| 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 | 43 | Very low | 60.6 | Low | 173 Ų | 173 | 116.4 Ų | 116.4 | 85% | 0.852 | 60% | 0.595 | S | S | * | * | 0 | -63.8 | 0 | -96.4 | -79.6 | 167.1 | 0 | 0 | 111 | T3 F4 W5 | M1-T3 PolarHBondContact O-N 3.25Å; M1-F4 PolarHBondContact O-N 3.17Å; M1-F4 VanDerWaalsContact O-N 3.14Å; M1-W5 PolarHBondContact O-N 3.16Å | |||
| 2 | I | 64.4 | Low | 59.5 | Low | 151 Ų | 151 | 111.4 Ų | 111.4 | 77% | 0.774 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.3 | -39.6 | 177.2 | -63.5 | 167.2 | 0 | 0 | 0 | 112.6 | F4 W5 A6 | I2-F4 VanDerWaalsContact C-N 3.34Å; I2-F4 PolarHBondContact O-N 3.33Å; I2-W5 PolarHBondContact O-N 3.08Å; I2-A6 VanDerWaalsContact O-CB 3.32Å; I2-A6 WeakPolarHBondContact O-CB 3.3Å; I2-A6 PolarHBondContact O-N 3.23Å |
| 3 | T | 62.3 | Low | 58.3 | Low | 118 Ų | 118 | 108.7 Ų | 108.7 | 72% | 0.724 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.5 | -31.4 | 174 | 45.2 | 0 | 0 | 0 | 0 | 113.5 | M1 F7 | M1-T3 PolarHBondContact O-N 3.25Å; T3-F7 WeakPolarHBondContact O-CB 3.45Å; T3-F7 PolarHBondContact O-N 3.3Å |
| 4 | F | 65.4 | Low | 57.2 | Low | 136 Ų | 136 | 105 Ų | 105 | 60% | 0.596 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -76.5 | -38.3 | 177 | -166.5 | -98.2 | 0 | 0 | 0 | 111.2 | M1 I2 F7 L8 | M1-F4 PolarHBondContact O-N 3.17Å; M1-F4 VanDerWaalsContact O-N 3.14Å; I2-F4 VanDerWaalsContact C-N 3.34Å; I2-F4 PolarHBondContact O-N 3.33Å; F4-F7 PolarHBondContact O-N 3.21Å; F4-L8 HydrophobicContact CD1-CD1 3.75Å; F4-L8 HydrophobicContact CE1-CD1 3.5Å; F4-L8 VanDerWaalsContact CE1-CD1 3.5Å; F4-L8 HydrophobicContact CZ-CD1 4.34Å; F4-L8 WeakPolarHBondContact O-CB 3.28Å; F4-L8 PolarHBondContact O-N 3.42Å |
| 5 | W | 66.8 | Low | 55.7 | Low | 173 Ų | 173 | 105.6 Ų | 105.6 | 66% | 0.655 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.8 | -39.7 | 170.2 | -95.8 | 80.3 | 0 | 0 | 0 | 112.2 | M1 I2 F7 L8 V9 | M1-W5 PolarHBondContact O-N 3.16Å; I2-W5 PolarHBondContact O-N 3.08Å; W5-F7 VanDerWaalsContact C-N 3.33Å; W5-F7 PolarHBondContact O-N 3.1Å; W5-L8 PolarHBondContact O-N 3.1Å; W5-V9 HydrophobicContact CE3-CG2 4.43Å; W5-V9 WeakPolarHBondContact O-CB 3.41Å; W5-V9 VanDerWaalsContact O-CG2 3.25Å; W5-V9 WeakPolarHBondContact O-CG2 3.45Å; W5-V9 PolarHBondContact O-N 3.48Å |
| 6 | A | 68 | Low | 54.5 | Low | 49 Ų | 49 | 106.1 Ų | 106.1 | 41% | 0.405 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.6 | -38.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I2 V9 L10 | I2-A6 VanDerWaalsContact O-CB 3.32Å; I2-A6 WeakPolarHBondContact O-CB 3.3Å; I2-A6 PolarHBondContact O-N 3.23Å; A6-V9 PolarHBondContact O-N 2.78Å; A6-L10 VanDerWaalsContact O-CB 3.29Å; A6-L10 WeakPolarHBondContact O-CB 3.03Å; A6-L10 WeakPolarHBondContact O-CD1 2.88Å; A6-L10 PolarHBondContact O-N 2.96Å |
| 7 | F | 70.5 | Confident | 53.7 | Low | 143 Ų | 143 | 105.7 Ų | 105.7 | 63% | 0.627 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.2 | -38.6 | 175.2 | -160.4 | -93.1 | 0 | 0 | 0 | 112.4 | T3 F4 W5 C11 | T3-F7 WeakPolarHBondContact O-CB 3.45Å; T3-F7 PolarHBondContact O-N 3.3Å; F4-F7 PolarHBondContact O-N 3.21Å; W5-F7 VanDerWaalsContact C-N 3.33Å; W5-F7 PolarHBondContact O-N 3.1Å; F7-C11 VanDerWaalsContact O-CB 3.31Å; F7-C11 WeakPolarHBondContact O-CB 3.29Å; F7-C11 PolarHBondContact O-N 3.45Å; F7-C11 PolarHBondContact O-SG 3.37Å |
| 8 | L | 61.9 | Low | 53 | Low | 93 Ų | 93 | 111.4 Ų | 111.4 | 49% | 0.487 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69 | -37.1 | 173.7 | -99.4 | 153 | 0 | 0 | 0 | 113.1 | F4 W5 C11 S12 | F4-L8 HydrophobicContact CD1-CD1 3.75Å; F4-L8 HydrophobicContact CE1-CD1 3.5Å; F4-L8 VanDerWaalsContact CE1-CD1 3.5Å; F4-L8 HydrophobicContact CZ-CD1 4.34Å; F4-L8 WeakPolarHBondContact O-CB 3.28Å; F4-L8 PolarHBondContact O-N 3.42Å; W5-L8 PolarHBondContact O-N 3.1Å; L8-C11 PolarHBondContact O-N 2.91Å; L8-S12 WeakPolarHBondContact O-CB 3.37Å; L8-S12 PolarHBondContact O-N 2.73Å; L8-S12 PolarHBondContact O-OG 2.87Å |
| 9 | V | 64.7 | Low | 52.6 | Low | 73 Ų | 73 | 110.4 Ų | 110.4 | 44% | 0.442 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.1 | -41.1 | 173.9 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | W5 A6 S12 T13 | W5-V9 HydrophobicContact CE3-CG2 4.43Å; W5-V9 WeakPolarHBondContact O-CB 3.41Å; W5-V9 VanDerWaalsContact O-CG2 3.25Å; W5-V9 WeakPolarHBondContact O-CG2 3.45Å; W5-V9 PolarHBondContact O-N 3.48Å; A6-V9 PolarHBondContact O-N 2.78Å; V9-S12 VanDerWaalsContact CA-OG 3.31Å; V9-S12 WeakPolarHBondContact CA-OG 3.44Å; V9-S12 PolarHBondContact O-N 2.86Å; V9-S12 PolarHBondContact O-OG 2.66Å; V9-S12 VanDerWaalsContact O-OG 3.1Å; V9-T13 HydrophobicContact CG1-CG2 4.33Å; V9-T13 WeakPolarHBondContact O-CB 3.48Å; V9-T13 WeakPolarHBondContact O-CG2 3.45Å; V9-T13 PolarHBondContact O-N 3.3Å; V9-T13 PolarHBondContact O-OG1 3.15Å |
| 10 | L | 52.1 | Low | 52.8 | Low | 118 Ų | 118 | 108.5 Ų | 108.5 | 62% | 0.618 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.6 | -38.2 | 172 | -91.3 | 148.1 | 0 | 0 | 0 | 112.6 | A6 T13 S14 | A6-L10 VanDerWaalsContact O-CB 3.29Å; A6-L10 WeakPolarHBondContact O-CB 3.03Å; A6-L10 WeakPolarHBondContact O-CD1 2.88Å; A6-L10 PolarHBondContact O-N 2.96Å; L10-T13 PolarHBondContact O-OG1 3.31Å; L10-S14 VanDerWaalsContact O-CB 3.25Å; L10-S14 WeakPolarHBondContact O-CB 3.18Å; L10-S14 PolarHBondContact O-N 2.99Å; L10-S14 PolarHBondContact O-OG 3Å |
| 11 | C | 48.1 | Very low | 53.6 | Low | 53 Ų | 53 | 104.9 Ų | 104.9 | 36% | 0.358 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.3 | -32.8 | 174.5 | -71.5 | 0 | 0 | 0 | 0 | 113.1 | F7 L8 S14 L15 | F7-C11 VanDerWaalsContact O-CB 3.31Å; F7-C11 WeakPolarHBondContact O-CB 3.29Å; F7-C11 PolarHBondContact O-N 3.45Å; F7-C11 PolarHBondContact O-SG 3.37Å; L8-C11 PolarHBondContact O-N 2.91Å; C11-S14 WeakPolarHBondContact CA-OG 3.43Å; C11-S14 PolarHBondContact O-OG 2.95Å; C11-L15 WeakPolarHBondContact O-CB 3.43Å; C11-L15 PolarHBondContact O-N 2.76Å; C11-L15 VanDerWaalsContact O-N 3.1Å |
| 12 | S | 47.5 | Very low | 55.5 | Low | 57 Ų | 57 | 97.9 Ų | 97.9 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -78.6 | -38.2 | 176.3 | 45.2 | 0 | 0 | 0 | 0 | 112.6 | L8 V9 L15 D16 | L8-S12 WeakPolarHBondContact O-CB 3.37Å; L8-S12 PolarHBondContact O-N 2.73Å; L8-S12 PolarHBondContact O-OG 2.87Å; V9-S12 VanDerWaalsContact CA-OG 3.31Å; V9-S12 WeakPolarHBondContact CA-OG 3.44Å; V9-S12 PolarHBondContact O-N 2.86Å; V9-S12 PolarHBondContact O-OG 2.66Å; V9-S12 VanDerWaalsContact O-OG 3.1Å; S12-L15 PolarHBondContact O-N 3.31Å; S12-D16 PolarHBondContact O-N 3.21Å |
| 13 | T | 43.5 | Very low | 56.6 | Low | 76 Ų | 76 | 94 Ų | 94 | 47% | 0.466 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.9 | -27.1 | 174.5 | 57.7 | 0 | 0 | 0 | 0 | 113 | V9 L10 T17 | V9-T13 HydrophobicContact CG1-CG2 4.33Å; V9-T13 WeakPolarHBondContact O-CB 3.48Å; V9-T13 WeakPolarHBondContact O-CG2 3.45Å; V9-T13 PolarHBondContact O-N 3.3Å; V9-T13 PolarHBondContact O-OG1 3.15Å; L10-T13 PolarHBondContact O-OG1 3.31Å; T13-T17 PolarHBondContact O-N 3.1Å; T13-T17 PolarHBondContact O-OG1 3Å |
| 14 | S | 42.2 | Very low | 58 | Low | 57 Ų | 57 | 88.4 Ų | 88.4 | 40% | 0.399 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -76.9 | -26.1 | 169.2 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | L10 C11 T17 Y18 | L10-S14 VanDerWaalsContact O-CB 3.25Å; L10-S14 WeakPolarHBondContact O-CB 3.18Å; L10-S14 PolarHBondContact O-N 2.99Å; L10-S14 PolarHBondContact O-OG 3Å; C11-S14 WeakPolarHBondContact CA-OG 3.43Å; C11-S14 PolarHBondContact O-OG 2.95Å; S14-T17 WeakPolarHBondContact CA-OG1 3.36Å; S14-T17 PolarHBondContact O-OG1 3.25Å; S14-Y18 PolarHBondContact O-N 3.34Å |
| 15 | L | 35.9 | Very low | 59.3 | Low | 114 Ų | 114 | 82.2 Ų | 82.2 | 60% | 0.597 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -72.4 | -43.9 | 172 | -123.2 | 75.7 | 0 | 0 | 0 | 111.7 | C11 S12 T17 Y18 L19 | C11-L15 WeakPolarHBondContact O-CB 3.43Å; C11-L15 PolarHBondContact O-N 2.76Å; C11-L15 VanDerWaalsContact O-N 3.1Å; S12-L15 PolarHBondContact O-N 3.31Å; L15-T17 VanDerWaalsContact C-N 3.29Å; L15-T17 PolarHBondContact O-N 3.07Å; L15-Y18 PolarHBondContact O-N 3.33Å; L15-Y18 VanDerWaalsContact O-N 3.13Å; L15-L19 PolarHBondContact O-N 2.69Å |
| 16 | D | 36.5 | Very low | 60.6 | Low | 113 Ų | 113 | 74 Ų | 74 | 60% | 0.604 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67 | -30 | 179.7 | -78.5 | -20.1 | 0 | 0 | 0 | 112.6 | S12 L19 | S12-D16 PolarHBondContact O-N 3.21Å; D16-L19 PolarHBondContact O-N 3.16Å |
| 17 | T | 40.9 | Very low | 61.9 | Low | 100 Ų | 100 | 72.6 Ų | 72.6 | 61% | 0.613 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -75.7 | -28.8 | 172.5 | 37.4 | 0 | 0 | 0 | 0 | 112.7 | T13 S14 L15 L19 S20 | T13-T17 PolarHBondContact O-N 3.1Å; T13-T17 PolarHBondContact O-OG1 3Å; S14-T17 WeakPolarHBondContact CA-OG1 3.36Å; S14-T17 PolarHBondContact O-OG1 3.25Å; L15-T17 VanDerWaalsContact C-N 3.29Å; L15-T17 PolarHBondContact O-N 3.07Å; T17-L19 VanDerWaalsContact C-N 3.3Å; T17-S20 PolarHBondContact O-OG 3.24Å |
| 18 | Y | 41.2 | Very low | 63 | Low | 208 Ų | 208 | 65.8 Ų | 65.8 | 82% | 0.816 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -72.4 | -21.5 | 170.6 | -115.3 | -90.3 | 0 | 0 | 0 | 113.4 | S14 L15 | S14-Y18 PolarHBondContact O-N 3.34Å; L15-Y18 PolarHBondContact O-N 3.33Å; L15-Y18 VanDerWaalsContact O-N 3.13Å |
| 19 | L | 44.6 | Very low | 64.5 | Low | 93 Ų | 93 | 62.2 Ų | 62.2 | 49% | 0.487 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -10.7 | -178.5 | -88.5 | 152 | 0 | 0 | 0 | 114.4 | L15 D16 T17 H1249 | L15-L19 PolarHBondContact O-N 2.69Å; D16-L19 PolarHBondContact O-N 3.16Å; T17-L19 VanDerWaalsContact C-N 3.3Å; L19-H1249 PolarHBondContact O-CD2 2.85Å |
| 20 | S | 56 | Low | 65.9 | Low | 71 Ų | 71 | 59 Ų | 59 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 20.8 | -176.7 | 69.3 | 0 | 0 | 0 | 0 | 115.3 | T17 N22 | T17-S20 PolarHBondContact O-OG 3.24Å; S20-N22 PolarHBondContact O-N 3.21Å |
| 21 | D | 70.2 | Confident | 67.7 | Low | 33 Ų | 33 | 57.9 Ų | 57.9 | 18% | 0.176 | 31% | 0.311 | C | S | . | . | trans | -76.1 | 112.9 | 176.6 | -172.5 | 24.2 | 0 | 0 | 0 | 110.8 | R23 H1208 H1249 | D21-R23 HydrophobicContact CB-CG 4.35Å; D21-R23 WeakPolarHBondContact O-CG 3.48Å; D21-R23 PolarHBondContact O-N 2.91Å; D21-R23 PolarHBondContact O-NE 2.98Å; D21-R23 WeakPolarHBondContact OD2-CD 3.27Å; D21-R23 WeakPolarHBondContact OD2-CG 3.33Å; D21-H1208 VanDerWaalsContact OD1-CA 3.3Å; D21-H1208 WeakPolarHBondContact OD1-CA 3.37Å; D21-H1208 IonicContact OD1-CE1 3.54Å; D21-H1208 IonicContact OD1-CG 2.95Å; D21-H1208 PolarHBondContact OD1-N 3.2Å; D21-H1208 IonicContact OD1-ND1 3.65Å; D21-H1208 PolarHBondContact OD1-ND1 3.44Å; D21-H1249 WeakPolarHBondContact O-CB 3.48Å | ||
| 22 | N | 82.6 | Confident | 69.6 | Low | 27 Ų | 27 | 56.2 Ų | 56.2 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | trans | -74.8 | 115.1 | 177.1 | -67.8 | -42.8 | 0 | 0 | 0 | 110.2 | S20 L1209 G1211 L1241 | S20-N22 PolarHBondContact O-N 3.21Å; N22-L1209 HydrophobicContact CB-CB 4.24Å; N22-L1209 PolarHBondContact ND2-O 3.18Å; N22-L1209 VanDerWaalsContact ND2-O 3.15Å; N22-L1209 PolarHBondContact O-N 3.4Å; N22-G1211 VanDerWaalsContact ND2-CA 3.31Å; N22-G1211 WeakPolarHBondContact ND2-CA 3.26Å; N22-L1241 HydrophobicContact CB-CB 4.03Å; N22-L1241 HydrophobicContact CB-CD1 3.66Å; N22-L1241 HydrophobicContact CB-CG 4.41Å | ||
| 23 | R | 87.7 | Confident | 71.5 | Confident | 69 Ų | 69 | 57.6 Ų | 57.6 | 26% | 0.26 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 142.4 | -170.4 | -63.7 | 172.3 | -66.4 | 171.8 | -2.2 | 112.7 | D21 Y1205 F1206 T1207 Q1248 H1249 L1250 V1251 | D21-R23 HydrophobicContact CB-CG 4.35Å; D21-R23 WeakPolarHBondContact O-CG 3.48Å; D21-R23 PolarHBondContact O-N 2.91Å; D21-R23 PolarHBondContact O-NE 2.98Å; D21-R23 WeakPolarHBondContact OD2-CD 3.27Å; D21-R23 WeakPolarHBondContact OD2-CG 3.33Å; R23-Y1205 WeakPolarHBondContact CD-OH 3.45Å; R23-F1206 VanDerWaalsContact CA-O 3.29Å; R23-F1206 WeakPolarHBondContact CA-O 3.39Å; R23-T1207 HydrophobicContact CG-CG2 4.25Å; R23-Q1248 PolarHBondContact NH2-O 3.09Å; R23-H1249 PolarHBondContact N-O 3.47Å; R23-L1250 HydrophobicContact CB-CD1 3.76Å; R23-V1251 PolarHBondContact O-N 3.07Å |
| 24 | V | 91.5 | Very high | 73.5 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 130.4 | 174.6 | 179.9 | 0 | 0 | 0 | 0 | 109 | V26 L266 F1206 L1209 L1241 V1251 | V24-V26 HydrophobicContact CG1-CG2 4.07Å; V24-L266 HydrophobicContact CB-CD1 4.2Å; V24-L266 HydrophobicContact CG1-CD1 4.39Å; V24-L266 HydrophobicContact CG2-CD1 4.13Å; V24-F1206 HydrophobicContact CB-CB 4.19Å; V24-F1206 HydrophobicContact CB-CD2 4.19Å; V24-F1206 HydrophobicContact CG1-CD2 4.38Å; V24-F1206 PolarHBondContact N-O 3.04Å; V24-F1206 VanDerWaalsContact N-O 3.11Å; V24-F1206 PolarHBondContact O-N 3.49Å; V24-L1209 HydrophobicContact CB-CD1 4.09Å; V24-L1209 HydrophobicContact CG2-CD1 3.53Å; V24-L1241 HydrophobicContact CG2-CD2 4.12Å; V24-V1251 CarbonylContact C-O 3.6Å; V24-V1251 WeakPolarHBondContact CA-O 3.21Å; V24-V1251 HydrophobicContact CG2-CB 4.17Å |
| 25 | S | 92.8 | Very high | 75.8 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 4% | 0.035 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.5 | 178.7 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | A1204 V1251 E1252 A1253 | S25-A1204 WeakPolarHBondContact CA-O 3.31Å; S25-V1251 PolarHBondContact N-O 3.22Å; S25-E1252 WeakPolarHBondContact O-CA 3.25Å; S25-A1253 PolarHBondContact O-N 3.5Å |
| 26 | V | 95.2 | Very high | 78.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 125.7 | -177.6 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | V24 Y262 V264 R1203 A1204 L1217 M1219 A1253 F1255 | V24-V26 HydrophobicContact CG1-CG2 4.07Å; V26-Y262 PolarHBondContact O-OH 3.06Å; V26-V264 HydrophobicContact CB-CG1 4.27Å; V26-V264 HydrophobicContact CB-CG2 4.1Å; V26-V264 HydrophobicContact CG1-CG1 4.41Å; V26-V264 HydrophobicContact CG1-CG2 3.99Å; V26-V264 HydrophobicContact CG2-CG1 3.97Å; V26-R1203 CarbonylContact O-C 3.57Å; V26-R1203 WeakPolarHBondContact O-CA 3.17Å; V26-R1203 WeakPolarHBondContact O-CB 3.14Å; V26-A1204 HydrophobicContact CB-CB 4.28Å; V26-A1204 PolarHBondContact N-O 2.83Å; V26-A1204 PolarHBondContact O-N 3.27Å; V26-L1217 HydrophobicContact CG2-CD1 3.62Å; V26-M1219 HydrophobicContact CG1-SD 4.09Å; V26-A1253 WeakPolarHBondContact CA-O 3.23Å; V26-A1253 HydrophobicContact CG2-CB 4.41Å; V26-F1255 HydrophobicContact CG1-CD2 3.69Å; V26-F1255 HydrophobicContact CG1-CE2 3.84Å |
| 27 | T | 94.1 | Very high | 80.6 | Confident | 20 Ų | 20 | 45.7 Ų | 45.7 | 12% | 0.123 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.9 | -178.7 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | V29 S258 Y262 V1201 A1253 V1254 F1255 | T27-V29 HydrophobicContact CG2-CG1 4.37Å; T27-S258 WeakPolarHBondContact CG2-OG 3.35Å; T27-Y262 WeakPolarHBondContact CA-OH 3.38Å; T27-V1201 HydrophobicContact CG2-CG1 3.83Å; T27-A1253 PolarHBondContact N-O 3.31Å; T27-V1254 CarbonylContact O-C 3.6Å; T27-V1254 WeakPolarHBondContact O-CA 3.09Å; T27-F1255 PolarHBondContact O-N 2.9Å |
