 WeakPolarHBondContact CG2-O 3.19Å; Y955-F1018 HydrophobicContact CD2-CB 4.04Å; Y955-F1018 HydrophobicContact CD2-CD1 4.33Å; Y955-F1018 AromaticContact CD2-CD2 3.99Å; Y955-F1018 HydrophobicContact CD2-CD2 3.99Å; Y955-F1018 AromaticContact CD2-CG 3.86Å; Y955-F1018 HydrophobicContact CD2-CG 3.86Å; Y955-F1018 HydrophobicContact CE2-CB 3.73Å; Y955-F1018 HydrophobicContact CE2-CD2 4.43Å; Y955-F1018 HydrophobicContact CE2-CG 4.09Å; Y955-G1021 PolarHBondContact OH-N 3.15Å; Y955-G1021 VanDerWaalsContact OH-N 3.15Å |
| 956 | D | 85.9 | Confident | 88.9 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | trans | -147 | 126.5 | 173.2 | -168.3 | -45.4 | 0 | 0 | 0 | 108.2 | G908 D910 T911 Y954 N958 A959 F1018 | G908-D956 WeakPolarHBondContact CA-OD1 3.18Å; G908-D956 WeakPolarHBondContact CA-OD2 3.28Å; G908-D956 PolarHBondContact N-OD2 2.65Å; G908-D956 VanDerWaalsContact N-OD2 3.12Å; D910-D956 PolarHBondContact N-OD2 2.83Å; D910-D956 VanDerWaalsContact N-OD2 3.15Å; T911-D956 HydrophobicContact CG2-CB 3.72Å; T911-D956 PolarHBondContact N-OD2 3.41Å; T911-D956 WeakPolarHBondContact OG1-CB 3.14Å; T911-D956 PolarHBondContact OG1-OD2 3.21Å; Y954-D956 PolarHBondContact O-N 2.94Å; D956-N958 PolarHBondContact O-N 3.41Å; D956-N958 PolarHBondContact OD1-N 3.4Å; D956-A959 HydrophobicContact CB-CB 4.07Å; D956-A959 WeakPolarHBondContact O-CB 3.39Å; D956-A959 PolarHBondContact O-N 2.83Å; D956-F1018 WeakPolarHBondContact O-CD2 3.19Å | ||
| 957 | S | 81.7 | Confident | 88.9 | Confident | 37 Ų | 37 | 27.8 Ų | 27.8 | 26% | 0.259 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -26 | -179.4 | 69.1 | 0 | 0 | 0 | 0 | 112.4 | R1016 | S957-R1016 PolarHBondContact O-NE 3.13Å; S957-R1016 PolarHBondContact O-NH2 3.37Å |
| 958 | N | 85.8 | Confident | 88.9 | Confident | 22 Ų | 22 | 24.2 Ų | 24.2 | 12% | 0.118 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 15.4 | -178.3 | -61 | -32.1 | 0 | 0 | 0 | 113 | D956 R1016 Q1046 | D956-N958 PolarHBondContact O-N 3.41Å; D956-N958 PolarHBondContact OD1-N 3.4Å; N958-R1016 PolarHBondContact OD1-NH2 3.1Å; N958-Q1046 HydrophobicContact CB-CB 4.32Å; N958-Q1046 WeakPolarHBondContact O-CG 3.44Å; N958-Q1046 PolarHBondContact O-NE2 2.88Å; N958-Q1046 PolarHBondContact OD1-O 3.23Å |
| 959 | A | 87.5 | Confident | 88.8 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | trans | -67.8 | 137 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | I906 D956 L1017 F1018 | I906-A959 VanDerWaalsContact O-CA 3.31Å; I906-A959 WeakPolarHBondContact O-CA 3.28Å; D956-A959 HydrophobicContact CB-CB 4.07Å; D956-A959 WeakPolarHBondContact O-CB 3.39Å; D956-A959 PolarHBondContact O-N 2.83Å; A959-L1017 HydrophobicContact CB-CD1 4.38Å; A959-L1017 PolarHBondContact O-N 3.31Å; A959-F1018 HydrophobicContact CB-CD2 3.98Å; A959-F1018 HydrophobicContact CB-CE2 4.02Å | ||
| 960 | L | 87.8 | Confident | 88.3 | Confident | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 130.6 | 178.9 | -64.4 | 179.2 | 0 | 0 | 0 | 110.6 | V905 I906 R1016 I1045 Q1046 | V905-L960 WeakPolarHBondContact CA-O 3.4Å; I906-L960 PolarHBondContact N-O 2.95Å; I906-L960 PolarHBondContact O-N 3.24Å; L960-R1016 HydrophobicContact CD2-CB 4.26Å; L960-R1016 HydrophobicContact CD2-CG 4.49Å; L960-I1045 HydrophobicContact CD1-CB 4.3Å; L960-I1045 HydrophobicContact CD1-CG2 3.89Å; L960-I1045 HydrophobicContact CD2-CG2 3.94Å; L960-Q1046 HydrophobicContact CD1-CG 3.39Å; L960-Q1046 HydrophobicContact CG-CG 3.8Å |
| 961 | L | 89.9 | Confident | 87.7 | Confident | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 126.6 | 162.3 | -179.8 | 64.3 | 0 | 0 | 0 | 108.3 | L883 A903 V905 I963 F1014 L1015 L1017 I1069 L1071 | L883-L961 HydrophobicContact CD1-CD2 3.96Å; L883-L961 HydrophobicContact CD2-CD1 4.08Å; L883-L961 HydrophobicContact CD2-CD2 4.21Å; A903-L961 HydrophobicContact CB-CD1 4.32Å; V905-L961 HydrophobicContact CG2-CD1 4.1Å; L961-I963 HydrophobicContact CD2-CD1 4.21Å; L961-I963 HydrophobicContact CD2-CG1 4.44Å; L961-I963 HydrophobicContact CG-CD1 4.49Å; L961-I963 HydrophobicContact CG-CG1 4.19Å; L961-F1014 CarbonylContact O-C 3.55Å; L961-F1014 WeakPolarHBondContact O-CA 3.46Å; L961-L1015 HydrophobicContact CB-CB 4.46Å; L961-L1015 PolarHBondContact N-O 3Å; L961-L1015 PolarHBondContact O-N 3.29Å; L961-L1017 HydrophobicContact CB-CD1 4.15Å; L961-L1017 HydrophobicContact CB-CD2 3.67Å; L961-L1017 HydrophobicContact CB-CG 3.75Å; L961-L1017 HydrophobicContact CD2-CD2 4.18Å; L961-L1017 HydrophobicContact CG-CD2 4.42Å; L961-I1069 HydrophobicContact CD2-CD1 4Å; L961-L1071 HydrophobicContact CD2-CD2 4.28Å |
| 962 | I | 90.9 | Very high | 87 | Confident | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 132.8 | 174.3 | -62.4 | -165.1 | 0 | 0 | 0 | 108.6 | A903 K904 I906 Q964 F1014 I1037 L1042 P1168 | A903-I962 CarbonylContact C-O 3.37Å; A903-I962 VanDerWaalsContact CA-O 3.28Å; A903-I962 WeakPolarHBondContact CA-O 3.48Å; K904-I962 PolarHBondContact N-O 3.14Å; K904-I962 PolarHBondContact O-N 3.49Å; I906-I962 HydrophobicContact CD1-CD1 3.33Å; I906-I962 HydrophobicContact CD1-CG1 4.16Å; I906-I962 HydrophobicContact CG1-CD1 4.03Å; I906-I962 HydrophobicContact CG1-CG1 4.35Å; I962-Q964 HydrophobicContact CG2-CG 4.19Å; I962-F1014 HydrophobicContact CG1-CB 4.37Å; I962-I1037 HydrophobicContact CG2-CD1 4.34Å; I962-L1042 HydrophobicContact CD1-CD1 3.44Å; I962-L1042 VanDerWaalsContact CD1-CD1 3.44Å; I962-L1042 HydrophobicContact CD1-CD2 3.68Å; I962-L1042 HydrophobicContact CD1-CG 4.24Å; I962-P1168 HydrophobicContact CB-CG 4.3Å; I962-P1168 HydrophobicContact CD1-CG 3.93Å; I962-P1168 HydrophobicContact CG2-CB 4.5Å; I962-P1168 HydrophobicContact CG2-CG 4.11Å |
| 963 | I | 92.9 | Very high | 85.9 | Confident | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 123.3 | 178.4 | -51.2 | 179.5 | 0 | 0 | 0 | 108 | L885 A903 L961 W1012 S1013 L1030 L1067 I1069 | L885-I963 HydrophobicContact CD1-CG2 4.25Å; L885-I963 HydrophobicContact CD2-CG2 4.23Å; A903-I963 HydrophobicContact CB-CG1 4Å; A903-I963 HydrophobicContact CB-CG2 4.49Å; L961-I963 HydrophobicContact CD2-CD1 4.21Å; L961-I963 HydrophobicContact CD2-CG1 4.44Å; L961-I963 HydrophobicContact CG-CD1 4.49Å; L961-I963 HydrophobicContact CG-CG1 4.19Å; I963-W1012 CarbonylContact O-C 3.16Å; I963-W1012 WeakPolarHBondContact O-CA 3.45Å; I963-W1012 WeakPolarHBondContact O-CB 3.46Å; I963-S1013 PolarHBondContact N-O 3.28Å; I963-S1013 PolarHBondContact O-N 2.96Å; I963-L1030 HydrophobicContact CD1-CD1 4.38Å; I963-L1067 HydrophobicContact CB-CD2 4.08Å; I963-L1067 HydrophobicContact CD1-CD2 4Å; I963-L1067 HydrophobicContact CG2-CD2 3.82Å; I963-I1069 HydrophobicContact CD1-CD1 3.98Å; I963-I1069 HydrophobicContact CD1-CG2 3.55Å |
| 964 | Q | 92.5 | Very high | 84.7 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124.6 | -179.4 | -62.9 | -172 | -32.1 | 0 | 0 | 108.9 | G901 L902 I962 F966 L1009 I1037 | G901-Q964 CarbonylContact C-O 3.49Å; G901-Q964 WeakPolarHBondContact CA-O 3.46Å; L902-Q964 HydrophobicContact CB-CB 4.39Å; L902-Q964 PolarHBondContact N-O 2.81Å; L902-Q964 PolarHBondContact O-N 2.69Å; I962-Q964 HydrophobicContact CG2-CG 4.19Å; Q964-F966 HydrophobicContact CB-CD2 4.21Å; Q964-F966 HydrophobicContact CB-CE2 3.5Å; Q964-F966 VanDerWaalsContact CB-CE2 3.5Å; Q964-F966 HydrophobicContact CB-CZ 4.05Å; Q964-L1009 HydrophobicContact CB-CD1 3.72Å; Q964-L1009 HydrophobicContact CG-CD1 4.21Å; Q964-I1037 HydrophobicContact CG-CD1 4.09Å |
| 965 | I | 93.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 123.8 | 175.3 | -53.6 | -174.7 | 0 | 0 | 0 | 108.3 | A888 L891 I899 I1010 S1011 L1032 L1067 | A888-I965 HydrophobicContact CB-CD1 4.43Å; L891-I965 HydrophobicContact CD1-CG2 4.14Å; L891-I965 HydrophobicContact CD2-CD1 4.26Å; L891-I965 HydrophobicContact CD2-CG2 4.49Å; I899-I965 HydrophobicContact CG2-CG2 3.75Å; I965-I1010 HydrophobicContact CB-CG1 4.22Å; I965-I1010 HydrophobicContact CG2-CD1 3.81Å; I965-I1010 HydrophobicContact CG2-CG1 3.96Å; I965-I1010 WeakPolarHBondContact O-CG1 3.23Å; I965-I1010 PolarHBondContact O-N 2.77Å; I965-S1011 PolarHBondContact N-O 2.78Å; I965-S1011 PolarHBondContact O-N 2.98Å; I965-L1032 HydrophobicContact CD1-CD1 4.06Å; I965-L1032 HydrophobicContact CD1-CD2 3.6Å; I965-L1032 HydrophobicContact CG1-CD2 4.38Å; I965-L1067 HydrophobicContact CD1-CD1 3.84Å; I965-L1067 HydrophobicContact CD1-CD2 4.45Å |
| 966 | F | 91.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 144.9 | -179.8 | -71.5 | -82.3 | 0 | 0 | 0 | 110.9 | I899 F900 L902 Q964 V968 L1004 H1008 L1009 F1170 | I899-F966 VanDerWaalsContact CA-O 3.27Å; I899-F966 WeakPolarHBondContact CA-O 3.34Å; F900-F966 HydrophobicContact CD1-CB 3.83Å; F900-F966 HydrophobicContact CD2-CB 4.29Å; F900-F966 HydrophobicContact CD2-CD2 4.13Å; F900-F966 HydrophobicContact CE1-CB 3.37Å; F900-F966 HydrophobicContact CE1-CD2 4.44Å; F900-F966 HydrophobicContact CE1-CG 4.04Å; F900-F966 HydrophobicContact CE2-CB 3.87Å; F900-F966 AromaticContact CE2-CD2 3.41Å; F900-F966 HydrophobicContact CE2-CD2 3.41Å; F900-F966 VanDerWaalsContact CE2-CD2 3.41Å; F900-F966 HydrophobicContact CE2-CE2 4.21Å; F900-F966 AromaticContact CE2-CG 3.84Å; F900-F966 HydrophobicContact CE2-CG 3.84Å; F900-F966 HydrophobicContact CG-CB 4.28Å; F900-F966 HydrophobicContact CZ-CB 3.39Å; F900-F966 HydrophobicContact CZ-CD1 4.36Å; F900-F966 AromaticContact CZ-CD2 3.6Å; F900-F966 HydrophobicContact CZ-CD2 3.6Å; F900-F966 HydrophobicContact CZ-CE2 4.48Å; F900-F966 AromaticContact CZ-CG 3.52Å; F900-F966 HydrophobicContact CZ-CG 3.52Å; F900-F966 PolarHBondContact N-O 2.98Å; F900-F966 PolarHBondContact O-N 3.23Å; L902-F966 HydrophobicContact CB-CD2 4.33Å; L902-F966 HydrophobicContact CB-CE2 4Å; L902-F966 HydrophobicContact CD2-CE2 4.17Å; Q964-F966 HydrophobicContact CB-CD2 4.21Å; Q964-F966 HydrophobicContact CB-CE2 3.5Å; Q964-F966 VanDerWaalsContact CB-CE2 3.5Å; Q964-F966 HydrophobicContact CB-CZ 4.05Å; F966-V968 HydrophobicContact CB-CG2 4.49Å; F966-L1004 HydrophobicContact CD1-CD1 4.19Å; F966-H1008 CarbonylContact C-O 3.52Å; F966-H1008 WeakPolarHBondContact CA-O 3.49Å; F966-H1008 HydrophobicContact CD1-CB 4.34Å; F966-L1009 HydrophobicContact CD1-CB 4.15Å; F966-L1009 HydrophobicContact CD1-CD1 4.31Å; F966-L1009 HydrophobicContact CE1-CB 3.75Å; F966-L1009 HydrophobicContact CE1-CD1 3.84Å; F966-L1009 HydrophobicContact CE1-CG 4.39Å; F966-L1009 HydrophobicContact CE2-CD1 4.24Å; F966-L1009 HydrophobicContact CZ-CB 4.49Å; F966-L1009 HydrophobicContact CZ-CD1 3.82Å; F966-F1170 HydrophobicContact CD1-CE2 4.43Å; F966-F1170 AromaticContact CE1-CD2 3.46Å; F966-F1170 HydrophobicContact CE1-CD2 3.46Å; F966-F1170 VanDerWaalsContact CE1-CD2 3.46Å; F966-F1170 AromaticContact CE1-CE2 3.39Å; F966-F1170 HydrophobicContact CE1-CE2 3.39Å; F966-F1170 AromaticContact CZ-CD2 3.69Å; F966-F1170 HydrophobicContact CZ-CD2 3.69Å; F966-F1170 AromaticContact CZ-CE2 3.82Å; F966-F1170 HydrophobicContact CZ-CE2 3.82Å |
| 967 | R | 89.8 | Confident | 81.6 | Confident | 62 Ų | 62 | 23.3 Ų | 23.3 | 23% | 0.234 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 120.3 | 169.2 | -172.8 | -167.6 | 77.5 | -166.6 | -3.5 | 109.1 | T892 D897 Y898 H1008 I1010 | T892-R967 VanDerWaalsContact O-CD 3.3Å; T892-R967 WeakPolarHBondContact O-CD 3.38Å; T892-R967 PolarHBondContact O-NH1 3.25Å; T892-R967 VanDerWaalsContact O-NH1 3.09Å; D897-R967 HydrophobicContact CB-CG 3.65Å; D897-R967 WeakPolarHBondContact OD2-CD 3.27Å; D897-R967 IonicContact OD2-CZ 3.87Å; D897-R967 IonicContact OD2-NE 3.27Å; D897-R967 PolarHBondContact OD2-NE 3.14Å; Y898-R967 CarbonylContact O-C 3.38Å; Y898-R967 WeakPolarHBondContact O-CA 3.23Å; R967-H1008 PolarHBondContact N-O 2.67Å; R967-H1008 WeakPolarHBondContact O-CA 3.44Å; R967-H1008 WeakPolarHBondContact O-CB 3.32Å; R967-I1010 HydrophobicContact CB-CB 4.42Å; R967-I1010 HydrophobicContact CB-CD1 4.2Å; R967-I1010 HydrophobicContact CB-CG1 4.26Å; R967-I1010 HydrophobicContact CB-CG2 3.35Å; R967-I1010 HydrophobicContact CG-CG2 4.37Å |
| 968 | V | 88.3 | Confident | 81.3 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 116.3 | -172.5 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | Y898 F900 F966 L970 I980 L1004 H1008 | Y898-V968 PolarHBondContact N-O 2.84Å; Y898-V968 PolarHBondContact O-N 3.14Å; F900-V968 HydrophobicContact CD1-CG2 4.35Å; F900-V968 HydrophobicContact CE1-CG2 3.64Å; F966-V968 HydrophobicContact CB-CG2 4.49Å; V968-L970 HydrophobicContact CB-CD2 4.47Å; V968-L970 HydrophobicContact CG1-CD2 3.7Å; V968-L970 HydrophobicContact CG1-CG 4.49Å; V968-L970 PolarHBondContact O-N 2.77Å; V968-I980 HydrophobicContact CG1-CB 3.94Å; V968-I980 HydrophobicContact CG1-CD1 3.55Å; V968-I980 HydrophobicContact CG1-CG1 3.37Å; V968-I980 HydrophobicContact CG1-CG2 3.49Å; V968-I980 VanDerWaalsContact CG1-CG2 3.49Å; V968-L1004 HydrophobicContact CG2-CD1 3.81Å; V968-H1008 HydrophobicContact CG2-CB 4.32Å |
| 969 | P | 84.8 | Confident | 80.9 | Confident | 8 Ų | 8 | 22.6 Ų | 22.6 | 5% | 0.052 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 112.7 | 174.6 | -8.3 | 22.6 | 0 | 0 | 0 | 109.4 | D897 I980 T981 | D897-P969 WeakPolarHBondContact OD1-CA 3.41Å; D897-P969 WeakPolarHBondContact OD1-CB 3.43Å; P969-I980 CarbonylContact O-C 3.58Å; P969-I980 WeakPolarHBondContact O-CA 3.34Å; P969-T981 WeakPolarHBondContact CG-O 3.31Å; P969-T981 PolarHBondContact O-N 3.46Å |
| 970 | L | 80.6 | Confident | 80.4 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 146.6 | -177.8 | -62.2 | -178.6 | 0 | 0 | 0 | 111.8 | G896 Y898 V968 F972 I978 N979 I1149 F1152 | G896-L970 PolarHBondContact O-N 3.47Å; Y898-L970 HydrophobicContact CD2-CD1 4.49Å; Y898-L970 HydrophobicContact CG-CD1 4Å; V968-L970 HydrophobicContact CB-CD2 4.47Å; V968-L970 HydrophobicContact CG1-CD2 3.7Å; V968-L970 HydrophobicContact CG1-CG 4.49Å; V968-L970 PolarHBondContact O-N 2.77Å; L970-F972 HydrophobicContact CB-CE2 4.43Å; L970-F972 HydrophobicContact CB-CZ 4.14Å; L970-I978 HydrophobicContact CB-CG2 4.5Å; L970-I978 HydrophobicContact CD1-CG2 4.34Å; L970-I978 HydrophobicContact CD2-CG2 3.91Å; L970-I978 HydrophobicContact CG-CG2 4.48Å; L970-N979 WeakPolarHBondContact CA-O 3.3Å; L970-I1149 HydrophobicContact CD1-CD1 3.77Å; L970-I1149 HydrophobicContact CD1-CG1 3.98Å; L970-I1149 HydrophobicContact CD1-CG2 4.49Å; L970-F1152 HydrophobicContact CD2-CE1 4.23Å |
| 971 | V | 76.7 | Confident | 79.7 | Confident | 26 Ų | 26 | 23 Ų | 23 | 16% | 0.158 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 143 | 168.4 | 168.4 | 0 | 0 | 0 | 0 | 109.9 | N979 T981 | V971-N979 PolarHBondContact N-O 2.96Å; V971-N979 PolarHBondContact O-N 3.43Å; V971-T981 HydrophobicContact CB-CG2 3.54Å; V971-T981 HydrophobicContact CG1-CG2 4.46Å; V971-T981 HydrophobicContact CG2-CG2 3.27Å |
| 972 | F | 73.6 | Confident | 78.6 | Confident | 33 Ų | 33 | 30.3 Ų | 30.3 | 15% | 0.145 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 138.6 | -178.8 | -49.7 | -83.8 | 0 | 0 | 0 | 110.2 | L970 I978 W986 L1145 | L970-F972 HydrophobicContact CB-CE2 4.43Å; L970-F972 HydrophobicContact CB-CZ 4.14Å; F972-I978 HydrophobicContact CD1-CD1 4.4Å; F972-I978 HydrophobicContact CD1-CG1 3.83Å; F972-I978 HydrophobicContact CE1-CD1 3.94Å; F972-I978 HydrophobicContact CE1-CG1 3.81Å; F972-I978 HydrophobicContact CE1-CG2 4.25Å; F972-W986 HydrophobicContact CD2-CH2 4.23Å; F972-W986 AromaticContact CD2-CZ2 3.83Å; F972-W986 HydrophobicContact CD2-CZ2 3.83Å; F972-W986 HydrophobicContact CE2-CD2 4.46Å; F972-W986 AromaticContact CE2-CE2 3.78Å; F972-W986 AromaticContact CE2-CH2 3.1Å; F972-W986 HydrophobicContact CE2-CH2 3.1Å; F972-W986 AromaticContact CE2-CZ2 3.1Å; F972-W986 HydrophobicContact CE2-CZ2 3.1Å; F972-W986 AromaticContact CE2-CZ3 3.91Å; F972-W986 HydrophobicContact CE2-CZ3 3.91Å; F972-W986 AromaticContact CZ-CH2 3.46Å; F972-W986 HydrophobicContact CZ-CH2 3.46Å; F972-W986 VanDerWaalsContact CZ-CH2 3.46Å; F972-W986 AromaticContact CZ-CZ2 3.81Å; F972-W986 HydrophobicContact CZ-CZ2 3.81Å; F972-W986 HydrophobicContact CZ-CZ3 4.36Å; F972-L1145 HydrophobicContact CE1-CD1 3.7Å; F972-L1145 HydrophobicContact CZ-CD1 4.11Å |
| 973 | T | 68.5 | Low | 77.1 | Confident | 38 Ų | 38 | 33.6 Ų | 33.6 | 23% | 0.233 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 139.6 | 167.3 | 62.3 | 0 | 0 | 0 | 0 | 109.9 | G975 G976 S977 | T973-G975 PolarHBondContact O-N 2.74Å; T973-G976 PolarHBondContact O-N 3Å; T973-S977 PolarHBondContact N-O 2.98Å; T973-S977 PolarHBondContact OG1-N 2.98Å; T973-S977 VanDerWaalsContact OG1-N 3.17Å; T973-S977 PolarHBondContact OG1-O 3.43Å; T973-S977 PolarHBondContact OG1-OG 3.36Å |
| 974 | I | 62.1 | Low | 75.2 | Confident | 89 Ų | 89 | 34.4 Ų | 34.4 | 46% | 0.456 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 125.1 | 167.2 | -56.6 | 170.7 | 0 | 0 | 0 | 107.9 | V992 | I974-V992 HydrophobicContact CB-CG2 4.48Š|
| 975 | G | 61.3 | Low | 73.3 | Confident | 70 Ų | 70 | 39.2 Ų | 39.2 | 72% | 0.722 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.1 | 10.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116 | T973 D1131 | T973-G975 PolarHBondContact O-N 2.74Å; G975-D1131 PolarHBondContact N-OD2 3.21Å |
| 976 | G | 62.1 | Low | 71.4 | Confident | 39 Ų | 39 | 40.3 Ų | 40.3 | 40% | 0.402 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 108 | 18.6 | 148 | 0 | 0 | 0 | 0 | 0 | 119.5 | T973 | T973-G976 PolarHBondContact O-N 3Š|
| 977 | S | 71.1 | Confident | 69.4 | Low | 51 Ų | 51 | 46.2 Ų | 46.2 | 36% | 0.357 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 133.1 | 175 | 79.7 | 0 | 0 | 0 | 0 | 113.4 | T973 N979 | T973-S977 PolarHBondContact N-O 2.98Å; T973-S977 PolarHBondContact OG1-N 2.98Å; T973-S977 VanDerWaalsContact OG1-N 3.17Å; T973-S977 PolarHBondContact OG1-O 3.43Å; T973-S977 PolarHBondContact OG1-OG 3.36Å; S977-N979 PolarHBondContact OG-ND2 3.32Å |