| 28 | L | 94.8 | Very high | 83 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.8 | 174.6 | 179.9 | 61.8 | 0 | 0 | 0 | 110.4 | S258 L259 Y262 M1219 W1225 V1227 F1255 L1257 | L28-S258 CarbonylContact O-C 2.95Å; L28-S258 VanDerWaalsContact O-CA 3.31Å; L28-S258 WeakPolarHBondContact O-CA 3.34Å; L28-L259 HydrophobicContact CD2-CD1 4.48Å; L28-L259 HydrophobicContact CG-CB 4.43Å; L28-L259 HydrophobicContact CG-CD1 4.3Å; L28-L259 PolarHBondContact O-N 3.16Å; L28-Y262 HydrophobicContact CB-CD1 3.9Å; L28-Y262 HydrophobicContact CB-CD2 4.48Å; L28-Y262 HydrophobicContact CB-CE1 3.44Å; L28-Y262 VanDerWaalsContact CB-CE1 3.44Å; L28-Y262 HydrophobicContact CB-CE2 4.08Å; L28-Y262 HydrophobicContact CB-CG 4.4Å; L28-Y262 HydrophobicContact CD2-CD1 3.59Å; L28-Y262 HydrophobicContact CD2-CD2 4.42Å; L28-Y262 HydrophobicContact CD2-CE1 4.05Å; L28-Y262 HydrophobicContact CD2-CG 3.79Å; L28-Y262 HydrophobicContact CG-CD1 4.38Å; L28-Y262 HydrophobicContact CG-CE1 4.36Å; L28-Y262 PolarHBondContact N-OH 3.15Å; L28-Y262 VanDerWaalsContact N-OH 3.15Å; L28-M1219 HydrophobicContact CD2-CE 4.47Å; L28-W1225 HydrophobicContact CD2-CE3 3.97Å; L28-W1225 HydrophobicContact CD2-CZ3 3.57Å; L28-V1227 HydrophobicContact CD1-CG1 3.56Å; L28-V1227 HydrophobicContact CD1-CG2 4.18Å; L28-V1227 HydrophobicContact CD2-CG2 4.45Å; L28-F1255 CarbonylContact C-O 3.51Å; L28-F1255 WeakPolarHBondContact CA-O 3.4Å; L28-F1255 HydrophobicContact CD1-CB 3.7Å; L28-L1257 HydrophobicContact CD1-CB 4.38Å |
| 29 | V | 93.3 | Very high | 85.4 | Confident | 18 Ų | 18 | 31.5 Ų | 31.5 | 11% | 0.109 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 152.9 | 177 | -61.3 | 0 | 0 | 0 | 0 | 111 | T27 T257 I1230 V1254 F1255 E1256 L1257 | T27-V29 HydrophobicContact CG2-CG1 4.37Å; V29-T257 WeakPolarHBondContact CA-O 3.5Å; V29-I1230 HydrophobicContact CG2-CD1 4.07Å; V29-V1254 HydrophobicContact CG1-CG1 4.43Å; V29-V1254 HydrophobicContact CG2-CG1 4.22Å; V29-F1255 WeakPolarHBondContact CG2-O 3.45Å; V29-F1255 PolarHBondContact N-O 2.81Å; V29-E1256 CarbonylContact O-C 3.55Å; V29-E1256 WeakPolarHBondContact O-CA 3.34Å; V29-L1257 PolarHBondContact O-N 2.92Å |
| 30 | P | 92.6 | Very high | 87.7 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.032 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 158.6 | 172.4 | 33.4 | -31.2 | 0 | 0 | 0 | 111.7 | W32 T257 L259 | P30-W32 HydrophobicContact CB-CD2 3.58Å; P30-W32 VanDerWaalsContact CB-CE2 3.45Å; P30-W32 HydrophobicContact CB-CE3 3.82Å; P30-W32 HydrophobicContact CB-CG 4.16Å; P30-W32 HydrophobicContact CB-CH2 3.89Å; P30-W32 HydrophobicContact CB-CZ2 3.63Å; P30-W32 HydrophobicContact CB-CZ3 3.97Å; P30-W32 HydrophobicContact CG-CD2 4.29Å; P30-W32 HydrophobicContact CG-CG 4.45Å; P30-W32 HydrophobicContact CG-CZ2 4.39Å; P30-W32 PolarHBondContact O-N 3.26Å; P30-T257 WeakPolarHBondContact CD-O 3.04Å; P30-L259 HydrophobicContact CB-CD1 4.1Å; P30-L259 HydrophobicContact CB-CD2 4.33Å; P30-L259 HydrophobicContact CG-CD2 4.02Å; P30-L259 HydrophobicContact CG-CG 4.4Å |
| 31 | K | 90 | Very high | 89.5 | Confident | 96 Ų | 96 | 23.7 Ų | 23.7 | 42% | 0.417 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -67.1 | -22 | 171.9 | -170.2 | 175.9 | -178.7 | -176.7 | 0 | 113.9 | E1256 L1257 E1258 Y1259 | K31-E1256 WeakPolarHBondContact CA-OE1 3.47Å; K31-E1256 HydrophobicContact CB-CG 4.25Å; K31-L1257 WeakPolarHBondContact CB-O 3.42Å; K31-L1257 PolarHBondContact N-O 3.38Å; K31-E1258 WeakPolarHBondContact CD-O 3.19Å; K31-Y1259 PolarHBondContact NZ-OH 3.43Å |
| 32 | W | 89.2 | Confident | 90.7 | Very high | 17 Ų | 17 | 22.1 Ų | 22.1 | 6% | 0.064 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -88.7 | 157.5 | 176.1 | 60.1 | 90.3 | 0 | 0 | 0 | 112.2 | P30 S126 P127 E130 L1257 P1308 F1348 | P30-W32 HydrophobicContact CB-CD2 3.58Å; P30-W32 VanDerWaalsContact CB-CE2 3.45Å; P30-W32 HydrophobicContact CB-CE3 3.82Å; P30-W32 HydrophobicContact CB-CG 4.16Å; P30-W32 HydrophobicContact CB-CH2 3.89Å; P30-W32 HydrophobicContact CB-CZ2 3.63Å; P30-W32 HydrophobicContact CB-CZ3 3.97Å; P30-W32 HydrophobicContact CG-CD2 4.29Å; P30-W32 HydrophobicContact CG-CG 4.45Å; P30-W32 HydrophobicContact CG-CZ2 4.39Å; P30-W32 PolarHBondContact O-N 3.26Å; W32-S126 PolarHBondContact NE1-OG 2.97Å; W32-P127 HydrophobicContact CZ2-CG 4.14Å; W32-E130 HydrophobicContact CB-CG 3.76Å; W32-E130 HydrophobicContact CD2-CG 4.32Å; W32-E130 HydrophobicContact CG-CB 4.24Å; W32-E130 HydrophobicContact CG-CG 3.79Å; W32-L1257 HydrophobicContact CH2-CD2 3.85Å; W32-L1257 HydrophobicContact CZ3-CD2 4.32Å; W32-P1308 HydrophobicContact CD2-CG 4.3Å; W32-P1308 HydrophobicContact CE3-CG 3.94Å; W32-P1308 HydrophobicContact CH2-CG 4.02Å; W32-P1308 HydrophobicContact CZ2-CG 4.38Å; W32-P1308 HydrophobicContact CZ3-CG 3.8Å; W32-F1348 HydrophobicContact CH2-CD1 4.49Å; W32-F1348 AromaticContact CH2-CE1 3.66Å; W32-F1348 HydrophobicContact CH2-CE1 3.66Å; W32-F1348 HydrophobicContact CH2-CZ 4.35Å; W32-F1348 AromaticContact CZ2-CE1 3.67Å; W32-F1348 HydrophobicContact CZ2-CE1 3.67Å; W32-F1348 AromaticContact CZ2-CZ 3.89Å; W32-F1348 HydrophobicContact CZ2-CZ 3.89Å |
| 33 | K | 87.6 | Confident | 91.2 | Very high | 87 Ų | 87 | 21.2 Ų | 21.2 | 38% | 0.378 | 10% | 0.102 | S | C | . | . | P | Polyproline II helix | trans | -70.1 | 159.4 | -179.5 | -59.9 | -177.2 | 179.7 | -175.3 | 0 | 111.8 | T35 R252 | K33-T35 PolarHBondContact O-N 3.25Å; K33-R252 HydrophobicContact CB-CB 4.12Å; K33-R252 HydrophobicContact CD-CB 3.82Å; K33-R252 PolarHBondContact O-NH1 3.5Å |
| 34 | N | 85.6 | Confident | 91.5 | Very high | 43 Ų | 43 | 18 Ų | 18 | 23% | 0.23 | 9% | 0.09 | C | C | . | . | P | Polyproline II helix | trans | -52.1 | 130.7 | 178.4 | -178.6 | 34.2 | 0 | 0 | 0 | 112.5 | R123 S255 T257 | N34-R123 PolarHBondContact OD1-NH2 2.86Å; N34-S255 WeakPolarHBondContact CB-O 3.34Å; N34-T257 VanDerWaalsContact CA-OG1 3.25Å; N34-T257 WeakPolarHBondContact CA-OG1 3.44Å; N34-T257 VanDerWaalsContact CB-OG1 3.29Å; N34-T257 WeakPolarHBondContact CB-OG1 3.34Å; N34-T257 VanDerWaalsContact CG-OG1 3.24Å; N34-T257 PolarHBondContact OD1-OG1 2.9Å |
| 35 | T | 88.6 | Confident | 91.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.09 | C | C | . | . | P | Polyproline II helix | trans | -91 | 130.9 | 176.3 | 41.1 | 0 | 0 | 0 | 0 | 110 | K33 E40 R123 S126 V129 | K33-T35 PolarHBondContact O-N 3.25Å; T35-E40 WeakPolarHBondContact CB-OE1 3.46Å; T35-E40 PolarHBondContact OG1-OE1 3.12Å; T35-R123 PolarHBondContact O-NH2 3.14Å; T35-R123 PolarHBondContact OG1-NH2 3.3Å; T35-S126 VanDerWaalsContact OG1-CB 3.28Å; T35-S126 WeakPolarHBondContact OG1-CB 3.22Å; T35-S126 PolarHBondContact OG1-OG 3.02Å; T35-V129 HydrophobicContact CG2-CB 3.98Å; T35-V129 HydrophobicContact CG2-CG1 3.84Å |
| 36 | P | 87.6 | Confident | 91.3 | Very high | 39 Ų | 39 | 18.7 Ų | 18.7 | 25% | 0.253 | 10% | 0.096 | S | C | . | . | P | Polyproline II helix | trans | -63.9 | 138.3 | -177.3 | -24.9 | 34.9 | 0 | 0 | 0 | 113.3 | L38 S39 E40 F249 | P36-L38 VanDerWaalsContact C-N 3.27Å; P36-L38 PolarHBondContact O-N 3.43Å; P36-S39 WeakPolarHBondContact O-CB 3.49Å; P36-S39 PolarHBondContact O-N 3.43Å; P36-E40 PolarHBondContact O-N 2.85Å; P36-E40 VanDerWaalsContact O-N 3.15Å; P36-F249 HydrophobicContact CG-CD1 4.22Å; P36-F249 HydrophobicContact CG-CE1 3.77Å; P36-F249 HydrophobicContact CG-CZ 4.12Å |
| 37 | L | 86.8 | Confident | 90.8 | Very high | 27 Ų | 27 | 23.9 Ų | 23.9 | 14% | 0.141 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -52.6 | -42.7 | 178.8 | -177.8 | 66.1 | 0 | 0 | 0 | 112.9 | S39 E40 A41 E88 V120 L1187 | L37-S39 VanDerWaalsContact C-N 3.26Å; L37-S39 PolarHBondContact O-N 2.95Å; L37-E40 PolarHBondContact O-N 3.04Å; L37-A41 WeakPolarHBondContact O-CB 3.16Å; L37-A41 PolarHBondContact O-N 3.26Å; L37-E88 HydrophobicContact CD2-CB 3.9Å; L37-E88 HydrophobicContact CD2-CG 4.25Å; L37-V120 HydrophobicContact CD1-CG1 3.21Å; L37-L1187 HydrophobicContact CD1-CD1 3.89Å |
| 38 | L | 91 | Very high | 90.3 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 5% | 0.047 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.6 | -36.6 | 178.5 | -176.3 | 65.5 | 0 | 0 | 0 | 112.2 | P36 S42 F56 I60 I67 V91 L220 | P36-L38 VanDerWaalsContact C-N 3.27Å; P36-L38 PolarHBondContact O-N 3.43Å; L38-S42 WeakPolarHBondContact O-CB 3.49Å; L38-S42 PolarHBondContact O-N 3.21Å; L38-F56 HydrophobicContact CD1-CZ 4.24Å; L38-I60 HydrophobicContact CD1-CD1 3.69Å; L38-I60 HydrophobicContact CD1-CG1 4.11Å; L38-I60 HydrophobicContact CD2-CG2 4.38Å; L38-I60 HydrophobicContact CG-CD1 4.41Å; L38-I67 HydrophobicContact CD1-CD1 4.45Å; L38-I67 HydrophobicContact CD2-CG2 4.17Å; L38-V91 HydrophobicContact CD1-CG1 4.38Å; L38-V91 HydrophobicContact CD1-CG2 4.1Å; L38-L220 HydrophobicContact CD2-CB 3.86Å; L38-L220 HydrophobicContact CG-CB 4.36Å |
| 39 | S | 92.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -73 | -45.6 | 179.6 | -60.6 | 0 | 0 | 0 | 0 | 110.7 | P36 L37 A41 S42 E43 H247 F249 | P36-S39 WeakPolarHBondContact O-CB 3.49Å; P36-S39 PolarHBondContact O-N 3.43Å; L37-S39 VanDerWaalsContact C-N 3.26Å; L37-S39 PolarHBondContact O-N 2.95Å; S39-A41 VanDerWaalsContact C-N 3.32Å; S39-A41 PolarHBondContact O-N 3.3Å; S39-S42 WeakPolarHBondContact O-CB 3.32Å; S39-S42 PolarHBondContact O-N 2.73Å; S39-S42 VanDerWaalsContact O-N 3.09Å; S39-S42 PolarHBondContact O-OG 3.36Å; S39-E43 PolarHBondContact O-N 3.07Å; S39-H247 VanDerWaalsContact CB-CE1 3.48Å; S39-H247 WeakPolarHBondContact CB-CE1 3.4Å; S39-F249 WeakPolarHBondContact OG-CZ 3.42Å |
| 40 | E | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.8 | -40.5 | 174.6 | -68.7 | -175.8 | -145.4 | 0 | 0 | 112.4 | T35 P36 L37 S42 E43 Y44 R123 F125 V129 | T35-E40 WeakPolarHBondContact CB-OE1 3.46Å; T35-E40 PolarHBondContact OG1-OE1 3.12Å; P36-E40 PolarHBondContact O-N 2.85Å; P36-E40 VanDerWaalsContact O-N 3.15Å; L37-E40 PolarHBondContact O-N 3.04Å; E40-S42 VanDerWaalsContact C-N 3.31Å; E40-S42 PolarHBondContact O-N 3.03Å; E40-E43 PolarHBondContact O-N 3.03Å; E40-Y44 PolarHBondContact O-N 2.94Å; E40-R123 IonicContact OE1-CZ 3.32Å; E40-R123 IonicContact OE1-NE 2.66Å; E40-R123 PolarHBondContact OE1-NE 2.9Å; E40-R123 IonicContact OE1-NH2 3.26Å; E40-R123 PolarHBondContact OE1-NH2 2.67Å; E40-R123 WeakPolarHBondContact OE2-CA 3.37Å; E40-R123 IonicContact OE2-NE 3.85Å; E40-R123 PolarHBondContact OE2-NE 3.5Å; E40-R123 VanDerWaalsContact OE2-NE 3.13Å; E40-F125 HydrophobicContact CB-CB 4.25Å; E40-F125 HydrophobicContact CG-CB 4.39Å; E40-V129 HydrophobicContact CG-CG2 4.16Å |
| 41 | A | 93.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | L37 S39 E43 Y44 V45 F56 V91 F116 | L37-A41 WeakPolarHBondContact O-CB 3.16Å; L37-A41 PolarHBondContact O-N 3.26Å; S39-A41 VanDerWaalsContact C-N 3.32Å; S39-A41 PolarHBondContact O-N 3.3Å; A41-E43 VanDerWaalsContact C-N 3.32Å; A41-E43 PolarHBondContact O-N 3.5Å; A41-Y44 WeakPolarHBondContact O-CB 3.47Å; A41-Y44 PolarHBondContact O-N 3.32Å; A41-V45 WeakPolarHBondContact O-CG2 3.37Å; A41-V45 PolarHBondContact O-N 3.48Å; A41-F56 HydrophobicContact CB-CZ 4.34Å; A41-V91 HydrophobicContact CB-CG1 3.42Å; A41-V91 VanDerWaalsContact CB-CG1 3.42Å; A41-F116 HydrophobicContact CB-CE2 3.96Å; A41-F116 HydrophobicContact CB-CZ 3.81Å |
| 42 | S | 94.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.4 | -37.1 | 177.1 | 81.5 | 0 | 0 | 0 | 0 | 112.3 | L38 S39 E40 V45 A46 H247 | L38-S42 WeakPolarHBondContact O-CB 3.49Å; L38-S42 PolarHBondContact O-N 3.21Å; S39-S42 WeakPolarHBondContact O-CB 3.32Å; S39-S42 PolarHBondContact O-N 2.73Å; S39-S42 VanDerWaalsContact O-N 3.09Å; S39-S42 PolarHBondContact O-OG 3.36Å; E40-S42 VanDerWaalsContact C-N 3.31Å; E40-S42 PolarHBondContact O-N 3.03Å; S42-V45 PolarHBondContact O-N 3.42Å; S42-A46 WeakPolarHBondContact O-CB 3.31Å; S42-A46 PolarHBondContact O-N 3.16Å; S42-H247 PolarHBondContact OG-CE1 2.82Å; S42-H247 VanDerWaalsContact OG-CE1 3.29Å; S42-H247 PolarHBondContact OG-NE2 3.14Å |
| 43 | E | 93.9 | Very high | 88.3 | Confident | 9 Ų | 9 | 25.8 Ų | 25.8 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.6 | -40 | 174.4 | -66.1 | -61.8 | 164.2 | 0 | 0 | 112.2 | S39 E40 A41 V45 A46 R47 F125 T128 V129 K199 H247 | S39-E43 PolarHBondContact O-N 3.07Å; E40-E43 PolarHBondContact O-N 3.03Å; A41-E43 VanDerWaalsContact C-N 3.32Å; A41-E43 PolarHBondContact O-N 3.5Å; E43-V45 VanDerWaalsContact C-N 3.35Å; E43-V45 PolarHBondContact O-N 3.39Å; E43-A46 PolarHBondContact O-N 2.93Å; E43-R47 WeakPolarHBondContact O-CB 3.45Å; E43-R47 PolarHBondContact O-N 3.27Å; E43-F125 HydrophobicContact CB-CB 3.78Å; E43-F125 HydrophobicContact CB-CD1 3.65Å; E43-F125 HydrophobicContact CB-CG 3.85Å; E43-F125 HydrophobicContact CG-CB 4.44Å; E43-T128 HydrophobicContact CG-CG2 4.19Å; E43-V129 HydrophobicContact CG-CG2 3.76Å; E43-K199 IonicContact OE1-NZ 2.87Å; E43-K199 PolarHBondContact OE1-NZ 3.01Å; E43-K199 WeakPolarHBondContact OE2-CE 3.44Å; E43-K199 IonicContact OE2-NZ 3.24Å; E43-K199 PolarHBondContact OE2-NZ 2.91Å; E43-H247 IonicContact OE1-CD2 4Å; E43-H247 PolarHBondContact OE1-CD2 3.14Å; E43-H247 IonicContact OE1-NE2 2.91Å; E43-H247 PolarHBondContact OE1-NE2 3.48Å |
| 44 | Y | 92.8 | Very high | 88.5 | Confident | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.7 | -48.1 | 172.2 | 178.1 | -85 | 0 | 0 | 0 | 111.2 | E40 A41 A46 R47 E48 I99 F116 F125 | E40-Y44 PolarHBondContact O-N 2.94Å; A41-Y44 WeakPolarHBondContact O-CB 3.47Å; A41-Y44 PolarHBondContact O-N 3.32Å; Y44-A46 PolarHBondContact O-N 3.42Å; Y44-R47 PolarHBondContact O-N 2.93Å; Y44-E48 HydrophobicContact CD1-CG 4.42Å; Y44-E48 HydrophobicContact CE1-CG 3.99Å; Y44-E48 PolarHBondContact O-N 2.87Å; Y44-E48 VanDerWaalsContact O-N 3.14Å; Y44-I99 HydrophobicContact CD1-CD1 4.18Å; Y44-I99 HydrophobicContact CE1-CD1 3.79Å; Y44-F116 AromaticContact CD1-CD2 3.5Å; Y44-F116 HydrophobicContact CD1-CD2 3.5Å; Y44-F116 VanDerWaalsContact CD1-CD2 3.5Å; Y44-F116 HydrophobicContact CD1-CE2 4.11Å; Y44-F116 HydrophobicContact CE1-CB 4.08Å; Y44-F116 AromaticContact CE1-CD2 3.68Å; Y44-F116 HydrophobicContact CE1-CD2 3.68Å; Y44-F116 HydrophobicContact CE1-CG 4.39Å; Y44-F116 AromaticContact CG-CD2 3.99Å; Y44-F116 HydrophobicContact CG-CD2 3.99Å; Y44-F116 HydrophobicContact CG-CE2 4.43Å; Y44-F125 AromaticContact CD2-CE2 3.65Å; Y44-F125 HydrophobicContact CD2-CE2 3.65Å; Y44-F125 AromaticContact CD2-CZ 3.97Å; Y44-F125 HydrophobicContact CD2-CZ 3.97Å; Y44-F125 HydrophobicContact CG-CE2 4.18Å; Y44-F125 HydrophobicContact CG-CZ 4.44Å |
| 45 | V | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 179.7 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | A41 S42 E43 R47 E48 S49 A52 F56 A95 A98 I99 | A41-V45 WeakPolarHBondContact O-CG2 3.37Å; A41-V45 PolarHBondContact O-N 3.48Å; S42-V45 PolarHBondContact O-N 3.42Å; E43-V45 VanDerWaalsContact C-N 3.35Å; E43-V45 PolarHBondContact O-N 3.39Å; V45-R47 VanDerWaalsContact C-N 3.29Å; V45-R47 PolarHBondContact O-N 2.9Å; V45-E48 WeakPolarHBondContact O-CB 3.48Å; V45-E48 PolarHBondContact O-N 3.21Å; V45-E48 VanDerWaalsContact O-N 3.14Å; V45-S49 PolarHBondContact O-N 3.06Å; V45-A52 VanDerWaalsContact CG1-C 3.49Å; V45-A52 HydrophobicContact CG1-CB 3.7Å; V45-F56 HydrophobicContact CB-CD1 4.5Å; V45-F56 HydrophobicContact CG1-CB 4.03Å; V45-F56 HydrophobicContact CG1-CG 4.45Å; V45-F56 HydrophobicContact CG2-CD1 4.32Å; V45-F56 HydrophobicContact CG2-CD2 4.48Å; V45-F56 HydrophobicContact CG2-CG 4.27Å; V45-A95 HydrophobicContact CG2-CB 3.61Å; V45-A98 HydrophobicContact CG1-CB 4.39Å; V45-I99 HydrophobicContact CG1-CG1 4.19Å; V45-I99 HydrophobicContact CG2-CD1 4.19Å; V45-I99 HydrophobicContact CG2-CG1 4.44Å |
| 46 | A | 88.7 | Confident | 89 | Confident | 19 Ų | 19 | 24.3 Ų | 24.3 | 16% | 0.157 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61 | -39 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S42 E43 Y44 E48 S49 F53 K199 | S42-A46 WeakPolarHBondContact O-CB 3.31Å; S42-A46 PolarHBondContact O-N 3.16Å; E43-A46 PolarHBondContact O-N 2.93Å; Y44-A46 PolarHBondContact O-N 3.42Å; A46-E48 VanDerWaalsContact C-N 3.28Å; A46-E48 PolarHBondContact O-N 2.87Å; A46-S49 CarbonylContact O-C 3.46Å; A46-S49 PolarHBondContact O-N 2.69Å; A46-F53 HydrophobicContact CB-CB 4.01Å; A46-F53 HydrophobicContact CB-CD2 3.89Å; A46-F53 HydrophobicContact CB-CG 4.13Å; A46-K199 HydrophobicContact CB-CD 4.47Å; A46-K199 HydrophobicContact CB-CG 3.84Å |
| 47 | R | 85.5 | Confident | 89.3 | Confident | 109 Ų | 109 | 22.4 Ų | 22.4 | 41% | 0.411 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -67.5 | -28.2 | 176.4 | -164.4 | 62.9 | 170.8 | 167.4 | -0.3 | 112.9 | E43 Y44 V45 F125 | E43-R47 WeakPolarHBondContact O-CB 3.45Å; E43-R47 PolarHBondContact O-N 3.27Å; Y44-R47 PolarHBondContact O-N 2.93Å; V45-R47 VanDerWaalsContact C-N 3.29Å; V45-R47 PolarHBondContact O-N 2.9Å; R47-F125 HydrophobicContact CB-CE1 4.15Å; R47-F125 HydrophobicContact CB-CZ 4.48Å; R47-F125 HydrophobicContact CG-CE1 4.4Å |
| 48 | E | 82.4 | Confident | 89.5 | Confident | 31 Ų | 31 | 24.1 Ų | 24.1 | 15% | 0.145 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -75 | -48.4 | 173.2 | -76.3 | -59.8 | 104.9 | 0 | 0 | 112.3 | Y44 V45 A46 I99 R446 K450 | Y44-E48 HydrophobicContact CD1-CG 4.42Å; Y44-E48 HydrophobicContact CE1-CG 3.99Å; Y44-E48 PolarHBondContact O-N 2.87Å; Y44-E48 VanDerWaalsContact O-N 3.14Å; V45-E48 WeakPolarHBondContact O-CB 3.48Å; V45-E48 PolarHBondContact O-N 3.21Å; V45-E48 VanDerWaalsContact O-N 3.14Å; A46-E48 VanDerWaalsContact C-N 3.28Å; A46-E48 PolarHBondContact O-N 2.87Å; E48-I99 HydrophobicContact CB-CD1 4.22Å; E48-I99 HydrophobicContact CB-CG1 4.19Å; E48-I99 HydrophobicContact CG-CD1 4.03Å; E48-R446 WeakPolarHBondContact OE1-CD 3.36Å; E48-R446 VanDerWaalsContact OE1-CG 3.29Å; E48-R446 WeakPolarHBondContact OE1-CG 3.47Å; E48-R446 IonicContact OE1-NE 2.76Å; E48-K450 WeakPolarHBondContact OE1-CE 3.32Å; E48-K450 IonicContact OE1-NZ 3.09Å; E48-K450 PolarHBondContact OE1-NZ 3.46Å; E48-K450 WeakPolarHBondContact OE2-CE 3.35Å; E48-K450 IonicContact OE2-NZ 3.81Å |
| 49 | S | 79 | Confident | 89.5 | Confident | 48 Ų | 48 | 25.2 Ų | 25.2 | 34% | 0.336 | 13% | 0.128 | S | C | . | . | trans | -162.3 | 132.1 | 173.8 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | V45 A46 S51 A52 F53 | V45-S49 PolarHBondContact O-N 3.06Å; A46-S49 CarbonylContact O-C 3.46Å; A46-S49 PolarHBondContact O-N 2.69Å; S49-S51 PolarHBondContact O-N 3.33Å; S49-S51 PolarHBondContact OG-N 3.15Å; S49-S51 PolarHBondContact OG-OG 3.39Å; S49-A52 WeakPolarHBondContact O-CB 3.39Å; S49-A52 PolarHBondContact O-N 3.41Å; S49-F53 PolarHBondContact O-N 3.34Å; S49-F53 VanDerWaalsContact O-N 3.1Å | ||
| 50 | N | 82.7 | Confident | 89.5 | Confident | 66 Ų | 66 | 25.1 Ų | 25.1 | 35% | 0.353 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -56.1 | -37.5 | 170.9 | -175.1 | 44.9 | 0 | 0 | 0 | 111.9 | A52 F53 W54 K199 V200 | N50-A52 PolarHBondContact O-N 3.1Å; N50-F53 WeakPolarHBondContact O-CB 3.39Å; N50-F53 PolarHBondContact O-N 2.87Å; N50-W54 PolarHBondContact OD1-NE1 3.07Å; N50-K199 WeakPolarHBondContact OD1-CA 3.4Å; N50-V200 PolarHBondContact ND2-O 3.32Å |
| 51 | S | 80.7 | Confident | 89.5 | Confident | 52 Ų | 52 | 27.2 Ų | 27.2 | 36% | 0.364 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -68.3 | -33.2 | 176.2 | 72.4 | 0 | 0 | 0 | 0 | 113.3 | S49 F53 R55 | S49-S51 PolarHBondContact O-N 3.33Å; S49-S51 PolarHBondContact OG-N 3.15Å; S49-S51 PolarHBondContact OG-OG 3.39Å; S51-F53 VanDerWaalsContact C-N 3.34Å; S51-R55 WeakPolarHBondContact O-CG 3.34Å; S51-R55 PolarHBondContact O-N 3.17Å; S51-R55 PolarHBondContact OG-NH2 3.24Å |
| 52 | A | 85.7 | Confident | 89.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.1 | -33.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V45 S49 N50 W54 R55 F56 I99 | V45-A52 VanDerWaalsContact CG1-C 3.49Å; V45-A52 HydrophobicContact CG1-CB 3.7Å; S49-A52 WeakPolarHBondContact O-CB 3.39Å; S49-A52 PolarHBondContact O-N 3.41Å; N50-A52 PolarHBondContact O-N 3.1Å; A52-W54 PolarHBondContact O-N 3.15Å; A52-R55 PolarHBondContact O-N 3.35Å; A52-F56 WeakPolarHBondContact O-CB 3.5Å; A52-F56 PolarHBondContact O-N 2.88Å; A52-I99 HydrophobicContact CB-CG1 4.36Å |
| 53 | F | 91.3 | Very high | 89 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.3 | -48.5 | 175.7 | 171.5 | -97.7 | 0 | 0 | 0 | 112.1 | A46 S49 N50 S51 R55 F56 L57 K199 F245 | A46-F53 HydrophobicContact CB-CB 4.01Å; A46-F53 HydrophobicContact CB-CD2 3.89Å; A46-F53 HydrophobicContact CB-CG 4.13Å; S49-F53 PolarHBondContact O-N 3.34Å; S49-F53 VanDerWaalsContact O-N 3.1Å; N50-F53 WeakPolarHBondContact O-CB 3.39Å; N50-F53 PolarHBondContact O-N 2.87Å; S51-F53 VanDerWaalsContact C-N 3.34Å; F53-R55 VanDerWaalsContact C-N 3.35Å; F53-R55 PolarHBondContact O-N 3.2Å; F53-F56 WeakPolarHBondContact O-CB 3.27Å; F53-F56 PolarHBondContact O-N 3.21Å; F53-F56 VanDerWaalsContact O-N 3.11Å; F53-L57 HydrophobicContact CD1-CD1 4.44Å; F53-L57 HydrophobicContact CE1-CD1 3.63Å; F53-L57 HydrophobicContact CE1-CG 4.16Å; F53-L57 HydrophobicContact CE2-CD2 4.39Å; F53-L57 HydrophobicContact CE2-CG 4.43Å; F53-L57 HydrophobicContact CZ-CD1 3.69Å; F53-L57 HydrophobicContact CZ-CD2 4.2Å; F53-L57 HydrophobicContact CZ-CG 4.01Å; F53-L57 PolarHBondContact O-N 3.28Å; F53-K199 HydrophobicContact CD1-CB 3.82Å; F53-K199 HydrophobicContact CD1-CG 4Å; F53-K199 HydrophobicContact CD2-CG 4.38Å; F53-K199 HydrophobicContact CE1-CB 3.84Å; F53-K199 HydrophobicContact CE1-CG 4.1Å; F53-K199 HydrophobicContact CE2-CG 4.45Å; F53-K199 HydrophobicContact CG-CB 4.46Å; F53-K199 HydrophobicContact CG-CG 4.16Å; F53-K199 HydrophobicContact CZ-CB 4.49Å; F53-K199 HydrophobicContact CZ-CD 4.45Å; F53-K199 HydrophobicContact CZ-CG 4.34Å; F53-F245 HydrophobicContact CE1-CB 4.38Å; F53-F245 HydrophobicContact CE1-CD1 4.18Å; F53-F245 HydrophobicContact CE2-CD1 4.23Å; F53-F245 HydrophobicContact CE2-CE1 4.44Å; F53-F245 HydrophobicContact CZ-CB 4.4Å; F53-F245 AromaticContact CZ-CD1 3.4Å; F53-F245 HydrophobicContact CZ-CD1 3.4Å; F53-F245 AromaticContact CZ-CE1 3.93Å; F53-F245 HydrophobicContact CZ-CE1 3.93Å; F53-F245 HydrophobicContact CZ-CG 4.1Å |
| 54 | W | 91.5 | Very high | 88.7 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 5% | 0.049 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.6 | -38.3 | 179.3 | -61.6 | 114 | 0 | 0 | 0 | 112.6 | N50 A52 F56 L57 D58 K199 Y201 H229 Y243 F245 | N50-W54 PolarHBondContact OD1-NE1 3.07Å; A52-W54 PolarHBondContact O-N 3.15Å; W54-F56 VanDerWaalsContact C-N 3.32Å; W54-F56 PolarHBondContact O-N 3.39Å; W54-L57 HydrophobicContact CE3-CD1 3.84Å; W54-L57 HydrophobicContact CZ3-CD1 3.83Å; W54-L57 PolarHBondContact O-N 2.62Å; W54-D58 PolarHBondContact O-N 2.67Å; W54-D58 VanDerWaalsContact O-N 3.16Å; W54-K199 HydrophobicContact CZ2-CB 4.18Å; W54-K199 WeakPolarHBondContact CZ2-O 3.37Å; W54-Y201 AromaticContact CD1-CD2 3.79Å; W54-Y201 AromaticContact CD2-CD2 3.96Å; W54-Y201 HydrophobicContact CD2-CD2 3.96Å; W54-Y201 AromaticContact CG-CD2 3.83Å; W54-Y201 HydrophobicContact CG-CD2 3.83Å; W54-Y201 HydrophobicContact CG-CE2 4.49Å; W54-Y201 AromaticContact NE1-CD2 3.9Å; W54-H229 AromaticContact CE3-CE1 3.69Å; W54-H229 AromaticContact CZ3-CE1 3.8Å; W54-Y243 HydrophobicContact CE3-CE1 4.21Å; W54-Y243 AromaticContact CH2-CD1 3.82Å; W54-Y243 HydrophobicContact CH2-CD1 3.82Å; W54-Y243 AromaticContact CH2-CE1 3.38Å; W54-Y243 HydrophobicContact CH2-CE1 3.38Å; W54-Y243 HydrophobicContact CH2-CE2 4.41Å; W54-Y243 HydrophobicContact CH2-CG 4.49Å; W54-Y243 AromaticContact CH2-CZ 3.72Å; W54-Y243 HydrophobicContact CZ2-CE1 4.49Å; W54-Y243 HydrophobicContact CZ3-CD1 4Å; W54-Y243 AromaticContact CZ3-CE1 3.22Å; W54-Y243 HydrophobicContact CZ3-CE1 3.22Å; W54-Y243 AromaticContact CZ3-CZ 3.69Å; W54-F245 HydrophobicContact CH2-CB 4.07Å |
| 55 | R | 90.4 | Very high | 88.3 | Confident | 85 Ų | 85 | 41.3 Ų | 41.3 | 32% | 0.321 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 172.2 | -66.1 | 179 | -136.5 | 142.2 | -1.9 | 111.9 | S51 A52 F53 L57 D58 L59 A98 | S51-R55 WeakPolarHBondContact O-CG 3.34Å; S51-R55 PolarHBondContact O-N 3.17Å; S51-R55 PolarHBondContact OG-NH2 3.24Å; A52-R55 PolarHBondContact O-N 3.35Å; F53-R55 VanDerWaalsContact C-N 3.35Å; F53-R55 PolarHBondContact O-N 3.2Å; R55-L57 VanDerWaalsContact C-N 3.33Å; R55-L57 PolarHBondContact O-N 3.5Å; R55-D58 PolarHBondContact O-N 3.14Å; R55-L59 WeakPolarHBondContact O-CG 3.29Å; R55-L59 PolarHBondContact O-N 3.03Å; R55-A98 HydrophobicContact CB-CB 4.4Å; R55-A98 PolarHBondContact NH1-O 3.46Å |
| 56 | F | 93.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.2 | -41.8 | 178 | -178.8 | -120.6 | 0 | 0 | 0 | 111.2 | L38 A41 V45 A52 F53 W54 D58 L59 I60 V91 L94 A95 A98 | L38-F56 HydrophobicContact CD1-CZ 4.24Å; A41-F56 HydrophobicContact CB-CZ 4.34Å; V45-F56 HydrophobicContact CB-CD1 4.5Å; V45-F56 HydrophobicContact CG1-CB 4.03Å; V45-F56 HydrophobicContact CG1-CG 4.45Å; V45-F56 HydrophobicContact CG2-CD1 4.32Å; V45-F56 HydrophobicContact CG2-CD2 4.48Å; V45-F56 HydrophobicContact CG2-CG 4.27Å; A52-F56 WeakPolarHBondContact O-CB 3.5Å; A52-F56 PolarHBondContact O-N 2.88Å; F53-F56 WeakPolarHBondContact O-CB 3.27Å; F53-F56 PolarHBondContact O-N 3.21Å; F53-F56 VanDerWaalsContact O-N 3.11Å; W54-F56 VanDerWaalsContact C-N 3.32Å; W54-F56 PolarHBondContact O-N 3.39Å; F56-D58 PolarHBondContact O-N 2.83Å; F56-L59 PolarHBondContact O-N 2.74Å; F56-I60 HydrophobicContact CD1-CD1 3.57Å; F56-I60 HydrophobicContact CD2-CD1 4.22Å; F56-I60 HydrophobicContact CD2-CG1 4.35Å; F56-I60 HydrophobicContact CE1-CD1 3.33Å; F56-I60 HydrophobicContact CE1-CG1 4.31Å; F56-I60 HydrophobicContact CE2-CD1 4Å; F56-I60 HydrophobicContact CE2-CG1 4.11Å; F56-I60 HydrophobicContact CG-CD1 4.02Å; F56-I60 HydrophobicContact CZ-CD1 3.56Å; F56-I60 HydrophobicContact CZ-CG1 4.1Å; F56-I60 VanDerWaalsContact O-CG1 3.25Å; F56-I60 WeakPolarHBondContact O-CG1 3.33Å; F56-I60 PolarHBondContact O-N 2.91Å; F56-V91 HydrophobicContact CZ-CG1 4.34Å; F56-L94 HydrophobicContact CD2-CB 4.19Å; F56-L94 HydrophobicContact CE2-CB 3.77Å; F56-A95 HydrophobicContact CD2-CB 4.39Å; F56-A95 HydrophobicContact CE2-CB 3.91Å; F56-A95 HydrophobicContact CZ-CB 4.38Å; F56-A98 HydrophobicContact CB-CB 3.73Å; F56-A98 HydrophobicContact CD2-CB 4.29Å; F56-A98 HydrophobicContact CG-CB 4.47Å |
| 57 | L | 93.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.7 | -43.8 | 172.7 | -65.9 | -171.8 | 0 | 0 | 0 | 112.5 | F53 W54 R55 L59 I60 S61 L220 F225 Y226 | F53-L57 HydrophobicContact CD1-CD1 4.44Å; F53-L57 HydrophobicContact CE1-CD1 3.63Å; F53-L57 HydrophobicContact CE1-CG 4.16Å; F53-L57 HydrophobicContact CE2-CD2 4.39Å; F53-L57 HydrophobicContact CE2-CG 4.43Å; F53-L57 HydrophobicContact CZ-CD1 3.69Å; F53-L57 HydrophobicContact CZ-CD2 4.2Å; F53-L57 HydrophobicContact CZ-CG 4.01Å; F53-L57 PolarHBondContact O-N 3.28Å; W54-L57 HydrophobicContact CE3-CD1 3.84Å; W54-L57 HydrophobicContact CZ3-CD1 3.83Å; W54-L57 PolarHBondContact O-N 2.62Å; R55-L57 VanDerWaalsContact C-N 3.33Å; R55-L57 PolarHBondContact O-N 3.5Å; L57-L59 VanDerWaalsContact C-N 3.29Å; L57-L59 PolarHBondContact O-N 3.39Å; L57-I60 HydrophobicContact CD2-CD1 4.41Å; L57-I60 PolarHBondContact O-N 3.18Å; L57-S61 PolarHBondContact O-N 3.23Å; L57-L220 HydrophobicContact CD2-CD1 4.07Å; L57-L220 HydrophobicContact CD2-CD2 3.6Å; L57-L220 HydrophobicContact CD2-CG 4.45Å; L57-F225 HydrophobicContact CD1-CE1 4.48Å; L57-F225 HydrophobicContact CD1-CZ 4.33Å; L57-F225 HydrophobicContact CD2-CE1 4.49Å; L57-Y226 HydrophobicContact CB-CE1 4.49Å; L57-Y226 WeakPolarHBondContact O-CE1 3.36Å |
| 58 | D | 91.2 | Very high | 87.6 | Confident | 62 Ų | 62 | 44.8 Ų | 44.8 | 33% | 0.332 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.6 | -37 | 177.2 | -68.4 | -34.1 | 0 | 0 | 0 | 112 | W54 R55 F56 H229 K233 | W54-D58 PolarHBondContact O-N 2.67Å; W54-D58 VanDerWaalsContact O-N 3.16Å; R55-D58 PolarHBondContact O-N 3.14Å; F56-D58 PolarHBondContact O-N 2.83Å; D58-H229 IonicContact OD1-NE2 3.74Å; D58-K233 IonicContact OD1-NZ 3.68Å; D58-K233 PolarHBondContact OD1-NZ 3.12Å; D58-K233 IonicContact OD2-NZ 2.72Å; D58-K233 PolarHBondContact OD2-NZ 3.27Å |
| 59 | L | 92.4 | Very high | 87.5 | Confident | 32 Ų | 32 | 47.3 Ų | 47.3 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.9 | -46 | 175.5 | -72.2 | 175.4 | 0 | 0 | 0 | 111.7 | R55 F56 L57 S61 K62 D63 L94 Q97 A98 | R55-L59 WeakPolarHBondContact O-CG 3.29Å; R55-L59 PolarHBondContact O-N 3.03Å; F56-L59 PolarHBondContact O-N 2.74Å; L57-L59 VanDerWaalsContact C-N 3.29Å; L57-L59 PolarHBondContact O-N 3.39Å; L59-S61 VanDerWaalsContact C-N 3.28Å; L59-S61 PolarHBondContact O-N 2.82Å; L59-K62 PolarHBondContact O-N 2.93Å; L59-K62 VanDerWaalsContact O-N 3.14Å; L59-D63 PolarHBondContact O-N 3.21Å; L59-L94 HydrophobicContact CB-CD2 4.24Å; L59-Q97 HydrophobicContact CD1-CB 4.21Å; L59-Q97 HydrophobicContact CD1-CG 4.05Å; L59-A98 HydrophobicContact CD1-CB 4.16Å |
| 60 | I | 92.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.3 | -41 | 176.7 | -66.2 | 160.8 | 0 | 0 | 0 | 110.6 | L38 F56 L57 K62 D63 L64 I67 L94 Y226 | L38-I60 HydrophobicContact CD1-CD1 3.69Å; L38-I60 HydrophobicContact CD1-CG1 4.11Å; L38-I60 HydrophobicContact CD2-CG2 4.38Å; L38-I60 HydrophobicContact CG-CD1 4.41Å; F56-I60 HydrophobicContact CD1-CD1 3.57Å; F56-I60 HydrophobicContact CD2-CD1 4.22Å; F56-I60 HydrophobicContact CD2-CG1 4.35Å; F56-I60 HydrophobicContact CE1-CD1 3.33Å; F56-I60 HydrophobicContact CE1-CG1 4.31Å; F56-I60 HydrophobicContact CE2-CD1 4Å; F56-I60 HydrophobicContact CE2-CG1 4.11Å; F56-I60 HydrophobicContact CG-CD1 4.02Å; F56-I60 HydrophobicContact CZ-CD1 3.56Å; F56-I60 HydrophobicContact CZ-CG1 4.1Å; F56-I60 VanDerWaalsContact O-CG1 3.25Å; F56-I60 WeakPolarHBondContact O-CG1 3.33Å; F56-I60 PolarHBondContact O-N 2.91Å; L57-I60 HydrophobicContact CD2-CD1 4.41Å; L57-I60 PolarHBondContact O-N 3.18Å; I60-K62 PolarHBondContact O-N 3.24Å; I60-K62 VanDerWaalsContact O-N 3.07Å; I60-D63 CarbonylContact O-C 3.5Å; I60-D63 PolarHBondContact O-N 3.29Å; I60-L64 HydrophobicContact CG2-CD1 4.07Å; I60-L64 WeakPolarHBondContact O-CA 3.33Å; I60-L64 PolarHBondContact O-N 3.07Å; I60-I67 HydrophobicContact CB-CD1 4.49Å; I60-I67 HydrophobicContact CG2-CD1 3.68Å; I60-L94 HydrophobicContact CG1-CD1 4.5Å; I60-Y226 WeakPolarHBondContact CB-OH 3.5Å; I60-Y226 HydrophobicContact CG2-CE2 4.47Å; I60-Y226 WeakPolarHBondContact CG2-OH 3.27Å |
| 61 | S | 91.3 | Very high | 86.8 | Confident | 43 Ų | 43 | 46.3 Ų | 46.3 | 30% | 0.301 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -56.1 | -28.9 | 179.2 | -174.1 | 0 | 0 | 0 | 0 | 112.9 | L57 L59 | L57-S61 PolarHBondContact O-N 3.23Å; L59-S61 VanDerWaalsContact C-N 3.28Å; L59-S61 PolarHBondContact O-N 2.82Å |