| 978 | I | 76.9 | Confident | 67.4 | Low | 11 Ų | 11 | 47.4 Ų | 47.4 | 6% | 0.056 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 135.4 | 171.9 | -55.4 | -176.6 | 0 | 0 | 0 | 108.9 | L970 F972 E1148 I1149 F1152 | L970-I978 HydrophobicContact CB-CG2 4.5Å; L970-I978 HydrophobicContact CD1-CG2 4.34Å; L970-I978 HydrophobicContact CD2-CG2 3.91Å; L970-I978 HydrophobicContact CG-CG2 4.48Å; F972-I978 HydrophobicContact CD1-CD1 4.4Å; F972-I978 HydrophobicContact CD1-CG1 3.83Å; F972-I978 HydrophobicContact CE1-CD1 3.94Å; F972-I978 HydrophobicContact CE1-CG1 3.81Å; F972-I978 HydrophobicContact CE1-CG2 4.25Å; I978-E1148 HydrophobicContact CD1-CB 3.59Å; I978-I1149 HydrophobicContact CD1-CG1 3.77Å; I978-F1152 HydrophobicContact CB-CB 4.45Å; I978-F1152 HydrophobicContact CB-CD2 4.26Å; I978-F1152 HydrophobicContact CB-CG 4.21Å; I978-F1152 HydrophobicContact CG2-CD1 4.12Å; I978-F1152 HydrophobicContact CG2-CD2 4.46Å; I978-F1152 HydrophobicContact CG2-CE1 4.48Å; I978-F1152 HydrophobicContact CG2-CG 4.12Å; I978-F1152 WeakPolarHBondContact O-CD2 3.43Å; I978-F1152 WeakPolarHBondContact O-CE2 3.35Å |
| 979 | N | 76.1 | Confident | 65.4 | Low | 33 Ų | 33 | 52 Ų | 52 | 18% | 0.176 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 152.8 | 177.5 | -69.7 | -69.5 | 0 | 0 | 0 | 112.4 | L970 V971 S977 I1001 | L970-N979 WeakPolarHBondContact CA-O 3.3Å; V971-N979 PolarHBondContact N-O 2.96Å; V971-N979 PolarHBondContact O-N 3.43Å; S977-N979 PolarHBondContact OG-ND2 3.32Å; N979-I1001 HydrophobicContact CB-CD1 4.44Å; N979-I1001 HydrophobicContact CB-CG1 4.17Å; N979-I1001 HydrophobicContact CB-CG2 4.17Å |
| 980 | I | 77.5 | Confident | 63.7 | Low | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 132.6 | 172.8 | -48.5 | 177 | 0 | 0 | 0 | 110.3 | V968 P969 T1002 L1004 F1152 Q1156 | V968-I980 HydrophobicContact CG1-CB 3.94Å; V968-I980 HydrophobicContact CG1-CD1 3.55Å; V968-I980 HydrophobicContact CG1-CG1 3.37Å; V968-I980 HydrophobicContact CG1-CG2 3.49Å; V968-I980 VanDerWaalsContact CG1-CG2 3.49Å; P969-I980 CarbonylContact O-C 3.58Å; P969-I980 WeakPolarHBondContact O-CA 3.34Å; I980-T1002 WeakPolarHBondContact CB-O 3.14Å; I980-T1002 WeakPolarHBondContact CG2-OG1 3.15Å; I980-T1002 PolarHBondContact O-N 3.32Å; I980-T1002 PolarHBondContact O-OG1 3.16Å; I980-L1004 HydrophobicContact CD1-CB 4.18Å; I980-L1004 HydrophobicContact CD1-CD1 4.4Å; I980-F1152 HydrophobicContact CD1-CE1 4.07Å; I980-F1152 HydrophobicContact CD1-CZ 4.21Å; I980-F1152 HydrophobicContact CG1-CE1 3.65Å; I980-F1152 HydrophobicContact CG1-CZ 3.66Å; I980-Q1156 HydrophobicContact CD1-CG 4.33Å |
| 981 | T | 72.6 | Confident | 62 | Low | 14 Ų | 14 | 63.3 Ų | 63.3 | 9% | 0.086 | 37% | 0.368 | C | S | . | . | trans | -116.7 | 175.8 | 178.1 | 69.5 | 0 | 0 | 0 | 0 | 113.1 | P969 V971 S983 | P969-T981 WeakPolarHBondContact CG-O 3.31Å; P969-T981 PolarHBondContact O-N 3.46Å; V971-T981 HydrophobicContact CB-CG2 3.54Å; V971-T981 HydrophobicContact CG1-CG2 4.46Å; V971-T981 HydrophobicContact CG2-CG2 3.27Å; T981-S983 PolarHBondContact OG1-O 3.25Å | ||
| 982 | K | 67.5 | Low | 60.3 | Low | 153 Ų | 153 | 66.3 Ų | 66.3 | 67% | 0.665 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -81.5 | -22.4 | -177.7 | -67.1 | -177.3 | -177.8 | 175 | 0 | 114.1 | R999 T1002 | K982-R999 WeakPolarHBondContact CE-O 3.14Å; K982-R999 PolarHBondContact NZ-O 2.84Å; K982-T1002 HydrophobicContact CG-CG2 3.95Å |
| 983 | S | 59 | Low | 58.8 | Low | 71 Ų | 71 | 67.9 Ų | 67.9 | 50% | 0.497 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -153.7 | 134 | -176.3 | 55.4 | 0 | 0 | 0 | 0 | 109.8 | T981 N985 | T981-S983 PolarHBondContact OG1-O 3.25Å; S983-N985 VanDerWaalsContact C-N 3.34Å; S983-N985 PolarHBondContact O-N 3.33Å |
| 984 | G | 53.8 | Low | 57.7 | Low | 17 Ų | 17 | 77.8 Ų | 77.8 | 18% | 0.175 | 44% | 0.435 | C | S | . | . | trans | -64.2 | 89.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 985 | N | 53 | Low | 56.8 | Low | 104 Ų | 104 | 79.8 Ų | 79.8 | 56% | 0.556 | 45% | 0.446 | S | S | * | . | trans | -117.1 | 72.4 | 163.5 | -79.8 | 4.9 | 0 | 0 | 0 | 106.9 | S983 F987 T988 | S983-N985 VanDerWaalsContact C-N 3.34Å; S983-N985 PolarHBondContact O-N 3.33Å; N985-F987 PolarHBondContact O-N 3.12Å; N985-T988 PolarHBondContact O-OG1 3.31Å | ||
| 986 | W | 53.2 | Low | 56 | Low | 24 Ų | 24 | 80 Ų | 80 | 9% | 0.091 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -30 | 177.9 | -161.9 | -58.2 | 0 | 0 | 0 | 111.6 | G896 F972 T988 M1123 F1126 | G896-W986 VanDerWaalsContact CA-CE3 3.45Å; F972-W986 HydrophobicContact CD2-CH2 4.23Å; F972-W986 AromaticContact CD2-CZ2 3.83Å; F972-W986 HydrophobicContact CD2-CZ2 3.83Å; F972-W986 HydrophobicContact CE2-CD2 4.46Å; F972-W986 AromaticContact CE2-CE2 3.78Å; F972-W986 AromaticContact CE2-CH2 3.1Å; F972-W986 HydrophobicContact CE2-CH2 3.1Å; F972-W986 AromaticContact CE2-CZ2 3.1Å; F972-W986 HydrophobicContact CE2-CZ2 3.1Å; F972-W986 AromaticContact CE2-CZ3 3.91Å; F972-W986 HydrophobicContact CE2-CZ3 3.91Å; F972-W986 AromaticContact CZ-CH2 3.46Å; F972-W986 HydrophobicContact CZ-CH2 3.46Å; F972-W986 VanDerWaalsContact CZ-CH2 3.46Å; F972-W986 AromaticContact CZ-CZ2 3.81Å; F972-W986 HydrophobicContact CZ-CZ2 3.81Å; F972-W986 HydrophobicContact CZ-CZ3 4.36Å; W986-T988 VanDerWaalsContact C-N 3.3Å; W986-T988 PolarHBondContact O-N 3.22Å; W986-M1123 HydrophobicContact CE3-CG 3.91Å; W986-M1123 HydrophobicContact CE3-SD 4.45Å; W986-M1123 HydrophobicContact CH2-CB 3.2Å; W986-M1123 HydrophobicContact CH2-CE 3.17Å; W986-M1123 HydrophobicContact CH2-CG 3.15Å; W986-M1123 HydrophobicContact CH2-SD 3.7Å; W986-M1123 VanDerWaalsContact CZ2-CA 3.5Å; W986-M1123 HydrophobicContact CZ2-CB 3.46Å; W986-M1123 VanDerWaalsContact CZ2-CB 3.46Å; W986-M1123 HydrophobicContact CZ2-CE 4.42Å; W986-M1123 HydrophobicContact CZ2-CG 3.74Å; W986-M1123 WeakPolarHBondContact CZ2-O 3.31Å; W986-M1123 HydrophobicContact CZ3-CB 3.89Å; W986-M1123 HydrophobicContact CZ3-CE 3.29Å; W986-M1123 HydrophobicContact CZ3-CG 3.24Å; W986-M1123 HydrophobicContact CZ3-SD 3.48Å; W986-M1123 WeakPolarHBondContact CZ3-SD 3.44Å; W986-F1126 AromaticContact CD1-CD1 3.32Å; W986-F1126 AromaticContact CD1-CD2 3.87Å; W986-F1126 AromaticContact CD1-CE1 3.4Å; W986-F1126 AromaticContact CD1-CE2 3.98Å; W986-F1126 AromaticContact CD1-CG 3.52Å; W986-F1126 AromaticContact CD1-CZ 3.74Å; W986-F1126 AromaticContact NE1-CD1 2.82Å; W986-F1126 AromaticContact NE1-CD2 3.97Å; W986-F1126 AromaticContact NE1-CE1 3.36Å; W986-F1126 AromaticContact NE1-CG 3.14Å; W986-F1126 WeakPolarHBondContact O-CZ 3.32Å |
| 987 | F | 48 | Very low | 55.3 | Low | 124 Ų | 124 | 83.4 Ų | 83.4 | 54% | 0.544 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 0.9 | -172.2 | -68.8 | -75.8 | 0 | 0 | 0 | 116.7 | E895 N985 P989 F1126 | E895-F987 VanDerWaalsContact OE2-CE2 3.3Å; E895-F987 WeakPolarHBondContact OE2-CE2 3.46Å; N985-F987 PolarHBondContact O-N 3.12Å; F987-P989 WeakPolarHBondContact O-CD 3.43Å; F987-F1126 HydrophobicContact CD1-CE2 4.49Å |
| 988 | T | 49.2 | Very low | 54.2 | Low | 87 Ų | 87 | 90.2 Ų | 90.2 | 53% | 0.534 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -111.9 | 99.2 | 176.2 | 42.1 | 0 | 0 | 0 | 0 | 110.9 | N985 W986 Q990 | N985-T988 PolarHBondContact O-OG1 3.31Å; W986-T988 VanDerWaalsContact C-N 3.3Å; W986-T988 PolarHBondContact O-N 3.22Å; T988-Q990 PolarHBondContact O-N 3.39Å |
| 989 | P | 45.3 | Very low | 52.8 | Low | 96 Ų | 96 | 100 Ų | 100 | 62% | 0.623 | 50% | 0.504 | S | S | * | . | trans | -58.9 | 114.4 | 172.6 | 22.2 | -30.7 | 0 | 0 | 0 | 109 | F987 L991 | F987-P989 WeakPolarHBondContact O-CD 3.43Å; P989-L991 PolarHBondContact O-N 2.89Å | ||
| 990 | Q | 50.2 | Low | 51.7 | Low | 91 Ų | 91 | 102.8 Ų | 102.8 | 43% | 0.425 | 52% | 0.515 | S | S | . | . | trans | -79 | 106.2 | 173 | -68.8 | -163.5 | -8.7 | 0 | 0 | 108 | T988 V992 | T988-Q990 PolarHBondContact O-N 3.39Å; Q990-V992 PolarHBondContact O-N 3.3Å | ||
| 991 | L | 44.2 | Very low | 50.7 | Low | 158 Ų | 158 | 105.7 Ų | 105.7 | 83% | 0.827 | 53% | 0.53 | S | S | * | . | trans | -52.2 | 128.8 | 166.6 | -135.5 | 95.3 | 0 | 0 | 0 | 107.4 | P989 S993 | P989-L991 PolarHBondContact O-N 2.89Å; L991-S993 PolarHBondContact O-N 2.96Å | ||
| 992 | V | 41.8 | Very low | 50.2 | Low | 88 Ų | 88 | 105.5 Ų | 105.5 | 53% | 0.533 | 53% | 0.529 | S | S | . | . | trans | -56.4 | 86.9 | -179.9 | -177.5 | 0 | 0 | 0 | 0 | 109 | I974 Q990 R994 | I974-V992 HydrophobicContact CB-CG2 4.48Å; Q990-V992 PolarHBondContact O-N 3.3Å; V992-R994 PolarHBondContact O-N 2.98Å | ||
| 993 | S | 42.1 | Very low | 50.7 | Low | 67 Ų | 67 | 104.4 Ų | 104.4 | 47% | 0.469 | 52% | 0.524 | S | S | . | . | trans | -66.5 | 122.6 | 164.9 | 68.5 | 0 | 0 | 0 | 0 | 104.8 | L991 N995 P996 | L991-S993 PolarHBondContact O-N 2.96Å; S993-N995 CarbonylContact O-C 3.51Å; S993-N995 WeakPolarHBondContact O-CA 3.36Å; S993-N995 PolarHBondContact O-N 3.4Å; S993-N995 PolarHBondContact OG-O 2.96Å; S993-P996 VanDerWaalsContact O-N 3.11Å | ||
| 994 | R | 45.8 | Very low | 51.7 | Low | 245 Ų | 245 | 101.3 Ų | 101.3 | 93% | 0.925 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -46.6 | -19.3 | -178.2 | -77.9 | -179.4 | 172.5 | 175.6 | -2.8 | 114.7 | V992 | V992-R994 PolarHBondContact O-N 2.98Š|
| 995 | N | 42.8 | Very low | 53.1 | Low | 132 Ų | 132 | 106.9 Ų | 106.9 | 71% | 0.706 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -116.5 | 95.2 | 162.9 | -69.5 | -35.3 | 0 | 0 | 0 | 108.6 | S993 N997 | S993-N995 CarbonylContact O-C 3.51Å; S993-N995 WeakPolarHBondContact O-CA 3.36Å; S993-N995 PolarHBondContact O-N 3.4Å; S993-N995 PolarHBondContact OG-O 2.96Å; N995-N997 PolarHBondContact O-N 2.92Å |
| 996 | P | 44.6 | Very low | 54.2 | Low | 74 Ų | 74 | 106.9 Ų | 106.9 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | trans | -53.3 | 120.4 | 168.3 | 22.4 | -30.9 | 0 | 0 | 0 | 105.7 | S993 K998 I1001 | S993-P996 VanDerWaalsContact O-N 3.11Å; P996-K998 VanDerWaalsContact C-N 3.31Å; P996-K998 PolarHBondContact O-N 3.29Å; P996-I1001 HydrophobicContact CB-CD1 4.04Å; P996-I1001 HydrophobicContact CG-CD1 4.43Å | ||
| 997 | N | 46 | Very low | 55.6 | Low | 111 Ų | 111 | 111.6 Ų | 111.6 | 59% | 0.594 | 54% | 0.536 | S | S | * | . | trans | -54.6 | 102.7 | -179.3 | -95.6 | -30.7 | 0 | 0 | 0 | 106.7 | N995 R999 Q1000 | N995-N997 PolarHBondContact O-N 2.92Å; N997-R999 PolarHBondContact O-N 2.9Å; N997-Q1000 PolarHBondContact O-N 3.05Å | ||
| 998 | K | 48.3 | Very low | 57.5 | Low | 194 Ų | 194 | 106.1 Ų | 106.1 | 84% | 0.843 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -14.7 | 178.8 | -79.2 | -177.5 | 176.1 | 176.9 | 0 | 112.3 | P996 Q1000 | P996-K998 VanDerWaalsContact C-N 3.31Å; P996-K998 PolarHBondContact O-N 3.29Å; K998-Q1000 VanDerWaalsContact C-N 3.35Å |
| 999 | R | 48.2 | Very low | 59.3 | Low | 217 Ų | 217 | 102.3 Ų | 102.3 | 82% | 0.819 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -19.7 | 173.6 | -68.7 | -174.5 | 174.1 | -176.1 | -0.8 | 115.1 | K982 N997 | K982-R999 WeakPolarHBondContact CE-O 3.14Å; K982-R999 PolarHBondContact NZ-O 2.84Å; N997-R999 PolarHBondContact O-N 2.9Å |
| 1000 | Q | 52.6 | Low | 61.4 | Low | 90 Ų | 90 | 98.8 Ų | 98.8 | 42% | 0.421 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -36.1 | 179.5 | -74.1 | -172.8 | -4.4 | 0 | 0 | 113.7 | N997 K998 T1002 | N997-Q1000 PolarHBondContact O-N 3.05Å; K998-Q1000 VanDerWaalsContact C-N 3.35Å; Q1000-T1002 PolarHBondContact O-N 3.37Å |
| 1001 | I | 56 | Low | 63.3 | Low | 62 Ų | 62 | 94.4 Ų | 94.4 | 32% | 0.318 | 44% | 0.443 | S | S | . | . | trans | -70.4 | 125.6 | 176.4 | -59 | 172.4 | 0 | 0 | 0 | 109 | N979 P996 | N979-I1001 HydrophobicContact CB-CD1 4.44Å; N979-I1001 HydrophobicContact CB-CG1 4.17Å; N979-I1001 HydrophobicContact CB-CG2 4.17Å; P996-I1001 HydrophobicContact CB-CD1 4.04Å; P996-I1001 HydrophobicContact CG-CD1 4.43Å | ||
| 1002 | T | 62.9 | Low | 65.6 | Low | 10 Ų | 10 | 87.4 Ų | 87.4 | 6% | 0.061 | 41% | 0.406 | C | S | . | . | B | Isolated β-bridge | trans | -115 | 153 | 177.4 | 59.3 | 0 | 0 | 0 | 0 | 110.5 | I980 K982 Q1000 | I980-T1002 WeakPolarHBondContact CB-O 3.14Å; I980-T1002 WeakPolarHBondContact CG2-OG1 3.15Å; I980-T1002 PolarHBondContact O-N 3.32Å; I980-T1002 PolarHBondContact O-OG1 3.16Å; K982-T1002 HydrophobicContact CG-CG2 3.95Å; Q1000-T1002 PolarHBondContact O-N 3.37Å |
| 1003 | K | 77.8 | Confident | 67.9 | Low | 131 Ų | 131 | 83.2 Ų | 83.2 | 57% | 0.57 | 38% | 0.38 | S | S | * | . | trans | -82.7 | 161.4 | 165.9 | -67.6 | -170.3 | 174.4 | -168.5 | 0 | 109.4 | R1005 H1008 | K1003-R1005 WeakPolarHBondContact O-CG 3.12Å; K1003-R1005 PolarHBondContact O-N 3.34Å; K1003-H1008 PolarHBondContact O-CE1 3.3Å | ||
| 1004 | L | 81.2 | Confident | 70.2 | Confident | 6 Ų | 6 | 81 Ų | 81 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | trans | -53.8 | 128.6 | 168.9 | -170.8 | 70.7 | 0 | 0 | 0 | 109.5 | F900 F966 V968 I980 H1008 Q1156 L1157 L1169 F1170 | F900-L1004 HydrophobicContact CE1-CD1 4.42Å; F900-L1004 HydrophobicContact CZ-CD1 4.19Å; F900-L1004 HydrophobicContact CZ-CD2 4.2Å; F966-L1004 HydrophobicContact CD1-CD1 4.19Å; V968-L1004 HydrophobicContact CG2-CD1 3.81Å; I980-L1004 HydrophobicContact CD1-CB 4.18Å; I980-L1004 HydrophobicContact CD1-CD1 4.4Å; L1004-H1008 HydrophobicContact CD1-CB 4.03Å; L1004-Q1156 HydrophobicContact CB-CB 4.41Å; L1004-L1157 HydrophobicContact CD2-CD2 3.83Å; L1004-L1169 HydrophobicContact CD2-CD2 3.68Å; L1004-F1170 HydrophobicContact CD2-CE2 4.25Å; L1004-F1170 HydrophobicContact CD2-CZ 4.41Å; L1004-F1170 HydrophobicContact CG-CE2 4.04Å; L1004-F1170 HydrophobicContact CG-CZ 4.01Å | ||
| 1005 | R | 81.5 | Confident | 72.1 | Confident | 134 Ų | 134 | 69.4 Ų | 69.4 | 51% | 0.506 | 32% | 0.319 | S | S | . | . | trans | -139.5 | 164.2 | -172.7 | -78.5 | 172.1 | -174.7 | -166.6 | 3.1 | 109.5 | K1003 I1007 H1008 F1170 | K1003-R1005 WeakPolarHBondContact O-CG 3.12Å; K1003-R1005 PolarHBondContact O-N 3.34Å; R1005-I1007 HydrophobicContact CB-CG1 3.92Å; R1005-I1007 PolarHBondContact O-N 3.34Å; R1005-H1008 PolarHBondContact N-ND1 3.02Å; R1005-H1008 VanDerWaalsContact N-ND1 3.15Å; R1005-H1008 WeakPolarHBondContact O-CB 3.43Å; R1005-H1008 PolarHBondContact O-N 2.59Å; R1005-F1170 VanDerWaalsContact CA-CZ 3.48Å | ||
| 1006 | R | 77.8 | Confident | 74.1 | Confident | 104 Ų | 104 | 65.2 Ų | 65.2 | 39% | 0.392 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -55.3 | -25.4 | 176.1 | -177.4 | 168.9 | 162.2 | -162.4 | -12.1 | 114.4 | H1008 L1009 P1036 F1170 | R1006-H1008 PolarHBondContact O-N 3.47Å; R1006-L1009 PolarHBondContact O-N 2.79Å; R1006-P1036 VanDerWaalsContact CZ-CB 3.5Å; R1006-P1036 VanDerWaalsContact NH2-CG 3.25Å; R1006-F1170 HydrophobicContact CB-CB 4.07Å; R1006-F1170 HydrophobicContact CB-CD1 3.92Å; R1006-F1170 HydrophobicContact CB-CG 4Å; R1006-F1170 HydrophobicContact CG-CB 4.11Å |
| 1007 | I | 81.9 | Confident | 76 | Confident | 122 Ų | 122 | 61.7 Ų | 61.7 | 63% | 0.626 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -67.9 | -18.3 | 175.6 | 59.7 | 164.8 | 0 | 0 | 0 | 113.5 | R1005 | R1005-I1007 HydrophobicContact CB-CG1 3.92Å; R1005-I1007 PolarHBondContact O-N 3.34Å |
| 1008 | H | 86.9 | Confident | 77.8 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -88.4 | -15.4 | 178.2 | -54.7 | 143.7 | 0 | 0 | 0 | 112.1 | F966 R967 V968 K1003 L1004 R1005 R1006 I1010 | F966-H1008 CarbonylContact C-O 3.52Å; F966-H1008 WeakPolarHBondContact CA-O 3.49Å; F966-H1008 HydrophobicContact CD1-CB 4.34Å; R967-H1008 PolarHBondContact N-O 2.67Å; R967-H1008 WeakPolarHBondContact O-CA 3.44Å; R967-H1008 WeakPolarHBondContact O-CB 3.32Å; V968-H1008 HydrophobicContact CG2-CB 4.32Å; K1003-H1008 PolarHBondContact O-CE1 3.3Å; L1004-H1008 HydrophobicContact CD1-CB 4.03Å; R1005-H1008 PolarHBondContact N-ND1 3.02Å; R1005-H1008 VanDerWaalsContact N-ND1 3.15Å; R1005-H1008 WeakPolarHBondContact O-CB 3.43Å; R1005-H1008 PolarHBondContact O-N 2.59Å; R1006-H1008 PolarHBondContact O-N 3.47Å; H1008-I1010 PolarHBondContact O-N 3.12Å |
| 1009 | L | 88.6 | Confident | 79 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 116.6 | 171.2 | -178.6 | 68.2 | 0 | 0 | 0 | 107.5 | Q964 F966 R1006 S1011 P1035 I1037 | Q964-L1009 HydrophobicContact CB-CD1 3.72Å; Q964-L1009 HydrophobicContact CG-CD1 4.21Å; F966-L1009 HydrophobicContact CD1-CB 4.15Å; F966-L1009 HydrophobicContact CD1-CD1 4.31Å; F966-L1009 HydrophobicContact CE1-CB 3.75Å; F966-L1009 HydrophobicContact CE1-CD1 3.84Å; F966-L1009 HydrophobicContact CE1-CG 4.39Å; F966-L1009 HydrophobicContact CE2-CD1 4.24Å; F966-L1009 HydrophobicContact CZ-CB 4.49Å; F966-L1009 HydrophobicContact CZ-CD1 3.82Å; R1006-L1009 PolarHBondContact O-N 2.79Å; L1009-S1011 WeakPolarHBondContact CD1-O 3.41Å; L1009-P1035 HydrophobicContact CB-CG 4.47Å; L1009-P1035 HydrophobicContact CD2-CB 4.13Å; L1009-P1035 HydrophobicContact CD2-CG 4.29Å; L1009-P1035 HydrophobicContact CG-CB 4.37Å; L1009-P1035 HydrophobicContact CG-CG 4.01Å; L1009-P1035 WeakPolarHBondContact O-CG 3.44Å; L1009-I1037 HydrophobicContact CD2-CD1 4.37Å; L1009-I1037 HydrophobicContact CD2-CG1 4.2Å |
| 1010 | I | 88.5 | Confident | 80.2 | Confident | 22 Ų | 22 | 44.7 Ų | 44.7 | 11% | 0.113 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -36 | -179.2 | 52.6 | 161.3 | 0 | 0 | 0 | 112.5 | L891 I965 R967 H1008 P1035 | L891-I1010 HydrophobicContact CB-CD1 4.32Å; L891-I1010 HydrophobicContact CD1-CD1 4.47Å; L891-I1010 HydrophobicContact CD2-CD1 4.03Å; I965-I1010 HydrophobicContact CB-CG1 4.22Å; I965-I1010 HydrophobicContact CG2-CD1 3.81Å; I965-I1010 HydrophobicContact CG2-CG1 3.96Å; I965-I1010 WeakPolarHBondContact O-CG1 3.23Å; I965-I1010 PolarHBondContact O-N 2.77Å; R967-I1010 HydrophobicContact CB-CB 4.42Å; R967-I1010 HydrophobicContact CB-CD1 4.2Å; R967-I1010 HydrophobicContact CB-CG1 4.26Å; R967-I1010 HydrophobicContact CB-CG2 3.35Å; R967-I1010 HydrophobicContact CG-CG2 4.37Å; H1008-I1010 PolarHBondContact O-N 3.12Å; I1010-P1035 WeakPolarHBondContact O-CD 3.49Å; I1010-P1035 WeakPolarHBondContact O-CG 3.33Å |
| 1011 | S | 90.3 | Very high | 81.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 164.6 | -179.6 | 60.5 | 0 | 0 | 0 | 0 | 110.2 | I965 L1009 L1033 | I965-S1011 PolarHBondContact N-O 2.78Å; I965-S1011 PolarHBondContact O-N 2.98Å; L1009-S1011 WeakPolarHBondContact CD1-O 3.41Å; S1011-L1033 CarbonylContact C-O 3.57Å; S1011-L1033 WeakPolarHBondContact CA-O 3.33Å; S1011-L1033 WeakPolarHBondContact CB-O 3.16Å |
| 1012 | W | 91.7 | Very high | 82.5 | Confident | 10 Ų | 10 | 37.5 Ų | 37.5 | 4% | 0.038 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 159.5 | 174.2 | 64.5 | -72.9 | 0 | 0 | 0 | 109.7 | I963 F1014 L1033 K1034 I1037 L1042 | I963-W1012 CarbonylContact O-C 3.16Å; I963-W1012 WeakPolarHBondContact O-CA 3.45Å; I963-W1012 WeakPolarHBondContact O-CB 3.46Å; W1012-F1014 HydrophobicContact CH2-CD1 4.3Å; W1012-F1014 HydrophobicContact CZ3-CB 4.29Å; W1012-F1014 AromaticContact CZ3-CD1 3.81Å; W1012-F1014 HydrophobicContact CZ3-CD1 3.81Å; W1012-F1014 HydrophobicContact CZ3-CG 4.41Å; W1012-L1033 VanDerWaalsContact CD1-O 3.26Å; W1012-L1033 HydrophobicContact CD2-CB 4.18Å; W1012-L1033 HydrophobicContact CD2-CD1 4.24Å; W1012-L1033 HydrophobicContact CE3-CD1 4.27Å; W1012-L1033 HydrophobicContact CG-CB 4.36Å; W1012-L1033 HydrophobicContact CH2-CD1 3.59Å; W1012-L1033 HydrophobicContact CZ2-CB 4.11Å; W1012-L1033 HydrophobicContact CZ2-CD1 3.54Å; W1012-L1033 HydrophobicContact CZ2-CG 4.49Å; W1012-L1033 HydrophobicContact CZ3-CD1 3.97Å; W1012-L1033 PolarHBondContact N-O 2.73Å; W1012-L1033 WeakPolarHBondContact O-CA 3.23Å; W1012-L1033 WeakPolarHBondContact O-CB 3.18Å; W1012-L1033 PolarHBondContact O-N 2.93Å; W1012-K1034 PolarHBondContact NE1-O 3.44Å; W1012-K1034 VanDerWaalsContact NE1-O 3.11Å; W1012-I1037 HydrophobicContact CB-CD1 3.82Å; W1012-I1037 HydrophobicContact CB-CG1 4.27Å; W1012-I1037 HydrophobicContact CD2-CD1 3.82Å; W1012-I1037 HydrophobicContact CD2-CG1 3.67Å; W1012-I1037 HydrophobicContact CD2-CG2 4.39Å; W1012-I1037 HydrophobicContact CE3-CD1 4.08Å; W1012-I1037 HydrophobicContact CE3-CG1 4.25Å; W1012-I1037 HydrophobicContact CE3-CG2 4.28Å; W1012-I1037 HydrophobicContact CG-CD1 3.7Å; W1012-I1037 HydrophobicContact CG-CG1 3.65Å; W1012-I1037 HydrophobicContact CH2-CG2 4.24Å; W1012-I1037 HydrophobicContact CZ2-CG2 4.35Å; W1012-I1037 HydrophobicContact CZ3-CG2 4.2Å; W1012-L1042 HydrophobicContact CH2-CD2 4.28Å; W1012-L1042 HydrophobicContact CZ3-CD2 4.04Å |
| 1013 | S | 90.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 167.8 | 172.5 | -159.4 | 0 | 0 | 0 | 0 | 110.1 | I963 L1030 C1031 | I963-S1013 PolarHBondContact N-O 3.28Å; I963-S1013 PolarHBondContact O-N 2.96Å; S1013-L1030 VanDerWaalsContact OG-CB 3.26Å; S1013-L1030 WeakPolarHBondContact OG-CB 3.38Å; S1013-C1031 WeakPolarHBondContact CB-O 3.24Å; S1013-C1031 PolarHBondContact OG-O 3.45Å |
| 1014 | F | 89.2 | Confident | 83.5 | Confident | 20 Ų | 20 | 34.8 Ų | 34.8 | 9% | 0.088 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 155.6 | 175.4 | 72.2 | -82.4 | 0 | 0 | 0 | 111.2 | L961 I962 W1012 L1033 I1045 L1056 H1093 | L961-F1014 CarbonylContact O-C 3.55Å; L961-F1014 WeakPolarHBondContact O-CA 3.46Å; I962-F1014 HydrophobicContact CG1-CB 4.37Å; W1012-F1014 HydrophobicContact CH2-CD1 4.3Å; W1012-F1014 HydrophobicContact CZ3-CB 4.29Å; W1012-F1014 AromaticContact CZ3-CD1 3.81Å; W1012-F1014 HydrophobicContact CZ3-CD1 3.81Å; W1012-F1014 HydrophobicContact CZ3-CG 4.41Å; F1014-L1033 HydrophobicContact CD1-CD1 3.97Å; F1014-L1033 HydrophobicContact CE1-CD1 3.91Å; F1014-I1045 HydrophobicContact CD1-CD1 4.34Å; F1014-I1045 HydrophobicContact CD2-CD1 4.36Å; F1014-I1045 HydrophobicContact CD2-CG2 4.02Å; F1014-I1045 HydrophobicContact CE1-CD1 3.94Å; F1014-I1045 HydrophobicContact CE2-CD1 3.95Å; F1014-I1045 HydrophobicContact CE2-CG1 4.39Å; F1014-I1045 HydrophobicContact CE2-CG2 3.61Å; F1014-I1045 HydrophobicContact CZ-CD1 3.72Å; F1014-I1045 HydrophobicContact CZ-CG1 4.34Å; F1014-I1045 HydrophobicContact CZ-CG2 4.35Å; F1014-L1056 HydrophobicContact CE1-CD1 3.84Å; F1014-L1056 HydrophobicContact CZ-CD1 4.3Å; F1014-H1093 AromaticContact CE1-CE1 3.77Å; F1014-H1093 AromaticContact CE2-CE1 3.7Å; F1014-H1093 AromaticContact CZ-CE1 3.48Å; F1014-H1093 VanDerWaalsContact CZ-CE1 3.48Å; F1014-H1093 WeakPolarHBondContact CZ-CE1 3.29Å; F1014-H1093 AromaticContact CZ-ND1 3.96Å; F1014-H1093 PolarHBondContact O-CE1 3.17Å; F1014-H1093 VanDerWaalsContact O-CE1 3.31Å; F1014-H1093 PolarHBondContact O-NE2 3.3Å |
| 1015 | L | 87.5 | Confident | 83.4 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 134.9 | 173.2 | 179.1 | 63.7 | 0 | 0 | 0 | 108.9 | L961 L1017 H1028 L1030 I1069 L1071 | L961-L1015 HydrophobicContact CB-CB 4.46Å; L961-L1015 PolarHBondContact N-O 3Å; L961-L1015 PolarHBondContact O-N 3.29Å; L1015-L1017 PolarHBondContact O-N 3.34Å; L1015-H1028 HydrophobicContact CD2-CB 4.4Å; L1015-L1030 HydrophobicContact CB-CD1 4.33Å; L1015-L1030 HydrophobicContact CB-CD2 4.4Å; L1015-L1030 HydrophobicContact CD1-CD2 4.21Å; L1015-I1069 HydrophobicContact CD2-CD1 3.9Å; L1015-L1071 HydrophobicContact CD2-CD1 3.67Å |
| 1016 | R | 84.1 | Confident | 83.2 | Confident | 44 Ų | 44 | 30 Ų | 30 | 17% | 0.166 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 120.9 | 168.2 | -169.3 | -176 | -169.8 | 130 | 5.3 | 108.4 | S957 N958 L960 R1024 | S957-R1016 PolarHBondContact O-NE 3.13Å; S957-R1016 PolarHBondContact O-NH2 3.37Å; N958-R1016 PolarHBondContact OD1-NH2 3.1Å; L960-R1016 HydrophobicContact CD2-CB 4.26Å; L960-R1016 HydrophobicContact CD2-CG 4.49Å; R1016-R1024 VanDerWaalsContact O-CD 3.3Å; R1016-R1024 WeakPolarHBondContact O-CD 3.47Å |
| 1017 | L | 84.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -72.8 | -42.7 | -170.9 | -80.7 | 170.6 | 0 | 0 | 0 | 112.9 | F881 V905 A959 L961 L1015 L1023 R1024 L1071 | F881-L1017 HydrophobicContact CE1-CD1 4.25Å; F881-L1017 HydrophobicContact CE1-CD2 4.07Å; F881-L1017 HydrophobicContact CE2-CD2 4.25Å; F881-L1017 HydrophobicContact CZ-CD1 4.14Å; F881-L1017 HydrophobicContact CZ-CD2 3.63Å; V905-L1017 HydrophobicContact CB-CD1 4.2Å; V905-L1017 HydrophobicContact CG1-CD1 3.42Å; V905-L1017 VanDerWaalsContact CG1-CD1 3.42Å; V905-L1017 HydrophobicContact CG2-CD1 3.79Å; A959-L1017 HydrophobicContact CB-CD1 4.38Å; A959-L1017 PolarHBondContact O-N 3.31Å; L961-L1017 HydrophobicContact CB-CD1 4.15Å; L961-L1017 HydrophobicContact CB-CD2 3.67Å; L961-L1017 HydrophobicContact CB-CG 3.75Å; L961-L1017 HydrophobicContact CD2-CD2 4.18Å; L961-L1017 HydrophobicContact CG-CD2 4.42Å; L1015-L1017 PolarHBondContact O-N 3.34Å; L1017-L1023 HydrophobicContact CD2-CD1 4.37Å; L1017-R1024 PolarHBondContact O-N 3.3Å; L1017-R1024 VanDerWaalsContact O-N 3.1Å; L1017-L1071 HydrophobicContact CD2-CD1 4.36Å | ||
| 1018 | F | 83.8 | Confident | 83.7 | Confident | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.5 | -169.8 | -51.9 | -64.8 | 0 | 0 | 0 | 112.4 | Y875 P953 Y955 D956 A959 F1022 L1023 | Y875-F1018 HydrophobicContact CD1-CD1 4.2Å; Y875-F1018 AromaticContact CD1-CE1 3.4Å; Y875-F1018 HydrophobicContact CD1-CE1 3.4Å; Y875-F1018 HydrophobicContact CD1-CE2 4.47Å; Y875-F1018 AromaticContact CD1-CZ 3.54Å; Y875-F1018 HydrophobicContact CD1-CZ 3.54Å; Y875-F1018 HydrophobicContact CD2-CD1 4.49Å; Y875-F1018 AromaticContact CD2-CE1 3.5Å; Y875-F1018 HydrophobicContact CD2-CE1 3.5Å; Y875-F1018 HydrophobicContact CD2-CZ 4.09Å; Y875-F1018 AromaticContact CE1-CE1 3.87Å; Y875-F1018 HydrophobicContact CE1-CE1 3.87Å; Y875-F1018 HydrophobicContact CE1-CE2 4.48Å; Y875-F1018 AromaticContact CE1-CZ 3.55Å; Y875-F1018 HydrophobicContact CE1-CZ 3.55Å; Y875-F1018 AromaticContact CE2-CE1 3.96Å; Y875-F1018 HydrophobicContact CE2-CE1 3.96Å; Y875-F1018 HydrophobicContact CE2-CZ 4.11Å; Y875-F1018 AromaticContact CG-CD1 3.92Å; Y875-F1018 HydrophobicContact CG-CD1 3.92Å; Y875-F1018 AromaticContact CG-CE1 3.18Å; Y875-F1018 HydrophobicContact CG-CE1 3.18Å; Y875-F1018 AromaticContact CG-CZ 3.81Å; Y875-F1018 HydrophobicContact CG-CZ 3.81Å; Y875-F1018 AromaticContact CZ-CZ 3.84Å; P953-F1018 HydrophobicContact CG-CZ 4.29Å; Y955-F1018 HydrophobicContact CD2-CB 4.04Å; Y955-F1018 HydrophobicContact CD2-CD1 4.33Å; Y955-F1018 AromaticContact CD2-CD2 3.99Å; Y955-F1018 HydrophobicContact CD2-CD2 3.99Å; Y955-F1018 AromaticContact CD2-CG 3.86Å; Y955-F1018 HydrophobicContact CD2-CG 3.86Å; Y955-F1018 HydrophobicContact CE2-CB 3.73Å; Y955-F1018 HydrophobicContact CE2-CD2 4.43Å; Y955-F1018 HydrophobicContact CE2-CG 4.09Å; D956-F1018 WeakPolarHBondContact O-CD2 3.19Å; A959-F1018 HydrophobicContact CB-CD2 3.98Å; A959-F1018 HydrophobicContact CB-CE2 4.02Å; F1018-F1022 CarbonylContact C-O 3.38Å; F1018-F1022 VanDerWaalsContact CA-O 3.23Å; F1018-F1022 WeakPolarHBondContact CA-O 3.4Å; F1018-L1023 HydrophobicContact CD1-CD1 4.38Å; F1018-L1023 HydrophobicContact CE1-CD1 3.98Å |
| 1019 | D | 74.6 | Confident | 83.6 | Confident | 46 Ų | 46 | 23.6 Ų | 23.6 | 25% | 0.246 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 116 | 166.9 | -76.3 | -34.4 | 0 | 0 | 0 | 108.4 | G1021 F1022 R1024 | D1019-G1021 PolarHBondContact O-N 2.73Å; D1019-F1022 PolarHBondContact N-O 2.92Å; D1019-F1022 WeakPolarHBondContact O-CB 3.26Å; D1019-F1022 WeakPolarHBondContact O-CD2 3.38Å; D1019-F1022 PolarHBondContact O-N 3.4Å; D1019-R1024 IonicContact OD1-NH2 3.1Å; D1019-R1024 IonicContact OD2-CZ 2.98Å; D1019-R1024 IonicContact OD2-NE 2.74Å; D1019-R1024 PolarHBondContact OD2-NE 3.09Å; D1019-R1024 IonicContact OD2-NH2 3.48Å; D1019-R1024 PolarHBondContact OD2-NH2 3.49Å |
| 1020 | W | 71.5 | Confident | 83.6 | Confident | 118 Ų | 118 | 23.3 Ų | 23.3 | 45% | 0.447 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 31.5 | 177.5 | -64.6 | 89.8 | 0 | 0 | 0 | 114.6 | R825 F1022 | R825-W1020 HydrophobicContact CG-CH2 3.79Å; R825-W1020 HydrophobicContact CG-CZ2 3.64Å; R825-W1020 HydrophobicContact CG-CZ3 4.43Å; W1020-F1022 VanDerWaalsContact C-N 3.31Å; W1020-F1022 HydrophobicContact CB-CD2 4.29Å; W1020-F1022 WeakPolarHBondContact O-CD2 3.24Å |
| 1021 | G | 78 | Confident | 83.5 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 2.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | F874 Y875 Y955 D1019 | F874-G1021 VanDerWaalsContact CD2-C 3.42Å; F874-G1021 WeakPolarHBondContact CD2-O 3.28Å; F874-G1021 WeakPolarHBondContact CE2-O 3.42Å; F874-G1021 WeakPolarHBondContact CG-O 2.97Å; Y875-G1021 WeakPolarHBondContact CB-O 3.17Å; Y875-G1021 PolarHBondContact N-O 3.23Å; Y955-G1021 PolarHBondContact OH-N 3.15Å; Y955-G1021 VanDerWaalsContact OH-N 3.15Å; D1019-G1021 PolarHBondContact O-N 2.73Å |
| 1022 | F | 80.7 | Confident | 83.5 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.009 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 138.5 | 170.4 | -60.9 | -83.6 | 0 | 0 | 0 | 110.5 | D682 N683 L755 T756 P872 F874 F1018 D1019 W1020 | D682-F1022 HydrophobicContact CB-CE1 3.94Å; D682-F1022 WeakPolarHBondContact O-CZ 3.43Å; N683-F1022 HydrophobicContact CB-CE1 4.1Å; N683-F1022 HydrophobicContact CB-CZ 4.31Å; L755-F1022 HydrophobicContact CB-CE2 4.28Å; L755-F1022 HydrophobicContact CD2-CE2 3.71Å; L755-F1022 HydrophobicContact CD2-CZ 4.03Å; L755-F1022 HydrophobicContact CG-CE2 4.09Å; T756-F1022 HydrophobicContact CG2-CB 4.15Å; T756-F1022 HydrophobicContact CG2-CD2 3.91Å; T756-F1022 HydrophobicContact CG2-CG 4.04Å; P872-F1022 HydrophobicContact CB-CB 3.99Å; P872-F1022 HydrophobicContact CB-CD1 3.89Å; P872-F1022 HydrophobicContact CB-CG 4.21Å; P872-F1022 WeakPolarHBondContact O-CD1 3.14Å; P872-F1022 VanDerWaalsContact O-CE1 3.24Å; P872-F1022 WeakPolarHBondContact O-CE1 3.48Å; F874-F1022 HydrophobicContact CB-CD1 4.47Å; F874-F1022 HydrophobicContact CB-CE1 4.27Å; F874-F1022 HydrophobicContact CD2-CE1 4.38Å; F874-F1022 HydrophobicContact CD2-CE2 4.46Å; F874-F1022 HydrophobicContact CD2-CZ 4.35Å; F1018-F1022 CarbonylContact C-O 3.38Å; F1018-F1022 VanDerWaalsContact CA-O 3.23Å; F1018-F1022 WeakPolarHBondContact CA-O 3.4Å; D1019-F1022 PolarHBondContact N-O 2.92Å; D1019-F1022 WeakPolarHBondContact O-CB 3.26Å; D1019-F1022 WeakPolarHBondContact O-CD2 3.38Å; D1019-F1022 PolarHBondContact O-N 3.4Å; W1020-F1022 VanDerWaalsContact C-N 3.31Å; W1020-F1022 HydrophobicContact CB-CD2 4.29Å; W1020-F1022 WeakPolarHBondContact O-CD2 3.24Å |
| 1023 | L | 82.8 | Confident | 83.3 | Confident | 9 Ų | 9 | 23.3 Ų | 23.3 | 5% | 0.047 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 139.9 | 165.6 | -178.6 | 73 | 0 | 0 | 0 | 108.7 | F881 L1017 F1018 N1025 L1071 | F881-L1023 HydrophobicContact CB-CD1 4.26Å; F881-L1023 HydrophobicContact CB-CD2 3.47Å; F881-L1023 VanDerWaalsContact CB-CD2 3.47Å; F881-L1023 HydrophobicContact CD1-CD1 3.85Å; F881-L1023 HydrophobicContact CD2-CD1 4.48Å; F881-L1023 HydrophobicContact CE1-CD1 4.28Å; F881-L1023 HydrophobicContact CG-CD1 3.97Å; F881-L1023 HydrophobicContact CG-CD2 4.06Å; L1017-L1023 HydrophobicContact CD2-CD1 4.37Å; F1018-L1023 HydrophobicContact CD1-CD1 4.38Å; F1018-L1023 HydrophobicContact CE1-CD1 3.98Å; L1023-N1025 PolarHBondContact O-N 2.98Å; L1023-L1071 HydrophobicContact CD1-CD1 4.48Å; L1023-L1071 HydrophobicContact CD2-CB 4.47Å |
| 1024 | R | 78.6 | Confident | 83.2 | Confident | 75 Ų | 75 | 27.2 Ų | 27.2 | 28% | 0.283 | 12% | 0.124 | S | C | . | . | trans | -68.7 | 72.7 | 166.1 | -69.9 | -166 | 175.3 | -174.1 | -3.6 | 110.8 | R1016 L1017 D1019 H1028 L1071 | R1016-R1024 VanDerWaalsContact O-CD 3.3Å; R1016-R1024 WeakPolarHBondContact O-CD 3.47Å; L1017-R1024 PolarHBondContact O-N 3.3Å; L1017-R1024 VanDerWaalsContact O-N 3.1Å; D1019-R1024 IonicContact OD1-NH2 3.1Å; D1019-R1024 IonicContact OD2-CZ 2.98Å; D1019-R1024 IonicContact OD2-NE 2.74Å; D1019-R1024 PolarHBondContact OD2-NE 3.09Å; D1019-R1024 IonicContact OD2-NH2 3.48Å; D1019-R1024 PolarHBondContact OD2-NH2 3.49Å; R1024-H1028 PolarHBondContact O-NE2 2.92Å; R1024-L1071 WeakPolarHBondContact O-CB 3.35Å; R1024-L1071 WeakPolarHBondContact O-CD1 3.45Å | ||
| 1025 | N | 78 | Confident | 82.9 | Confident | 33 Ų | 33 | 28.5 Ų | 28.5 | 18% | 0.176 | 13% | 0.134 | C | C | . | . | trans | -63.4 | 151.6 | -179.6 | -161.3 | 27.5 | 0 | 0 | 0 | 111.2 | A870 F871 L1023 L1071 Q1072 | A870-N1025 PolarHBondContact O-ND2 2.89Å; F871-N1025 PolarHBondContact O-ND2 3.32Å; L1023-N1025 PolarHBondContact O-N 2.98Å; N1025-L1071 PolarHBondContact OD1-O 3.33Å; N1025-Q1072 VanDerWaalsContact OD1-CA 3.28Å; N1025-Q1072 WeakPolarHBondContact OD1-CA 3.36Å | ||
| 1026 | G | 77.8 | Confident | 82.7 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 6% | 0.062 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 103.5 | -168.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | H1028 Q1070 L1071 | G1026-H1028 PolarHBondContact O-CD2 3.4Å; G1026-H1028 VanDerWaalsContact O-CD2 3.26Å; G1026-Q1070 WeakPolarHBondContact O-CA 3.5Å; G1026-L1071 PolarHBondContact N-O 3.17Å; G1026-L1071 PolarHBondContact O-N 2.83Å |
| 1027 | T | 83.9 | Confident | 82.7 | Confident | 30 Ų | 30 | 28.2 Ų | 28.2 | 18% | 0.184 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 130.6 | -178.3 | -53.1 | 0 | 0 | 0 | 0 | 110 | T1068 I1069 P1089 Y1090 | T1027-T1068 HydrophobicContact CG2-CG2 3.45Å; T1027-T1068 VanDerWaalsContact CG2-CG2 3.45Å; T1027-I1069 CarbonylContact C-O 3.43Å; T1027-I1069 WeakPolarHBondContact CA-O 3.27Å; T1027-P1089 HydrophobicContact CG2-CB 3.99Å; T1027-P1089 CarbonylContact O-C 3.37Å; T1027-P1089 VanDerWaalsContact O-CA 3.3Å; T1027-P1089 WeakPolarHBondContact O-CA 3.3Å; T1027-Y1090 PolarHBondContact O-N 3.46Å |
| 1028 | H | 85.3 | Confident | 82.6 | Confident | 7 Ų | 7 | 35 Ų | 35 | 3% | 0.032 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.1 | 179.9 | -62.1 | -91.5 | 0 | 0 | 0 | 110 | L1015 R1024 G1026 L1030 T1068 I1069 Y1090 | L1015-H1028 HydrophobicContact CD2-CB 4.4Å; R1024-H1028 PolarHBondContact O-NE2 2.92Å; G1026-H1028 PolarHBondContact O-CD2 3.4Å; G1026-H1028 VanDerWaalsContact O-CD2 3.26Å; H1028-L1030 HydrophobicContact CB-CD2 3.98Å; H1028-T1068 WeakPolarHBondContact O-CA 3.43Å; H1028-I1069 HydrophobicContact CB-CG1 3.91Å; H1028-I1069 PolarHBondContact N-O 3.3Å; H1028-I1069 PolarHBondContact O-N 3.25Å; H1028-Y1090 CarbonylContact C-O 3.13Å; H1028-Y1090 WeakPolarHBondContact CA-O 3.13Å |
| 1029 | K | 86.3 | Confident | 82.4 | Confident | 63 Ų | 63 | 38.2 Ų | 38.2 | 27% | 0.274 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 115.1 | 170.5 | -166.4 | 172.4 | -179.4 | -175.7 | 0 | 108.8 | S1066 P1089 Y1090 | K1029-S1066 VanDerWaalsContact CE-OG 3.25Å; K1029-S1066 WeakPolarHBondContact CE-OG 3.49Å; K1029-P1089 HydrophobicContact CB-CB 4.13Å; K1029-Y1090 PolarHBondContact N-O 3.28Å |
| 1030 | L | 88.3 | Confident | 82.6 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 145.8 | -176 | -46.1 | -177.4 | 0 | 0 | 0 | 110.8 | I963 S1013 L1015 H1028 S1066 L1067 I1069 S1092 | I963-L1030 HydrophobicContact CD1-CD1 4.38Å; S1013-L1030 VanDerWaalsContact OG-CB 3.26Å; S1013-L1030 WeakPolarHBondContact OG-CB 3.38Å; L1015-L1030 HydrophobicContact CB-CD1 4.33Å; L1015-L1030 HydrophobicContact CB-CD2 4.4Å; L1015-L1030 HydrophobicContact CD1-CD2 4.21Å; H1028-L1030 HydrophobicContact CB-CD2 3.98Å; L1030-S1066 WeakPolarHBondContact O-CA 3.22Å; L1030-L1067 HydrophobicContact CB-CB 4.45Å; L1030-L1067 PolarHBondContact N-O 3.26Å; L1030-L1067 PolarHBondContact O-N 3.43Å; L1030-I1069 HydrophobicContact CD1-CD1 3.78Å; L1030-I1069 HydrophobicContact CD1-CG1 4.18Å; L1030-I1069 HydrophobicContact CG-CD1 4.46Å; L1030-I1069 HydrophobicContact CG-CG1 4.42Å; L1030-S1092 WeakPolarHBondContact CD2-OG 3.46Å |