| 62 | K | 90.5 | Very high | 86 | Confident | 168 Ų | 168 | 48.8 Ų | 48.8 | 73% | 0.73 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -81.7 | -29.2 | 177.8 | -64.6 | 174.8 | -176.4 | 176.8 | 0 | 112.7 | L59 I60 | L59-K62 PolarHBondContact O-N 2.93Å; L59-K62 VanDerWaalsContact O-N 3.14Å; I60-K62 PolarHBondContact O-N 3.24Å; I60-K62 VanDerWaalsContact O-N 3.07Å |
| 63 | D | 88.2 | Confident | 84.8 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 20% | 0.198 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -103.5 | 9 | -176.4 | -85.6 | 11 | 0 | 0 | 0 | 113.5 | L59 I60 D65 F66 I67 R90 L94 | L59-D63 PolarHBondContact O-N 3.21Å; I60-D63 CarbonylContact O-C 3.5Å; I60-D63 PolarHBondContact O-N 3.29Å; D63-D65 VanDerWaalsContact C-N 3.3Å; D63-D65 PolarHBondContact O-N 3.34Å; D63-F66 WeakPolarHBondContact O-CB 3.45Å; D63-F66 PolarHBondContact O-N 3.28Å; D63-F66 VanDerWaalsContact O-N 3.08Å; D63-I67 HydrophobicContact CB-CD1 4.48Å; D63-I67 PolarHBondContact O-N 2.87Å; D63-I67 VanDerWaalsContact O-N 3.15Å; D63-R90 IonicContact OD1-NH2 3.14Å; D63-R90 IonicContact OD2-CZ 3.99Å; D63-R90 IonicContact OD2-NE 2.88Å; D63-R90 PolarHBondContact OD2-NE 3.26Å; D63-R90 IonicContact OD2-NH2 3.92Å; D63-R90 PolarHBondContact OD2-NH2 2.71Å; D63-L94 HydrophobicContact CB-CD1 4.16Å |
| 64 | L | 86.7 | Confident | 83.3 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.5 | -36.3 | -168 | -168 | 63.3 | 0 | 0 | 0 | 113.4 | I60 F66 I67 R68 H223 Y226 | I60-L64 HydrophobicContact CG2-CD1 4.07Å; I60-L64 WeakPolarHBondContact O-CA 3.33Å; I60-L64 PolarHBondContact O-N 3.07Å; L64-F66 VanDerWaalsContact C-N 3.33Å; L64-F66 PolarHBondContact O-N 3.29Å; L64-I67 PolarHBondContact O-N 3.02Å; L64-R68 WeakPolarHBondContact O-CB 3.45Å; L64-R68 PolarHBondContact O-N 2.65Å; L64-H223 HydrophobicContact CD2-CB 4.26Å; L64-Y226 HydrophobicContact CD1-CE2 3.78Å; L64-Y226 HydrophobicContact CD2-CD2 3.56Å; L64-Y226 HydrophobicContact CD2-CE2 3.61Å; L64-Y226 HydrophobicContact CG-CE2 4.29Å |
| 65 | D | 86.1 | Confident | 81.5 | Confident | 102 Ų | 102 | 59.4 Ų | 59.4 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 178.3 | -69 | -29.8 | 0 | 0 | 0 | 111.9 | D63 T69 H223 | D63-D65 VanDerWaalsContact C-N 3.3Å; D63-D65 PolarHBondContact O-N 3.34Å; D65-T69 WeakPolarHBondContact O-CB 3.47Å; D65-T69 PolarHBondContact O-N 3.16Å; D65-T69 VanDerWaalsContact O-N 3.09Å; D65-T69 PolarHBondContact O-OG1 3.12Å; D65-H223 IonicContact OD1-CD2 3.65Å; D65-H223 IonicContact OD1-CE1 2.75Å; D65-H223 IonicContact OD1-NE2 2.72Å; D65-H223 PolarHBondContact OD1-NE2 2.99Å |
| 66 | F | 86.8 | Confident | 80.1 | Confident | 74 Ų | 74 | 60 Ų | 60 | 33% | 0.325 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 174.2 | 174.1 | -88.9 | 0 | 0 | 0 | 110.9 | D63 L64 T69 N70 L86 R90 | D63-F66 WeakPolarHBondContact O-CB 3.45Å; D63-F66 PolarHBondContact O-N 3.28Å; D63-F66 VanDerWaalsContact O-N 3.08Å; L64-F66 VanDerWaalsContact C-N 3.33Å; L64-F66 PolarHBondContact O-N 3.29Å; F66-T69 PolarHBondContact O-N 2.79Å; F66-N70 PolarHBondContact O-N 2.97Å; F66-N70 PolarHBondContact O-ND2 3.24Å; F66-L86 HydrophobicContact CE2-CD2 3.88Å; F66-L86 HydrophobicContact CZ-CD2 3.59Å; F66-L86 HydrophobicContact CZ-CG 3.85Å; F66-R90 HydrophobicContact CD1-CB 4.35Å; F66-R90 HydrophobicContact CD1-CG 3.94Å; F66-R90 HydrophobicContact CE1-CB 3.59Å; F66-R90 HydrophobicContact CE1-CG 3.64Å; F66-R90 HydrophobicContact CZ-CB 4.28Å; F66-R90 HydrophobicContact CZ-CG 4.45Å |
| 67 | I | 82 | Confident | 78.4 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 180 | -70.4 | 167 | 0 | 0 | 0 | 110.2 | L38 I60 D63 L64 T69 N70 L71 L87 L94 | L38-I67 HydrophobicContact CD1-CD1 4.45Å; L38-I67 HydrophobicContact CD2-CG2 4.17Å; I60-I67 HydrophobicContact CB-CD1 4.49Å; I60-I67 HydrophobicContact CG2-CD1 3.68Å; D63-I67 HydrophobicContact CB-CD1 4.48Å; D63-I67 PolarHBondContact O-N 2.87Å; D63-I67 VanDerWaalsContact O-N 3.15Å; L64-I67 PolarHBondContact O-N 3.02Å; I67-T69 VanDerWaalsContact C-N 3.34Å; I67-T69 PolarHBondContact O-N 3.07Å; I67-N70 PolarHBondContact O-N 3.45Å; I67-L71 HydrophobicContact CG2-CD1 3.85Å; I67-L71 HydrophobicContact CG2-CG 4.43Å; I67-L71 WeakPolarHBondContact O-CG 2.94Å; I67-L71 PolarHBondContact O-N 2.92Å; I67-L71 VanDerWaalsContact O-N 3.1Å; I67-L87 HydrophobicContact CB-CD1 4.4Å; I67-L87 HydrophobicContact CG1-CD1 4.29Å; I67-L87 HydrophobicContact CG2-CD1 4.13Å; I67-L94 HydrophobicContact CD1-CD1 4.38Å |
| 68 | R | 80.8 | Confident | 76.8 | Confident | 127 Ų | 127 | 73.3 Ų | 73.3 | 48% | 0.479 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | -179.5 | -170.2 | 178 | 177.4 | -173.4 | 1.3 | 112.7 | L64 N70 L71 | L64-R68 WeakPolarHBondContact O-CB 3.45Å; L64-R68 PolarHBondContact O-N 2.65Å; R68-N70 PolarHBondContact O-N 3.42Å; R68-L71 PolarHBondContact O-N 3.4Å |
| 69 | T | 80.1 | Confident | 75.7 | Confident | 83 Ų | 83 | 74.2 Ų | 74.2 | 51% | 0.509 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.8 | -30.4 | 179.3 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | D65 F66 I67 K83 | D65-T69 WeakPolarHBondContact O-CB 3.47Å; D65-T69 PolarHBondContact O-N 3.16Å; D65-T69 VanDerWaalsContact O-N 3.09Å; D65-T69 PolarHBondContact O-OG1 3.12Å; F66-T69 PolarHBondContact O-N 2.79Å; I67-T69 VanDerWaalsContact C-N 3.34Å; I67-T69 PolarHBondContact O-N 3.07Å; T69-K83 PolarHBondContact O-NZ 3.26Å; T69-K83 VanDerWaalsContact O-NZ 3.11Å |
| 70 | N | 78.5 | Confident | 74.6 | Confident | 16 Ų | 16 | 75 Ų | 75 | 9% | 0.086 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -91.5 | -12.7 | 179.6 | -70.2 | -71.4 | 0 | 0 | 0 | 113.8 | F66 I67 R68 L87 | F66-N70 PolarHBondContact O-N 2.97Å; F66-N70 PolarHBondContact O-ND2 3.24Å; I67-N70 PolarHBondContact O-N 3.45Å; R68-N70 PolarHBondContact O-N 3.42Å; N70-L87 HydrophobicContact CB-CB 4.29Å; N70-L87 HydrophobicContact CB-CD1 4.45Å |
| 71 | L | 69.5 | Low | 73.4 | Confident | 78 Ų | 78 | 76.1 Ų | 76.1 | 41% | 0.408 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -79.9 | -20.9 | 173.6 | -76.4 | 168.7 | 0 | 0 | 0 | 113.9 | I67 R68 P73 L87 | I67-L71 HydrophobicContact CG2-CD1 3.85Å; I67-L71 HydrophobicContact CG2-CG 4.43Å; I67-L71 WeakPolarHBondContact O-CG 2.94Å; I67-L71 PolarHBondContact O-N 2.92Å; I67-L71 VanDerWaalsContact O-N 3.1Å; R68-L71 PolarHBondContact O-N 3.4Å; L71-P73 WeakPolarHBondContact O-CD 3.32Å; L71-L87 HydrophobicContact CD2-CD2 3.72Å; L71-L87 HydrophobicContact CG-CD2 4.19Å |
| 72 | I | 62.9 | Low | 72.6 | Confident | 104 Ų | 104 | 76.3 Ų | 76.3 | 53% | 0.533 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -75.7 | 116.4 | -178.9 | -60.6 | 166.1 | 0 | 0 | 0 | 109.1 | P74 | I72-P74 WeakPolarHBondContact O-CD 3.29Š|
| 73 | P | 61.1 | Low | 71.9 | Confident | 94 Ų | 94 | 70.4 Ų | 70.4 | 61% | 0.61 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 122.5 | -179.2 | 24.3 | -30.6 | 0 | 0 | 0 | 109.8 | L71 L80 | L71-P73 WeakPolarHBondContact O-CD 3.32Å; P73-L80 HydrophobicContact CB-CD1 4.13Å |
| 74 | P | 59.3 | Low | 71.3 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 17% | 0.169 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 162.8 | 172 | 30.1 | -31.2 | 0 | 0 | 0 | 110.8 | I72 D76 L79 L80 K83 | I72-P74 WeakPolarHBondContact O-CD 3.29Å; P74-D76 PolarHBondContact O-N 3.3Å; P74-L79 HydrophobicContact CB-CB 4.07Å; P74-L79 HydrophobicContact CB-CD2 3.69Å; P74-L79 HydrophobicContact CB-CG 4Å; P74-L79 HydrophobicContact CG-CB 3.76Å; P74-L79 HydrophobicContact CG-CD2 4.16Å; P74-L79 HydrophobicContact CG-CG 3.88Å; P74-L80 HydrophobicContact CG-CB 3.89Å; P74-L80 VanDerWaalsContact CG-N 3.31Å; P74-K83 HydrophobicContact CG-CD 4.38Å |
| 75 | A | 54 | Low | 70.9 | Confident | 115 Ų | 115 | 74.6 Ų | 74.6 | 95% | 0.95 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -70.2 | -9.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 76 | D | 61.9 | Low | 70.9 | Confident | 98 Ų | 98 | 73.8 Ų | 73.8 | 52% | 0.524 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -116 | 124.5 | -176.9 | -175.3 | -13.7 | 0 | 0 | 0 | 110.1 | P74 Y78 L79 L80 | P74-D76 PolarHBondContact O-N 3.3Å; D76-Y78 VanDerWaalsContact C-N 3.26Å; D76-Y78 PolarHBondContact O-N 3.34Å; D76-Y78 PolarHBondContact OD1-N 3.48Å; D76-Y78 VanDerWaalsContact OD1-N 3.08Å; D76-L79 HydrophobicContact CB-CB 4.37Å; D76-L79 PolarHBondContact O-N 3.06Å; D76-L80 PolarHBondContact O-N 3.2Å; D76-L80 VanDerWaalsContact O-N 3.12Å |
| 77 | D | 57.4 | Low | 70.7 | Confident | 117 Ų | 117 | 70.8 Ų | 70.8 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -59.3 | -33 | -178 | -70.9 | -22.7 | 0 | 0 | 0 | 112.7 | L80 L81 | D77-L80 WeakPolarHBondContact O-CB 3.33Å; D77-L80 PolarHBondContact O-N 3.38Å; D77-L81 PolarHBondContact O-N 3.2Å; D77-L81 VanDerWaalsContact O-N 3.15Å |
| 78 | Y | 60.5 | Low | 70.8 | Confident | 163 Ų | 163 | 71.5 Ų | 71.5 | 64% | 0.639 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -67.6 | -43.3 | 178.1 | 178.6 | -96.2 | 0 | 0 | 0 | 111.7 | D76 L80 L81 S82 | D76-Y78 VanDerWaalsContact C-N 3.26Å; D76-Y78 PolarHBondContact O-N 3.34Å; D76-Y78 PolarHBondContact OD1-N 3.48Å; D76-Y78 VanDerWaalsContact OD1-N 3.08Å; Y78-L80 PolarHBondContact O-N 3.21Å; Y78-L81 PolarHBondContact O-N 3.24Å; Y78-S82 PolarHBondContact O-N 3.38Å; Y78-S82 PolarHBondContact O-OG 2.88Å |
| 79 | L | 68.1 | Low | 71.1 | Confident | 80 Ų | 80 | 71.2 Ų | 71.2 | 42% | 0.419 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.3 | -30.7 | 177.9 | -170.3 | 61.9 | 0 | 0 | 0 | 110.8 | P74 D76 S82 K83 | P74-L79 HydrophobicContact CB-CB 4.07Å; P74-L79 HydrophobicContact CB-CD2 3.69Å; P74-L79 HydrophobicContact CB-CG 4Å; P74-L79 HydrophobicContact CG-CB 3.76Å; P74-L79 HydrophobicContact CG-CD2 4.16Å; P74-L79 HydrophobicContact CG-CG 3.88Å; D76-L79 HydrophobicContact CB-CB 4.37Å; D76-L79 PolarHBondContact O-N 3.06Å; L79-S82 WeakPolarHBondContact CA-OG 3.32Å; L79-S82 PolarHBondContact O-OG 2.68Å; L79-K83 WeakPolarHBondContact O-CB 3.47Å; L79-K83 WeakPolarHBondContact O-CG 3.45Å; L79-K83 PolarHBondContact O-N 3.42Å |
| 80 | L | 68.8 | Low | 71.6 | Confident | 48 Ų | 48 | 70.7 Ų | 70.7 | 25% | 0.251 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.3 | -47.8 | 175.1 | -180 | 65.3 | 0 | 0 | 0 | 111.5 | P73 P74 D76 D77 Y78 S82 K83 N84 | P73-L80 HydrophobicContact CB-CD1 4.13Å; P74-L80 HydrophobicContact CG-CB 3.89Å; P74-L80 VanDerWaalsContact CG-N 3.31Å; D76-L80 PolarHBondContact O-N 3.2Å; D76-L80 VanDerWaalsContact O-N 3.12Å; D77-L80 WeakPolarHBondContact O-CB 3.33Å; D77-L80 PolarHBondContact O-N 3.38Å; Y78-L80 PolarHBondContact O-N 3.21Å; L80-S82 PolarHBondContact O-N 3.05Å; L80-K83 PolarHBondContact O-N 3.39Å; L80-N84 WeakPolarHBondContact O-CB 3Å; L80-N84 PolarHBondContact O-N 2.77Å; L80-N84 PolarHBondContact O-ND2 3.12Å |
| 81 | L | 67.6 | Low | 72.1 | Confident | 25 Ų | 25 | 70 Ų | 70 | 13% | 0.131 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 179.4 | -175.9 | 66 | 0 | 0 | 0 | 112.2 | D77 Y78 N84 R85 F1188 V1199 | D77-L81 PolarHBondContact O-N 3.2Å; D77-L81 VanDerWaalsContact O-N 3.15Å; Y78-L81 PolarHBondContact O-N 3.24Å; L81-N84 PolarHBondContact O-N 3.03Å; L81-R85 WeakPolarHBondContact O-CG 3.35Å; L81-R85 PolarHBondContact O-N 2.72Å; L81-F1188 HydrophobicContact CD1-CD1 3.53Å; L81-F1188 HydrophobicContact CD1-CE1 4.15Å; L81-F1188 HydrophobicContact CD1-CG 4.36Å; L81-V1199 HydrophobicContact CD1-CG2 4.25Å |
| 82 | S | 72.9 | Confident | 73.1 | Confident | 46 Ų | 46 | 69 Ų | 69 | 32% | 0.322 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 178.7 | 58.2 | 0 | 0 | 0 | 0 | 112.7 | Y78 L79 L80 R85 L86 | Y78-S82 PolarHBondContact O-N 3.38Å; Y78-S82 PolarHBondContact O-OG 2.88Å; L79-S82 WeakPolarHBondContact CA-OG 3.32Å; L79-S82 PolarHBondContact O-OG 2.68Å; L80-S82 PolarHBondContact O-N 3.05Å; S82-R85 PolarHBondContact O-N 2.87Å; S82-L86 PolarHBondContact O-N 3.36Å; S82-L86 VanDerWaalsContact O-N 3.09Å |
| 83 | K | 76.9 | Confident | 74.4 | Confident | 44 Ų | 44 | 67.8 Ų | 67.8 | 19% | 0.191 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 172.4 | -79.7 | -172.6 | 170 | -161.9 | 0 | 112.3 | T69 P74 L79 L80 R85 L86 L87 | T69-K83 PolarHBondContact O-NZ 3.26Å; T69-K83 VanDerWaalsContact O-NZ 3.11Å; P74-K83 HydrophobicContact CG-CD 4.38Å; L79-K83 WeakPolarHBondContact O-CB 3.47Å; L79-K83 WeakPolarHBondContact O-CG 3.45Å; L79-K83 PolarHBondContact O-N 3.42Å; L80-K83 PolarHBondContact O-N 3.39Å; K83-R85 PolarHBondContact O-N 3.4Å; K83-L86 PolarHBondContact O-N 3.18Å; K83-L87 WeakPolarHBondContact O-CB 3.48Å; K83-L87 PolarHBondContact O-N 3.28Å |
| 84 | N | 76.4 | Confident | 75.8 | Confident | 37 Ų | 37 | 63.4 Ų | 63.4 | 20% | 0.198 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 179.2 | -75.3 | -19.5 | 0 | 0 | 0 | 112.2 | L80 L81 L87 E88 F1188 | L80-N84 WeakPolarHBondContact O-CB 3Å; L80-N84 PolarHBondContact O-N 2.77Å; L80-N84 PolarHBondContact O-ND2 3.12Å; L81-N84 PolarHBondContact O-N 3.03Å; N84-L87 PolarHBondContact O-N 3.17Å; N84-E88 PolarHBondContact O-N 2.95Å; N84-F1188 HydrophobicContact CB-CD2 4.26Å; N84-F1188 HydrophobicContact CB-CE1 3.91Å; N84-F1188 HydrophobicContact CB-CE2 3.69Å; N84-F1188 HydrophobicContact CB-CZ 3.5Å; N84-F1188 VanDerWaalsContact CB-CZ 3.5Å |
| 85 | R | 78.2 | Confident | 77.3 | Confident | 90 Ų | 90 | 62.2 Ų | 62.2 | 34% | 0.34 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.4 | -47.1 | 171.6 | -80.8 | 178.7 | 176.6 | 159.8 | 6.3 | 112.2 | L81 S82 K83 L87 E88 K89 F1188 P1189 | L81-R85 WeakPolarHBondContact O-CG 3.35Å; L81-R85 PolarHBondContact O-N 2.72Å; S82-R85 PolarHBondContact O-N 2.87Å; K83-R85 PolarHBondContact O-N 3.4Å; R85-L87 VanDerWaalsContact C-N 3.32Å; R85-L87 PolarHBondContact O-N 3.35Å; R85-E88 PolarHBondContact O-N 3.38Å; R85-K89 WeakPolarHBondContact O-CB 3.48Å; R85-K89 PolarHBondContact O-N 3.37Å; R85-F1188 HydrophobicContact CB-CB 4.49Å; R85-F1188 HydrophobicContact CG-CB 3.31Å; R85-F1188 HydrophobicContact CG-CD2 4.35Å; R85-F1188 HydrophobicContact CG-CG 3.96Å; R85-F1188 PolarHBondContact NE-O 3.04Å; R85-P1189 VanDerWaalsContact CZ-O 3.32Å; R85-P1189 PolarHBondContact NH2-O 2.99Å |
| 86 | L | 84.2 | Confident | 78.9 | Confident | 85 Ų | 85 | 57.2 Ų | 57.2 | 45% | 0.445 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | -179.4 | -166 | 76.3 | 0 | 0 | 0 | 111.3 | F66 S82 K83 K89 R90 | F66-L86 HydrophobicContact CE2-CD2 3.88Å; F66-L86 HydrophobicContact CZ-CD2 3.59Å; F66-L86 HydrophobicContact CZ-CG 3.85Å; S82-L86 PolarHBondContact O-N 3.36Å; S82-L86 VanDerWaalsContact O-N 3.09Å; K83-L86 PolarHBondContact O-N 3.18Å; L86-K89 PolarHBondContact O-N 3Å; L86-R90 PolarHBondContact O-N 3.06Å |