| 1031 | C | 86.4 | Confident | 82.9 | Confident | 27 Ų | 27 | 40.7 Ų | 40.7 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 147 | 169.6 | -58.2 | 0 | 0 | 0 | 0 | 110.3 | S1013 F1061 H1093 | S1013-C1031 WeakPolarHBondContact CB-O 3.24Å; S1013-C1031 PolarHBondContact OG-O 3.45Å; C1031-F1061 HydrophobicContact CB-CD1 3.76Å; C1031-F1061 HydrophobicContact CB-CE1 3.85Å; C1031-H1093 HydrophobicContact CB-CB 4.22Å |
| 1032 | L | 89.4 | Confident | 83.1 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 130.1 | 174.2 | -74.1 | 174.6 | 0 | 0 | 0 | 110.9 | L891 I965 L1062 A1065 L1067 | L891-L1032 HydrophobicContact CD2-CD1 3.61Å; I965-L1032 HydrophobicContact CD1-CD1 4.06Å; I965-L1032 HydrophobicContact CD1-CD2 3.6Å; I965-L1032 HydrophobicContact CG1-CD2 4.38Å; L1032-L1062 HydrophobicContact CB-CB 4.2Å; L1032-L1062 HydrophobicContact CB-CD2 4.43Å; L1032-L1062 WeakPolarHBondContact O-CB 3.15Å; L1032-L1062 PolarHBondContact O-N 3.29Å; L1032-A1065 HydrophobicContact CB-CB 4.17Å; L1032-A1065 HydrophobicContact CD1-CB 3.98Å; L1032-A1065 PolarHBondContact N-O 2.76Å; L1032-L1067 HydrophobicContact CD2-CB 3.91Å; L1032-L1067 HydrophobicContact CD2-CD2 4.32Å; L1032-L1067 HydrophobicContact CG-CB 4.15Å |
| 1033 | L | 88.9 | Confident | 83.1 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 143.1 | -179.6 | -60.1 | 171.8 | 0 | 0 | 0 | 110.8 | S1011 W1012 F1014 L1056 S1060 F1061 | S1011-L1033 CarbonylContact C-O 3.57Å; S1011-L1033 WeakPolarHBondContact CA-O 3.33Å; S1011-L1033 WeakPolarHBondContact CB-O 3.16Å; W1012-L1033 VanDerWaalsContact CD1-O 3.26Å; W1012-L1033 HydrophobicContact CD2-CB 4.18Å; W1012-L1033 HydrophobicContact CD2-CD1 4.24Å; W1012-L1033 HydrophobicContact CE3-CD1 4.27Å; W1012-L1033 HydrophobicContact CG-CB 4.36Å; W1012-L1033 HydrophobicContact CH2-CD1 3.59Å; W1012-L1033 HydrophobicContact CZ2-CB 4.11Å; W1012-L1033 HydrophobicContact CZ2-CD1 3.54Å; W1012-L1033 HydrophobicContact CZ2-CG 4.49Å; W1012-L1033 HydrophobicContact CZ3-CD1 3.97Å; W1012-L1033 PolarHBondContact N-O 2.73Å; W1012-L1033 WeakPolarHBondContact O-CA 3.23Å; W1012-L1033 WeakPolarHBondContact O-CB 3.18Å; W1012-L1033 PolarHBondContact O-N 2.93Å; F1014-L1033 HydrophobicContact CD1-CD1 3.97Å; F1014-L1033 HydrophobicContact CE1-CD1 3.91Å; L1033-L1056 HydrophobicContact CD1-CD1 3.77Å; L1033-L1056 HydrophobicContact CD2-CD1 3.86Å; L1033-L1056 HydrophobicContact CG-CD1 4.47Å; L1033-S1060 CarbonylContact C-O 3.1Å; L1033-S1060 WeakPolarHBondContact CA-O 3.29Å; L1033-F1061 HydrophobicContact CD2-CD1 3.55Å; L1033-F1061 HydrophobicContact CD2-CE1 3.6Å; L1033-F1061 HydrophobicContact CD2-CG 4.17Å; L1033-F1061 HydrophobicContact CD2-CZ 4.24Å |
| 1034 | K | 86.9 | Confident | 82.9 | Confident | 83 Ų | 83 | 49.9 Ų | 49.9 | 36% | 0.361 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -70.2 | 141.3 | 174.4 | -66.2 | 176.3 | -172.4 | 147.6 | 0 | 110.2 | W1012 D1059 S1060 F1061 L1062 | W1012-K1034 PolarHBondContact NE1-O 3.44Å; W1012-K1034 VanDerWaalsContact NE1-O 3.11Å; K1034-D1059 WeakPolarHBondContact CD-O 3.18Å; K1034-D1059 PolarHBondContact NZ-O 3.39Å; K1034-S1060 PolarHBondContact N-O 3.24Å; K1034-F1061 WeakPolarHBondContact CE-O 3.29Å; K1034-F1061 PolarHBondContact NZ-O 3.1Å; K1034-L1062 HydrophobicContact CG-CD1 4.23Å |
| 1035 | P | 84.8 | Confident | 82.9 | Confident | 47 Ų | 47 | 47.3 Ų | 47.3 | 31% | 0.305 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -61.2 | 152.8 | 169.9 | -18.1 | 27.6 | 0 | 0 | 0 | 111.1 | L1009 I1010 | L1009-P1035 HydrophobicContact CB-CG 4.47Å; L1009-P1035 HydrophobicContact CD2-CB 4.13Å; L1009-P1035 HydrophobicContact CD2-CG 4.29Å; L1009-P1035 HydrophobicContact CG-CB 4.37Å; L1009-P1035 HydrophobicContact CG-CG 4.01Å; L1009-P1035 WeakPolarHBondContact O-CG 3.44Å; I1010-P1035 WeakPolarHBondContact O-CD 3.49Å; I1010-P1035 WeakPolarHBondContact O-CG 3.33Å |
| 1036 | P | 82.5 | Confident | 83 | Confident | 39 Ų | 39 | 46.4 Ų | 46.4 | 25% | 0.253 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | cis | -98.8 | 162.2 | 8.3 | 38.4 | -37 | 0 | 0 | 0 | 115.3 | R1006 R1038 | R1006-P1036 VanDerWaalsContact CZ-CB 3.5Å; R1006-P1036 VanDerWaalsContact NH2-CG 3.25Å; P1036-R1038 PolarHBondContact O-N 2.97Å |
| 1037 | I | 83.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 115.5 | 171 | -41.9 | -171.6 | 0 | 0 | 0 | 109.2 | I962 Q964 L1009 W1012 L1042 F1171 S1172 | I962-I1037 HydrophobicContact CG2-CD1 4.34Å; Q964-I1037 HydrophobicContact CG-CD1 4.09Å; L1009-I1037 HydrophobicContact CD2-CD1 4.37Å; L1009-I1037 HydrophobicContact CD2-CG1 4.2Å; W1012-I1037 HydrophobicContact CB-CD1 3.82Å; W1012-I1037 HydrophobicContact CB-CG1 4.27Å; W1012-I1037 HydrophobicContact CD2-CD1 3.82Å; W1012-I1037 HydrophobicContact CD2-CG1 3.67Å; W1012-I1037 HydrophobicContact CD2-CG2 4.39Å; W1012-I1037 HydrophobicContact CE3-CD1 4.08Å; W1012-I1037 HydrophobicContact CE3-CG1 4.25Å; W1012-I1037 HydrophobicContact CE3-CG2 4.28Å; W1012-I1037 HydrophobicContact CG-CD1 3.7Å; W1012-I1037 HydrophobicContact CG-CG1 3.65Å; W1012-I1037 HydrophobicContact CH2-CG2 4.24Å; W1012-I1037 HydrophobicContact CZ2-CG2 4.35Å; W1012-I1037 HydrophobicContact CZ3-CG2 4.2Å; I1037-L1042 HydrophobicContact CG2-CD1 4.04Å; I1037-L1042 HydrophobicContact CG2-CD2 4.28Å; I1037-L1042 HydrophobicContact CG2-CG 4.17Å; I1037-F1171 HydrophobicContact CB-CD1 4.32Å; I1037-F1171 HydrophobicContact CB-CE1 4.15Å; I1037-F1171 HydrophobicContact CG2-CD1 4.14Å; I1037-F1171 HydrophobicContact CG2-CE1 3.51Å; I1037-F1171 HydrophobicContact CG2-CZ 3.88Å; I1037-F1171 WeakPolarHBondContact O-CD1 3.35Å; I1037-S1172 PolarHBondContact O-N 3.42Å; I1037-S1172 VanDerWaalsContact O-N 3.07Å; I1037-S1172 PolarHBondContact O-OG 3.11Å |
| 1038 | R | 82.7 | Confident | 81.8 | Confident | 143 Ų | 143 | 53.1 Ų | 53.1 | 54% | 0.54 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.8 | 178.4 | -67.2 | 179.8 | -177.9 | 175.1 | 1.8 | 110.2 | P1036 R1040 T1041 L1042 S1172 | P1036-R1038 PolarHBondContact O-N 2.97Å; R1038-R1040 VanDerWaalsContact C-N 3.3Å; R1038-R1040 PolarHBondContact O-N 2.97Å; R1038-T1041 WeakPolarHBondContact O-CB 3.45Å; R1038-T1041 PolarHBondContact O-N 3.1Å; R1038-L1042 PolarHBondContact O-N 3.48Å; R1038-S1172 WeakPolarHBondContact CG-OG 3.35Å |
| 1039 | L | 78.9 | Confident | 80 | Confident | 69 Ų | 69 | 58.4 Ų | 58.4 | 36% | 0.361 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.4 | -38.8 | -179 | -168.9 | 73.7 | 0 | 0 | 0 | 112.1 | T1041 L1042 H1043 F1171 | L1039-T1041 VanDerWaalsContact C-N 3.27Å; L1039-T1041 PolarHBondContact O-N 2.95Å; L1039-L1042 PolarHBondContact O-N 3.28Å; L1039-H1043 PolarHBondContact O-CD2 3.2Å; L1039-H1043 PolarHBondContact O-N 3.46Å; L1039-F1171 HydrophobicContact CB-CD1 4.14Å; L1039-F1171 HydrophobicContact CD1-CD1 4.2Å; L1039-F1171 HydrophobicContact CD1-CE1 4.06Å |
| 1040 | R | 79 | Confident | 77.9 | Confident | 179 Ų | 179 | 60.8 Ų | 60.8 | 68% | 0.675 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.4 | -37.9 | 175 | -66.6 | -176.2 | -173 | 179.8 | 6.8 | 112.3 | R1038 K1044 I1174 | R1038-R1040 VanDerWaalsContact C-N 3.3Å; R1038-R1040 PolarHBondContact O-N 2.97Å; R1040-K1044 WeakPolarHBondContact O-CG 3.33Å; R1040-K1044 PolarHBondContact O-N 2.92Å; R1040-I1174 PolarHBondContact NH2-OXT 3.23Å |
| 1041 | T | 79 | Confident | 75.9 | Confident | 37 Ų | 37 | 68 Ų | 68 | 23% | 0.227 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 177.2 | -56.3 | 0 | 0 | 0 | 0 | 110.6 | R1038 L1039 K1044 I1045 L1056 | R1038-T1041 WeakPolarHBondContact O-CB 3.45Å; R1038-T1041 PolarHBondContact O-N 3.1Å; L1039-T1041 VanDerWaalsContact C-N 3.27Å; L1039-T1041 PolarHBondContact O-N 2.95Å; T1041-K1044 PolarHBondContact O-N 3.11Å; T1041-I1045 HydrophobicContact CG2-CD1 4.03Å; T1041-I1045 WeakPolarHBondContact O-CD1 3.47Å; T1041-I1045 VanDerWaalsContact O-CG1 3.26Å; T1041-I1045 WeakPolarHBondContact O-CG1 3.16Å; T1041-I1045 PolarHBondContact O-N 3.44Å; T1041-L1056 HydrophobicContact CG2-CD2 4Å |
| 1042 | L | 81.1 | Confident | 73.8 | Confident | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 176 | -64.1 | -172 | 0 | 0 | 0 | 112.7 | I906 I962 W1012 I1037 R1038 L1039 K1044 I1045 Q1046 F1171 | I906-L1042 HydrophobicContact CD1-CD1 3.67Å; I962-L1042 HydrophobicContact CD1-CD1 3.44Å; I962-L1042 VanDerWaalsContact CD1-CD1 3.44Å; I962-L1042 HydrophobicContact CD1-CD2 3.68Å; I962-L1042 HydrophobicContact CD1-CG 4.24Å; W1012-L1042 HydrophobicContact CH2-CD2 4.28Å; W1012-L1042 HydrophobicContact CZ3-CD2 4.04Å; I1037-L1042 HydrophobicContact CG2-CD1 4.04Å; I1037-L1042 HydrophobicContact CG2-CD2 4.28Å; I1037-L1042 HydrophobicContact CG2-CG 4.17Å; R1038-L1042 PolarHBondContact O-N 3.48Å; L1039-L1042 PolarHBondContact O-N 3.28Å; L1042-K1044 VanDerWaalsContact C-N 3.3Å; L1042-K1044 PolarHBondContact O-N 3.48Å; L1042-I1045 HydrophobicContact CD2-CD1 4.41Å; L1042-I1045 WeakPolarHBondContact O-CB 3.33Å; L1042-I1045 PolarHBondContact O-N 3.22Å; L1042-I1045 VanDerWaalsContact O-N 3.11Å; L1042-Q1046 WeakPolarHBondContact O-CG 3.26Å; L1042-Q1046 PolarHBondContact O-N 3.23Å; L1042-F1171 HydrophobicContact CD1-CE1 3.29Å; L1042-F1171 HydrophobicContact CD1-CZ 3.34Å; L1042-F1171 HydrophobicContact CG-CE1 4.15Å |
| 1043 | H | 80.7 | Confident | 71.7 | Confident | 86 Ų | 86 | 79 Ų | 79 | 40% | 0.398 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 176.9 | -77.7 | -56.6 | 0 | 0 | 0 | 112.4 | L1039 I1045 Q1046 N1047 | L1039-H1043 PolarHBondContact O-CD2 3.2Å; L1039-H1043 PolarHBondContact O-N 3.46Å; H1043-I1045 VanDerWaalsContact C-N 3.34Å; H1043-Q1046 PolarHBondContact O-N 3.19Å; H1043-N1047 WeakPolarHBondContact O-CB 3.49Å; H1043-N1047 PolarHBondContact O-N 3.13Å |
| 1044 | K | 78.6 | Confident | 69.8 | Low | 116 Ų | 116 | 81.1 Ų | 81.1 | 50% | 0.504 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 172.8 | -76.6 | -175.8 | 171.4 | -147.7 | 0 | 112.3 | R1040 T1041 L1042 | R1040-K1044 WeakPolarHBondContact O-CG 3.33Å; R1040-K1044 PolarHBondContact O-N 2.92Å; T1041-K1044 PolarHBondContact O-N 3.11Å; L1042-K1044 VanDerWaalsContact C-N 3.3Å; L1042-K1044 PolarHBondContact O-N 3.48Å |
| 1045 | I | 78.7 | Confident | 68 | Low | 20 Ų | 20 | 84.9 Ų | 84.9 | 10% | 0.103 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 176 | -65.6 | 161.8 | 0 | 0 | 0 | 110.7 | L960 F1014 T1041 L1042 H1043 V1054 | L960-I1045 HydrophobicContact CD1-CB 4.3Å; L960-I1045 HydrophobicContact CD1-CG2 3.89Å; L960-I1045 HydrophobicContact CD2-CG2 3.94Å; F1014-I1045 HydrophobicContact CD1-CD1 4.34Å; F1014-I1045 HydrophobicContact CD2-CD1 4.36Å; F1014-I1045 HydrophobicContact CD2-CG2 4.02Å; F1014-I1045 HydrophobicContact CE1-CD1 3.94Å; F1014-I1045 HydrophobicContact CE2-CD1 3.95Å; F1014-I1045 HydrophobicContact CE2-CG1 4.39Å; F1014-I1045 HydrophobicContact CE2-CG2 3.61Å; F1014-I1045 HydrophobicContact CZ-CD1 3.72Å; F1014-I1045 HydrophobicContact CZ-CG1 4.34Å; F1014-I1045 HydrophobicContact CZ-CG2 4.35Å; T1041-I1045 HydrophobicContact CG2-CD1 4.03Å; T1041-I1045 WeakPolarHBondContact O-CD1 3.47Å; T1041-I1045 VanDerWaalsContact O-CG1 3.26Å; T1041-I1045 WeakPolarHBondContact O-CG1 3.16Å; T1041-I1045 PolarHBondContact O-N 3.44Å; L1042-I1045 HydrophobicContact CD2-CD1 4.41Å; L1042-I1045 WeakPolarHBondContact O-CB 3.33Å; L1042-I1045 PolarHBondContact O-N 3.22Å; L1042-I1045 VanDerWaalsContact O-N 3.11Å; H1043-I1045 VanDerWaalsContact C-N 3.34Å; I1045-V1054 HydrophobicContact CG1-CG1 4.18Å; I1045-V1054 HydrophobicContact CG1-CG2 4.11Å |
| 1046 | Q | 80.4 | Confident | 66.8 | Low | 14 Ų | 14 | 84.1 Ų | 84.1 | 7% | 0.065 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.4 | -44.2 | 179.6 | -71.6 | -172.2 | -62.7 | 0 | 0 | 112.7 | R907 N958 L960 L1042 H1043 K1048 | R907-Q1046 PolarHBondContact O-NE2 3.16Å; N958-Q1046 HydrophobicContact CB-CB 4.32Å; N958-Q1046 WeakPolarHBondContact O-CG 3.44Å; N958-Q1046 PolarHBondContact O-NE2 2.88Å; N958-Q1046 PolarHBondContact OD1-O 3.23Å; L960-Q1046 HydrophobicContact CD1-CG 3.39Å; L960-Q1046 HydrophobicContact CG-CG 3.8Å; L1042-Q1046 WeakPolarHBondContact O-CG 3.26Å; L1042-Q1046 PolarHBondContact O-N 3.23Å; H1043-Q1046 PolarHBondContact O-N 3.19Å; Q1046-K1048 PolarHBondContact O-N 3.22Å; Q1046-K1048 VanDerWaalsContact O-N 3.16Å |
| 1047 | N | 72.4 | Confident | 65.7 | Low | 88 Ų | 88 | 92 Ų | 92 | 47% | 0.471 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 3.6 | -170.8 | -72.1 | -6.1 | 0 | 0 | 0 | 114.8 | H1043 D1049 | H1043-N1047 WeakPolarHBondContact O-CB 3.49Å; H1043-N1047 PolarHBondContact O-N 3.13Å; N1047-D1049 PolarHBondContact O-N 3.1Å |
| 1048 | K | 64.4 | Low | 64.5 | Low | 89 Ų | 89 | 96.4 Ų | 96.4 | 39% | 0.387 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 18 | -178 | -70.4 | -170.8 | 164.3 | -144.6 | 0 | 114.9 | Q1046 E1050 E1051 | Q1046-K1048 PolarHBondContact O-N 3.22Å; Q1046-K1048 VanDerWaalsContact O-N 3.16Å; K1048-E1050 PolarHBondContact O-N 3.47Å; K1048-E1051 IonicContact NZ-OE1 2.71Å; K1048-E1051 PolarHBondContact NZ-OE1 3.21Å |
| 1049 | D | 48.4 | Very low | 63.4 | Low | 119 Ų | 119 | 95.2 Ų | 95.2 | 64% | 0.636 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -19.6 | -173 | -82.1 | -33.6 | 0 | 0 | 0 | 112.9 | N1047 | N1047-D1049 PolarHBondContact O-N 3.1Š|
| 1050 | E | 40.9 | Very low | 63.1 | Low | 112 Ų | 112 | 93.4 Ų | 93.4 | 52% | 0.523 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.2 | 76.5 | 178.7 | -63.9 | 172.2 | -176 | 0 | 0 | 110.8 | K1048 K1052 | K1048-E1050 PolarHBondContact O-N 3.47Å; E1050-K1052 PolarHBondContact O-N 3.46Å |
| 1051 | E | 45.9 | Very low | 63.1 | Low | 152 Ų | 152 | 87.6 Ų | 87.6 | 71% | 0.71 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -57.4 | -15.6 | 169 | -106.4 | 178.1 | -167.4 | 0 | 0 | 112.6 | K1048 S1053 | K1048-E1051 IonicContact NZ-OE1 2.71Å; K1048-E1051 PolarHBondContact NZ-OE1 3.21Å; E1051-S1053 PolarHBondContact O-N 3.42Å |
| 1052 | K | 43.9 | Very low | 63.1 | Low | 195 Ų | 195 | 87.3 Ų | 87.3 | 85% | 0.848 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -79.5 | 46.7 | 172.8 | -72.1 | -168.7 | 175.8 | -177.3 | 0 | 113.4 | E1050 | E1050-K1052 PolarHBondContact O-N 3.46Š|
| 1053 | S | 45 | Very low | 62.8 | Low | 64 Ų | 64 | 95 Ų | 95 | 45% | 0.448 | 47% | 0.466 | S | S | . | . | trans | 66.6 | 113.4 | -173.7 | 66.8 | 0 | 0 | 0 | 0 | 112.2 | E1051 M1055 | E1051-S1053 PolarHBondContact O-N 3.42Å; S1053-M1055 PolarHBondContact O-N 3.43Å; S1053-M1055 WeakPolarHBondContact OG-CG 3.43Å | ||
| 1054 | V | 48.2 | Very low | 62.6 | Low | 50 Ų | 50 | 98.6 Ų | 98.6 | 30% | 0.303 | 49% | 0.489 | S | S | . | . | trans | -58.3 | 88.8 | 146.8 | 178 | 0 | 0 | 0 | 0 | 104 | I1045 L1056 | I1045-V1054 HydrophobicContact CG1-CG1 4.18Å; I1045-V1054 HydrophobicContact CG1-CG2 4.11Å; V1054-L1056 HydrophobicContact CG1-CD2 4.24Å; V1054-L1056 HydrophobicContact CG1-CG 4.15Å; V1054-L1056 PolarHBondContact O-N 2.98Å | ||
| 1055 | M | 49.1 | Very low | 62.8 | Low | 161 Ų | 161 | 93.5 Ų | 93.5 | 79% | 0.793 | 47% | 0.469 | S | S | * | . | trans | -66.4 | 82 | 171.7 | -82 | -149.4 | 163.8 | 0 | 0 | 105.7 | S1053 R1057 | S1053-M1055 PolarHBondContact O-N 3.43Å; S1053-M1055 WeakPolarHBondContact OG-CG 3.43Å; M1055-R1057 PolarHBondContact O-N 3.19Å; M1055-R1057 VanDerWaalsContact O-N 3.16Å | ||
| 1056 | L | 60.6 | Low | 63.3 | Low | 32 Ų | 32 | 93.3 Ų | 93.3 | 17% | 0.168 | 47% | 0.469 | C | S | . | . | trans | -51.4 | 122.5 | 157.7 | -70.3 | 170.2 | 0 | 0 | 0 | 104.8 | F1014 L1033 T1041 V1054 S1058 F1061 | F1014-L1056 HydrophobicContact CE1-CD1 3.84Å; F1014-L1056 HydrophobicContact CZ-CD1 4.3Å; L1033-L1056 HydrophobicContact CD1-CD1 3.77Å; L1033-L1056 HydrophobicContact CD2-CD1 3.86Å; L1033-L1056 HydrophobicContact CG-CD1 4.47Å; T1041-L1056 HydrophobicContact CG2-CD2 4Å; V1054-L1056 HydrophobicContact CG1-CD2 4.24Å; V1054-L1056 HydrophobicContact CG1-CG 4.15Å; V1054-L1056 PolarHBondContact O-N 2.98Å; L1056-S1058 PolarHBondContact O-N 3.48Å; L1056-F1061 HydrophobicContact CB-CE2 3.9Å; L1056-F1061 HydrophobicContact CB-CZ 3.84Å; L1056-F1061 HydrophobicContact CD1-CZ 4.3Å; L1056-F1061 WeakPolarHBondContact O-CE2 3.22Å | ||
| 1057 | R | 58.2 | Low | 63.9 | Low | 204 Ų | 204 | 92.6 Ų | 92.6 | 77% | 0.77 | 47% | 0.466 | S | S | * | . | trans | -52.8 | 138.4 | -179.3 | -64.7 | -178.1 | -179.3 | -177.7 | -2.7 | 108 | M1055 D1059 S1060 | M1055-R1057 PolarHBondContact O-N 3.19Å; M1055-R1057 VanDerWaalsContact O-N 3.16Å; R1057-D1059 PolarHBondContact O-N 2.82Å; R1057-S1060 VanDerWaalsContact O-CB 3.3Å; R1057-S1060 WeakPolarHBondContact O-CB 3.38Å; R1057-S1060 PolarHBondContact O-N 2.96Å; R1057-S1060 PolarHBondContact O-OG 3.16Å | ||
| 1058 | S | 58.2 | Low | 64.8 | Low | 93 Ų | 93 | 89.2 Ų | 89.2 | 65% | 0.65 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -41.5 | -41.4 | 175.8 | 46.4 | 0 | 0 | 0 | 0 | 112.4 | L1056 S1060 F1061 | L1056-S1058 PolarHBondContact O-N 3.48Å; S1058-S1060 PolarHBondContact O-N 3.23Å; S1058-S1060 VanDerWaalsContact O-N 3.11Å; S1058-F1061 WeakPolarHBondContact O-CD2 3.48Å; S1058-F1061 PolarHBondContact O-N 3.11Å; S1058-F1061 VanDerWaalsContact O-N 3.13Å |
| 1059 | D | 60.7 | Low | 66.1 | Low | 117 Ų | 117 | 85 Ų | 85 | 63% | 0.626 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -65.3 | -19.6 | -176.5 | -47.7 | -12.1 | 0 | 0 | 0 | 114 | K1034 R1057 F1061 | K1034-D1059 WeakPolarHBondContact CD-O 3.18Å; K1034-D1059 PolarHBondContact NZ-O 3.39Å; R1057-D1059 PolarHBondContact O-N 2.82Å; D1059-F1061 VanDerWaalsContact C-N 3.32Å |
| 1060 | S | 72 | Confident | 67.9 | Low | 32 Ų | 32 | 81.2 Ų | 81.2 | 22% | 0.224 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -77.7 | -17.6 | 179.1 | 69.9 | 0 | 0 | 0 | 0 | 113.2 | L1033 K1034 R1057 S1058 | L1033-S1060 CarbonylContact C-O 3.1Å; L1033-S1060 WeakPolarHBondContact CA-O 3.29Å; K1034-S1060 PolarHBondContact N-O 3.24Å; R1057-S1060 VanDerWaalsContact O-CB 3.3Å; R1057-S1060 WeakPolarHBondContact O-CB 3.38Å; R1057-S1060 PolarHBondContact O-N 2.96Å; R1057-S1060 PolarHBondContact O-OG 3.16Å; S1058-S1060 PolarHBondContact O-N 3.23Å; S1058-S1060 VanDerWaalsContact O-N 3.11Å |
| 1061 | F | 79.5 | Confident | 70.1 | Confident | 57 Ų | 57 | 75.9 Ų | 75.9 | 25% | 0.25 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 145.2 | 175.8 | -63.2 | -83.4 | 0 | 0 | 0 | 110.7 | C1031 L1033 K1034 L1056 S1058 D1059 | C1031-F1061 HydrophobicContact CB-CD1 3.76Å; C1031-F1061 HydrophobicContact CB-CE1 3.85Å; L1033-F1061 HydrophobicContact CD2-CD1 3.55Å; L1033-F1061 HydrophobicContact CD2-CE1 3.6Å; L1033-F1061 HydrophobicContact CD2-CG 4.17Å; L1033-F1061 HydrophobicContact CD2-CZ 4.24Å; K1034-F1061 WeakPolarHBondContact CE-O 3.29Å; K1034-F1061 PolarHBondContact NZ-O 3.1Å; L1056-F1061 HydrophobicContact CB-CE2 3.9Å; L1056-F1061 HydrophobicContact CB-CZ 3.84Å; L1056-F1061 HydrophobicContact CD1-CZ 4.3Å; L1056-F1061 WeakPolarHBondContact O-CE2 3.22Å; S1058-F1061 WeakPolarHBondContact O-CD2 3.48Å; S1058-F1061 PolarHBondContact O-N 3.11Å; S1058-F1061 VanDerWaalsContact O-N 3.13Å; D1059-F1061 VanDerWaalsContact C-N 3.32Å |
| 1062 | L | 79.3 | Confident | 71.8 | Confident | 31 Ų | 31 | 71.3 Ų | 71.3 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 114.2 | 167.2 | -167.2 | 72.6 | 0 | 0 | 0 | 107.2 | L1032 K1034 N1064 A1065 | L1032-L1062 HydrophobicContact CB-CB 4.2Å; L1032-L1062 HydrophobicContact CB-CD2 4.43Å; L1032-L1062 WeakPolarHBondContact O-CB 3.15Å; L1032-L1062 PolarHBondContact O-N 3.29Å; K1034-L1062 HydrophobicContact CG-CD1 4.23Å; L1062-N1064 PolarHBondContact O-N 3.48Å; L1062-A1065 HydrophobicContact CB-CB 3.86Å; L1062-A1065 HydrophobicContact CD2-CB 3.5Å; L1062-A1065 VanDerWaalsContact CD2-CB 3.5Å; L1062-A1065 HydrophobicContact CG-CB 3.69Å; L1062-A1065 PolarHBondContact O-N 2.99Å |
| 1063 | E | 74.5 | Confident | 73.6 | Confident | 162 Ų | 162 | 63.1 Ų | 63.1 | 76% | 0.757 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 136.5 | -175.1 | -71.4 | 174.2 | -169.6 | 0 | 0 | 111.4 | A1065 | E1063-A1065 PolarHBondContact O-N 3.28Å |
| 1064 | N | 75.1 | Confident | 75.3 | Confident | 163 Ų | 163 | 60.5 Ų | 60.5 | 87% | 0.872 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 56.6 | 12.9 | -179.4 | -57.6 | -26.2 | 0 | 0 | 0 | 115.6 | L1062 | L1062-N1064 PolarHBondContact O-N 3.48Å |
| 1065 | A | 84.1 | Confident | 76.5 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 128.6 | -177 | 0 | 0 | 0 | 0 | 0 | 111.9 | K889 L1032 L1062 E1063 | K889-A1065 WeakPolarHBondContact O-CA 3.18Å; K889-A1065 WeakPolarHBondContact O-CB 3.49Å; L1032-A1065 HydrophobicContact CB-CB 4.17Å; L1032-A1065 HydrophobicContact CD1-CB 3.98Å; L1032-A1065 PolarHBondContact N-O 2.76Å; L1062-A1065 HydrophobicContact CB-CB 3.86Å; L1062-A1065 HydrophobicContact CD2-CB 3.5Å; L1062-A1065 VanDerWaalsContact CD2-CB 3.5Å; L1062-A1065 HydrophobicContact CG-CB 3.69Å; L1062-A1065 PolarHBondContact O-N 2.99Å; E1063-A1065 PolarHBondContact O-N 3.28Å |
| 1066 | S | 88.9 | Confident | 77.5 | Confident | 15 Ų | 15 | 54 Ų | 54 | 11% | 0.105 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 152.8 | -178.8 | 65.1 | 0 | 0 | 0 | 0 | 111.3 | A888 K889 K1029 L1030 | A888-S1066 CarbonylContact C-O 3.59Å; A888-S1066 VanDerWaalsContact CA-O 3.25Å; A888-S1066 WeakPolarHBondContact CA-O 3.3Å; K889-S1066 PolarHBondContact N-O 3.39Å; K889-S1066 PolarHBondContact O-N 3.08Å; K1029-S1066 VanDerWaalsContact CE-OG 3.25Å; K1029-S1066 WeakPolarHBondContact CE-OG 3.49Å; L1030-S1066 WeakPolarHBondContact O-CA 3.22Å |
| 1067 | L | 92.5 | Very high | 77.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 125.8 | 175.5 | -177.7 | 67.4 | 0 | 0 | 0 | 109.3 | L885 A888 W944 I963 I965 L1030 L1032 I1069 | L885-L1067 HydrophobicContact CD2-CD1 3.53Å; L885-L1067 HydrophobicContact CD2-CD2 4.28Å; L885-L1067 HydrophobicContact CD2-CG 4.26Å; A888-L1067 HydrophobicContact CB-CD1 3.91Å; W944-L1067 HydrophobicContact CH2-CD1 4.45Å; W944-L1067 HydrophobicContact CZ3-CD1 4.26Å; I963-L1067 HydrophobicContact CB-CD2 4.08Å; I963-L1067 HydrophobicContact CD1-CD2 4Å; I963-L1067 HydrophobicContact CG2-CD2 3.82Å; I965-L1067 HydrophobicContact CD1-CD1 3.84Å; I965-L1067 HydrophobicContact CD1-CD2 4.45Å; L1030-L1067 HydrophobicContact CB-CB 4.45Å; L1030-L1067 PolarHBondContact N-O 3.26Å; L1030-L1067 PolarHBondContact O-N 3.43Å; L1032-L1067 HydrophobicContact CD2-CB 3.91Å; L1032-L1067 HydrophobicContact CD2-CD2 4.32Å; L1032-L1067 HydrophobicContact CG-CB 4.15Å; L1067-I1069 HydrophobicContact CD2-CG2 4.17Å; L1067-I1069 HydrophobicContact CG-CG2 4.1Å |
| 1068 | T | 91.4 | Very high | 78.1 | Confident | 17 Ų | 17 | 54 Ų | 54 | 10% | 0.104 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.1 | 174.9 | -48.7 | 0 | 0 | 0 | 0 | 109.7 | K886 D887 T1027 H1028 | K886-T1068 HydrophobicContact CB-CG2 4.17Å; K886-T1068 PolarHBondContact N-O 3.2Å; D887-T1068 PolarHBondContact N-O 2.9Å; D887-T1068 PolarHBondContact O-N 3.12Å; D887-T1068 WeakPolarHBondContact OD1-CB 3.49Å; D887-T1068 PolarHBondContact OD1-OG1 2.85Å; T1027-T1068 HydrophobicContact CG2-CG2 3.45Å; T1027-T1068 VanDerWaalsContact CG2-CG2 3.45Å; H1028-T1068 WeakPolarHBondContact O-CA 3.43Å |
| 1069 | I | 90.9 | Very high | 78.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 157.5 | 174.9 | 66.8 | 169.3 | 0 | 0 | 0 | 110.6 | L883 S884 L885 L961 I963 L1015 T1027 H1028 L1030 L1067 | L883-I1069 HydrophobicContact CD1-CB 4.23Å; L883-I1069 HydrophobicContact CD1-CD1 4.19Å; S884-I1069 CarbonylContact O-C 3.41Å; S884-I1069 WeakPolarHBondContact O-CA 3.2Å; L885-I1069 HydrophobicContact CD2-CG2 4.48Å; L885-I1069 HydrophobicContact CG-CG2 4.2Å; L961-I1069 HydrophobicContact CD2-CD1 4Å; I963-I1069 HydrophobicContact CD1-CD1 3.98Å; I963-I1069 HydrophobicContact CD1-CG2 3.55Å; L1015-I1069 HydrophobicContact CD2-CD1 3.9Å; T1027-I1069 CarbonylContact C-O 3.43Å; T1027-I1069 WeakPolarHBondContact CA-O 3.27Å; H1028-I1069 HydrophobicContact CB-CG1 3.91Å; H1028-I1069 PolarHBondContact N-O 3.3Å; H1028-I1069 PolarHBondContact O-N 3.25Å; L1030-I1069 HydrophobicContact CD1-CD1 3.78Å; L1030-I1069 HydrophobicContact CD1-CG1 4.18Å; L1030-I1069 HydrophobicContact CG-CD1 4.46Å; L1030-I1069 HydrophobicContact CG-CG1 4.42Å; L1067-I1069 HydrophobicContact CD2-CG2 4.17Å; L1067-I1069 HydrophobicContact CG-CG2 4.1Å |
| 1070 | Q | 88.1 | Confident | 78.4 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 19% | 0.187 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.8 | 172.6 | -168.7 | 178.5 | 26.5 | 0 | 0 | 109.1 | S884 K886 G1026 Q1072 | S884-Q1070 PolarHBondContact N-O 3.32Å; S884-Q1070 PolarHBondContact O-N 2.84Å; K886-Q1070 HydrophobicContact CG-CB 4.28Å; G1026-Q1070 WeakPolarHBondContact O-CA 3.5Å; Q1070-Q1072 HydrophobicContact CG-CG 4.25Å |
| 1071 | L | 86.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 131.9 | 172.4 | -68.1 | 176.8 | 0 | 0 | 0 | 108.6 | F881 L882 L883 L961 L1015 L1017 L1023 R1024 N1025 G1026 | F881-L1071 HydrophobicContact CD2-CD2 3.81Å; F881-L1071 HydrophobicContact CE2-CD2 3.69Å; L882-L1071 WeakPolarHBondContact O-CA 3.36Å; L883-L1071 HydrophobicContact CB-CD2 4.34Å; L883-L1071 HydrophobicContact CD1-CD2 3.61Å; L961-L1071 HydrophobicContact CD2-CD2 4.28Å; L1015-L1071 HydrophobicContact CD2-CD1 3.67Å; L1017-L1071 HydrophobicContact CD2-CD1 4.36Å; L1023-L1071 HydrophobicContact CD1-CD1 4.48Å; L1023-L1071 HydrophobicContact CD2-CB 4.47Å; R1024-L1071 WeakPolarHBondContact O-CB 3.35Å; R1024-L1071 WeakPolarHBondContact O-CD1 3.45Å; N1025-L1071 PolarHBondContact OD1-O 3.33Å; G1026-L1071 PolarHBondContact N-O 3.17Å; G1026-L1071 PolarHBondContact O-N 2.83Å |
| 1072 | Q | 82.3 | Confident | 76.4 | Confident | 55 Ų | 55 | 56 Ų | 56 | 26% | 0.257 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 142.2 | 177.8 | -74 | -178.7 | -25.3 | 0 | 0 | 111.3 | F881 L882 N1025 Q1070 A1074 | F881-Q1072 CarbonylContact C-O 3.27Å; F881-Q1072 VanDerWaalsContact CA-O 3.28Å; F881-Q1072 WeakPolarHBondContact CA-O 3.35Å; F881-Q1072 WeakPolarHBondContact CB-O 2.97Å; L882-Q1072 HydrophobicContact CB-CB 4.34Å; L882-Q1072 PolarHBondContact N-O 3.2Å; L882-Q1072 PolarHBondContact O-N 3.17Å; N1025-Q1072 VanDerWaalsContact OD1-CA 3.28Å; N1025-Q1072 WeakPolarHBondContact OD1-CA 3.36Å; Q1070-Q1072 HydrophobicContact CG-CG 4.25Å; Q1072-A1074 PolarHBondContact O-N 3.48Å |
| 1073 | S | 80.3 | Confident | 75.2 | Confident | 23 Ų | 23 | 56.2 Ų | 56.2 | 16% | 0.161 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 129.8 | 170.5 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | R1075 | S1073-R1075 PolarHBondContact O-N 2.79Å |
| 1074 | A | 80.7 | Confident | 74.2 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 7% | 0.074 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -73.8 | -13.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D879 G880 L882 L950 Q1072 F1076 L1077 | D879-A1074 WeakPolarHBondContact O-CB 3.47Å; G880-A1074 PolarHBondContact O-N 3.11Å; L882-A1074 HydrophobicContact CG-CB 4.18Å; L950-A1074 HydrophobicContact CD1-CB 3.34Å; Q1072-A1074 PolarHBondContact O-N 3.48Å; A1074-F1076 VanDerWaalsContact C-N 3.26Å; A1074-F1076 PolarHBondContact O-N 2.95Å; A1074-L1077 WeakPolarHBondContact O-CD1 3.39Å; A1074-L1077 WeakPolarHBondContact O-CG 2.96Å |
| 1075 | R | 74.4 | Confident | 73 | Confident | 69 Ų | 69 | 51.2 Ų | 51.2 | 26% | 0.26 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -68 | -27.7 | -179.4 | -158.6 | -177 | -168.6 | 127.3 | -7.3 | 113.2 | D879 S1073 | D879-R1075 HydrophobicContact CB-CB 4.1Å; D879-R1075 IonicContact OD1-CZ 2.76Å; D879-R1075 IonicContact OD1-NH1 3.95Å; D879-R1075 PolarHBondContact OD1-NH1 2.87Å; D879-R1075 WeakPolarHBondContact OD2-CD 3.09Å; D879-R1075 IonicContact OD2-CZ 2.64Å; D879-R1075 IonicContact OD2-NE 2.8Å; D879-R1075 IonicContact OD2-NH1 2.76Å; D879-R1075 PolarHBondContact OD2-NH1 2.79Å; S1073-R1075 PolarHBondContact O-N 2.79Å |
| 1076 | F | 69.5 | Low | 71.2 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 2% | 0.022 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -104.9 | 28.4 | -174.9 | -55.8 | -77.8 | 0 | 0 | 0 | 112.3 | F797 V800 L801 F873 A1074 D1078 F1079 L1083 | F797-F1076 AromaticContact CD2-CD1 3.91Å; F797-F1076 HydrophobicContact CD2-CD1 3.91Å; F797-F1076 HydrophobicContact CD2-CE1 4.31Å; F797-F1076 AromaticContact CE2-CD1 3.45Å; F797-F1076 HydrophobicContact CE2-CD1 3.45Å; F797-F1076 VanDerWaalsContact CE2-CD1 3.45Å; F797-F1076 AromaticContact CE2-CE1 3.79Å; F797-F1076 HydrophobicContact CE2-CE1 3.79Å; F797-F1076 HydrophobicContact CE2-CG 4.23Å; F797-F1076 HydrophobicContact CZ-CD1 4.47Å; F797-F1076 HydrophobicContact CZ-CE1 4.48Å; V800-F1076 HydrophobicContact CG1-CD1 4.3Å; V800-F1076 HydrophobicContact CG1-CE1 3.91Å; L801-F1076 HydrophobicContact CD2-CE1 4.46Å; L801-F1076 HydrophobicContact CD2-CZ 4.28Å; L801-F1076 HydrophobicContact CG-CE1 4.3Å; F873-F1076 HydrophobicContact CD1-CE2 4.35Å; F873-F1076 HydrophobicContact CD1-CZ 4.47Å; F873-F1076 HydrophobicContact CD2-CD2 4.07Å; F873-F1076 AromaticContact CD2-CE2 3.38Å; F873-F1076 HydrophobicContact CD2-CE2 3.38Å; F873-F1076 HydrophobicContact CD2-CZ 4.14Å; F873-F1076 HydrophobicContact CE1-CE2 4.16Å; F873-F1076 AromaticContact CE1-CZ 3.95Å; F873-F1076 HydrophobicContact CE1-CZ 3.95Å; F873-F1076 AromaticContact CE2-CD2 3.76Å; F873-F1076 HydrophobicContact CE2-CD2 3.76Å; F873-F1076 AromaticContact CE2-CE2 3.11Å; F873-F1076 HydrophobicContact CE2-CE2 3.11Å; F873-F1076 AromaticContact CE2-CZ 3.56Å; F873-F1076 HydrophobicContact CE2-CZ 3.56Å; F873-F1076 AromaticContact CG-CE2 3.98Å; F873-F1076 HydrophobicContact CG-CE2 3.98Å; F873-F1076 HydrophobicContact CZ-CD2 4.45Å; F873-F1076 HydrophobicContact CZ-CE1 4.32Å; F873-F1076 AromaticContact CZ-CE2 3.53Å; F873-F1076 HydrophobicContact CZ-CE2 3.53Å; F873-F1076 AromaticContact CZ-CZ 3.43Å; F873-F1076 HydrophobicContact CZ-CZ 3.43Å; F873-F1076 VanDerWaalsContact CZ-CZ 3.43Å; A1074-F1076 VanDerWaalsContact C-N 3.26Å; A1074-F1076 PolarHBondContact O-N 2.95Å; F1076-D1078 PolarHBondContact O-N 2.93Å; F1076-F1079 HydrophobicContact CB-CB 4.5Å; F1076-F1079 HydrophobicContact CD1-CD2 4.35Å; F1076-F1079 PolarHBondContact O-N 2.93Å; F1076-L1083 HydrophobicContact CB-CD1 3.6Å; F1076-L1083 HydrophobicContact CG-CD1 4.39Å |
| 1077 | L | 64.8 | Low | 69.4 | Low | 89 Ų | 89 | 60.6 Ų | 60.6 | 47% | 0.466 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -48.1 | -47.1 | 176.5 | -88.3 | 162.6 | 0 | 0 | 0 | 112.1 | L882 A1074 F1079 | L882-L1077 HydrophobicContact CD1-CD2 3.26Å; L882-L1077 HydrophobicContact CD1-CG 3.93Å; L882-L1077 HydrophobicContact CD2-CD2 4.08Å; L882-L1077 HydrophobicContact CG-CD2 4.2Å; A1074-L1077 WeakPolarHBondContact O-CD1 3.39Å; A1074-L1077 WeakPolarHBondContact O-CG 2.96Å; L1077-F1079 PolarHBondContact O-N 3.47Å |
| 1078 | D | 66.4 | Low | 67.4 | Low | 148 Ų | 148 | 69.1 Ų | 69.1 | 79% | 0.791 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -76.8 | -8.3 | -174.8 | -57.1 | -30.7 | 0 | 0 | 0 | 113.4 | F1076 | F1076-D1078 PolarHBondContact O-N 2.93Š|
| 1079 | F | 64.5 | Low | 65.5 | Low | 29 Ų | 29 | 70.6 Ų | 70.6 | 13% | 0.127 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -116.6 | 25.8 | -173.6 | -55.4 | -77.9 | 0 | 0 | 0 | 112.4 | N796 F797 V800 F1076 L1077 E1081 E1082 L1083 | N796-F1079 HydrophobicContact CB-CE1 3.9Å; N796-F1079 HydrophobicContact CB-CZ 4.21Å; F797-F1079 HydrophobicContact CB-CD1 3.7Å; F797-F1079 HydrophobicContact CB-CE1 3.87Å; F797-F1079 HydrophobicContact CB-CG 4.22Å; F797-F1079 HydrophobicContact CD2-CB 3.71Å; F797-F1079 HydrophobicContact CD2-CD1 4.04Å; F797-F1079 HydrophobicContact CD2-CD2 4.09Å; F797-F1079 AromaticContact CD2-CG 3.67Å; F797-F1079 HydrophobicContact CD2-CG 3.67Å; F797-F1079 HydrophobicContact CE2-CB 4.26Å; F797-F1079 HydrophobicContact CG-CD1 4.35Å; F797-F1079 HydrophobicContact CG-CG 4.42Å; V800-F1079 HydrophobicContact CB-CE2 4.35Å; V800-F1079 HydrophobicContact CG2-CE2 3.76Å; V800-F1079 HydrophobicContact CG2-CZ 3.89Å; F1076-F1079 HydrophobicContact CB-CB 4.5Å; F1076-F1079 HydrophobicContact CD1-CD2 4.35Å; F1076-F1079 PolarHBondContact O-N 2.93Å; L1077-F1079 PolarHBondContact O-N 3.47Å; F1079-E1081 PolarHBondContact O-N 3.39Å; F1079-E1082 WeakPolarHBondContact CB-OE2 3.29Å; F1079-E1082 VanDerWaalsContact CD1-OE2 3.28Å; F1079-E1082 WeakPolarHBondContact CD1-OE2 3.33Å; F1079-E1082 PolarHBondContact O-N 2.99Å; F1079-L1083 PolarHBondContact O-N 3.4Å |
| 1080 | S | 60.2 | Low | 64 | Low | 62 Ų | 62 | 76 Ų | 76 | 43% | 0.434 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -32.9 | -176.7 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | L1083 K1084 | S1080-L1083 PolarHBondContact O-N 2.89Å; S1080-K1084 PolarHBondContact O-N 3.41Å |
| 1081 | E | 56.7 | Low | 62.3 | Low | 147 Ų | 147 | 77.7 Ų | 77.7 | 69% | 0.687 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -40.1 | 177.5 | -63.9 | -158.2 | 136.8 | 0 | 0 | 113.2 | F1079 L1083 K1084 | F1079-E1081 PolarHBondContact O-N 3.39Å; E1081-L1083 PolarHBondContact O-N 3.28Å; E1081-K1084 WeakPolarHBondContact O-CB 3.43Å; E1081-K1084 PolarHBondContact O-N 3.45Å; E1081-K1084 IonicContact OE1-NZ 3.91Å |
| 1082 | E | 52.8 | Low | 60.7 | Low | 102 Ų | 102 | 79.4 Ų | 79.4 | 48% | 0.477 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.1 | 177.2 | -62.3 | 169.3 | 173.9 | 0 | 0 | 111.8 | F797 F1079 | F797-E1082 WeakPolarHBondContact CB-OE2 3.43Å; F797-E1082 WeakPolarHBondContact CD2-OE2 3.5Å; F797-E1082 WeakPolarHBondContact CG-OE2 3.42Å; F1079-E1082 WeakPolarHBondContact CB-OE2 3.29Å; F1079-E1082 VanDerWaalsContact CD1-OE2 3.28Å; F1079-E1082 WeakPolarHBondContact CD1-OE2 3.33Å; F1079-E1082 PolarHBondContact O-N 2.99Å |
| 1083 | L | 55.2 | Low | 59.2 | Low | 37 Ų | 37 | 79 Ų | 79 | 19% | 0.194 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -1.7 | 176.4 | -67.2 | 172.7 | 0 | 0 | 0 | 113.8 | F797 A870 F1076 F1079 S1080 E1081 I1085 | F797-L1083 HydrophobicContact CZ-CD2 4.46Å; A870-L1083 HydrophobicContact CB-CD2 3.71Å; F1076-L1083 HydrophobicContact CB-CD1 3.6Å; F1076-L1083 HydrophobicContact CG-CD1 4.39Å; F1079-L1083 PolarHBondContact O-N 3.4Å; S1080-L1083 PolarHBondContact O-N 2.89Å; E1081-L1083 PolarHBondContact O-N 3.28Å; L1083-I1085 VanDerWaalsContact C-N 3.28Å; L1083-I1085 PolarHBondContact O-N 2.91Å |
| 1084 | K | 53.4 | Low | 57.3 | Low | 152 Ų | 152 | 80.5 Ų | 80.5 | 66% | 0.661 | 40% | 0.399 | S | S | * | . | trans | -67.4 | 89.6 | 174.5 | -76 | 177.2 | -175.3 | 165.9 | 0 | 109.2 | S1080 E1081 | S1080-K1084 PolarHBondContact O-N 3.41Å; E1081-K1084 WeakPolarHBondContact O-CB 3.43Å; E1081-K1084 PolarHBondContact O-N 3.45Å; E1081-K1084 IonicContact OE1-NZ 3.91Å | ||
| 1085 | I | 49.7 | Very low | 55 | Low | 68 Ų | 68 | 83.9 Ų | 83.9 | 35% | 0.349 | 42% | 0.42 | S | S | . | . | trans | -116.8 | 120.8 | 162.8 | -62.8 | 103.5 | 0 | 0 | 0 | 106.7 | S869 L1083 Q1087 | S869-I1085 WeakPolarHBondContact OG-CB 3.42Å; S869-I1085 WeakPolarHBondContact OG-CD1 3.39Å; S869-I1085 WeakPolarHBondContact OG-CG1 3.49Å; S869-I1085 WeakPolarHBondContact OG-CG2 3.48Å; L1083-I1085 VanDerWaalsContact C-N 3.28Å; L1083-I1085 PolarHBondContact O-N 2.91Å; I1085-Q1087 VanDerWaalsContact C-N 3.33Å; I1085-Q1087 HydrophobicContact CG2-CG 4.33Å; I1085-Q1087 PolarHBondContact O-N 3.38Å | ||
| 1086 | D | 45.5 | Very low | 53 | Low | 177 Ų | 177 | 86.7 Ų | 86.7 | 95% | 0.947 | 44% | 0.44 | S | S | * | . | trans | -61.2 | 96 | 172.8 | -74.4 | -34.8 | 0 | 0 | 0 | 108.7 | ||||