| 87 | L | 83.6 | Confident | 80.2 | Confident | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.1 | -49.9 | 175.3 | -178.6 | 65.3 | 0 | 0 | 0 | 111.5 | I67 N70 L71 K83 N84 R85 K89 R90 V91 | I67-L87 HydrophobicContact CB-CD1 4.4Å; I67-L87 HydrophobicContact CG1-CD1 4.29Å; I67-L87 HydrophobicContact CG2-CD1 4.13Å; N70-L87 HydrophobicContact CB-CB 4.29Å; N70-L87 HydrophobicContact CB-CD1 4.45Å; L71-L87 HydrophobicContact CD2-CD2 3.72Å; L71-L87 HydrophobicContact CG-CD2 4.19Å; K83-L87 WeakPolarHBondContact O-CB 3.48Å; K83-L87 PolarHBondContact O-N 3.28Å; N84-L87 PolarHBondContact O-N 3.17Å; R85-L87 VanDerWaalsContact C-N 3.32Å; R85-L87 PolarHBondContact O-N 3.35Å; L87-K89 VanDerWaalsContact C-N 3.31Å; L87-K89 PolarHBondContact O-N 2.97Å; L87-R90 PolarHBondContact O-N 2.92Å; L87-V91 HydrophobicContact CD1-CG2 4.04Å; L87-V91 HydrophobicContact CG-CG2 4.33Å; L87-V91 WeakPolarHBondContact O-CB 3.34Å; L87-V91 VanDerWaalsContact O-CG2 3.27Å; L87-V91 WeakPolarHBondContact O-CG2 3.34Å; L87-V91 PolarHBondContact O-N 3.36Å |
| 88 | E | 84.1 | Confident | 81.5 | Confident | 15 Ų | 15 | 51.8 Ų | 51.8 | 7% | 0.07 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.8 | -46.7 | 177 | -176.1 | -174.2 | -173.1 | 0 | 0 | 111 | L37 N84 R85 R90 V91 K92 F1188 | L37-E88 HydrophobicContact CD2-CB 3.9Å; L37-E88 HydrophobicContact CD2-CG 4.25Å; N84-E88 PolarHBondContact O-N 2.95Å; R85-E88 PolarHBondContact O-N 3.38Å; E88-R90 PolarHBondContact O-N 3.12Å; E88-V91 PolarHBondContact O-N 3.16Å; E88-K92 VanDerWaalsContact O-CB 3.31Å; E88-K92 WeakPolarHBondContact O-CB 3.41Å; E88-K92 PolarHBondContact O-N 3.08Å; E88-F1188 HydrophobicContact CB-CD2 4.18Å; E88-F1188 HydrophobicContact CB-CE2 4.36Å; E88-F1188 WeakPolarHBondContact OE2-CD2 3.34Å |
| 89 | K | 86.7 | Confident | 82.5 | Confident | 121 Ų | 121 | 44.8 Ų | 44.8 | 53% | 0.526 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.8 | -47.8 | 178 | -175.3 | 177 | 177.8 | 176.6 | 0 | 111.8 | R85 L86 L87 K92 E93 | R85-K89 WeakPolarHBondContact O-CB 3.48Å; R85-K89 PolarHBondContact O-N 3.37Å; L86-K89 PolarHBondContact O-N 3Å; L87-K89 VanDerWaalsContact C-N 3.31Å; L87-K89 PolarHBondContact O-N 2.97Å; K89-K92 WeakPolarHBondContact O-CB 3.43Å; K89-K92 PolarHBondContact O-N 3.19Å; K89-E93 WeakPolarHBondContact CE-OE1 3.22Å; K89-E93 WeakPolarHBondContact O-CG 3.45Å; K89-E93 PolarHBondContact O-N 3.17Å |
| 90 | R | 90.5 | Very high | 82.8 | Confident | 73 Ų | 73 | 42 Ų | 42 | 28% | 0.275 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.3 | -42 | -178.8 | -173 | 57.7 | 178 | 169.6 | 0.8 | 112.2 | D63 F66 L86 L87 E88 K92 E93 L94 | D63-R90 IonicContact OD1-NH2 3.14Å; D63-R90 IonicContact OD2-CZ 3.99Å; D63-R90 IonicContact OD2-NE 2.88Å; D63-R90 PolarHBondContact OD2-NE 3.26Å; D63-R90 IonicContact OD2-NH2 3.92Å; D63-R90 PolarHBondContact OD2-NH2 2.71Å; F66-R90 HydrophobicContact CD1-CB 4.35Å; F66-R90 HydrophobicContact CD1-CG 3.94Å; F66-R90 HydrophobicContact CE1-CB 3.59Å; F66-R90 HydrophobicContact CE1-CG 3.64Å; F66-R90 HydrophobicContact CZ-CB 4.28Å; F66-R90 HydrophobicContact CZ-CG 4.45Å; L86-R90 PolarHBondContact O-N 3.06Å; L87-R90 PolarHBondContact O-N 2.92Å; E88-R90 PolarHBondContact O-N 3.12Å; R90-K92 VanDerWaalsContact C-N 3.29Å; R90-K92 PolarHBondContact O-N 2.72Å; R90-E93 WeakPolarHBondContact CD-OE2 3.31Å; R90-E93 IonicContact CZ-OE2 3.69Å; R90-E93 IonicContact NH1-OE2 3.03Å; R90-E93 PolarHBondContact NH1-OE2 3.38Å; R90-E93 WeakPolarHBondContact O-CB 3.47Å; R90-E93 PolarHBondContact O-N 3.44Å; R90-L94 HydrophobicContact CG-CD1 4.38Å; R90-L94 WeakPolarHBondContact O-CG 3.41Å; R90-L94 PolarHBondContact O-N 3.13Å |
| 91 | V | 90.2 | Very high | 82.7 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -41.5 | 176.2 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | L38 A41 F56 L87 E88 L94 A95 F116 | L38-V91 HydrophobicContact CD1-CG1 4.38Å; L38-V91 HydrophobicContact CD1-CG2 4.1Å; A41-V91 HydrophobicContact CB-CG1 3.42Å; A41-V91 VanDerWaalsContact CB-CG1 3.42Å; F56-V91 HydrophobicContact CZ-CG1 4.34Å; L87-V91 HydrophobicContact CD1-CG2 4.04Å; L87-V91 HydrophobicContact CG-CG2 4.33Å; L87-V91 WeakPolarHBondContact O-CB 3.34Å; L87-V91 VanDerWaalsContact O-CG2 3.27Å; L87-V91 WeakPolarHBondContact O-CG2 3.34Å; L87-V91 PolarHBondContact O-N 3.36Å; E88-V91 PolarHBondContact O-N 3.16Å; V91-L94 PolarHBondContact O-N 2.69Å; V91-A95 VanDerWaalsContact O-CB 3.31Å; V91-A95 WeakPolarHBondContact O-CB 3.36Å; V91-A95 PolarHBondContact O-N 2.91Å; V91-F116 HydrophobicContact CG1-CZ 4.39Å |
| 92 | K | 89.6 | Confident | 82.1 | Confident | 56 Ų | 56 | 46.3 Ų | 46.3 | 24% | 0.243 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.1 | -49.3 | 173 | 179.8 | 170.5 | 66.2 | -174.6 | 0 | 111.9 | E88 K89 R90 L94 A95 I96 F116 T117 | E88-K92 VanDerWaalsContact O-CB 3.31Å; E88-K92 WeakPolarHBondContact O-CB 3.41Å; E88-K92 PolarHBondContact O-N 3.08Å; K89-K92 WeakPolarHBondContact O-CB 3.43Å; K89-K92 PolarHBondContact O-N 3.19Å; R90-K92 VanDerWaalsContact C-N 3.29Å; R90-K92 PolarHBondContact O-N 2.72Å; K92-L94 VanDerWaalsContact C-N 3.33Å; K92-L94 PolarHBondContact O-N 3.14Å; K92-A95 PolarHBondContact O-N 3.3Å; K92-I96 HydrophobicContact CG-CG1 4.24Å; K92-I96 WeakPolarHBondContact O-CB 3.43Å; K92-I96 WeakPolarHBondContact O-CG1 3.3Å; K92-I96 PolarHBondContact O-N 3.17Å; K92-F116 HydrophobicContact CB-CD1 3.85Å; K92-F116 HydrophobicContact CB-CE1 3.56Å; K92-F116 HydrophobicContact CB-CZ 4.38Å; K92-F116 HydrophobicContact CD-CD1 3.89Å; K92-F116 HydrophobicContact CD-CE1 4.39Å; K92-F116 HydrophobicContact CG-CD1 3.57Å; K92-F116 HydrophobicContact CG-CE1 3.86Å; K92-F116 HydrophobicContact CG-CG 4.36Å; K92-T117 WeakPolarHBondContact CD-OG1 3.32Å |
| 93 | E | 90.3 | Very high | 81.4 | Confident | 80 Ų | 80 | 45 Ų | 45 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.9 | -47.2 | 177.9 | -73.7 | 169.7 | -171.9 | 0 | 0 | 111.7 | K89 R90 I96 Q97 | K89-E93 WeakPolarHBondContact CE-OE1 3.22Å; K89-E93 WeakPolarHBondContact O-CG 3.45Å; K89-E93 PolarHBondContact O-N 3.17Å; R90-E93 WeakPolarHBondContact CD-OE2 3.31Å; R90-E93 IonicContact CZ-OE2 3.69Å; R90-E93 IonicContact NH1-OE2 3.03Å; R90-E93 PolarHBondContact NH1-OE2 3.38Å; R90-E93 WeakPolarHBondContact O-CB 3.47Å; R90-E93 PolarHBondContact O-N 3.44Å; E93-I96 PolarHBondContact O-N 3.37Å; E93-Q97 VanDerWaalsContact O-CB 3.27Å; E93-Q97 WeakPolarHBondContact O-CB 3.46Å; E93-Q97 PolarHBondContact O-N 3.01Å |
| 94 | L | 91.2 | Very high | 80.3 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 178.9 | -64.7 | 176.4 | 0 | 0 | 0 | 112.2 | F56 L59 I60 D63 I67 R90 V91 K92 Q97 A98 | F56-L94 HydrophobicContact CD2-CB 4.19Å; F56-L94 HydrophobicContact CE2-CB 3.77Å; L59-L94 HydrophobicContact CB-CD2 4.24Å; I60-L94 HydrophobicContact CG1-CD1 4.5Å; D63-L94 HydrophobicContact CB-CD1 4.16Å; I67-L94 HydrophobicContact CD1-CD1 4.38Å; R90-L94 HydrophobicContact CG-CD1 4.38Å; R90-L94 WeakPolarHBondContact O-CG 3.41Å; R90-L94 PolarHBondContact O-N 3.13Å; V91-L94 PolarHBondContact O-N 2.69Å; K92-L94 VanDerWaalsContact C-N 3.33Å; K92-L94 PolarHBondContact O-N 3.14Å; L94-Q97 PolarHBondContact O-N 2.81Å; L94-A98 WeakPolarHBondContact O-CB 3.4Å; L94-A98 PolarHBondContact O-N 3.35Å |
| 95 | A | 90.1 | Very high | 79.5 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V45 F56 V91 K92 A98 I99 F116 | V45-A95 HydrophobicContact CG2-CB 3.61Å; F56-A95 HydrophobicContact CD2-CB 4.39Å; F56-A95 HydrophobicContact CE2-CB 3.91Å; F56-A95 HydrophobicContact CZ-CB 4.38Å; V91-A95 VanDerWaalsContact O-CB 3.31Å; V91-A95 WeakPolarHBondContact O-CB 3.36Å; V91-A95 PolarHBondContact O-N 2.91Å; K92-A95 PolarHBondContact O-N 3.3Å; A95-A98 WeakPolarHBondContact O-CB 3.47Å; A95-A98 PolarHBondContact O-N 3.2Å; A95-I99 WeakPolarHBondContact O-CD1 3.46Å; A95-I99 VanDerWaalsContact O-CG1 3.31Å; A95-I99 WeakPolarHBondContact O-CG1 3.42Å; A95-I99 PolarHBondContact O-N 2.71Å; A95-I99 VanDerWaalsContact O-N 3.09Å; A95-F116 HydrophobicContact CB-CD2 4.1Å; A95-F116 HydrophobicContact CB-CE2 3.58Å; A95-F116 HydrophobicContact CB-CZ 4.1Å |
| 96 | I | 88.1 | Confident | 78.8 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.5 | -43.8 | 179.7 | -62.9 | -73.2 | 0 | 0 | 0 | 110.3 | K92 E93 A98 I99 S100 L109 R112 N113 F116 | K92-I96 HydrophobicContact CG-CG1 4.24Å; K92-I96 WeakPolarHBondContact O-CB 3.43Å; K92-I96 WeakPolarHBondContact O-CG1 3.3Å; K92-I96 PolarHBondContact O-N 3.17Å; E93-I96 PolarHBondContact O-N 3.37Å; I96-A98 VanDerWaalsContact C-N 3.26Å; I96-A98 PolarHBondContact O-N 2.94Å; I96-I99 PolarHBondContact O-N 2.91Å; I96-I99 VanDerWaalsContact O-N 3.15Å; I96-S100 VanDerWaalsContact O-CB 3.28Å; I96-S100 WeakPolarHBondContact O-CB 3.33Å; I96-S100 PolarHBondContact O-N 3.17Å; I96-S100 PolarHBondContact O-OG 3.43Å; I96-L109 HydrophobicContact CG2-CD2 4.09Å; I96-R112 HydrophobicContact CD1-CB 3.82Å; I96-N113 WeakPolarHBondContact CD1-OD1 3.42Å; I96-N113 WeakPolarHBondContact CG1-OD1 3.45Å; I96-N113 WeakPolarHBondContact CG2-OD1 3.48Å; I96-F116 HydrophobicContact CD1-CB 4.29Å |
| 97 | Q | 87.9 | Confident | 77.7 | Confident | 100 Ų | 100 | 49 Ų | 49 | 47% | 0.467 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.2 | -40.3 | 174.1 | -175.3 | -179.4 | 4 | 0 | 0 | 112 | L59 E93 L94 A101 | L59-Q97 HydrophobicContact CD1-CB 4.21Å; L59-Q97 HydrophobicContact CD1-CG 4.05Å; E93-Q97 VanDerWaalsContact O-CB 3.27Å; E93-Q97 WeakPolarHBondContact O-CB 3.46Å; E93-Q97 PolarHBondContact O-N 3.01Å; L94-Q97 PolarHBondContact O-N 2.81Å; Q97-A101 PolarHBondContact O-N 3.22Å |
| 98 | A | 86.5 | Confident | 76.9 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66 | -41.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V45 R55 F56 L59 L94 A95 I96 | V45-A98 HydrophobicContact CG1-CB 4.39Å; R55-A98 HydrophobicContact CB-CB 4.4Å; R55-A98 PolarHBondContact NH1-O 3.46Å; F56-A98 HydrophobicContact CB-CB 3.73Å; F56-A98 HydrophobicContact CD2-CB 4.29Å; F56-A98 HydrophobicContact CG-CB 4.47Å; L59-A98 HydrophobicContact CD1-CB 4.16Å; L94-A98 WeakPolarHBondContact O-CB 3.4Å; L94-A98 PolarHBondContact O-N 3.35Å; A95-A98 WeakPolarHBondContact O-CB 3.47Å; A95-A98 PolarHBondContact O-N 3.2Å; I96-A98 VanDerWaalsContact C-N 3.26Å; I96-A98 PolarHBondContact O-N 2.94Å |
| 99 | I | 81 | Confident | 76.5 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 9% | 0.087 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73.3 | -40.9 | 179.1 | -64.2 | 162.6 | 0 | 0 | 0 | 111.2 | Y44 V45 E48 A52 A95 I96 | Y44-I99 HydrophobicContact CD1-CD1 4.18Å; Y44-I99 HydrophobicContact CE1-CD1 3.79Å; V45-I99 HydrophobicContact CG1-CG1 4.19Å; V45-I99 HydrophobicContact CG2-CD1 4.19Å; V45-I99 HydrophobicContact CG2-CG1 4.44Å; E48-I99 HydrophobicContact CB-CD1 4.22Å; E48-I99 HydrophobicContact CB-CG1 4.19Å; E48-I99 HydrophobicContact CG-CD1 4.03Å; A52-I99 HydrophobicContact CB-CG1 4.36Å; A95-I99 WeakPolarHBondContact O-CD1 3.46Å; A95-I99 VanDerWaalsContact O-CG1 3.31Å; A95-I99 WeakPolarHBondContact O-CG1 3.42Å; A95-I99 PolarHBondContact O-N 2.71Å; A95-I99 VanDerWaalsContact O-N 3.09Å; I96-I99 PolarHBondContact O-N 2.91Å; I96-I99 VanDerWaalsContact O-N 3.15Å |
| 100 | S | 75.1 | Confident | 76.1 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -90.9 | 4.1 | -170.6 | 75.1 | 0 | 0 | 0 | 0 | 114.9 | I96 T102 S103 | I96-S100 VanDerWaalsContact O-CB 3.28Å; I96-S100 WeakPolarHBondContact O-CB 3.33Å; I96-S100 PolarHBondContact O-N 3.17Å; I96-S100 PolarHBondContact O-OG 3.43Å; S100-T102 PolarHBondContact O-N 3.02Å; S100-S103 PolarHBondContact O-N 2.59Å |
| 101 | A | 66 | Low | 75.8 | Confident | 68 Ų | 68 | 43.2 Ų | 43.2 | 56% | 0.562 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -16.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q97 | Q97-A101 PolarHBondContact O-N 3.22Š|
| 102 | T | 54.5 | Low | 75.5 | Confident | 94 Ų | 94 | 45 Ų | 45 | 58% | 0.577 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | -2.6 | 178.1 | 58.5 | 0 | 0 | 0 | 0 | 115 | S100 | S100-T102 PolarHBondContact O-N 3.02Š|
| 103 | S | 58.9 | Low | 75.4 | Confident | 19 Ų | 19 | 44.5 Ų | 44.5 | 13% | 0.133 | 24% | 0.244 | C | C | . | . | trans | -107.6 | 128.8 | -179.2 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | S100 S108 | S100-S103 PolarHBondContact O-N 2.59Å; S103-S108 PolarHBondContact OG-OG 3.23Å; S103-S108 VanDerWaalsContact OG-OG 3.06Å | ||
| 104 | L | 52.9 | Low | 75.2 | Confident | 136 Ų | 136 | 44.4 Ų | 44.4 | 71% | 0.712 | 24% | 0.241 | S | C | * | . | trans | -92.2 | -12.3 | -179.9 | -70.6 | 163 | 0 | 0 | 0 | 113.4 | ||||
| 105 | N | 60.8 | Low | 75.2 | Confident | 42 Ų | 42 | 44.4 Ų | 44.4 | 23% | 0.225 | 24% | 0.241 | C | C | . | . | trans | -96.5 | 120.4 | -170.3 | -77.2 | -24.4 | 0 | 0 | 0 | 113.3 | S107 S108 D457 | N105-S107 VanDerWaalsContact C-N 3.34Å; N105-S107 PolarHBondContact O-N 3.43Å; N105-S108 PolarHBondContact O-N 2.97Å; N105-S108 PolarHBondContact O-OG 3.34Å; N105-D457 WeakPolarHBondContact CB-OD1 3.45Å; N105-D457 PolarHBondContact ND2-OD1 3.26Å | ||
| 106 | N | 63.2 | Low | 75.3 | Confident | 134 Ų | 134 | 44.5 Ų | 44.5 | 72% | 0.717 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -61.3 | -33.6 | -179.4 | -72.2 | -19.3 | 0 | 0 | 0 | 114.3 | S108 L109 | N106-S108 VanDerWaalsContact C-N 3.31Å; N106-S108 PolarHBondContact O-N 3.37Å; N106-L109 WeakPolarHBondContact O-CB 2.97Å; N106-L109 PolarHBondContact O-N 3.33Å |
| 107 | S | 60.9 | Low | 75.4 | Confident | 27 Ų | 27 | 45 Ų | 45 | 19% | 0.189 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.1 | -29.1 | 180 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | N105 L109 E110 H456 | N105-S107 VanDerWaalsContact C-N 3.34Å; N105-S107 PolarHBondContact O-N 3.43Å; S107-L109 PolarHBondContact O-N 3.07Å; S107-E110 PolarHBondContact O-N 3.3Å; S107-H456 PolarHBondContact OG-CE1 3.5Å; S107-H456 PolarHBondContact OG-ND1 3.16Å; S107-H456 PolarHBondContact OG-NE2 3.13Å |
| 108 | S | 67.4 | Low | 75.5 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.7 | -28.4 | 173.8 | 72.6 | 0 | 0 | 0 | 0 | 112.9 | S103 N105 N106 R112 T453 | S103-S108 PolarHBondContact OG-OG 3.23Å; S103-S108 VanDerWaalsContact OG-OG 3.06Å; N105-S108 PolarHBondContact O-N 2.97Å; N105-S108 PolarHBondContact O-OG 3.34Å; N106-S108 VanDerWaalsContact C-N 3.31Å; N106-S108 PolarHBondContact O-N 3.37Å; S108-R112 WeakPolarHBondContact O-CG 3.37Å; S108-T453 VanDerWaalsContact CB-CG2 3.45Å |
| 109 | L | 74.5 | Confident | 75.8 | Confident | 38 Ų | 38 | 40.3 Ų | 40.3 | 20% | 0.199 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.1 | -35.4 | 179.9 | -60.2 | 172.5 | 0 | 0 | 0 | 111.1 | I96 N106 S107 R112 N113 | I96-L109 HydrophobicContact CG2-CD2 4.09Å; N106-L109 WeakPolarHBondContact O-CB 2.97Å; N106-L109 PolarHBondContact O-N 3.33Å; S107-L109 PolarHBondContact O-N 3.07Å; L109-R112 PolarHBondContact O-N 3.01Å; L109-N113 WeakPolarHBondContact O-CB 3.41Å; L109-N113 PolarHBondContact O-N 2.76Å; L109-N113 PolarHBondContact O-ND2 3.07Å |
| 110 | E | 78.4 | Confident | 76.2 | Confident | 59 Ų | 59 | 39.5 Ų | 39.5 | 28% | 0.276 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65 | -44.8 | -175.9 | -175.3 | 61.7 | -174.5 | 0 | 0 | 112.1 | S107 R112 N113 R114 | S107-E110 PolarHBondContact O-N 3.3Å; E110-R112 VanDerWaalsContact C-N 3.3Å; E110-R112 PolarHBondContact O-N 3.45Å; E110-N113 PolarHBondContact O-N 3.06Å; E110-R114 VanDerWaalsContact O-CB 3.28Å; E110-R114 WeakPolarHBondContact O-CB 3.3Å; E110-R114 WeakPolarHBondContact O-CG 3.35Å; E110-R114 PolarHBondContact O-N 3.36Å; E110-R114 IonicContact OE1-CZ 3.77Å; E110-R114 VanDerWaalsContact OE1-CZ 3.24Å; E110-R114 IonicContact OE1-NE 3.97Å; E110-R114 PolarHBondContact OE1-NE 3.34Å; E110-R114 IonicContact OE1-NH2 2.71Å; E110-R114 PolarHBondContact OE1-NH2 3.34Å |