| 1087 | Q | 51.6 | Low | 51.1 | Low | 43 Ų | 43 | 93.4 Ų | 93.4 | 20% | 0.201 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -95.4 | 132.2 | 176 | -69.3 | -177.5 | -0.5 | 0 | 0 | 109.2 | I868 S869 I1085 | I868-Q1087 HydrophobicContact CG2-CG 4.3Å; S869-Q1087 PolarHBondContact O-NE2 3.03Å; I1085-Q1087 VanDerWaalsContact C-N 3.33Å; I1085-Q1087 HydrophobicContact CG2-CG 4.33Å; I1085-Q1087 PolarHBondContact O-N 3.38Å |
| 1088 | Q | 49.8 | Very low | 49.5 | Very low | 180 Ų | 180 | 95.7 Ų | 95.7 | 84% | 0.841 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 136.1 | 163.7 | -73 | -170.8 | -18.3 | 0 | 0 | 109.1 | Y1090 | Q1088-Y1090 PolarHBondContact O-N 2.94Š|
| 1089 | P | 52.7 | Low | 47.7 | Very low | 47 Ų | 47 | 95.6 Ų | 95.6 | 31% | 0.305 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 136.6 | -176.8 | 26 | -33.7 | 0 | 0 | 0 | 111.1 | T1027 K1029 H1091 | T1027-P1089 HydrophobicContact CG2-CB 3.99Å; T1027-P1089 CarbonylContact O-C 3.37Å; T1027-P1089 VanDerWaalsContact O-CA 3.3Å; T1027-P1089 WeakPolarHBondContact O-CA 3.3Å; K1029-P1089 HydrophobicContact CB-CB 4.13Å; P1089-H1091 PolarHBondContact O-CD2 2.75Å |
| 1090 | Y | 59.6 | Low | 45.9 | Very low | 114 Ų | 114 | 100.3 Ų | 100.3 | 45% | 0.447 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 130.6 | 172.1 | -68.4 | -83.3 | 0 | 0 | 0 | 110.2 | T1027 H1028 K1029 Q1088 | T1027-Y1090 PolarHBondContact O-N 3.46Å; H1028-Y1090 CarbonylContact C-O 3.13Å; H1028-Y1090 WeakPolarHBondContact CA-O 3.13Å; K1029-Y1090 PolarHBondContact N-O 3.28Å; Q1088-Y1090 PolarHBondContact O-N 2.94Å |
| 1091 | H | 51.4 | Low | 44.3 | Very low | 76 Ų | 76 | 102.4 Ų | 102.4 | 35% | 0.352 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 105.8 | 174.9 | -64.4 | -90.5 | 0 | 0 | 0 | 109.1 | P1089 I1094 | P1089-H1091 PolarHBondContact O-CD2 2.75Å; H1091-I1094 HydrophobicContact CB-CB 4.14Å; H1091-I1094 HydrophobicContact CB-CD1 4.21Å; H1091-I1094 HydrophobicContact CB-CG1 4.19Å; H1091-I1094 VanDerWaalsContact ND1-CD1 3.33Å; H1091-I1094 WeakPolarHBondContact ND1-CD1 3.38Å |
| 1092 | S | 54.4 | Low | 42.9 | Very low | 35 Ų | 35 | 102.1 Ų | 102.1 | 25% | 0.245 | 52% | 0.524 | C | S | . | . | S | Bend | trans | -89.8 | -11.5 | -172.9 | 58.1 | 0 | 0 | 0 | 0 | 114.7 | L1030 | L1030-S1092 WeakPolarHBondContact CD2-OG 3.46Š|
| 1093 | H | 50.7 | Low | 41.7 | Very low | 48 Ų | 48 | 101.9 Ų | 101.9 | 22% | 0.222 | 53% | 0.526 | C | S | . | . | S | Bend | trans | -127 | -5.4 | -175.3 | -61.2 | -67.6 | 0 | 0 | 0 | 114.1 | F1014 C1031 | F1014-H1093 AromaticContact CE1-CE1 3.77Å; F1014-H1093 AromaticContact CE2-CE1 3.7Å; F1014-H1093 AromaticContact CZ-CE1 3.48Å; F1014-H1093 VanDerWaalsContact CZ-CE1 3.48Å; F1014-H1093 WeakPolarHBondContact CZ-CE1 3.29Å; F1014-H1093 AromaticContact CZ-ND1 3.96Å; F1014-H1093 PolarHBondContact O-CE1 3.17Å; F1014-H1093 VanDerWaalsContact O-CE1 3.31Å; F1014-H1093 PolarHBondContact O-NE2 3.3Å; C1031-H1093 HydrophobicContact CB-CB 4.22Å |
| 1094 | I | 39.8 | Very low | 40.5 | Very low | 53 Ų | 53 | 108.8 Ų | 108.8 | 27% | 0.272 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -93.3 | 124.3 | 179.7 | -51.4 | -175.5 | 0 | 0 | 0 | 107.1 | H1091 N1096 E1098 | H1091-I1094 HydrophobicContact CB-CB 4.14Å; H1091-I1094 HydrophobicContact CB-CD1 4.21Å; H1091-I1094 HydrophobicContact CB-CG1 4.19Å; H1091-I1094 VanDerWaalsContact ND1-CD1 3.33Å; H1091-I1094 WeakPolarHBondContact ND1-CD1 3.38Å; I1094-N1096 PolarHBondContact O-N 2.76Å; I1094-E1098 HydrophobicContact CG2-CB 3.89Å |
| 1095 | P | 33.1 | Very low | 39.2 | Very low | 81 Ų | 81 | 110.7 Ų | 110.7 | 53% | 0.526 | 56% | 0.562 | S | S | . | * | trans | -58.4 | 133.3 | 170.4 | 22.7 | -29.1 | 0 | 0 | 0 | 109.1 | N1097 E1098 | P1095-N1097 PolarHBondContact O-N 3.01Å; P1095-E1098 PolarHBondContact O-N 3.12Å | ||
| 1096 | N | 32.3 | Very low | 38.1 | Very low | 127 Ų | 127 | 116 Ų | 116 | 68% | 0.679 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -52.5 | -9.9 | 180 | -75.4 | -1.6 | 0 | 0 | 0 | 114.8 | I1094 E1098 H1099 | I1094-N1096 PolarHBondContact O-N 2.76Å; N1096-E1098 VanDerWaalsContact C-N 3.3Å; N1096-H1099 PolarHBondContact O-CD2 3.14Å |
| 1097 | N | 29.5 | Very low | 37.3 | Very low | 147 Ų | 147 | 113.6 Ų | 113.6 | 79% | 0.786 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -77.7 | -9.8 | 176.2 | -71 | -0.5 | 0 | 0 | 0 | 113.9 | P1095 | P1095-N1097 PolarHBondContact O-N 3.01Š|
| 1098 | E | 30.5 | Very low | 36.3 | Very low | 136 Ų | 136 | 117.3 Ų | 117.3 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -101.3 | 39.7 | 174.5 | -66.9 | -177.6 | 178.9 | 0 | 0 | 111.8 | I1094 P1095 N1096 D1100 | I1094-E1098 HydrophobicContact CG2-CB 3.89Å; P1095-E1098 PolarHBondContact O-N 3.12Å; N1096-E1098 VanDerWaalsContact C-N 3.3Å; E1098-D1100 PolarHBondContact O-N 3.28Å |
| 1099 | H | 29.2 | Very low | 35.4 | Very low | 146 Ų | 146 | 116.2 Ų | 116.2 | 68% | 0.676 | 59% | 0.594 | S | S | * | * | trans | -73.6 | 5.7 | 162.2 | -83 | -58.2 | 0 | 0 | 0 | 112.8 | N1096 T1101 | N1096-H1099 PolarHBondContact O-CD2 3.14Å; H1099-T1101 PolarHBondContact O-N 3.34Å | ||
| 1100 | D | 25.7 | Very low | 34.4 | Very low | 128 Ų | 128 | 122.4 Ų | 122.4 | 68% | 0.684 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -69 | 100.6 | 174 | -70.2 | -21.6 | 0 | 0 | 0 | 109.8 | E1098 V1102 | E1098-D1100 PolarHBondContact O-N 3.28Å; D1100-V1102 PolarHBondContact O-N 2.79Å |
| 1101 | T | 26.6 | Very low | 33 | Very low | 106 Ų | 106 | 124.6 Ų | 124.6 | 65% | 0.65 | 63% | 0.633 | S | S | * | * | trans | 46.2 | 66.1 | 144.1 | 61.4 | 0 | 0 | 0 | 0 | 114.6 | H1099 D1103 | H1099-T1101 PolarHBondContact O-N 3.34Å; T1101-D1103 PolarHBondContact O-N 3.47Å; T1101-D1103 VanDerWaalsContact O-N 3.14Å | ||
| 1102 | V | 28.6 | Very low | 32.1 | Very low | 142 Ų | 142 | 127.1 Ų | 127.1 | 86% | 0.861 | 65% | 0.646 | S | S | * | * | trans | -82.6 | 74.3 | 146.4 | -173.1 | 0 | 0 | 0 | 0 | 105.3 | D1100 E1104 | D1100-V1102 PolarHBondContact O-N 2.79Å; V1102-E1104 PolarHBondContact O-N 3.42Å | ||
| 1103 | D | 26.5 | Very low | 31 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 51% | 0.513 | 67% | 0.674 | S | S | . | * | trans | -48.5 | 129.2 | 166.2 | -74.8 | -36.4 | 0 | 0 | 0 | 107.2 | T1101 Y1105 | T1101-D1103 PolarHBondContact O-N 3.47Å; T1101-D1103 VanDerWaalsContact O-N 3.14Å; D1103-Y1105 HydrophobicContact CB-CD2 4.05Å; D1103-Y1105 HydrophobicContact CB-CE2 4.06Å; D1103-Y1105 PolarHBondContact O-N 3.46Å | ||
| 1104 | E | 29 | Very low | 30.5 | Very low | 182 Ų | 182 | 138.4 Ų | 138.4 | 85% | 0.85 | 70% | 0.701 | S | S | * | * | trans | -57.7 | 84.2 | 161.6 | -70.8 | 179.9 | 156 | 0 | 0 | 106.7 | V1102 E1106 | V1102-E1104 PolarHBondContact O-N 3.42Å; E1104-E1106 PolarHBondContact O-N 3.35Å | ||
| 1105 | Y | 26.8 | Very low | 30.7 | Very low | 192 Ų | 192 | 137.7 Ų | 137.7 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | trans | -67.2 | 82.2 | 165.4 | -87.2 | -84 | 0 | 0 | 0 | 106.6 | D1103 N1107 | D1103-Y1105 HydrophobicContact CB-CD2 4.05Å; D1103-Y1105 HydrophobicContact CB-CE2 4.06Å; D1103-Y1105 PolarHBondContact O-N 3.46Å; Y1105-N1107 PolarHBondContact O-N 3.02Å | ||
| 1106 | E | 27.2 | Very low | 31.4 | Very low | 179 Ų | 179 | 137 Ų | 137 | 84% | 0.836 | 70% | 0.698 | S | S | * | * | trans | -59.9 | 70.1 | 148.5 | -74.4 | -166.6 | 147.1 | 0 | 0 | 108.1 | E1104 | E1104-E1106 PolarHBondContact O-N 3.35Š| ||
| 1107 | N | 27.6 | Very low | 32.6 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 68% | 0.684 | 70% | 0.695 | S | S | * | * | trans | -165.1 | 96.2 | 164.7 | -107.3 | -27.3 | 0 | 0 | 0 | 109.6 | Y1105 | Y1105-N1107 PolarHBondContact O-N 3.02Š| ||
| 1108 | N | 30.7 | Very low | 34.5 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 64% | 0.642 | 66% | 0.664 | S | S | * | * | 175 | 72.9 | 126.1 | -83.5 | -25.4 | 0 | 0 | 0 | 110.6 | Q1110 | N1108-Q1110 PolarHBondContact O-N 3.38Š| |||
| 1109 | N | 31 | Very low | 36.9 | Very low | 158 Ų | 158 | 127.4 Ų | 127.4 | 85% | 0.845 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 13.8 | 166.9 | -93 | -20.8 | 0 | 0 | 0 | 114.2 | ||
| 1110 | Q | 32.3 | Very low | 39.4 | Very low | 177 Ų | 177 | 120.4 Ų | 120.4 | 83% | 0.827 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | -15.2 | -177.9 | -67.1 | -170.2 | -1.3 | 0 | 0 | 114.8 | N1108 | N1108-Q1110 PolarHBondContact O-N 3.38Š|
| 1111 | Q | 30.7 | Very low | 42.2 | Very low | 160 Ų | 160 | 116.7 Ų | 116.7 | 75% | 0.748 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -88.8 | -14 | 176.2 | -83.7 | -174.9 | -12.1 | 0 | 0 | 114.8 | K1113 V1114 | Q1111-K1113 PolarHBondContact O-N 3.49Å; Q1111-K1113 VanDerWaalsContact O-N 3.08Å; Q1111-V1114 PolarHBondContact O-N 3.46Å |
| 1112 | M | 31.4 | Very low | 44.7 | Very low | 128 Ų | 128 | 113.1 Ų | 113.1 | 63% | 0.631 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -9.5 | -179.8 | -91.2 | -173 | 171.7 | 0 | 0 | 115.2 | M937 V1114 S1115 | M937-M1112 HydrophobicContact CE-CE 4.36Å; M1112-V1114 VanDerWaalsContact C-N 3.35Å; M1112-S1115 PolarHBondContact O-OG 2.89Å; M1112-S1115 VanDerWaalsContact O-OG 3.13Å |
| 1113 | K | 32.8 | Very low | 47.2 | Very low | 191 Ų | 191 | 106.8 Ų | 106.8 | 83% | 0.83 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -17.8 | 177.3 | -81.3 | -173.7 | 176.6 | 179.1 | 0 | 114.4 | Q1111 | Q1111-K1113 PolarHBondContact O-N 3.49Å; Q1111-K1113 VanDerWaalsContact O-N 3.08Å |
| 1114 | V | 38.9 | Very low | 49.8 | Very low | 130 Ų | 130 | 102.4 Ų | 102.4 | 79% | 0.788 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -24.8 | 179.7 | -174.1 | 0 | 0 | 0 | 0 | 112 | Q1111 M1112 S1116 | Q1111-V1114 PolarHBondContact O-N 3.46Å; M1112-V1114 VanDerWaalsContact C-N 3.35Å; V1114-S1116 VanDerWaalsContact C-N 3.27Å; V1114-S1116 PolarHBondContact O-N 3.41Å |
| 1115 | S | 44.1 | Very low | 52.3 | Low | 37 Ų | 37 | 99 Ų | 99 | 26% | 0.259 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -77.7 | -0.8 | -177.3 | 53.5 | 0 | 0 | 0 | 0 | 115.3 | M1112 R1117 T1118 | M1112-S1115 PolarHBondContact O-OG 2.89Å; M1112-S1115 VanDerWaalsContact O-OG 3.13Å; S1115-R1117 PolarHBondContact O-N 2.95Å; S1115-R1117 VanDerWaalsContact O-N 3.16Å; S1115-T1118 PolarHBondContact O-N 2.93Å; S1115-T1118 PolarHBondContact O-OG1 3.44Å |
| 1116 | S | 48.3 | Very low | 54.7 | Low | 68 Ų | 68 | 92.2 Ų | 92.2 | 48% | 0.476 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -67.6 | -14 | -175.3 | 58.4 | 0 | 0 | 0 | 0 | 114.5 | V1114 N1119 | V1114-S1116 VanDerWaalsContact C-N 3.27Å; V1114-S1116 PolarHBondContact O-N 3.41Å; S1116-N1119 PolarHBondContact O-OD1 3.17Å |
| 1117 | R | 56.2 | Low | 57 | Low | 165 Ų | 165 | 84 Ų | 84 | 62% | 0.623 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -91.4 | -8.1 | -178.6 | -66.8 | -172.8 | 177.9 | -175.2 | 0.1 | 114.8 | E895 S1115 | E895-R1117 HydrophobicContact CG-CB 4.31Å; E895-R1117 WeakPolarHBondContact OE1-CB 3.46Å; E895-R1117 WeakPolarHBondContact OE1-CD 3.29Å; S1115-R1117 PolarHBondContact O-N 2.95Å; S1115-R1117 VanDerWaalsContact O-N 3.16Å |
| 1118 | T | 70.4 | Confident | 59.5 | Low | 20 Ų | 20 | 79.4 Ų | 79.4 | 12% | 0.123 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -114 | 34.7 | -177.3 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | E895 S938 L939 S1115 | E895-T1118 HydrophobicContact CG-CG2 3.75Å; S938-T1118 PolarHBondContact OG-OG1 3.38Å; L939-T1118 VanDerWaalsContact CB-O 3.28Å; L939-T1118 WeakPolarHBondContact CB-O 3.22Å; L939-T1118 VanDerWaalsContact CD1-O 3.31Å; L939-T1118 WeakPolarHBondContact CD1-O 3.3Å; L939-T1118 WeakPolarHBondContact CG-O 3.43Å; L939-T1118 PolarHBondContact N-O 3.29Å; S1115-T1118 PolarHBondContact O-N 2.93Å; S1115-T1118 PolarHBondContact O-OG1 3.44Å |
| 1119 | N | 80.8 | Confident | 61.7 | Low | 22 Ų | 22 | 80.9 Ų | 80.9 | 12% | 0.118 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -114.6 | 169.2 | 174.8 | 71.3 | 8.1 | 0 | 0 | 0 | 110.9 | P935 T936 M937 S1116 A1122 M1123 | P935-N1119 WeakPolarHBondContact O-CB 3.4Å; T936-N1119 PolarHBondContact O-ND2 3.31Å; M937-N1119 VanDerWaalsContact O-CB 3.25Å; M937-N1119 WeakPolarHBondContact O-CB 3.12Å; S1116-N1119 PolarHBondContact O-OD1 3.17Å; N1119-A1122 WeakPolarHBondContact OD1-CB 3.3Å; N1119-A1122 PolarHBondContact OD1-N 3.41Å; N1119-M1123 WeakPolarHBondContact O-CG 3.33Å; N1119-M1123 PolarHBondContact O-N 3.02Å |
| 1120 | L | 82.4 | Confident | 63.7 | Low | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -74.8 | -32 | -176.1 | -169.9 | 70.6 | 0 | 0 | 0 | 112.5 | Y898 F933 P935 A1122 M1123 A1124 L1145 Y1146 | Y898-L1120 HydrophobicContact CD2-CD1 4.29Å; Y898-L1120 HydrophobicContact CE2-CD1 3.93Å; F933-L1120 HydrophobicContact CE2-CB 4.23Å; P935-L1120 HydrophobicContact CB-CB 3.98Å; P935-L1120 HydrophobicContact CB-CD2 4.3Å; P935-L1120 PolarHBondContact O-N 3.46Å; P935-L1120 VanDerWaalsContact O-N 3.16Å; L1120-A1122 VanDerWaalsContact C-N 3.3Å; L1120-A1122 PolarHBondContact O-N 2.79Å; L1120-M1123 HydrophobicContact CD1-CB 4.17Å; L1120-M1123 HydrophobicContact CD1-CE 3.58Å; L1120-M1123 HydrophobicContact CD1-SD 3.86Å; L1120-M1123 CarbonylContact O-C 3.55Å; L1120-M1123 WeakPolarHBondContact O-CA 3.49Å; L1120-M1123 VanDerWaalsContact O-CB 3.25Å; L1120-M1123 WeakPolarHBondContact O-CB 3.22Å; L1120-M1123 PolarHBondContact O-N 3.5Å; L1120-A1124 PolarHBondContact O-N 3.21Å; L1120-L1145 HydrophobicContact CD1-CD2 3.56Å; L1120-L1145 HydrophobicContact CD1-CG 4.22Å; L1120-L1145 HydrophobicContact CG-CD2 4.14Å; L1120-Y1146 HydrophobicContact CD2-CD1 3.84Å; L1120-Y1146 HydrophobicContact CD2-CD2 3.77Å; L1120-Y1146 HydrophobicContact CD2-CE1 3.31Å; L1120-Y1146 HydrophobicContact CD2-CE2 3.27Å; L1120-Y1146 HydrophobicContact CD2-CG 4.02Å; L1120-Y1146 WeakPolarHBondContact CD2-OH 3.39Å |
| 1121 | D | 84 | Confident | 65.6 | Low | 50 Ų | 50 | 68.4 Ų | 68.4 | 27% | 0.267 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 177.3 | -75.6 | -27.2 | 0 | 0 | 0 | 111.4 | P935 M1123 A1124 E1125 | P935-D1121 WeakPolarHBondContact CB-OD1 3.32Å; P935-D1121 PolarHBondContact O-N 3.38Å; D1121-M1123 VanDerWaalsContact C-N 3.26Å; D1121-M1123 PolarHBondContact O-N 3.33Å; D1121-A1124 PolarHBondContact O-N 2.74Å; D1121-E1125 WeakPolarHBondContact O-CB 2.99Å; D1121-E1125 WeakPolarHBondContact O-CG 3.43Å; D1121-E1125 PolarHBondContact O-N 2.85Å |
| 1122 | A | 79.7 | Confident | 67.6 | Low | 31 Ų | 31 | 66.2 Ų | 66.2 | 26% | 0.256 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.3 | -36.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1119 L1120 F1126 | N1119-A1122 WeakPolarHBondContact OD1-CB 3.3Å; N1119-A1122 PolarHBondContact OD1-N 3.41Å; L1120-A1122 VanDerWaalsContact C-N 3.3Å; L1120-A1122 PolarHBondContact O-N 2.79Å; A1122-F1126 WeakPolarHBondContact O-CB 3.4Å; A1122-F1126 PolarHBondContact O-N 2.79Å; A1122-F1126 VanDerWaalsContact O-N 3.11Å |
| 1123 | M | 79.6 | Confident | 69.7 | Low | 8 Ų | 8 | 66.9 Ų | 66.9 | 4% | 0.039 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66 | -46.2 | 175.1 | -67.8 | 177.3 | 43.5 | 0 | 0 | 111.9 | Y898 L939 W986 N1119 L1120 D1121 F1126 R1127 L1145 I1149 | Y898-M1123 HydrophobicContact CD2-CE 3.88Å; L939-M1123 HydrophobicContact CD1-SD 4Å; W986-M1123 HydrophobicContact CE3-CG 3.91Å; W986-M1123 HydrophobicContact CE3-SD 4.45Å; W986-M1123 HydrophobicContact CH2-CB 3.2Å; W986-M1123 HydrophobicContact CH2-CE 3.17Å; W986-M1123 HydrophobicContact CH2-CG 3.15Å; W986-M1123 HydrophobicContact CH2-SD 3.7Å; W986-M1123 VanDerWaalsContact CZ2-CA 3.5Å; W986-M1123 HydrophobicContact CZ2-CB 3.46Å; W986-M1123 VanDerWaalsContact CZ2-CB 3.46Å; W986-M1123 HydrophobicContact CZ2-CE 4.42Å; W986-M1123 HydrophobicContact CZ2-CG 3.74Å; W986-M1123 WeakPolarHBondContact CZ2-O 3.31Å; W986-M1123 HydrophobicContact CZ3-CB 3.89Å; W986-M1123 HydrophobicContact CZ3-CE 3.29Å; W986-M1123 HydrophobicContact CZ3-CG 3.24Å; W986-M1123 HydrophobicContact CZ3-SD 3.48Å; W986-M1123 WeakPolarHBondContact CZ3-SD 3.44Å; N1119-M1123 WeakPolarHBondContact O-CG 3.33Å; N1119-M1123 PolarHBondContact O-N 3.02Å; L1120-M1123 HydrophobicContact CD1-CB 4.17Å; L1120-M1123 HydrophobicContact CD1-CE 3.58Å; L1120-M1123 HydrophobicContact CD1-SD 3.86Å; L1120-M1123 CarbonylContact O-C 3.55Å; L1120-M1123 WeakPolarHBondContact O-CA 3.49Å; L1120-M1123 VanDerWaalsContact O-CB 3.25Å; L1120-M1123 WeakPolarHBondContact O-CB 3.22Å; L1120-M1123 PolarHBondContact O-N 3.5Å; D1121-M1123 VanDerWaalsContact C-N 3.26Å; D1121-M1123 PolarHBondContact O-N 3.33Å; M1123-F1126 PolarHBondContact O-N 3.18Å; M1123-R1127 WeakPolarHBondContact O-CB 3.45Å; M1123-R1127 PolarHBondContact O-N 3.01Å; M1123-L1145 HydrophobicContact CB-CD2 3.91Å; M1123-L1145 HydrophobicContact CE-CD2 4.36Å; M1123-I1149 HydrophobicContact CE-CD1 4.39Å |
| 1124 | A | 82.6 | Confident | 71.9 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1120 D1121 F1126 R1127 A1128 L1145 | L1120-A1124 PolarHBondContact O-N 3.21Å; D1121-A1124 PolarHBondContact O-N 2.74Å; A1124-F1126 VanDerWaalsContact C-N 3.33Å; A1124-F1126 PolarHBondContact O-N 3.13Å; A1124-R1127 PolarHBondContact O-N 2.95Å; A1124-A1128 PolarHBondContact O-N 3.33Å; A1124-L1145 HydrophobicContact CB-CD2 4.06Å |
| 1125 | E | 81.1 | Confident | 73.8 | Confident | 111 Ų | 111 | 55.4 Ų | 55.4 | 52% | 0.519 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 174.3 | -80.4 | -169.9 | -162.6 | 0 | 0 | 112.1 | D1121 R1127 A1128 K1129 | D1121-E1125 WeakPolarHBondContact O-CB 2.99Å; D1121-E1125 WeakPolarHBondContact O-CG 3.43Å; D1121-E1125 PolarHBondContact O-N 2.85Å; E1125-R1127 VanDerWaalsContact C-N 3.3Å; E1125-R1127 PolarHBondContact O-N 3.1Å; E1125-A1128 PolarHBondContact O-N 3.41Å; E1125-K1129 VanDerWaalsContact O-CG 3.31Å; E1125-K1129 WeakPolarHBondContact O-CG 2.86Å; E1125-K1129 PolarHBondContact O-N 3.39Å; E1125-K1129 IonicContact OE2-NZ 3.31Å; E1125-K1129 PolarHBondContact OE2-NZ 3.49Å |