| 111 | I | 84.3 | Confident | 76.9 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.2 | -46.5 | 173.4 | -70 | 179.3 | 0 | 0 | 0 | 110.7 | R114 L115 P1127 F1129 P1157 | I111-R114 PolarHBondContact O-N 2.91Å; I111-L115 VanDerWaalsContact O-CB 3.26Å; I111-L115 WeakPolarHBondContact O-CB 3.43Å; I111-L115 PolarHBondContact O-N 3.3Å; I111-P1127 HydrophobicContact CD1-CB 3.75Å; I111-P1127 HydrophobicContact CD1-CG 3.57Å; I111-F1129 HydrophobicContact CG2-CE2 4.31Å; I111-P1157 HydrophobicContact CD1-CG 4.2Å; I111-P1157 HydrophobicContact CG1-CG 3.48Å; I111-P1157 VanDerWaalsContact CG1-CG 3.48Å |
| 112 | R | 84.4 | Confident | 78.1 | Confident | 39 Ų | 39 | 35.3 Ų | 35.3 | 15% | 0.147 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.1 | -41.7 | -178.3 | -68.2 | 178.5 | -177.1 | 172.6 | 3.3 | 112 | I96 S108 L109 E110 R114 F116 | I96-R112 HydrophobicContact CD1-CB 3.82Å; S108-R112 WeakPolarHBondContact O-CG 3.37Å; L109-R112 PolarHBondContact O-N 3.01Å; E110-R112 VanDerWaalsContact C-N 3.3Å; E110-R112 PolarHBondContact O-N 3.45Å; R112-R114 VanDerWaalsContact C-N 3.34Å; R112-R114 PolarHBondContact O-N 2.97Å; R112-F116 VanDerWaalsContact O-CB 3.27Å; R112-F116 WeakPolarHBondContact O-CB 3.49Å; R112-F116 PolarHBondContact O-N 2.88Å |
| 113 | N | 86.8 | Confident | 79.8 | Confident | 44 Ų | 44 | 31.9 Ų | 31.9 | 24% | 0.235 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.1 | -48.8 | 176.7 | -75.3 | -24.5 | 0 | 0 | 0 | 111.2 | I96 L109 E110 T117 | I96-N113 WeakPolarHBondContact CD1-OD1 3.42Å; I96-N113 WeakPolarHBondContact CG1-OD1 3.45Å; I96-N113 WeakPolarHBondContact CG2-OD1 3.48Å; L109-N113 WeakPolarHBondContact O-CB 3.41Å; L109-N113 PolarHBondContact O-N 2.76Å; L109-N113 PolarHBondContact O-ND2 3.07Å; E110-N113 PolarHBondContact O-N 3.06Å; N113-T117 PolarHBondContact O-N 3.41Å; N113-T117 VanDerWaalsContact O-N 3.11Å; N113-T117 PolarHBondContact O-OG1 3.21Å |
| 114 | R | 87.5 | Confident | 81.4 | Confident | 79 Ų | 79 | 31.6 Ų | 31.6 | 30% | 0.298 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -65.6 | -47.2 | -179.4 | -86 | -168.2 | -162.6 | -157.2 | 11 | 112.4 | E110 I111 R112 F116 T117 L118 S1155 | E110-R114 VanDerWaalsContact O-CB 3.28Å; E110-R114 WeakPolarHBondContact O-CB 3.3Å; E110-R114 WeakPolarHBondContact O-CG 3.35Å; E110-R114 PolarHBondContact O-N 3.36Å; E110-R114 IonicContact OE1-CZ 3.77Å; E110-R114 VanDerWaalsContact OE1-CZ 3.24Å; E110-R114 IonicContact OE1-NE 3.97Å; E110-R114 PolarHBondContact OE1-NE 3.34Å; E110-R114 IonicContact OE1-NH2 2.71Å; E110-R114 PolarHBondContact OE1-NH2 3.34Å; I111-R114 PolarHBondContact O-N 2.91Å; R112-R114 VanDerWaalsContact C-N 3.34Å; R112-R114 PolarHBondContact O-N 2.97Å; R114-F116 PolarHBondContact O-N 3.34Å; R114-T117 PolarHBondContact O-N 2.84Å; R114-L118 PolarHBondContact O-N 3.22Å; R114-S1155 WeakPolarHBondContact CB-O 3.42Å; R114-S1155 WeakPolarHBondContact CD-O 3.35Å |
| 115 | L | 89.9 | Confident | 83.3 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.1 | -38.5 | 177.9 | -174.2 | 64.9 | 0 | 0 | 0 | 112.8 | I111 L118 S119 L442 I445 R446 L1156 | I111-L115 VanDerWaalsContact O-CB 3.26Å; I111-L115 WeakPolarHBondContact O-CB 3.43Å; I111-L115 PolarHBondContact O-N 3.3Å; L115-L118 PolarHBondContact O-N 3.45Å; L115-S119 VanDerWaalsContact O-CB 3.29Å; L115-S119 WeakPolarHBondContact O-CB 3.33Å; L115-S119 PolarHBondContact O-N 3Å; L115-S119 PolarHBondContact O-OG 3.39Å; L115-L442 HydrophobicContact CD1-CD2 4.29Å; L115-I445 HydrophobicContact CD1-CG2 3.78Å; L115-R446 HydrophobicContact CD2-CB 3.84Å; L115-R446 HydrophobicContact CD2-CG 3.87Å; L115-L1156 HydrophobicContact CD1-CD2 4.32Å |
| 116 | F | 91.7 | Very high | 84.8 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.009 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.6 | -51.3 | 172.8 | 174.1 | -86.4 | 0 | 0 | 0 | 110.3 | A41 Y44 V91 K92 A95 I96 R112 R114 L118 S119 V120 | A41-F116 HydrophobicContact CB-CE2 3.96Å; A41-F116 HydrophobicContact CB-CZ 3.81Å; Y44-F116 AromaticContact CD1-CD2 3.5Å; Y44-F116 HydrophobicContact CD1-CD2 3.5Å; Y44-F116 VanDerWaalsContact CD1-CD2 3.5Å; Y44-F116 HydrophobicContact CD1-CE2 4.11Å; Y44-F116 HydrophobicContact CE1-CB 4.08Å; Y44-F116 AromaticContact CE1-CD2 3.68Å; Y44-F116 HydrophobicContact CE1-CD2 3.68Å; Y44-F116 HydrophobicContact CE1-CG 4.39Å; Y44-F116 AromaticContact CG-CD2 3.99Å; Y44-F116 HydrophobicContact CG-CD2 3.99Å; Y44-F116 HydrophobicContact CG-CE2 4.43Å; V91-F116 HydrophobicContact CG1-CZ 4.39Å; K92-F116 HydrophobicContact CB-CD1 3.85Å; K92-F116 HydrophobicContact CB-CE1 3.56Å; K92-F116 HydrophobicContact CB-CZ 4.38Å; K92-F116 HydrophobicContact CD-CD1 3.89Å; K92-F116 HydrophobicContact CD-CE1 4.39Å; K92-F116 HydrophobicContact CG-CD1 3.57Å; K92-F116 HydrophobicContact CG-CE1 3.86Å; K92-F116 HydrophobicContact CG-CG 4.36Å; A95-F116 HydrophobicContact CB-CD2 4.1Å; A95-F116 HydrophobicContact CB-CE2 3.58Å; A95-F116 HydrophobicContact CB-CZ 4.1Å; I96-F116 HydrophobicContact CD1-CB 4.29Å; R112-F116 VanDerWaalsContact O-CB 3.27Å; R112-F116 WeakPolarHBondContact O-CB 3.49Å; R112-F116 PolarHBondContact O-N 2.88Å; R114-F116 PolarHBondContact O-N 3.34Å; F116-L118 VanDerWaalsContact C-N 3.34Å; F116-L118 PolarHBondContact O-N 3.05Å; F116-S119 PolarHBondContact O-N 3.08Å; F116-V120 HydrophobicContact CD1-CG2 4.32Å; F116-V120 HydrophobicContact CD2-CG2 4.26Å; F116-V120 HydrophobicContact CE1-CG2 3.99Å; F116-V120 HydrophobicContact CE2-CG2 3.93Å; F116-V120 HydrophobicContact CG-CG2 4.45Å; F116-V120 HydrophobicContact CZ-CG2 3.79Å; F116-V120 WeakPolarHBondContact O-CB 3.41Å; F116-V120 WeakPolarHBondContact O-CG2 3.49Å; F116-V120 PolarHBondContact O-N 3.38Å |
| 117 | T | 89.9 | Confident | 86.3 | Confident | 22 Ų | 22 | 17.2 Ų | 17.2 | 14% | 0.135 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.1 | -48.2 | -178.4 | -52.6 | 0 | 0 | 0 | 0 | 110.4 | K92 N113 R114 S121 | K92-T117 WeakPolarHBondContact CD-OG1 3.32Å; N113-T117 PolarHBondContact O-N 3.41Å; N113-T117 VanDerWaalsContact O-N 3.11Å; N113-T117 PolarHBondContact O-OG1 3.21Å; R114-T117 PolarHBondContact O-N 2.84Å; T117-S121 VanDerWaalsContact O-CB 3.31Å; T117-S121 WeakPolarHBondContact O-CB 3.5Å; T117-S121 PolarHBondContact O-N 3.1Å; T117-S121 PolarHBondContact O-OG 3.47Å |
| 118 | L | 91.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.8 | -39.5 | 179.2 | -175.7 | 63.4 | 0 | 0 | 0 | 113.1 | R114 L115 F116 S121 S122 L442 V1151 W1183 | R114-L118 PolarHBondContact O-N 3.22Å; L115-L118 PolarHBondContact O-N 3.45Å; F116-L118 VanDerWaalsContact C-N 3.34Å; F116-L118 PolarHBondContact O-N 3.05Å; L118-S121 PolarHBondContact O-OG 3.24Å; L118-S122 VanDerWaalsContact O-CB 3.31Å; L118-S122 WeakPolarHBondContact O-CB 3.37Å; L118-S122 PolarHBondContact O-N 2.94Å; L118-S122 PolarHBondContact O-OG 3.41Å; L118-L442 HydrophobicContact CD2-CD2 3.71Å; L118-L442 HydrophobicContact CG-CD2 3.95Å; L118-V1151 HydrophobicContact CD1-CG1 3.84Å; L118-W1183 HydrophobicContact CD1-CZ2 3.83Å; L118-W1183 HydrophobicContact CD2-CH2 4.33Å; L118-W1183 HydrophobicContact CD2-CZ2 3.94Å; L118-W1183 HydrophobicContact CG-CZ2 4.06Å |
| 119 | S | 92.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.007 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69.2 | -40.5 | -178.4 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | L115 F116 R123 M124 | L115-S119 VanDerWaalsContact O-CB 3.29Å; L115-S119 WeakPolarHBondContact O-CB 3.33Å; L115-S119 PolarHBondContact O-N 3Å; L115-S119 PolarHBondContact O-OG 3.39Å; F116-S119 PolarHBondContact O-N 3.08Å; S119-R123 PolarHBondContact O-N 3.3Å; S119-M124 WeakPolarHBondContact O-CB 3.47Å; S119-M124 PolarHBondContact O-N 2.99Å |
| 120 | V | 89.6 | Confident | 90 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -73.8 | -38.8 | 177.7 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | L37 F116 S122 R123 L1187 | L37-V120 HydrophobicContact CD1-CG1 3.21Å; F116-V120 HydrophobicContact CD1-CG2 4.32Å; F116-V120 HydrophobicContact CD2-CG2 4.26Å; F116-V120 HydrophobicContact CE1-CG2 3.99Å; F116-V120 HydrophobicContact CE2-CG2 3.93Å; F116-V120 HydrophobicContact CG-CG2 4.45Å; F116-V120 HydrophobicContact CZ-CG2 3.79Å; F116-V120 WeakPolarHBondContact O-CB 3.41Å; F116-V120 WeakPolarHBondContact O-CG2 3.49Å; F116-V120 PolarHBondContact O-N 3.38Å; V120-S122 VanDerWaalsContact C-N 3.26Å; V120-S122 PolarHBondContact O-N 2.89Å; V120-R123 WeakPolarHBondContact O-CD 3.47Å; V120-R123 PolarHBondContact O-N 3.27Å; V120-L1187 HydrophobicContact CG1-CD1 4.17Å |
| 121 | S | 88.3 | Confident | 90.8 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.007 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.1 | -36.1 | 173.6 | 75.7 | 0 | 0 | 0 | 0 | 112.6 | T117 L118 R123 N260 E1184 P1185 | T117-S121 VanDerWaalsContact O-CB 3.31Å; T117-S121 WeakPolarHBondContact O-CB 3.5Å; T117-S121 PolarHBondContact O-N 3.1Å; T117-S121 PolarHBondContact O-OG 3.47Å; L118-S121 PolarHBondContact O-OG 3.24Å; S121-R123 PolarHBondContact O-N 3.34Å; S121-N260 PolarHBondContact O-ND2 3.18Å; S121-E1184 PolarHBondContact OG-O 3.46Å; S121-P1185 PolarHBondContact OG-O 3.27Å |
| 122 | S | 91.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.007 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -6.7 | 175.3 | -54.9 | 0 | 0 | 0 | 0 | 113.6 | L118 V120 M124 W1183 | L118-S122 VanDerWaalsContact O-CB 3.31Å; L118-S122 WeakPolarHBondContact O-CB 3.37Å; L118-S122 PolarHBondContact O-N 2.94Å; L118-S122 PolarHBondContact O-OG 3.41Å; V120-S122 VanDerWaalsContact C-N 3.26Å; V120-S122 PolarHBondContact O-N 2.89Å; S122-M124 PolarHBondContact O-N 2.9Å; S122-W1183 PolarHBondContact OG-NE1 3.18Å |
| 123 | R | 90.7 | Very high | 91.6 | Very high | 22 Ų | 22 | 11.4 Ų | 11.4 | 8% | 0.083 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 28.7 | -175.3 | -53.7 | -59.3 | -65.9 | -114.9 | -8.2 | 113.7 | N34 T35 E40 S119 V120 S121 F125 S126 T257 F1348 | N34-R123 PolarHBondContact OD1-NH2 2.86Å; T35-R123 PolarHBondContact O-NH2 3.14Å; T35-R123 PolarHBondContact OG1-NH2 3.3Å; E40-R123 IonicContact OE1-CZ 3.32Å; E40-R123 IonicContact OE1-NE 2.66Å; E40-R123 PolarHBondContact OE1-NE 2.9Å; E40-R123 IonicContact OE1-NH2 3.26Å; E40-R123 PolarHBondContact OE1-NH2 2.67Å; E40-R123 WeakPolarHBondContact OE2-CA 3.37Å; E40-R123 IonicContact OE2-NE 3.85Å; E40-R123 PolarHBondContact OE2-NE 3.5Å; E40-R123 VanDerWaalsContact OE2-NE 3.13Å; S119-R123 PolarHBondContact O-N 3.3Å; V120-R123 WeakPolarHBondContact O-CD 3.47Å; V120-R123 PolarHBondContact O-N 3.27Å; S121-R123 PolarHBondContact O-N 3.34Å; R123-F125 PolarHBondContact O-N 2.98Å; R123-S126 VanDerWaalsContact O-CB 3.32Å; R123-S126 WeakPolarHBondContact O-CB 3.49Å; R123-S126 PolarHBondContact O-N 2.77Å; R123-T257 HydrophobicContact CG-CG2 4.28Å; R123-F1348 WeakPolarHBondContact O-CE2 3.16Å |
| 124 | M | 91.8 | Very high | 91.9 | Very high | 13 Ų | 13 | 11.1 Ų | 11.1 | 6% | 0.064 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -33.9 | -171.8 | -179.1 | -177.9 | -177.2 | 0 | 0 | 113.8 | S119 S122 F439 L442 D443 | S119-M124 WeakPolarHBondContact O-CB 3.47Å; S119-M124 PolarHBondContact O-N 2.99Å; S122-M124 PolarHBondContact O-N 2.9Å; M124-F439 HydrophobicContact CB-CD1 4.46Å; M124-F439 HydrophobicContact CG-CD1 4.38Å; M124-L442 HydrophobicContact SD-CB 4.16Å; M124-L442 HydrophobicContact SD-CD1 4.31Å; M124-D443 WeakPolarHBondContact CE-OD1 3.46Å |
| 125 | F | 92.8 | Very high | 92.1 | Very high | 11 Ų | 11 | 7.9 Ų | 7.9 | 5% | 0.048 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 0.8 | -176 | -60.5 | -83.2 | 0 | 0 | 0 | 113.9 | E40 E43 Y44 R47 R123 T128 V129 | E40-F125 HydrophobicContact CB-CB 4.25Å; E40-F125 HydrophobicContact CG-CB 4.39Å; E43-F125 HydrophobicContact CB-CB 3.78Å; E43-F125 HydrophobicContact CB-CD1 3.65Å; E43-F125 HydrophobicContact CB-CG 3.85Å; E43-F125 HydrophobicContact CG-CB 4.44Å; Y44-F125 AromaticContact CD2-CE2 3.65Å; Y44-F125 HydrophobicContact CD2-CE2 3.65Å; Y44-F125 AromaticContact CD2-CZ 3.97Å; Y44-F125 HydrophobicContact CD2-CZ 3.97Å; Y44-F125 HydrophobicContact CG-CE2 4.18Å; Y44-F125 HydrophobicContact CG-CZ 4.44Å; R47-F125 HydrophobicContact CB-CE1 4.15Å; R47-F125 HydrophobicContact CB-CZ 4.48Å; R47-F125 HydrophobicContact CG-CE1 4.4Å; R123-F125 PolarHBondContact O-N 2.98Å; F125-T128 WeakPolarHBondContact O-CB 3.45Å; F125-T128 PolarHBondContact O-N 3.18Å; F125-V129 PolarHBondContact O-N 3.18Å; F125-V129 VanDerWaalsContact O-N 3.08Å |
| 126 | S | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -54.3 | -45.8 | 176.1 | -178 | 0 | 0 | 0 | 0 | 112.4 | W32 T35 R123 T128 V129 E130 | W32-S126 PolarHBondContact NE1-OG 2.97Å; T35-S126 VanDerWaalsContact OG1-CB 3.28Å; T35-S126 WeakPolarHBondContact OG1-CB 3.22Å; T35-S126 PolarHBondContact OG1-OG 3.02Å; R123-S126 VanDerWaalsContact O-CB 3.32Å; R123-S126 WeakPolarHBondContact O-CB 3.49Å; R123-S126 PolarHBondContact O-N 2.77Å; S126-T128 VanDerWaalsContact C-N 3.3Å; S126-T128 PolarHBondContact O-N 3.31Å; S126-V129 PolarHBondContact O-N 3.33Å; S126-E130 PolarHBondContact O-N 2.9Å |
| 127 | P | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -63.8 | -32.7 | 176.1 | -22.3 | 34.8 | 0 | 0 | 0 | 113.4 | W32 E130 M131 P1308 S1346 F1348 | W32-P127 HydrophobicContact CZ2-CG 4.14Å; P127-E130 PolarHBondContact O-N 3.47Å; P127-M131 VanDerWaalsContact O-CB 3.23Å; P127-M131 WeakPolarHBondContact O-CB 3.3Å; P127-M131 PolarHBondContact O-N 3.08Å; P127-P1308 HydrophobicContact CB-CB 4.36Å; P127-P1308 HydrophobicContact CB-CG 4.05Å; P127-P1308 WeakPolarHBondContact O-CB 3.35Å; P127-S1346 CarbonylContact C-O 3.55Å; P127-F1348 HydrophobicContact CG-CD1 3.75Å; P127-F1348 HydrophobicContact CG-CD2 3.72Å; P127-F1348 HydrophobicContact CG-CE1 3.67Å; P127-F1348 HydrophobicContact CG-CE2 3.64Å; P127-F1348 HydrophobicContact CG-CG 3.77Å; P127-F1348 HydrophobicContact CG-CZ 3.61Å |
| 128 | T | 93.6 | Very high | 92 | Very high | 16 Ų | 16 | 8.3 Ų | 8.3 | 10% | 0.098 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -67.5 | -44 | 178.9 | -48.6 | 0 | 0 | 0 | 0 | 111.1 | E43 F125 S126 M131 S132 S1346 | E43-T128 HydrophobicContact CG-CG2 4.19Å; F125-T128 WeakPolarHBondContact O-CB 3.45Å; F125-T128 PolarHBondContact O-N 3.18Å; S126-T128 VanDerWaalsContact C-N 3.3Å; S126-T128 PolarHBondContact O-N 3.31Å; T128-M131 PolarHBondContact O-N 3.36Å; T128-S132 WeakPolarHBondContact O-CB 3.43Å; T128-S132 PolarHBondContact O-N 3.23Å; T128-S1346 WeakPolarHBondContact CA-O 3.28Å; T128-S1346 PolarHBondContact N-O 3.36Å; T128-S1346 VanDerWaalsContact N-O 3.09Å; T128-S1346 PolarHBondContact OG1-O 3.36Å |
| 129 | V | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 176 | 176.1 | 0 | 0 | 0 | 0 | 110.3 | T35 E40 E43 F125 S126 S132 H133 H247 F249 | T35-V129 HydrophobicContact CG2-CB 3.98Å; T35-V129 HydrophobicContact CG2-CG1 3.84Å; E40-V129 HydrophobicContact CG-CG2 4.16Å; E43-V129 HydrophobicContact CG-CG2 3.76Å; F125-V129 PolarHBondContact O-N 3.18Å; F125-V129 VanDerWaalsContact O-N 3.08Å; S126-V129 PolarHBondContact O-N 3.33Å; V129-S132 PolarHBondContact O-N 3.19Å; V129-H133 PolarHBondContact O-N 3.32Å; V129-H247 HydrophobicContact CG1-CB 4.37Å; V129-F249 HydrophobicContact CG1-CE2 3.58Å; V129-F249 HydrophobicContact CG1-CZ 3.82Å |
| 130 | E | 94.2 | Very high | 91.7 | Very high | 6 Ų | 6 | 10.1 Ų | 10.1 | 3% | 0.028 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.6 | -44.7 | 177.9 | -174.1 | 61.1 | -159.9 | 0 | 0 | 112 | W32 S126 P127 S132 H133 Q134 R252 P1308 | W32-E130 HydrophobicContact CB-CG 3.76Å; W32-E130 HydrophobicContact CD2-CG 4.32Å; W32-E130 HydrophobicContact CG-CB 4.24Å; W32-E130 HydrophobicContact CG-CG 3.79Å; S126-E130 PolarHBondContact O-N 2.9Å; P127-E130 PolarHBondContact O-N 3.47Å; E130-S132 VanDerWaalsContact C-N 3.29Å; E130-S132 PolarHBondContact O-N 3.31Å; E130-H133 WeakPolarHBondContact O-CB 3.44Å; E130-H133 PolarHBondContact O-N 3.37Å; E130-H133 VanDerWaalsContact O-N 3.16Å; E130-H133 IonicContact OE1-CD2 3.26Å; E130-Q134 HydrophobicContact CG-CG 4.27Å; E130-Q134 WeakPolarHBondContact O-CG 3.49Å; E130-Q134 PolarHBondContact O-N 3.13Å; E130-Q134 PolarHBondContact OE1-NE2 3.45Å; E130-R252 IonicContact OE1-CZ 2.78Å; E130-R252 IonicContact OE1-NH1 2.64Å; E130-R252 IonicContact OE1-NH2 3.38Å; E130-R252 PolarHBondContact OE1-NH2 2.99Å; E130-R252 IonicContact OE2-CZ 2.76Å; E130-R252 IonicContact OE2-NH1 3.99Å; E130-R252 PolarHBondContact OE2-NH1 3.01Å; E130-R252 IonicContact OE2-NH2 3.82Å; E130-R252 PolarHBondContact OE2-NH2 3.37Å; E130-P1308 HydrophobicContact CB-CB 3.9Å; E130-P1308 HydrophobicContact CB-CG 4.29Å; E130-P1308 HydrophobicContact CG-CB 3.96Å; E130-P1308 HydrophobicContact CG-CG 4.26Å |
| 131 | M | 93.8 | Very high | 91.6 | Very high | 14 Ų | 14 | 11.4 Ų | 11.4 | 7% | 0.069 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -55.2 | -47.2 | 175.7 | 177.8 | -150.3 | 68.9 | 0 | 0 | 110.9 | P127 T128 H133 Q134 L135 P1308 L1344 S1346 | P127-M131 VanDerWaalsContact O-CB 3.23Å; P127-M131 WeakPolarHBondContact O-CB 3.3Å; P127-M131 PolarHBondContact O-N 3.08Å; T128-M131 PolarHBondContact O-N 3.36Å; M131-H133 VanDerWaalsContact C-N 3.32Å; M131-H133 PolarHBondContact O-N 2.93Å; M131-Q134 PolarHBondContact O-N 2.98Å; M131-L135 HydrophobicContact CE-CD1 4.27Å; M131-L135 HydrophobicContact CG-CD1 4.45Å; M131-L135 WeakPolarHBondContact O-CG 3.12Å; M131-L135 PolarHBondContact O-N 3.49Å; M131-P1308 HydrophobicContact CB-CB 4.18Å; M131-L1344 HydrophobicContact SD-CB 4.19Å; M131-L1344 HydrophobicContact SD-CD2 4.16Å; M131-S1346 VanDerWaalsContact SD-CB 3.51Å |
| 132 | S | 93.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 20.5 Ų | 20.5 | 3% | 0.028 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.6 | -39.9 | 179.7 | -167.7 | 0 | 0 | 0 | 0 | 112.1 | T128 V129 E130 L135 A136 R246 H247 | T128-S132 WeakPolarHBondContact O-CB 3.43Å; T128-S132 PolarHBondContact O-N 3.23Å; V129-S132 PolarHBondContact O-N 3.19Å; E130-S132 VanDerWaalsContact C-N 3.29Å; E130-S132 PolarHBondContact O-N 3.31Å; S132-L135 WeakPolarHBondContact O-CB 3.46Å; S132-L135 PolarHBondContact O-N 2.89Å; S132-A136 PolarHBondContact O-N 3.44Å; S132-A136 VanDerWaalsContact O-N 3.12Å; S132-R246 VanDerWaalsContact OG-CA 3.27Å; S132-R246 WeakPolarHBondContact OG-CA 3.25Å; S132-R246 VanDerWaalsContact OG-CB 3.23Å; S132-R246 WeakPolarHBondContact OG-CB 3.37Å; S132-H247 CarbonylContact C-O 3.54Å; S132-H247 PolarHBondContact OG-N 3.21Å |
| 133 | H | 93.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.3 | -41.6 | 173.9 | 177.6 | 61 | 0 | 0 | 0 | 112.6 | V129 E130 M131 L135 A136 L137 H247 Y248 F249 R252 | V129-H133 PolarHBondContact O-N 3.32Å; E130-H133 WeakPolarHBondContact O-CB 3.44Å; E130-H133 PolarHBondContact O-N 3.37Å; E130-H133 VanDerWaalsContact O-N 3.16Å; E130-H133 IonicContact OE1-CD2 3.26Å; M131-H133 VanDerWaalsContact C-N 3.32Å; M131-H133 PolarHBondContact O-N 2.93Å; H133-L135 VanDerWaalsContact C-N 3.32Å; H133-L135 PolarHBondContact O-N 3.31Å; H133-A136 VanDerWaalsContact O-CB 3.29Å; H133-A136 WeakPolarHBondContact O-CB 3.34Å; H133-A136 PolarHBondContact O-N 2.95Å; H133-L137 WeakPolarHBondContact O-CG 3.32Å; H133-L137 PolarHBondContact O-N 3.4Å; H133-L137 VanDerWaalsContact O-N 3.13Å; H133-H247 WeakPolarHBondContact CA-O 3.45Å; H133-H247 PolarHBondContact N-O 3.47Å; H133-Y248 AromaticContact ND1-CD2 3.91Å; H133-F249 HydrophobicContact CB-CD2 4.38Å; H133-F249 PolarHBondContact CE1-O 3.32Å; H133-F249 PolarHBondContact ND1-N 3.49Å; H133-R252 PolarHBondContact CD2-NH2 3.22Å; H133-R252 PolarHBondContact NE2-NH2 2.92Å |
| 134 | Q | 92.1 | Very high | 90.9 | Very high | 38 Ų | 38 | 23.3 Ų | 23.3 | 18% | 0.178 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66 | -34.2 | 177.2 | -69.6 | -58.6 | -27.9 | 0 | 0 | 112.4 | E130 M131 L137 T138 P1308 | E130-Q134 HydrophobicContact CG-CG 4.27Å; E130-Q134 WeakPolarHBondContact O-CG 3.49Å; E130-Q134 PolarHBondContact O-N 3.13Å; E130-Q134 PolarHBondContact OE1-NE2 3.45Å; M131-Q134 PolarHBondContact O-N 2.98Å; Q134-L137 PolarHBondContact O-N 2.92Å; Q134-T138 WeakPolarHBondContact O-CB 3.36Å; Q134-T138 PolarHBondContact O-N 3.06Å; Q134-T138 PolarHBondContact O-OG1 2.82Å; Q134-P1308 WeakPolarHBondContact CG-O 3.47Å |
| 135 | L | 91 | Very high | 90.6 | Very high | 10 Ų | 10 | 30.1 Ų | 30.1 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.7 | -45.6 | 170.1 | -78.6 | 170.9 | 0 | 0 | 0 | 111.4 | M131 S132 H133 L137 T138 D139 F195 A1310 | M131-L135 HydrophobicContact CE-CD1 4.27Å; M131-L135 HydrophobicContact CG-CD1 4.45Å; M131-L135 WeakPolarHBondContact O-CG 3.12Å; M131-L135 PolarHBondContact O-N 3.49Å; S132-L135 WeakPolarHBondContact O-CB 3.46Å; S132-L135 PolarHBondContact O-N 2.89Å; H133-L135 VanDerWaalsContact C-N 3.32Å; H133-L135 PolarHBondContact O-N 3.31Å; L135-L137 VanDerWaalsContact C-N 3.28Å; L135-L137 PolarHBondContact O-N 3.41Å; L135-T138 PolarHBondContact O-N 3.49Å; L135-T138 VanDerWaalsContact O-N 3.09Å; L135-D139 PolarHBondContact O-N 2.99Å; L135-F195 HydrophobicContact CD1-CD2 4.17Å; L135-F195 HydrophobicContact CD1-CE2 3.88Å; L135-F195 HydrophobicContact CD2-CE2 3.98Å; L135-F195 HydrophobicContact CD2-CZ 4.49Å; L135-A1310 HydrophobicContact CD2-CB 3.59Å |
| 136 | A | 91.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.4 | -44.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S132 H133 A140 W164 Y217 Y248 | S132-A136 PolarHBondContact O-N 3.44Å; S132-A136 VanDerWaalsContact O-N 3.12Å; H133-A136 VanDerWaalsContact O-CB 3.29Å; H133-A136 WeakPolarHBondContact O-CB 3.34Å; H133-A136 PolarHBondContact O-N 2.95Å; A136-A140 WeakPolarHBondContact O-CB 3.34Å; A136-A140 PolarHBondContact O-N 2.92Å; A136-W164 HydrophobicContact CB-CZ2 4.09Å; A136-W164 WeakPolarHBondContact O-CZ2 3.06Å; A136-Y217 VanDerWaalsContact CA-CE1 3.4Å; A136-Y217 HydrophobicContact CB-CD1 3.26Å; A136-Y217 HydrophobicContact CB-CE1 3.42Å; A136-Y217 VanDerWaalsContact CB-CE1 3.42Å; A136-Y217 HydrophobicContact CB-CG 3.94Å; A136-Y248 HydrophobicContact CB-CD2 3.86Å; A136-Y248 HydrophobicContact CB-CG 4.43Å |
| 137 | L | 91.1 | Very high | 89.9 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 5% | 0.052 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.5 | -35.9 | 178.3 | -60.1 | -178.7 | 0 | 0 | 0 | 112.5 | H133 Q134 L135 S141 V151 L152 L155 Y248 | H133-L137 WeakPolarHBondContact O-CG 3.32Å; H133-L137 PolarHBondContact O-N 3.4Å; H133-L137 VanDerWaalsContact O-N 3.13Å; Q134-L137 PolarHBondContact O-N 2.92Å; L135-L137 VanDerWaalsContact C-N 3.28Å; L135-L137 PolarHBondContact O-N 3.41Å; L137-S141 WeakPolarHBondContact O-CB 3.39Å; L137-S141 PolarHBondContact O-N 2.88Å; L137-V151 HydrophobicContact CB-CG1 4.25Å; L137-V151 HydrophobicContact CD2-CG1 4.04Å; L137-L152 HydrophobicContact CD2-CD2 3.72Å; L137-L152 HydrophobicContact CD2-CG 3.98Å; L137-L155 HydrophobicContact CD2-CD1 4.37Å; L137-Y248 HydrophobicContact CD2-CE2 4.04Å |
| 138 | T | 88.2 | Confident | 89 | Confident | 25 Ų | 25 | 38.1 Ų | 38.1 | 15% | 0.153 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.8 | -48.1 | 179.9 | -54.3 | 0 | 0 | 0 | 0 | 110.6 | Q134 L135 A140 S141 Y142 R148 T1285 | Q134-T138 WeakPolarHBondContact O-CB 3.36Å; Q134-T138 PolarHBondContact O-N 3.06Å; Q134-T138 PolarHBondContact O-OG1 2.82Å; L135-T138 PolarHBondContact O-N 3.49Å; L135-T138 VanDerWaalsContact O-N 3.09Å; T138-A140 PolarHBondContact O-N 3.26Å; T138-S141 PolarHBondContact O-N 3.27Å; T138-Y142 PolarHBondContact O-N 2.72Å; T138-R148 PolarHBondContact OG1-NH1 2.77Å; T138-R148 PolarHBondContact OG1-NH2 3.21Å; T138-T1285 HydrophobicContact CG2-CG2 4.33Å |
| 139 | D | 88.1 | Confident | 88.2 | Confident | 37 Ų | 37 | 46 Ų | 46 | 20% | 0.198 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61 | -46.6 | 176.4 | -71.6 | -2.9 | 0 | 0 | 0 | 110.6 | L135 S141 Y142 L143 W164 Y217 R246 | L135-D139 PolarHBondContact O-N 2.99Å; D139-S141 VanDerWaalsContact C-N 3.35Å; D139-S141 PolarHBondContact O-N 3.06Å; D139-Y142 PolarHBondContact O-N 3.08Å; D139-L143 WeakPolarHBondContact O-CB 3.43Å; D139-L143 WeakPolarHBondContact O-CD1 3.27Å; D139-L143 WeakPolarHBondContact O-CG 3.5Å; D139-L143 PolarHBondContact O-N 2.7Å; D139-W164 HydrophobicContact CB-CH2 4.12Å; D139-Y217 PolarHBondContact OD2-OH 2.98Å; D139-R246 IonicContact OD2-NH1 3.66Å; D139-R246 PolarHBondContact OD2-NH1 3.14Å |
| 140 | A | 89.1 | Confident | 87.8 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -39.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A136 T138 L143 L144 V151 L155 W164 | A136-A140 WeakPolarHBondContact O-CB 3.34Å; A136-A140 PolarHBondContact O-N 2.92Å; T138-A140 PolarHBondContact O-N 3.26Å; A140-L143 PolarHBondContact O-N 3.3Å; A140-L144 HydrophobicContact CB-CD1 4.47Å; A140-L144 WeakPolarHBondContact O-CB 3.5Å; A140-L144 VanDerWaalsContact O-CG 3.3Å; A140-L144 WeakPolarHBondContact O-CG 3.23Å; A140-L144 PolarHBondContact O-N 2.92Å; A140-V151 HydrophobicContact CB-CG2 3.66Å; A140-L155 HydrophobicContact CB-CD1 3.83Å; A140-L155 HydrophobicContact CB-CD2 4.03Å; A140-L155 HydrophobicContact CB-CG 4.2Å; A140-W164 HydrophobicContact CB-CH2 4.18Å; A140-W164 HydrophobicContact CB-CZ2 4.03Å |
| 141 | S | 87.8 | Confident | 87.5 | Confident | 27 Ų | 27 | 49 Ų | 49 | 19% | 0.189 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -43.4 | 177.6 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | L137 T138 D139 N145 C146 | L137-S141 WeakPolarHBondContact O-CB 3.39Å; L137-S141 PolarHBondContact O-N 2.88Å; T138-S141 PolarHBondContact O-N 3.27Å; D139-S141 VanDerWaalsContact C-N 3.35Å; D139-S141 PolarHBondContact O-N 3.06Å; S141-N145 WeakPolarHBondContact O-CA 3.31Å; S141-N145 PolarHBondContact O-N 3.33Å; S141-C146 PolarHBondContact O-N 3.04Å; S141-C146 VanDerWaalsContact O-N 3.11Å; S141-C146 PolarHBondContact OG-O 2.6Å |
| 142 | Y | 84.1 | Confident | 87.1 | Confident | 192 Ų | 192 | 51.2 Ų | 51.2 | 75% | 0.753 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.9 | -50.1 | 175.6 | -179.8 | -101.5 | 0 | 0 | 0 | 111.9 | T138 D139 L144 N145 | T138-Y142 PolarHBondContact O-N 2.72Å; D139-Y142 PolarHBondContact O-N 3.08Å; Y142-L144 PolarHBondContact O-N 3.02Å; Y142-N145 PolarHBondContact O-N 2.89Å |
| 143 | L | 85.3 | Confident | 86.7 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.7 | -32.7 | -175.9 | -66.4 | 166.2 | 0 | 0 | 0 | 113.3 | D139 A140 W164 L166 S169 A171 | D139-L143 WeakPolarHBondContact O-CB 3.43Å; D139-L143 WeakPolarHBondContact O-CD1 3.27Å; D139-L143 WeakPolarHBondContact O-CG 3.5Å; D139-L143 PolarHBondContact O-N 2.7Å; A140-L143 PolarHBondContact O-N 3.3Å; L143-W164 HydrophobicContact CD1-CZ3 4.46Å; L143-L166 HydrophobicContact CD1-CD1 3.59Å; L143-L166 HydrophobicContact CD2-CD1 4.46Å; L143-S169 WeakPolarHBondContact CD2-O 3.5Å; L143-A171 HydrophobicContact CB-CB 4.39Å; L143-A171 HydrophobicContact CD1-CB 4.02Å |
| 144 | L | 86.2 | Confident | 86.4 | Confident | 32 Ų | 32 | 56 Ų | 56 | 17% | 0.168 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -93.4 | -3.3 | 178.9 | -62.5 | 171.3 | 0 | 0 | 0 | 113.2 | A140 Y142 C146 E154 L155 F173 | A140-L144 HydrophobicContact CB-CD1 4.47Å; A140-L144 WeakPolarHBondContact O-CB 3.5Å; A140-L144 VanDerWaalsContact O-CG 3.3Å; A140-L144 WeakPolarHBondContact O-CG 3.23Å; A140-L144 PolarHBondContact O-N 2.92Å; Y142-L144 PolarHBondContact O-N 3.02Å; L144-C146 PolarHBondContact O-N 3.15Å; L144-E154 HydrophobicContact CD1-CG 3.93Å; L144-L155 HydrophobicContact CD1-CD2 4.14Å; L144-L155 HydrophobicContact CD1-CG 4.44Å; L144-F173 HydrophobicContact CD1-CZ 4.46Å; L144-F173 HydrophobicContact CD2-CE2 4.18Å; L144-F173 HydrophobicContact CD2-CZ 3.91Å; L144-F173 HydrophobicContact CG-CZ 4.5Å |
| 145 | N | 85.8 | Confident | 86.1 | Confident | 155 Ų | 155 | 54.1 Ų | 54.1 | 83% | 0.829 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 52 | -176.1 | -165.3 | 25 | 0 | 0 | 0 | 112.7 | S141 Y142 | S141-N145 WeakPolarHBondContact O-CA 3.31Å; S141-N145 PolarHBondContact O-N 3.33Å; Y142-N145 PolarHBondContact O-N 2.89Å |
| 146 | C | 86.7 | Confident | 85.9 | Confident | 30 Ų | 30 | 60 Ų | 60 | 20% | 0.203 | 31% | 0.308 | C | S | . | . | trans | -131.5 | 160.1 | -178.8 | 65.7 | 0 | 0 | 0 | 0 | 111.7 | S141 L144 | S141-C146 PolarHBondContact O-N 3.04Å; S141-C146 VanDerWaalsContact O-N 3.11Å; S141-C146 PolarHBondContact OG-O 2.6Å; L144-C146 PolarHBondContact O-N 3.15Å | ||
| 147 | S | 83.9 | Confident | 85.6 | Confident | 55 Ų | 55 | 68.5 Ų | 68.5 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | trans | -70.7 | 153.8 | 178.9 | 72.5 | 0 | 0 | 0 | 0 | 111.7 | E149 T150 V151 | S147-E149 PolarHBondContact O-N 3.07Å; S147-E149 VanDerWaalsContact O-N 3.14Å; S147-T150 PolarHBondContact N-OG1 3.28Å; S147-T150 PolarHBondContact O-N 3.11Å; S147-T150 PolarHBondContact O-OG1 3.34Å; S147-T150 VanDerWaalsContact O-OG1 3.07Å; S147-T150 PolarHBondContact OG-N 2.88Å; S147-T150 PolarHBondContact OG-OG1 2.94Å; S147-V151 PolarHBondContact O-N 3.43Å | ||
| 148 | R | 75.7 | Confident | 85.2 | Confident | 95 Ų | 95 | 73.7 Ų | 73.7 | 36% | 0.358 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -25.6 | 179.1 | -149.9 | -178.2 | 176.9 | 123.9 | 2.3 | 113.3 | T138 V151 P1284 | T138-R148 PolarHBondContact OG1-NH1 2.77Å; T138-R148 PolarHBondContact OG1-NH2 3.21Å; R148-V151 WeakPolarHBondContact O-CG1 3.39Å; R148-P1284 VanDerWaalsContact NH1-CB 3.29Å |
| 149 | E | 77.3 | Confident | 85 | Confident | 182 Ų | 182 | 73.3 Ų | 73.3 | 85% | 0.85 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -30.9 | 176.3 | -66.1 | 163.1 | -178.9 | 0 | 0 | 112.6 | S147 | S147-E149 PolarHBondContact O-N 3.07Å; S147-E149 VanDerWaalsContact O-N 3.14Å |
| 150 | T | 85.3 | Confident | 84.4 | Confident | 69 Ų | 69 | 74.8 Ų | 74.8 | 42% | 0.423 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -18.8 | -175.2 | 55 | 0 | 0 | 0 | 0 | 113.3 | S147 L152 A153 E154 | S147-T150 PolarHBondContact N-OG1 3.28Å; S147-T150 PolarHBondContact O-N 3.11Å; S147-T150 PolarHBondContact O-OG1 3.34Å; S147-T150 VanDerWaalsContact O-OG1 3.07Å; S147-T150 PolarHBondContact OG-N 2.88Å; S147-T150 PolarHBondContact OG-OG1 2.94Å; T150-L152 VanDerWaalsContact C-N 3.28Å; T150-L152 PolarHBondContact O-N 3.25Å; T150-A153 WeakPolarHBondContact O-CB 3.48Å; T150-A153 PolarHBondContact O-N 3.43Å; T150-E154 PolarHBondContact O-N 2.79Å; T150-E154 VanDerWaalsContact O-N 3.14Å |