| 1126 | F | 76.3 | Confident | 75.4 | Confident | 48 Ų | 48 | 59.9 Ų | 59.9 | 21% | 0.211 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 177.8 | -178.9 | -82.3 | 0 | 0 | 0 | 111.3 | W986 F987 A1122 M1123 A1124 A1128 K1129 S1130 | W986-F1126 AromaticContact CD1-CD1 3.32Å; W986-F1126 AromaticContact CD1-CD2 3.87Å; W986-F1126 AromaticContact CD1-CE1 3.4Å; W986-F1126 AromaticContact CD1-CE2 3.98Å; W986-F1126 AromaticContact CD1-CG 3.52Å; W986-F1126 AromaticContact CD1-CZ 3.74Å; W986-F1126 AromaticContact NE1-CD1 2.82Å; W986-F1126 AromaticContact NE1-CD2 3.97Å; W986-F1126 AromaticContact NE1-CE1 3.36Å; W986-F1126 AromaticContact NE1-CG 3.14Å; W986-F1126 WeakPolarHBondContact O-CZ 3.32Å; F987-F1126 HydrophobicContact CD1-CE2 4.49Å; A1122-F1126 WeakPolarHBondContact O-CB 3.4Å; A1122-F1126 PolarHBondContact O-N 2.79Å; A1122-F1126 VanDerWaalsContact O-N 3.11Å; M1123-F1126 PolarHBondContact O-N 3.18Å; A1124-F1126 VanDerWaalsContact C-N 3.33Å; A1124-F1126 PolarHBondContact O-N 3.13Å; F1126-A1128 VanDerWaalsContact C-N 3.35Å; F1126-K1129 PolarHBondContact O-N 3.49Å; F1126-S1130 VanDerWaalsContact CD1-OG 3.31Å; F1126-S1130 WeakPolarHBondContact CD1-OG 3.44Å; F1126-S1130 WeakPolarHBondContact CE1-OG 3.46Å; F1126-S1130 WeakPolarHBondContact O-CB 2.8Å; F1126-S1130 PolarHBondContact O-N 2.95Å; F1126-S1130 PolarHBondContact O-OG 3.42Å |
| 1127 | R | 77.2 | Confident | 76.6 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 3% | 0.03 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 178.1 | -173.5 | 169.1 | -179.8 | 163.6 | 4.2 | 111.4 | M1123 A1124 E1125 K1129 S1130 D1131 W1134 E1148 | M1123-R1127 WeakPolarHBondContact O-CB 3.45Å; M1123-R1127 PolarHBondContact O-N 3.01Å; A1124-R1127 PolarHBondContact O-N 2.95Å; E1125-R1127 VanDerWaalsContact C-N 3.3Å; E1125-R1127 PolarHBondContact O-N 3.1Å; R1127-K1129 VanDerWaalsContact C-N 3.31Å; R1127-K1129 PolarHBondContact O-N 3.3Å; R1127-S1130 PolarHBondContact O-N 3.33Å; R1127-S1130 VanDerWaalsContact O-N 3.16Å; R1127-D1131 PolarHBondContact O-N 3.37Å; R1127-W1134 HydrophobicContact CB-CE3 4.17Å; R1127-W1134 HydrophobicContact CB-CH2 4.29Å; R1127-W1134 HydrophobicContact CB-CZ3 3.97Å; R1127-W1134 HydrophobicContact CG-CD2 3.82Å; R1127-W1134 HydrophobicContact CG-CE3 3.81Å; R1127-W1134 HydrophobicContact CG-CG 4.41Å; R1127-W1134 HydrophobicContact CG-CH2 4.18Å; R1127-W1134 HydrophobicContact CG-CZ2 4.21Å; R1127-W1134 HydrophobicContact CG-CZ3 3.99Å; R1127-W1134 VanDerWaalsContact NE-CE2 3.32Å; R1127-E1148 IonicContact CZ-OE1 2.94Å; R1127-E1148 IonicContact CZ-OE2 3.64Å; R1127-E1148 IonicContact NH1-OE1 2.67Å; R1127-E1148 IonicContact NH1-OE2 3.41Å; R1127-E1148 PolarHBondContact NH1-OE2 2.97Å; R1127-E1148 VanDerWaalsContact NH2-CD 3.3Å; R1127-E1148 IonicContact NH2-OE1 2.58Å; R1127-E1148 PolarHBondContact NH2-OE1 2.91Å; R1127-E1148 IonicContact NH2-OE2 2.77Å; R1127-E1148 PolarHBondContact NH2-OE2 3.12Å |
| 1128 | A | 79.3 | Confident | 77.5 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 26% | 0.256 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.4 | -35.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1124 E1125 F1126 D1131 W1134 | A1124-A1128 PolarHBondContact O-N 3.33Å; E1125-A1128 PolarHBondContact O-N 3.41Å; F1126-A1128 VanDerWaalsContact C-N 3.35Å; A1128-D1131 CarbonylContact O-C 3.6Å; A1128-W1134 HydrophobicContact CB-CE3 4.07Å; A1128-W1134 HydrophobicContact CB-CZ3 4.22Å |
| 1129 | K | 77.2 | Confident | 77.9 | Confident | 151 Ų | 151 | 65.3 Ų | 65.3 | 66% | 0.657 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -69.9 | -31.5 | 173.8 | -73.8 | 167.1 | -175.6 | 157.1 | 0 | 113 | E1125 F1126 R1127 | E1125-K1129 VanDerWaalsContact O-CG 3.31Å; E1125-K1129 WeakPolarHBondContact O-CG 2.86Å; E1125-K1129 PolarHBondContact O-N 3.39Å; E1125-K1129 IonicContact OE2-NZ 3.31Å; E1125-K1129 PolarHBondContact OE2-NZ 3.49Å; F1126-K1129 PolarHBondContact O-N 3.49Å; R1127-K1129 VanDerWaalsContact C-N 3.31Å; R1127-K1129 PolarHBondContact O-N 3.3Å |
| 1130 | S | 72.7 | Confident | 77.8 | Confident | 45 Ų | 45 | 69.2 Ų | 69.2 | 32% | 0.315 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -82.8 | -31.5 | -177.2 | -58.7 | 0 | 0 | 0 | 0 | 113.1 | F1126 R1127 | F1126-S1130 VanDerWaalsContact CD1-OG 3.31Å; F1126-S1130 WeakPolarHBondContact CD1-OG 3.44Å; F1126-S1130 WeakPolarHBondContact CE1-OG 3.46Å; F1126-S1130 WeakPolarHBondContact O-CB 2.8Å; F1126-S1130 PolarHBondContact O-N 2.95Å; F1126-S1130 PolarHBondContact O-OG 3.42Å; R1127-S1130 PolarHBondContact O-N 3.33Å; R1127-S1130 VanDerWaalsContact O-N 3.16Å |
| 1131 | D | 72.9 | Confident | 77.7 | Confident | 28 Ų | 28 | 69.9 Ų | 69.9 | 15% | 0.15 | 39% | 0.385 | C | S | . | . | trans | -133 | 93.9 | 177.3 | -170 | -15.9 | 0 | 0 | 0 | 108.6 | G975 R1127 A1128 N1133 W1134 | G975-D1131 PolarHBondContact N-OD2 3.21Å; R1127-D1131 PolarHBondContact O-N 3.37Å; A1128-D1131 CarbonylContact O-C 3.6Å; D1131-N1133 PolarHBondContact O-N 3.2Å; D1131-N1133 VanDerWaalsContact O-N 3.12Å; D1131-N1133 PolarHBondContact OD1-N 3.32Å; D1131-W1134 HydrophobicContact CB-CB 3.91Å; D1131-W1134 WeakPolarHBondContact O-CB 3.15Å; D1131-W1134 PolarHBondContact O-N 3.41Å | ||
| 1132 | T | 71.5 | Confident | 77.7 | Confident | 114 Ų | 114 | 68 Ų | 68 | 70% | 0.699 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.5 | -175.3 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | W1134 | T1132-W1134 VanDerWaalsContact C-N 3.35Š|
| 1133 | N | 75.9 | Confident | 77.9 | Confident | 142 Ų | 142 | 69.9 Ų | 69.9 | 76% | 0.759 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -3.8 | 178.5 | -64.5 | -16.6 | 0 | 0 | 0 | 112.4 | D1131 | D1131-N1133 PolarHBondContact O-N 3.2Å; D1131-N1133 VanDerWaalsContact O-N 3.12Å; D1131-N1133 PolarHBondContact OD1-N 3.32Å |
| 1134 | W | 78.5 | Confident | 78.2 | Confident | 14 Ų | 14 | 71.7 Ų | 71.7 | 5% | 0.053 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -70.5 | -38 | -176.1 | 176.8 | 66.4 | 0 | 0 | 0 | 112.5 | R1127 A1128 D1131 T1132 G1141 K1144 L1145 E1148 | R1127-W1134 HydrophobicContact CB-CE3 4.17Å; R1127-W1134 HydrophobicContact CB-CH2 4.29Å; R1127-W1134 HydrophobicContact CB-CZ3 3.97Å; R1127-W1134 HydrophobicContact CG-CD2 3.82Å; R1127-W1134 HydrophobicContact CG-CE3 3.81Å; R1127-W1134 HydrophobicContact CG-CG 4.41Å; R1127-W1134 HydrophobicContact CG-CH2 4.18Å; R1127-W1134 HydrophobicContact CG-CZ2 4.21Å; R1127-W1134 HydrophobicContact CG-CZ3 3.99Å; R1127-W1134 VanDerWaalsContact NE-CE2 3.32Å; A1128-W1134 HydrophobicContact CB-CE3 4.07Å; A1128-W1134 HydrophobicContact CB-CZ3 4.22Å; D1131-W1134 HydrophobicContact CB-CB 3.91Å; D1131-W1134 WeakPolarHBondContact O-CB 3.15Å; D1131-W1134 PolarHBondContact O-N 3.41Å; T1132-W1134 VanDerWaalsContact C-N 3.35Å; W1134-G1141 VanDerWaalsContact CH2-O 3.29Å; W1134-G1141 WeakPolarHBondContact CH2-O 3.26Å; W1134-K1144 HydrophobicContact CD2-CD 4.29Å; W1134-K1144 HydrophobicContact CH2-CB 4.33Å; W1134-K1144 HydrophobicContact CZ2-CB 3.96Å; W1134-K1144 HydrophobicContact CZ2-CD 3.94Å; W1134-K1144 HydrophobicContact CZ2-CG 3.76Å; W1134-K1144 WeakPolarHBondContact O-CE 3.28Å; W1134-K1144 PolarHBondContact O-NZ 3.09Å; W1134-L1145 HydrophobicContact CH2-CB 4.01Å; W1134-L1145 HydrophobicContact CZ2-CB 4.14Å; W1134-E1148 PolarHBondContact NE1-OE1 3.37Å |
| 1135 | L | 78.3 | Confident | 78.3 | Confident | 65 Ų | 65 | 71.4 Ų | 71.4 | 34% | 0.34 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -100 | 123.5 | -177.6 | -151.5 | 83.5 | 0 | 0 | 0 | 111.2 | E1139 K1144 | L1135-E1139 HydrophobicContact CD1-CB 4.47Å; L1135-E1139 HydrophobicContact CG-CB 4.41Å; L1135-K1144 HydrophobicContact CD1-CD 4.4Å |
| 1136 | Q | 78.8 | Confident | 78.6 | Confident | 132 Ų | 132 | 66.8 Ų | 66.8 | 62% | 0.617 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -84.7 | 159.8 | 173.8 | -61.4 | -175.5 | 5.1 | 0 | 0 | 111.2 | G1138 E1139 | Q1136-G1138 PolarHBondContact O-N 2.93Å; Q1136-E1139 HydrophobicContact CB-CG 4.19Å; Q1136-E1139 PolarHBondContact N-OE2 3.01Å; Q1136-E1139 VanDerWaalsContact N-OE2 3.14Å; Q1136-E1139 PolarHBondContact O-N 3.33Å |
| 1137 | Q | 73.7 | Confident | 79.1 | Confident | 206 Ų | 206 | 67.5 Ų | 67.5 | 96% | 0.963 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 121.6 | 177 | -76.2 | -176.4 | -13 | 0 | 0 | 110.7 | ||
| 1138 | G | 75.2 | Confident | 79.5 | Confident | 84 Ų | 84 | 69.2 Ų | 69.2 | 87% | 0.866 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.6 | -7.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q1136 | Q1136-G1138 PolarHBondContact O-N 2.93Š|
| 1139 | E | 77.7 | Confident | 79.8 | Confident | 76 Ų | 76 | 67.8 Ų | 67.8 | 36% | 0.355 | 38% | 0.376 | S | S | . | . | trans | -79.9 | 140 | 173.8 | -73.3 | -176.1 | 149.5 | 0 | 0 | 111.8 | L1135 Q1136 K1144 | L1135-E1139 HydrophobicContact CD1-CB 4.47Å; L1135-E1139 HydrophobicContact CG-CB 4.41Å; Q1136-E1139 HydrophobicContact CB-CG 4.19Å; Q1136-E1139 PolarHBondContact N-OE2 3.01Å; Q1136-E1139 VanDerWaalsContact N-OE2 3.14Å; Q1136-E1139 PolarHBondContact O-N 3.33Å; E1139-K1144 IonicContact OE1-NZ 3.23Å; E1139-K1144 WeakPolarHBondContact OE2-CD 3.14Å; E1139-K1144 IonicContact OE2-NZ 3.63Å; E1139-K1144 PolarHBondContact OE2-NZ 3.27Å | ||
| 1140 | I | 79.2 | Confident | 80.4 | Confident | 104 Ų | 104 | 64.2 Ų | 64.2 | 53% | 0.533 | 36% | 0.361 | S | S | . | . | trans | -85.8 | 122.6 | 172 | -58.4 | 172 | 0 | 0 | 0 | 108.4 | S1142 D1143 K1144 | I1140-S1142 WeakPolarHBondContact CG2-OG 3.43Å; I1140-S1142 PolarHBondContact O-N 3.2Å; I1140-D1143 HydrophobicContact CB-CB 4.4Å; I1140-D1143 PolarHBondContact O-N 2.75Å; I1140-K1144 PolarHBondContact O-N 3.03Å | ||
| 1141 | G | 81 | Confident | 81 | Confident | 15 Ų | 15 | 68.1 Ų | 68.1 | 16% | 0.155 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.6 | -38.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | W1134 K1144 L1145 | W1134-G1141 VanDerWaalsContact CH2-O 3.29Å; W1134-G1141 WeakPolarHBondContact CH2-O 3.26Å; G1141-K1144 PolarHBondContact O-N 2.82Å; G1141-L1145 WeakPolarHBondContact O-CB 3.48Å; G1141-L1145 PolarHBondContact O-N 2.7Å |
| 1142 | S | 83.2 | Confident | 81.7 | Confident | 10 Ų | 10 | 68 Ų | 68 | 7% | 0.07 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 177.7 | 46.1 | 0 | 0 | 0 | 0 | 112.1 | I1140 K1144 L1145 Y1146 | I1140-S1142 WeakPolarHBondContact CG2-OG 3.43Å; I1140-S1142 PolarHBondContact O-N 3.2Å; S1142-K1144 PolarHBondContact O-N 2.93Å; S1142-L1145 PolarHBondContact O-N 2.97Å; S1142-Y1146 WeakPolarHBondContact O-CD2 3.45Å; S1142-Y1146 PolarHBondContact O-N 3.31Å |
| 1143 | D | 85.1 | Confident | 82.4 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 176.7 | -76.7 | -38.3 | 0 | 0 | 0 | 112.5 | K932 I1140 L1145 Y1146 A1147 | K932-D1143 IonicContact NZ-OD1 3.85Å; K932-D1143 PolarHBondContact NZ-OD1 3.01Å; I1140-D1143 HydrophobicContact CB-CB 4.4Å; I1140-D1143 PolarHBondContact O-N 2.75Å; D1143-L1145 VanDerWaalsContact C-N 3.33Å; D1143-L1145 PolarHBondContact O-N 2.73Å; D1143-Y1146 PolarHBondContact O-N 3.46Å; D1143-A1147 PolarHBondContact O-N 3.48Å |
| 1144 | K | 85.3 | Confident | 82.9 | Confident | 46 Ų | 46 | 62.3 Ų | 62.3 | 20% | 0.2 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 175.3 | -171.6 | 172.2 | -163.5 | 148.8 | 0 | 111.6 | W1134 L1135 E1139 I1140 G1141 S1142 A1147 E1148 | W1134-K1144 HydrophobicContact CD2-CD 4.29Å; W1134-K1144 HydrophobicContact CH2-CB 4.33Å; W1134-K1144 HydrophobicContact CZ2-CB 3.96Å; W1134-K1144 HydrophobicContact CZ2-CD 3.94Å; W1134-K1144 HydrophobicContact CZ2-CG 3.76Å; W1134-K1144 WeakPolarHBondContact O-CE 3.28Å; W1134-K1144 PolarHBondContact O-NZ 3.09Å; L1135-K1144 HydrophobicContact CD1-CD 4.4Å; E1139-K1144 IonicContact OE1-NZ 3.23Å; E1139-K1144 WeakPolarHBondContact OE2-CD 3.14Å; E1139-K1144 IonicContact OE2-NZ 3.63Å; E1139-K1144 PolarHBondContact OE2-NZ 3.27Å; I1140-K1144 PolarHBondContact O-N 3.03Å; G1141-K1144 PolarHBondContact O-N 2.82Å; S1142-K1144 PolarHBondContact O-N 2.93Å; K1144-A1147 PolarHBondContact O-N 3.37Å; K1144-E1148 PolarHBondContact O-N 3.33Å |
| 1145 | L | 84.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 177.8 | -174.7 | 57.6 | 0 | 0 | 0 | 111.7 | F972 L1120 M1123 A1124 W1134 G1141 S1142 D1143 E1148 I1149 | F972-L1145 HydrophobicContact CE1-CD1 3.7Å; F972-L1145 HydrophobicContact CZ-CD1 4.11Å; L1120-L1145 HydrophobicContact CD1-CD2 3.56Å; L1120-L1145 HydrophobicContact CD1-CG 4.22Å; L1120-L1145 HydrophobicContact CG-CD2 4.14Å; M1123-L1145 HydrophobicContact CB-CD2 3.91Å; M1123-L1145 HydrophobicContact CE-CD2 4.36Å; A1124-L1145 HydrophobicContact CB-CD2 4.06Å; W1134-L1145 HydrophobicContact CH2-CB 4.01Å; W1134-L1145 HydrophobicContact CZ2-CB 4.14Å; G1141-L1145 WeakPolarHBondContact O-CB 3.48Å; G1141-L1145 PolarHBondContact O-N 2.7Å; S1142-L1145 PolarHBondContact O-N 2.97Å; D1143-L1145 VanDerWaalsContact C-N 3.33Å; D1143-L1145 PolarHBondContact O-N 2.73Å; L1145-E1148 PolarHBondContact O-N 3.18Å; L1145-I1149 HydrophobicContact CD1-CD1 3.96Å; L1145-I1149 HydrophobicContact CD1-CG1 4.21Å; L1145-I1149 HydrophobicContact CD2-CD1 4.47Å; L1145-I1149 HydrophobicContact CG-CD1 3.78Å; L1145-I1149 HydrophobicContact CG-CG1 4.41Å; L1145-I1149 VanDerWaalsContact O-CG1 3.29Å; L1145-I1149 WeakPolarHBondContact O-CG1 3.47Å; L1145-I1149 PolarHBondContact O-N 2.97Å |
| 1146 | Y | 87.6 | Confident | 83.4 | Confident | 14 Ų | 14 | 64.8 Ų | 64.8 | 6% | 0.055 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.6 | -49.5 | 174 | -83.6 | -52.5 | 0 | 0 | 0 | 111.9 | Y898 K932 F933 L1120 S1142 D1143 E1148 I1149 H1150 | Y898-Y1146 HydrophobicContact CE2-CE1 4.41Å; Y898-Y1146 VanDerWaalsContact OH-CD1 3.27Å; Y898-Y1146 WeakPolarHBondContact OH-CD1 3.36Å; Y898-Y1146 VanDerWaalsContact OH-CE1 3.27Å; Y898-Y1146 WeakPolarHBondContact OH-CE1 3.15Å; K932-Y1146 HydrophobicContact CB-CD1 4.47Å; K932-Y1146 HydrophobicContact CB-CE1 4.47Å; K932-Y1146 HydrophobicContact CG-CD1 4.2Å; K932-Y1146 HydrophobicContact CG-CD2 4.08Å; K932-Y1146 HydrophobicContact CG-CE1 4.15Å; K932-Y1146 HydrophobicContact CG-CE2 3.99Å; K932-Y1146 HydrophobicContact CG-CG 4.2Å; F933-Y1146 VanDerWaalsContact C-OH 3.28Å; F933-Y1146 HydrophobicContact CD1-CE1 4.48Å; F933-Y1146 VanDerWaalsContact CD2-OH 3.24Å; F933-Y1146 WeakPolarHBondContact CD2-OH 3.45Å; F933-Y1146 HydrophobicContact CE1-CE1 4.33Å; F933-Y1146 WeakPolarHBondContact CE2-OH 3.29Å; F933-Y1146 HydrophobicContact CZ-CE1 4.34Å; F933-Y1146 PolarHBondContact N-OH 3.11Å; F933-Y1146 VanDerWaalsContact O-CZ 3.26Å; F933-Y1146 PolarHBondContact O-OH 3.05Å; L1120-Y1146 HydrophobicContact CD2-CD1 3.84Å; L1120-Y1146 HydrophobicContact CD2-CD2 3.77Å; L1120-Y1146 HydrophobicContact CD2-CE1 3.31Å; L1120-Y1146 HydrophobicContact CD2-CE2 3.27Å; L1120-Y1146 HydrophobicContact CD2-CG 4.02Å; L1120-Y1146 WeakPolarHBondContact CD2-OH 3.39Å; S1142-Y1146 WeakPolarHBondContact O-CD2 3.45Å; S1142-Y1146 PolarHBondContact O-N 3.31Å; D1143-Y1146 PolarHBondContact O-N 3.46Å; Y1146-E1148 VanDerWaalsContact C-N 3.31Å; Y1146-E1148 PolarHBondContact O-N 2.69Å; Y1146-I1149 PolarHBondContact O-N 3.14Å; Y1146-H1150 VanDerWaalsContact O-CB 3.29Å; Y1146-H1150 WeakPolarHBondContact O-CB 3.33Å; Y1146-H1150 PolarHBondContact O-N 3.12Å |
| 1147 | A | 85.9 | Confident | 83.5 | Confident | 63 Ų | 63 | 59.1 Ų | 59.1 | 52% | 0.521 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58 | -43.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1143 K1144 E1151 | D1143-A1147 PolarHBondContact O-N 3.48Å; K1144-A1147 PolarHBondContact O-N 3.37Å; A1147-E1151 PolarHBondContact O-N 3.01Å; A1147-E1151 VanDerWaalsContact O-N 3.09Å |
| 1148 | E | 85.8 | Confident | 83.8 | Confident | 44 Ų | 44 | 52.6 Ų | 52.6 | 21% | 0.206 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.9 | -39.4 | 178.2 | -67.7 | -171.1 | -154.1 | 0 | 0 | 113.4 | I978 R1127 W1134 K1144 L1145 Y1146 H1150 E1151 F1152 | I978-E1148 HydrophobicContact CD1-CB 3.59Å; R1127-E1148 IonicContact CZ-OE1 2.94Å; R1127-E1148 IonicContact CZ-OE2 3.64Å; R1127-E1148 IonicContact NH1-OE1 2.67Å; R1127-E1148 IonicContact NH1-OE2 3.41Å; R1127-E1148 PolarHBondContact NH1-OE2 2.97Å; R1127-E1148 VanDerWaalsContact NH2-CD 3.3Å; R1127-E1148 IonicContact NH2-OE1 2.58Å; R1127-E1148 PolarHBondContact NH2-OE1 2.91Å; R1127-E1148 IonicContact NH2-OE2 2.77Å; R1127-E1148 PolarHBondContact NH2-OE2 3.12Å; W1134-E1148 PolarHBondContact NE1-OE1 3.37Å; K1144-E1148 PolarHBondContact O-N 3.33Å; L1145-E1148 PolarHBondContact O-N 3.18Å; Y1146-E1148 VanDerWaalsContact C-N 3.31Å; Y1146-E1148 PolarHBondContact O-N 2.69Å; E1148-H1150 VanDerWaalsContact C-N 3.31Å; E1148-E1151 PolarHBondContact O-N 3.13Å; E1148-F1152 VanDerWaalsContact O-CB 3.28Å; E1148-F1152 WeakPolarHBondContact O-CB 3.18Å; E1148-F1152 PolarHBondContact O-N 3.16Å |
| 1149 | I | 86.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 176 | -69.1 | 172.8 | 0 | 0 | 0 | 109.8 | Y898 L970 I978 M1123 L1145 Y1146 F1152 L1153 | Y898-I1149 HydrophobicContact CD1-CG2 3.83Å; Y898-I1149 HydrophobicContact CD2-CD1 3.83Å; Y898-I1149 HydrophobicContact CE1-CG2 3.45Å; Y898-I1149 VanDerWaalsContact CE1-CG2 3.45Å; Y898-I1149 HydrophobicContact CE2-CD1 3.6Å; Y898-I1149 HydrophobicContact CE2-CG2 4.33Å; Y898-I1149 HydrophobicContact CG-CD1 4.32Å; Y898-I1149 HydrophobicContact CG-CG2 4.41Å; L970-I1149 HydrophobicContact CD1-CD1 3.77Å; L970-I1149 HydrophobicContact CD1-CG1 3.98Å; L970-I1149 HydrophobicContact CD1-CG2 4.49Å; I978-I1149 HydrophobicContact CD1-CG1 3.77Å; M1123-I1149 HydrophobicContact CE-CD1 4.39Å; L1145-I1149 HydrophobicContact CD1-CD1 3.96Å; L1145-I1149 HydrophobicContact CD1-CG1 4.21Å; L1145-I1149 HydrophobicContact CD2-CD1 4.47Å; L1145-I1149 HydrophobicContact CG-CD1 3.78Å; L1145-I1149 HydrophobicContact CG-CG1 4.41Å; L1145-I1149 VanDerWaalsContact O-CG1 3.29Å; L1145-I1149 WeakPolarHBondContact O-CG1 3.47Å; L1145-I1149 PolarHBondContact O-N 2.97Å; Y1146-I1149 PolarHBondContact O-N 3.14Å; I1149-F1152 WeakPolarHBondContact O-CB 3.49Å; I1149-F1152 PolarHBondContact O-N 3.3Å; I1149-L1153 HydrophobicContact CG2-CD1 3.79Å; I1149-L1153 HydrophobicContact CG2-CG 4.02Å; I1149-L1153 WeakPolarHBondContact O-CB 3.34Å; I1149-L1153 VanDerWaalsContact O-CG 3.3Å; I1149-L1153 WeakPolarHBondContact O-CG 3.42Å; I1149-L1153 PolarHBondContact O-N 2.91Å |
| 1150 | H | 89.1 | Confident | 83.4 | Confident | 77 Ų | 77 | 49.7 Ų | 49.7 | 36% | 0.356 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 177.2 | -175.6 | 84.4 | 0 | 0 | 0 | 111.9 | D931 Y1146 E1148 F1152 L1153 K1154 | D931-H1150 IonicContact OD1-CE1 2.98Å; D931-H1150 IonicContact OD1-ND1 3.26Å; D931-H1150 PolarHBondContact OD1-ND1 2.76Å; D931-H1150 VanDerWaalsContact OD1-ND1 3.08Å; D931-H1150 WeakPolarHBondContact OD2-CA 3.36Å; D931-H1150 VanDerWaalsContact OD2-CB 3.28Å; D931-H1150 WeakPolarHBondContact OD2-CB 3.45Å; D931-H1150 IonicContact OD2-CG 3.4Å; D931-H1150 IonicContact OD2-ND1 3.95Å; D931-H1150 PolarHBondContact OD2-ND1 3.24Å; Y1146-H1150 VanDerWaalsContact O-CB 3.29Å; Y1146-H1150 WeakPolarHBondContact O-CB 3.33Å; Y1146-H1150 PolarHBondContact O-N 3.12Å; E1148-H1150 VanDerWaalsContact C-N 3.31Å; H1150-F1152 VanDerWaalsContact C-N 3.3Å; H1150-F1152 PolarHBondContact O-N 3.24Å; H1150-L1153 PolarHBondContact O-N 3.49Å; H1150-K1154 WeakPolarHBondContact O-CB 3.34Å; H1150-K1154 PolarHBondContact O-N 3.37Å |
| 1151 | E | 86.3 | Confident | 82.6 | Confident | 127 Ų | 127 | 48 Ų | 48 | 59% | 0.593 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61 | -41.1 | 176.2 | -170.9 | 176.6 | -177.4 | 0 | 0 | 111.6 | A1147 E1148 N1155 | A1147-E1151 PolarHBondContact O-N 3.01Å; A1147-E1151 VanDerWaalsContact O-N 3.09Å; E1148-E1151 PolarHBondContact O-N 3.13Å; E1151-N1155 VanDerWaalsContact O-CG 3.31Å; E1151-N1155 PolarHBondContact O-N 3.48Å; E1151-N1155 VanDerWaalsContact O-N 3.11Å; E1151-N1155 PolarHBondContact O-ND2 3.18Å; E1151-N1155 VanDerWaalsContact O-ND2 3.15Å |
| 1152 | F | 86.6 | Confident | 81.3 | Confident | 26 Ų | 26 | 51 Ų | 51 | 11% | 0.114 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -48.7 | 175.8 | 176.7 | -101.7 | 0 | 0 | 0 | 112.7 | L970 I978 I980 E1148 I1149 H1150 N1155 Q1156 | L970-F1152 HydrophobicContact CD2-CE1 4.23Å; I978-F1152 HydrophobicContact CB-CB 4.45Å; I978-F1152 HydrophobicContact CB-CD2 4.26Å; I978-F1152 HydrophobicContact CB-CG 4.21Å; I978-F1152 HydrophobicContact CG2-CD1 4.12Å; I978-F1152 HydrophobicContact CG2-CD2 4.46Å; I978-F1152 HydrophobicContact CG2-CE1 4.48Å; I978-F1152 HydrophobicContact CG2-CG 4.12Å; I978-F1152 WeakPolarHBondContact O-CD2 3.43Å; I978-F1152 WeakPolarHBondContact O-CE2 3.35Å; I980-F1152 HydrophobicContact CD1-CE1 4.07Å; I980-F1152 HydrophobicContact CD1-CZ 4.21Å; I980-F1152 HydrophobicContact CG1-CE1 3.65Å; I980-F1152 HydrophobicContact CG1-CZ 3.66Å; E1148-F1152 VanDerWaalsContact O-CB 3.28Å; E1148-F1152 WeakPolarHBondContact O-CB 3.18Å; E1148-F1152 PolarHBondContact O-N 3.16Å; I1149-F1152 WeakPolarHBondContact O-CB 3.49Å; I1149-F1152 PolarHBondContact O-N 3.3Å; H1150-F1152 VanDerWaalsContact C-N 3.3Å; H1150-F1152 PolarHBondContact O-N 3.24Å; F1152-N1155 PolarHBondContact O-N 3.32Å; F1152-Q1156 HydrophobicContact CD1-CG 4.24Å; F1152-Q1156 HydrophobicContact CE1-CG 3.68Å; F1152-Q1156 HydrophobicContact CE2-CG 4.03Å; F1152-Q1156 HydrophobicContact CZ-CG 3.55Å; F1152-Q1156 WeakPolarHBondContact O-CG 3.29Å; F1152-Q1156 PolarHBondContact O-N 3.24Å |
| 1153 | L | 86.5 | Confident | 79.6 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 180 | -73.2 | 178.8 | 0 | 0 | 0 | 111.3 | Y898 F900 L929 D931 I1149 H1150 N1155 Q1156 L1157 | Y898-L1153 HydrophobicContact CD1-CD1 4.5Å; Y898-L1153 HydrophobicContact CE1-CD1 4.14Å; F900-L1153 HydrophobicContact CB-CD1 4Å; F900-L1153 HydrophobicContact CD1-CD1 3.72Å; F900-L1153 HydrophobicContact CD1-CD2 3.73Å; F900-L1153 HydrophobicContact CD1-CG 4.4Å; F900-L1153 HydrophobicContact CD2-CD1 4.46Å; F900-L1153 HydrophobicContact CE1-CD1 4.27Å; F900-L1153 HydrophobicContact CE1-CD2 3.44Å; F900-L1153 VanDerWaalsContact CE1-CD2 3.44Å; F900-L1153 HydrophobicContact CG-CD1 3.82Å; F900-L1153 HydrophobicContact CG-CD2 4.47Å; F900-L1153 HydrophobicContact CZ-CD2 4Å; L929-L1153 HydrophobicContact CD2-CB 4.32Å; D931-L1153 HydrophobicContact CB-CD1 3.86Å; I1149-L1153 HydrophobicContact CG2-CD1 3.79Å; I1149-L1153 HydrophobicContact CG2-CG 4.02Å; I1149-L1153 WeakPolarHBondContact O-CB 3.34Å; I1149-L1153 VanDerWaalsContact O-CG 3.3Å; I1149-L1153 WeakPolarHBondContact O-CG 3.42Å; I1149-L1153 PolarHBondContact O-N 2.91Å; H1150-L1153 PolarHBondContact O-N 3.49Å; L1153-N1155 VanDerWaalsContact C-N 3.3Å; L1153-N1155 PolarHBondContact O-N 2.96Å; L1153-Q1156 PolarHBondContact O-N 2.74Å; L1153-Q1156 VanDerWaalsContact O-N 3.13Å; L1153-L1157 WeakPolarHBondContact O-CB 3.37Å; L1153-L1157 WeakPolarHBondContact O-CG 3.49Å; L1153-L1157 PolarHBondContact O-N 3.48Å |
| 1154 | K | 85.7 | Confident | 78 | Confident | 134 Ų | 134 | 63.7 Ų | 63.7 | 58% | 0.583 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -56.9 | -44.3 | 175.1 | -169.1 | 175.1 | -176.5 | 174.2 | 0 | 111.6 | H1150 L1157 A1158 | H1150-K1154 WeakPolarHBondContact O-CB 3.34Å; H1150-K1154 PolarHBondContact O-N 3.37Å; K1154-L1157 PolarHBondContact O-N 3.35Å; K1154-A1158 WeakPolarHBondContact O-CB 3.3Å; K1154-A1158 PolarHBondContact O-N 3.3Å |
| 1155 | N | 84.6 | Confident | 76.7 | Confident | 100 Ų | 100 | 67 Ų | 67 | 54% | 0.535 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 175.8 | -73 | -31.1 | 0 | 0 | 0 | 112.6 | E1151 F1152 L1153 S1159 | E1151-N1155 VanDerWaalsContact O-CG 3.31Å; E1151-N1155 PolarHBondContact O-N 3.48Å; E1151-N1155 VanDerWaalsContact O-N 3.11Å; E1151-N1155 PolarHBondContact O-ND2 3.18Å; E1151-N1155 VanDerWaalsContact O-ND2 3.15Å; F1152-N1155 PolarHBondContact O-N 3.32Å; L1153-N1155 VanDerWaalsContact C-N 3.3Å; L1153-N1155 PolarHBondContact O-N 2.96Å; N1155-S1159 PolarHBondContact O-N 3.32Å |
| 1156 | Q | 82.9 | Confident | 75.4 | Confident | 31 Ų | 31 | 70.1 Ų | 70.1 | 15% | 0.145 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 176.1 | -71.5 | -61.8 | -46.4 | 0 | 0 | 112.3 | I980 L1004 F1152 L1153 S1159 C1160 | I980-Q1156 HydrophobicContact CD1-CG 4.33Å; L1004-Q1156 HydrophobicContact CB-CB 4.41Å; F1152-Q1156 HydrophobicContact CD1-CG 4.24Å; F1152-Q1156 HydrophobicContact CE1-CG 3.68Å; F1152-Q1156 HydrophobicContact CE2-CG 4.03Å; F1152-Q1156 HydrophobicContact CZ-CG 3.55Å; F1152-Q1156 WeakPolarHBondContact O-CG 3.29Å; F1152-Q1156 PolarHBondContact O-N 3.24Å; L1153-Q1156 PolarHBondContact O-N 2.74Å; L1153-Q1156 VanDerWaalsContact O-N 3.13Å; Q1156-S1159 PolarHBondContact O-N 3.5Å; Q1156-S1159 PolarHBondContact O-OG 3.09Å; Q1156-C1160 PolarHBondContact O-N 3.11Å; Q1156-C1160 PolarHBondContact O-SG 3.09Å |
| 1157 | L | 82 | Confident | 74.7 | Confident | 13 Ų | 13 | 72.5 Ų | 72.5 | 7% | 0.068 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.7 | -43.4 | -179.8 | -71.3 | 171.4 | 0 | 0 | 0 | 111.6 | L902 L929 L1004 L1153 K1154 S1159 C1160 S1161 L1169 | L902-L1157 HydrophobicContact CD1-CD1 4.18Å; L902-L1157 HydrophobicContact CD2-CD2 4.04Å; L929-L1157 HydrophobicContact CD1-CD1 4.03Å; L929-L1157 HydrophobicContact CD2-CD1 4.21Å; L1004-L1157 HydrophobicContact CD2-CD2 3.83Å; L1153-L1157 WeakPolarHBondContact O-CB 3.37Å; L1153-L1157 WeakPolarHBondContact O-CG 3.49Å; L1153-L1157 PolarHBondContact O-N 3.48Å; K1154-L1157 PolarHBondContact O-N 3.35Å; L1157-S1159 PolarHBondContact O-N 3.33Å; L1157-C1160 PolarHBondContact O-N 3.32Å; L1157-S1161 PolarHBondContact O-N 2.91Å; L1157-L1169 HydrophobicContact CD2-CD1 4.12Å; L1157-L1169 HydrophobicContact CD2-CD2 4.03Å |
| 1158 | A | 79.6 | Confident | 73.8 | Confident | 69 Ų | 69 | 69.8 Ų | 69.8 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.5 | -28.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | K1154 S1161 | K1154-A1158 WeakPolarHBondContact O-CB 3.3Å; K1154-A1158 PolarHBondContact O-N 3.3Å; A1158-S1161 PolarHBondContact O-OG 3.4Å |
| 1159 | S | 75.1 | Confident | 72.9 | Confident | 64 Ų | 64 | 69.2 Ų | 69.2 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -81 | -18.7 | 176.3 | 83.3 | 0 | 0 | 0 | 0 | 114.2 | N1155 Q1156 L1157 | N1155-S1159 PolarHBondContact O-N 3.32Å; Q1156-S1159 PolarHBondContact O-N 3.5Å; Q1156-S1159 PolarHBondContact O-OG 3.09Å; L1157-S1159 PolarHBondContact O-N 3.33Å |
| 1160 | C | 69.5 | Low | 72 | Confident | 36 Ų | 36 | 70.6 Ų | 70.6 | 24% | 0.243 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -98.3 | -26.8 | -177.6 | -66 | 0 | 0 | 0 | 0 | 113 | Q1156 L1157 S1162 L1169 | Q1156-C1160 PolarHBondContact O-N 3.11Å; Q1156-C1160 PolarHBondContact O-SG 3.09Å; L1157-C1160 PolarHBondContact O-N 3.32Å; C1160-S1162 PolarHBondContact O-N 2.85Å; C1160-L1169 HydrophobicContact CB-CD1 3.98Å; C1160-L1169 HydrophobicContact CB-CD2 3.55Å; C1160-L1169 HydrophobicContact CB-CG 3.88Å |
| 1161 | S | 61 | Low | 71.1 | Confident | 68 Ų | 68 | 68.7 Ų | 68.7 | 48% | 0.476 | 36% | 0.355 | S | S | . | . | trans | -61.2 | 122.9 | -177.9 | 53.9 | 0 | 0 | 0 | 0 | 111.1 | L1157 A1158 | L1157-S1161 PolarHBondContact O-N 2.91Å; A1158-S1161 PolarHBondContact O-OG 3.4Å | ||
| 1162 | S | 55.1 | Low | 69.9 | Low | 79 Ų | 79 | 62.9 Ų | 62.9 | 55% | 0.552 | 33% | 0.328 | S | S | * | . | trans | -93.6 | 155.1 | 176.3 | 84.1 | 0 | 0 | 0 | 0 | 110.3 | C1160 K1164 | C1160-S1162 PolarHBondContact O-N 2.85Å; S1162-K1164 CarbonylContact O-C 3.53Å; S1162-K1164 PolarHBondContact O-N 3.2Å | ||
| 1163 | K | 46.4 | Very low | 68.1 | Low | 213 Ų | 213 | 72.5 Ų | 72.5 | 93% | 0.926 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -52.3 | -17.2 | 176.9 | -79.1 | -173.8 | 176.1 | -177.9 | 0 | 115.5 | E1165 | K1163-E1165 VanDerWaalsContact C-N 3.27Å; K1163-E1165 PolarHBondContact O-N 3.42Å; K1163-E1165 VanDerWaalsContact O-N 3.13Å |
| 1164 | K | 52 | Low | 65.8 | Low | 133 Ų | 133 | 80.3 Ų | 80.3 | 58% | 0.578 | 40% | 0.404 | S | S | * | . | trans | -84.3 | 79 | 170.5 | -70.6 | -167 | 176.8 | -166.7 | 0 | 108.3 | S1162 Y1166 I1167 | S1162-K1164 CarbonylContact O-C 3.53Å; S1162-K1164 PolarHBondContact O-N 3.2Å; K1164-Y1166 PolarHBondContact O-N 3.35Å; K1164-I1167 HydrophobicContact CB-CD1 3.96Å; K1164-I1167 HydrophobicContact CB-CG1 4.36Å; K1164-I1167 HydrophobicContact CD-CD1 3.93Å; K1164-I1167 PolarHBondContact O-N 3.48Å | ||
| 1165 | E | 57.5 | Low | 64.8 | Low | 114 Ų | 114 | 77.7 Ų | 77.7 | 53% | 0.533 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -23 | -174 | -72.5 | 173.6 | 172.9 | 0 | 0 | 113.2 | K904 D925 K1163 I1167 | K904-E1165 WeakPolarHBondContact CE-O 3.25Å; K904-E1165 PolarHBondContact NZ-O 3.49Å; D925-E1165 HydrophobicContact CB-CB 4.25Å; K1163-E1165 VanDerWaalsContact C-N 3.27Å; K1163-E1165 PolarHBondContact O-N 3.42Å; K1163-E1165 VanDerWaalsContact O-N 3.13Å; E1165-I1167 PolarHBondContact O-N 3.37Å |
| 1166 | Y | 58.4 | Low | 63.7 | Low | 67 Ų | 67 | 76.5 Ų | 76.5 | 26% | 0.263 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -7.6 | -176.5 | -60.6 | -70 | 0 | 0 | 0 | 117.1 | R907 D925 K1164 | R907-Y1166 HydrophobicContact CG-CD1 4.12Å; R907-Y1166 HydrophobicContact CG-CE1 4.11Å; R907-Y1166 VanDerWaalsContact NE-CE1 3.26Å; R907-Y1166 PolarHBondContact NH2-OH 3.41Å; R907-Y1166 VanDerWaalsContact NH2-OH 3.16Å; D925-Y1166 HydrophobicContact CB-CE1 4.43Å; D925-Y1166 WeakPolarHBondContact OD1-CE1 3.34Å; D925-Y1166 WeakPolarHBondContact OD2-CE1 3.44Å; D925-Y1166 PolarHBondContact OD2-OH 2.81Å; K1164-Y1166 PolarHBondContact O-N 3.35Å |
| 1167 | I | 71.8 | Confident | 62.7 | Low | 64 Ų | 64 | 79 Ų | 79 | 33% | 0.328 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -107.1 | 123.6 | -167.8 | -57.8 | 178.6 | 0 | 0 | 0 | 108.9 | K1164 E1165 F1171 | K1164-I1167 HydrophobicContact CB-CD1 3.96Å; K1164-I1167 HydrophobicContact CB-CG1 4.36Å; K1164-I1167 HydrophobicContact CD-CD1 3.93Å; K1164-I1167 PolarHBondContact O-N 3.48Å; E1165-I1167 PolarHBondContact O-N 3.37Å; I1167-F1171 HydrophobicContact CB-CE2 4.46Å; I1167-F1171 HydrophobicContact CG2-CD2 3.12Å; I1167-F1171 HydrophobicContact CG2-CE2 3.29Å; I1167-F1171 HydrophobicContact CG2-CG 3.92Å; I1167-F1171 HydrophobicContact CG2-CZ 4.2Å |
| 1168 | P | 67.9 | Low | 61.5 | Low | 5 Ų | 5 | 82.9 Ų | 82.9 | 3% | 0.032 | 42% | 0.421 | C | S | . | . | trans | -47.7 | 152.8 | 168.2 | -19.9 | 17.5 | 0 | 0 | 0 | 114.2 | I906 I962 F1170 F1171 | I906-P1168 VanDerWaalsContact CD1-CD 3.5Å; I906-P1168 HydrophobicContact CD1-CG 3.76Å; I906-P1168 HydrophobicContact CG1-CG 4.23Å; I962-P1168 HydrophobicContact CB-CG 4.3Å; I962-P1168 HydrophobicContact CD1-CG 3.93Å; I962-P1168 HydrophobicContact CG2-CB 4.5Å; I962-P1168 HydrophobicContact CG2-CG 4.11Å; P1168-F1170 VanDerWaalsContact C-N 3.32Å; P1168-F1170 PolarHBondContact O-N 3.41Å; P1168-F1170 VanDerWaalsContact O-N 3.08Å; P1168-F1171 HydrophobicContact CB-CD2 4.32Å; P1168-F1171 HydrophobicContact CB-CE2 3.39Å; P1168-F1171 HydrophobicContact CB-CZ 4.03Å; P1168-F1171 HydrophobicContact CG-CE2 3.34Å; P1168-F1171 HydrophobicContact CG-CZ 3.54Å; P1168-F1171 WeakPolarHBondContact O-CD2 3.41Å; P1168-F1171 VanDerWaalsContact O-CE2 3.31Å; P1168-F1171 WeakPolarHBondContact O-CE2 3.13Å | ||
| 1169 | L | 67.3 | Low | 60.4 | Low | 32 Ų | 32 | 83.8 Ų | 83.8 | 17% | 0.168 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -58.3 | -35.6 | -159.5 | -142.5 | 90.9 | 0 | 0 | 0 | 115 | L902 L1004 L1157 C1160 | L902-L1169 HydrophobicContact CD2-CB 4.49Å; L902-L1169 HydrophobicContact CD2-CD1 4.43Å; L1004-L1169 HydrophobicContact CD2-CD2 3.68Å; L1157-L1169 HydrophobicContact CD2-CD1 4.12Å; L1157-L1169 HydrophobicContact CD2-CD2 4.03Å; C1160-L1169 HydrophobicContact CB-CD1 3.98Å; C1160-L1169 HydrophobicContact CB-CD2 3.55Å; C1160-L1169 HydrophobicContact CB-CG 3.88Å |
| 1170 | F | 67.2 | Low | 59.4 | Low | 30 Ų | 30 | 85.1 Ų | 85.1 | 13% | 0.132 | 41% | 0.409 | C | S | . | . | trans | -129.8 | 87.3 | -174.2 | -60.6 | -64.5 | 0 | 0 | 0 | 113.8 | F966 L1004 R1005 R1006 P1168 | F966-F1170 HydrophobicContact CD1-CE2 4.43Å; F966-F1170 AromaticContact CE1-CD2 3.46Å; F966-F1170 HydrophobicContact CE1-CD2 3.46Å; F966-F1170 VanDerWaalsContact CE1-CD2 3.46Å; F966-F1170 AromaticContact CE1-CE2 3.39Å; F966-F1170 HydrophobicContact CE1-CE2 3.39Å; F966-F1170 AromaticContact CZ-CD2 3.69Å; F966-F1170 HydrophobicContact CZ-CD2 3.69Å; F966-F1170 AromaticContact CZ-CE2 3.82Å; F966-F1170 HydrophobicContact CZ-CE2 3.82Å; L1004-F1170 HydrophobicContact CD2-CE2 4.25Å; L1004-F1170 HydrophobicContact CD2-CZ 4.41Å; L1004-F1170 HydrophobicContact CG-CE2 4.04Å; L1004-F1170 HydrophobicContact CG-CZ 4.01Å; R1005-F1170 VanDerWaalsContact CA-CZ 3.48Å; R1006-F1170 HydrophobicContact CB-CB 4.07Å; R1006-F1170 HydrophobicContact CB-CD1 3.92Å; R1006-F1170 HydrophobicContact CB-CG 4Å; R1006-F1170 HydrophobicContact CG-CB 4.11Å; P1168-F1170 VanDerWaalsContact C-N 3.32Å; P1168-F1170 PolarHBondContact O-N 3.41Å; P1168-F1170 VanDerWaalsContact O-N 3.08Å | ||
| 1171 | F | 68.6 | Low | 58.7 | Low | 36 Ų | 36 | 88.6 Ų | 88.6 | 16% | 0.158 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 150 | 169.4 | -83.4 | -94.4 | 0 | 0 | 0 | 113.9 | I906 I1037 L1039 L1042 I1167 P1168 | I906-F1171 HydrophobicContact CD1-CZ 4.44Å; I1037-F1171 HydrophobicContact CB-CD1 4.32Å; I1037-F1171 HydrophobicContact CB-CE1 4.15Å; I1037-F1171 HydrophobicContact CG2-CD1 4.14Å; I1037-F1171 HydrophobicContact CG2-CE1 3.51Å; I1037-F1171 HydrophobicContact CG2-CZ 3.88Å; I1037-F1171 WeakPolarHBondContact O-CD1 3.35Å; L1039-F1171 HydrophobicContact CB-CD1 4.14Å; L1039-F1171 HydrophobicContact CD1-CD1 4.2Å; L1039-F1171 HydrophobicContact CD1-CE1 4.06Å; L1042-F1171 HydrophobicContact CD1-CE1 3.29Å; L1042-F1171 HydrophobicContact CD1-CZ 3.34Å; L1042-F1171 HydrophobicContact CG-CE1 4.15Å; I1167-F1171 HydrophobicContact CB-CE2 4.46Å; I1167-F1171 HydrophobicContact CG2-CD2 3.12Å; I1167-F1171 HydrophobicContact CG2-CE2 3.29Å; I1167-F1171 HydrophobicContact CG2-CG 3.92Å; I1167-F1171 HydrophobicContact CG2-CZ 4.2Å; P1168-F1171 HydrophobicContact CB-CD2 4.32Å; P1168-F1171 HydrophobicContact CB-CE2 3.39Å; P1168-F1171 HydrophobicContact CB-CZ 4.03Å; P1168-F1171 HydrophobicContact CG-CE2 3.34Å; P1168-F1171 HydrophobicContact CG-CZ 3.54Å; P1168-F1171 WeakPolarHBondContact O-CD2 3.41Å; P1168-F1171 VanDerWaalsContact O-CE2 3.31Å; P1168-F1171 WeakPolarHBondContact O-CE2 3.13Å |
| 1172 | S | 61.3 | Low | 58.5 | Low | 6 Ų | 6 | 90.2 Ų | 90.2 | 4% | 0.042 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 122 | 154 | 61.5 | 0 | 0 | 0 | 0 | 110.1 | I1037 R1038 I1174 | I1037-S1172 PolarHBondContact O-N 3.42Å; I1037-S1172 VanDerWaalsContact O-N 3.07Å; I1037-S1172 PolarHBondContact O-OG 3.11Å; R1038-S1172 WeakPolarHBondContact CG-OG 3.35Å; S1172-I1174 VanDerWaalsContact C-N 3.26Å; S1172-I1174 PolarHBondContact O-N 3.02Å |
| 1173 | R | 50.2 | Low | 58.8 | Low | 227 Ų | 227 | 91.1 Ų | 91.1 | 86% | 0.857 | 41% | 0.406 | S | S | * | . | trans | -73.9 | -11.1 | 173.1 | -82.6 | -170.4 | -179.4 | -179.9 | 3 | 114.6 | ||||
| 1174 | I | 36.9 | Very low | 59.9 | Low | 166 Ų | 166 | 80 Ų | 80 | 85% | 0.851 | 36% | 0.358 | S | S | * | . | trans | -62.3 | 0 | -173.1 | -55.7 | 175.2 | 0 | 0 | 0 | 110.8 | R1040 S1172 | R1040-I1174 PolarHBondContact NH2-OXT 3.23Å; S1172-I1174 VanDerWaalsContact C-N 3.26Å; S1172-I1174 PolarHBondContact O-N 3.02Å |
Retrieved 1,174 of 1,174 residues in 222.7 ms
(Link to these results)