| 151 | V | 87.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -55.2 | -38.6 | -175.7 | 74.6 | 0 | 0 | 0 | 0 | 113.5 | L137 A140 S147 R148 A153 E154 L155 | L137-V151 HydrophobicContact CB-CG1 4.25Å; L137-V151 HydrophobicContact CD2-CG1 4.04Å; A140-V151 HydrophobicContact CB-CG2 3.66Å; S147-V151 PolarHBondContact O-N 3.43Å; R148-V151 WeakPolarHBondContact O-CG1 3.39Å; V151-A153 VanDerWaalsContact C-N 3.32Å; V151-A153 PolarHBondContact O-N 2.98Å; V151-E154 PolarHBondContact O-N 3.35Å; V151-L155 HydrophobicContact CG2-CD1 4.21Å; V151-L155 HydrophobicContact CG2-CG 4.39Å; V151-L155 WeakPolarHBondContact O-CB 3.21Å; V151-L155 WeakPolarHBondContact O-CG 3.26Å; V151-L155 PolarHBondContact O-N 3.09Å |
| 152 | L | 85.2 | Confident | 83.5 | Confident | 60 Ų | 60 | 74.6 Ų | 74.6 | 31% | 0.314 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.6 | -36.7 | 179 | -82.5 | 168.8 | 0 | 0 | 0 | 112.3 | L137 T150 K156 Q250 | L137-L152 HydrophobicContact CD2-CD2 3.72Å; L137-L152 HydrophobicContact CD2-CG 3.98Å; T150-L152 VanDerWaalsContact C-N 3.28Å; T150-L152 PolarHBondContact O-N 3.25Å; L152-K156 WeakPolarHBondContact O-CB 3.47Å; L152-K156 PolarHBondContact O-N 3.06Å; L152-K156 VanDerWaalsContact O-N 3.11Å; L152-Q250 PolarHBondContact O-NE2 3.34Å |
| 153 | A | 85.7 | Confident | 83.9 | Confident | 68 Ų | 68 | 65.5 Ų | 65.5 | 56% | 0.562 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -71.3 | -38.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | T150 V151 K156 R157 | T150-A153 WeakPolarHBondContact O-CB 3.48Å; T150-A153 PolarHBondContact O-N 3.43Å; V151-A153 VanDerWaalsContact C-N 3.32Å; V151-A153 PolarHBondContact O-N 2.98Å; A153-K156 PolarHBondContact O-N 3.48Å; A153-R157 PolarHBondContact O-N 2.97Å; A153-R157 VanDerWaalsContact O-N 3.14Å |
| 154 | E | 86.5 | Confident | 84.3 | Confident | 38 Ų | 38 | 63.1 Ų | 63.1 | 18% | 0.178 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.1 | -41.7 | 178.1 | -173.4 | 61.3 | -166.7 | 0 | 0 | 112.2 | L144 T150 V151 K156 R157 R158 | L144-E154 HydrophobicContact CD1-CG 3.93Å; T150-E154 PolarHBondContact O-N 2.79Å; T150-E154 VanDerWaalsContact O-N 3.14Å; V151-E154 PolarHBondContact O-N 3.35Å; E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 2.98Å; E154-R157 WeakPolarHBondContact O-CB 3.44Å; E154-R157 PolarHBondContact O-N 3.24Å; E154-R157 VanDerWaalsContact O-N 3.1Å; E154-R157 IonicContact OE1-CZ 2.63Å; E154-R157 IonicContact OE1-NE 2.73Å; E154-R157 IonicContact OE1-NH2 2.77Å; E154-R157 PolarHBondContact OE1-NH2 2.88Å; E154-R157 IonicContact OE2-CZ 2.76Å; E154-R157 IonicContact OE2-NE 2.98Å; E154-R157 PolarHBondContact OE2-NE 2.9Å; E154-R157 VanDerWaalsContact OE2-NE 3.15Å; E154-R157 IonicContact OE2-NH2 2.69Å; E154-R157 PolarHBondContact OE2-NH2 3.48Å; E154-R158 PolarHBondContact O-N 3.45Å; E154-R158 VanDerWaalsContact O-N 3.14Å; E154-R158 IonicContact OE1-CZ 2.66Å; E154-R158 VanDerWaalsContact OE1-CZ 3.24Å; E154-R158 IonicContact OE1-NE 3.48Å; E154-R158 PolarHBondContact OE1-NE 3.06Å; E154-R158 IonicContact OE1-NH2 2.67Å; E154-R158 PolarHBondContact OE1-NH2 3.35Å |
| 155 | L | 86.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 172.9 | -76.1 | 173 | 0 | 0 | 0 | 111.5 | L137 A140 L144 V151 R157 R158 T159 F173 Y248 | L137-L155 HydrophobicContact CD2-CD1 4.37Å; A140-L155 HydrophobicContact CB-CD1 3.83Å; A140-L155 HydrophobicContact CB-CD2 4.03Å; A140-L155 HydrophobicContact CB-CG 4.2Å; L144-L155 HydrophobicContact CD1-CD2 4.14Å; L144-L155 HydrophobicContact CD1-CG 4.44Å; V151-L155 HydrophobicContact CG2-CD1 4.21Å; V151-L155 HydrophobicContact CG2-CG 4.39Å; V151-L155 WeakPolarHBondContact O-CB 3.21Å; V151-L155 WeakPolarHBondContact O-CG 3.26Å; V151-L155 PolarHBondContact O-N 3.09Å; L155-R157 PolarHBondContact O-N 3.43Å; L155-R158 PolarHBondContact O-N 3.07Å; L155-T159 WeakPolarHBondContact O-CB 3.46Å; L155-T159 PolarHBondContact O-N 3.35Å; L155-T159 PolarHBondContact O-OG1 3.3Å; L155-F173 HydrophobicContact CD2-CE1 4Å; L155-Y248 HydrophobicContact CD1-CE2 3.75Å; L155-Y248 WeakPolarHBondContact CD1-OH 3.37Å |
| 156 | K | 85.9 | Confident | 84.9 | Confident | 134 Ų | 134 | 54.7 Ų | 54.7 | 58% | 0.583 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60.7 | -29.3 | 174.7 | -169.3 | 175.4 | 178.4 | 178.9 | 0 | 112.8 | L152 A153 E154 | L152-K156 WeakPolarHBondContact O-CB 3.47Å; L152-K156 PolarHBondContact O-N 3.06Å; L152-K156 VanDerWaalsContact O-N 3.11Å; A153-K156 PolarHBondContact O-N 3.48Å; E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 2.98Å |
| 157 | R | 86.3 | Confident | 84.9 | Confident | 178 Ų | 178 | 53.3 Ų | 53.3 | 67% | 0.672 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -77.3 | -33.7 | 177.6 | -169.6 | 178.3 | 72.2 | 154.2 | 1.4 | 112.6 | A153 E154 L155 | A153-R157 PolarHBondContact O-N 2.97Å; A153-R157 VanDerWaalsContact O-N 3.14Å; E154-R157 WeakPolarHBondContact O-CB 3.44Å; E154-R157 PolarHBondContact O-N 3.24Å; E154-R157 VanDerWaalsContact O-N 3.1Å; E154-R157 IonicContact OE1-CZ 2.63Å; E154-R157 IonicContact OE1-NE 2.73Å; E154-R157 IonicContact OE1-NH2 2.77Å; E154-R157 PolarHBondContact OE1-NH2 2.88Å; E154-R157 IonicContact OE2-CZ 2.76Å; E154-R157 IonicContact OE2-NE 2.98Å; E154-R157 PolarHBondContact OE2-NE 2.9Å; E154-R157 VanDerWaalsContact OE2-NE 3.15Å; E154-R157 IonicContact OE2-NH2 2.69Å; E154-R157 PolarHBondContact OE2-NH2 3.48Å; L155-R157 PolarHBondContact O-N 3.43Å |
| 158 | R | 83.3 | Confident | 84.7 | Confident | 119 Ų | 119 | 51 Ų | 51 | 45% | 0.449 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -97.4 | -20.8 | -173 | -66.1 | -171.4 | -175 | -133.9 | 2.6 | 114.7 | E154 L155 F173 | E154-R158 PolarHBondContact O-N 3.45Å; E154-R158 VanDerWaalsContact O-N 3.14Å; E154-R158 IonicContact OE1-CZ 2.66Å; E154-R158 VanDerWaalsContact OE1-CZ 3.24Å; E154-R158 IonicContact OE1-NE 3.48Å; E154-R158 PolarHBondContact OE1-NE 3.06Å; E154-R158 IonicContact OE1-NH2 2.67Å; E154-R158 PolarHBondContact OE1-NH2 3.35Å; L155-R158 PolarHBondContact O-N 3.07Å; R158-F173 HydrophobicContact CB-CD2 4.3Å; R158-F173 HydrophobicContact CB-CG 4.26Å |
| 159 | T | 82.2 | Confident | 84.8 | Confident | 16 Ų | 16 | 50.2 Ų | 50.2 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -121.3 | 163.9 | -177.2 | 69.7 | 0 | 0 | 0 | 0 | 109.9 | L155 G161 W164 F173 | L155-T159 WeakPolarHBondContact O-CB 3.46Å; L155-T159 PolarHBondContact O-N 3.35Å; L155-T159 PolarHBondContact O-OG1 3.3Å; T159-G161 PolarHBondContact O-N 3.09Å; T159-G161 VanDerWaalsContact O-N 3.1Å; T159-G161 WeakPolarHBondContact OG1-CA 3.38Å; T159-G161 PolarHBondContact OG1-N 3.05Å; T159-W164 HydrophobicContact CG2-CB 4.13Å; T159-F173 HydrophobicContact CG2-CB 4.19Å; T159-F173 HydrophobicContact CG2-CD1 3.42Å; T159-F173 VanDerWaalsContact CG2-CD1 3.42Å; T159-F173 HydrophobicContact CG2-CE1 4.17Å; T159-F173 HydrophobicContact CG2-CG 4.13Å |
| 160 | S | 75.6 | Confident | 85.1 | Confident | 69 Ų | 69 | 46 Ų | 46 | 48% | 0.483 | 25% | 0.245 | S | C | . | . | trans | -61.3 | -7.1 | 163.9 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | V162 E224 | S160-V162 VanDerWaalsContact C-N 3.32Å; S160-V162 PolarHBondContact OG-N 3.38Å; S160-E224 WeakPolarHBondContact CB-OE1 3.48Å; S160-E224 WeakPolarHBondContact CB-OE2 3.31Å; S160-E224 PolarHBondContact OG-OE1 3.39Å; S160-E224 PolarHBondContact OG-OE2 2.81Å | ||
| 161 | G | 74.8 | Confident | 85.2 | Confident | 12 Ų | 12 | 44 Ų | 44 | 12% | 0.124 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 83 | 3.6 | -171 | 0 | 0 | 0 | 0 | 0 | 113.7 | T159 Q250 | T159-G161 PolarHBondContact O-N 3.09Å; T159-G161 VanDerWaalsContact O-N 3.1Å; T159-G161 WeakPolarHBondContact OG1-CA 3.38Å; T159-G161 PolarHBondContact OG1-N 3.05Å; G161-Q250 WeakPolarHBondContact O-CB 3.24Å |
| 162 | V | 84.3 | Confident | 85.4 | Confident | 13 Ų | 13 | 44.3 Ų | 44.3 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -101.1 | -49.1 | -173 | -178.5 | 0 | 0 | 0 | 0 | 113.2 | S160 G218 D219 H222 E224 F225 | S160-V162 VanDerWaalsContact C-N 3.32Å; S160-V162 PolarHBondContact OG-N 3.38Å; V162-G218 VanDerWaalsContact O-CA 3.25Å; V162-G218 WeakPolarHBondContact O-CA 3.35Å; V162-D219 PolarHBondContact O-N 3.02Å; V162-D219 VanDerWaalsContact O-N 3.15Å; V162-H222 HydrophobicContact CG1-CB 3.44Å; V162-H222 VanDerWaalsContact CG1-CB 3.44Å; V162-H222 HydrophobicContact CG2-CB 4.26Å; V162-E224 HydrophobicContact CB-CB 4.35Å; V162-E224 HydrophobicContact CG1-CB 4.07Å; V162-F225 HydrophobicContact CG1-CB 4.31Å |
| 163 | A | 92 | Very high | 85.7 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 155.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | L216 Y217 W228 | A163-L216 HydrophobicContact CB-CD1 4.19Å; A163-Y217 CarbonylContact C-O 3.58Å; A163-Y217 WeakPolarHBondContact CA-O 3.44Å; A163-Y217 WeakPolarHBondContact CB-O 3.39Å; A163-W228 HydrophobicContact CB-CG 4.33Å |
| 164 | W | 93.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 162 | 172.3 | 61.6 | -83.2 | 0 | 0 | 0 | 110.3 | A136 D139 A140 L143 T159 L166 F173 Y217 Y248 | A136-W164 HydrophobicContact CB-CZ2 4.09Å; A136-W164 WeakPolarHBondContact O-CZ2 3.06Å; D139-W164 HydrophobicContact CB-CH2 4.12Å; A140-W164 HydrophobicContact CB-CH2 4.18Å; A140-W164 HydrophobicContact CB-CZ2 4.03Å; L143-W164 HydrophobicContact CD1-CZ3 4.46Å; T159-W164 HydrophobicContact CG2-CB 4.13Å; W164-L166 HydrophobicContact CZ3-CB 4.27Å; W164-F173 HydrophobicContact CB-CD1 3.83Å; W164-F173 HydrophobicContact CB-CE1 4.21Å; W164-F173 HydrophobicContact CG-CE1 4.47Å; W164-Y217 AromaticContact CD2-CD2 3.99Å; W164-Y217 HydrophobicContact CD2-CD2 3.99Å; W164-Y217 HydrophobicContact CD2-CG 4.37Å; W164-Y217 AromaticContact CE2-CD2 3.66Å; W164-Y217 AromaticContact CE2-CG 3.78Å; W164-Y217 AromaticContact CE3-CD2 3.95Å; W164-Y217 HydrophobicContact CE3-CD2 3.95Å; W164-Y217 AromaticContact CH2-CD2 3.28Å; W164-Y217 HydrophobicContact CH2-CD2 3.28Å; W164-Y217 AromaticContact CH2-CE2 3.38Å; W164-Y217 HydrophobicContact CH2-CE2 3.38Å; W164-Y217 HydrophobicContact CH2-CG 4.1Å; W164-Y217 HydrophobicContact CZ2-CD1 4.37Å; W164-Y217 AromaticContact CZ2-CD2 3.3Å; W164-Y217 HydrophobicContact CZ2-CD2 3.3Å; W164-Y217 AromaticContact CZ2-CE2 3.76Å; W164-Y217 HydrophobicContact CZ2-CE2 3.76Å; W164-Y217 AromaticContact CZ2-CG 3.63Å; W164-Y217 HydrophobicContact CZ2-CG 3.63Å; W164-Y217 AromaticContact CZ3-CD2 3.61Å; W164-Y217 HydrophobicContact CZ3-CD2 3.61Å; W164-Y217 AromaticContact CZ3-CE2 3.89Å; W164-Y217 HydrophobicContact CZ3-CE2 3.89Å; W164-Y217 PolarHBondContact N-O 3.34Å; W164-Y217 PolarHBondContact O-N 3.42Å; W164-Y248 AromaticContact NE1-CG 3.93Å |
| 165 | V | 93.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 141 | -173 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | V172 L178 V214 I215 L216 W228 L232 | V165-V172 HydrophobicContact CB-CB 4.19Å; V165-V172 PolarHBondContact N-O 2.9Å; V165-V172 PolarHBondContact O-N 3.38Å; V165-L178 HydrophobicContact CB-CD1 4.15Å; V165-L178 HydrophobicContact CG1-CD1 3.74Å; V165-L178 HydrophobicContact CG2-CD1 4.18Å; V165-V214 HydrophobicContact CG1-CG1 3.22Å; V165-I215 CarbonylContact C-O 3.44Å; V165-I215 WeakPolarHBondContact CA-O 2.96Å; V165-L216 HydrophobicContact CG2-CB 4.43Å; V165-L216 HydrophobicContact CG2-CD1 3.47Å; V165-L216 VanDerWaalsContact CG2-CD1 3.47Å; V165-W228 HydrophobicContact CB-CZ3 4.21Å; V165-W228 HydrophobicContact CG2-CD2 4.44Å; V165-W228 HydrophobicContact CG2-CE3 3.52Å; V165-W228 HydrophobicContact CG2-CH2 4.46Å; V165-W228 HydrophobicContact CG2-CZ3 3.54Å; V165-L232 HydrophobicContact CG2-CD1 4.02Å |
| 166 | L | 91.2 | Very high | 85.9 | Confident | 10 Ų | 10 | 50.5 Ų | 50.5 | 5% | 0.052 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.2 | 165.9 | 176.1 | 57.9 | 0 | 0 | 0 | 109.4 | L143 W164 G168 P192 V214 I215 Y217 | L143-L166 HydrophobicContact CD1-CD1 3.59Å; L143-L166 HydrophobicContact CD2-CD1 4.46Å; W164-L166 HydrophobicContact CZ3-CB 4.27Å; L166-G168 WeakPolarHBondContact CD1-O 2.92Å; L166-P192 HydrophobicContact CD2-CB 3.85Å; L166-P192 HydrophobicContact CG-CB 4.34Å; L166-V214 WeakPolarHBondContact O-CA 3.13Å; L166-I215 HydrophobicContact CB-CB 4.3Å; L166-I215 HydrophobicContact CD2-CD1 4.5Å; L166-I215 PolarHBondContact N-O 3.23Å; L166-I215 PolarHBondContact O-N 3.39Å; L166-Y217 HydrophobicContact CB-CE2 4.33Å |
| 167 | A | 87.3 | Confident | 85.9 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 104.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | S169 D170 V172 I182 V214 | A167-S169 PolarHBondContact O-N 3Å; A167-S169 VanDerWaalsContact O-N 3.17Å; A167-D170 PolarHBondContact N-O 3Å; A167-D170 PolarHBondContact O-N 3.46Å; A167-V172 HydrophobicContact CB-CG2 4.36Å; A167-I182 HydrophobicContact CB-CG1 4.41Å; A167-V214 HydrophobicContact CB-CG1 4.46Å; A167-V214 HydrophobicContact CB-CG2 4.44Å |
| 168 | G | 78.2 | Confident | 86 | Confident | 6 Ų | 6 | 42 Ų | 42 | 6% | 0.062 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | -114.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111 | L166 S190 | L166-G168 WeakPolarHBondContact CD1-O 2.92Å; G168-S190 CarbonylContact C-O 3.33Å; G168-S190 VanDerWaalsContact CA-O 3.31Å; G168-S190 WeakPolarHBondContact CA-O 3.47Å |
| 169 | S | 79 | Confident | 86.2 | Confident | 78 Ų | 78 | 41.7 Ų | 41.7 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 8.7 | 175.9 | 49.5 | 0 | 0 | 0 | 0 | 113.9 | L143 A167 | L143-S169 WeakPolarHBondContact CD2-O 3.5Å; A167-S169 PolarHBondContact O-N 3Å; A167-S169 VanDerWaalsContact O-N 3.17Å |
| 170 | D | 83.5 | Confident | 86.4 | Confident | 93 Ų | 93 | 45.8 Ų | 45.8 | 50% | 0.497 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 138.5 | -178.8 | -77 | -24.1 | 0 | 0 | 0 | 112.4 | A167 | A167-D170 PolarHBondContact N-O 3Å; A167-D170 PolarHBondContact O-N 3.46Å |
| 171 | A | 88.1 | Confident | 86.8 | Confident | 28 Ų | 28 | 43.4 Ų | 43.4 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 125.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L143 F173 | L143-A171 HydrophobicContact CB-CB 4.39Å; L143-A171 HydrophobicContact CD1-CB 4.02Å; A171-F173 HydrophobicContact CB-CE1 4.13Å; A171-F173 HydrophobicContact CB-CE2 4Å; A171-F173 HydrophobicContact CB-CZ 3.56Å |
| 172 | V | 90.9 | Very high | 87.2 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 119.7 | 179.4 | -175.2 | 0 | 0 | 0 | 0 | 110 | V165 A167 S174 K177 S181 W228 | V165-V172 HydrophobicContact CB-CB 4.19Å; V165-V172 PolarHBondContact N-O 2.9Å; V165-V172 PolarHBondContact O-N 3.38Å; A167-V172 HydrophobicContact CB-CG2 4.36Å; V172-S174 WeakPolarHBondContact CG1-O 3.33Å; V172-K177 HydrophobicContact CG1-CB 4.39Å; V172-S181 WeakPolarHBondContact CG2-OG 3.31Å; V172-W228 HydrophobicContact CG1-CH2 4.3Å; V172-W228 HydrophobicContact CG1-CZ3 4.44Å |
| 173 | F | 90.6 | Very high | 87.2 | Confident | 50 Ų | 50 | 48.3 Ų | 48.3 | 22% | 0.219 | 25% | 0.254 | C | S | . | . | trans | -106.6 | -2.3 | -177.8 | -54.3 | -63.4 | 0 | 0 | 0 | 114.1 | L144 L155 R158 T159 W164 A171 | L144-F173 HydrophobicContact CD1-CZ 4.46Å; L144-F173 HydrophobicContact CD2-CE2 4.18Å; L144-F173 HydrophobicContact CD2-CZ 3.91Å; L144-F173 HydrophobicContact CG-CZ 4.5Å; L155-F173 HydrophobicContact CD2-CE1 4Å; R158-F173 HydrophobicContact CB-CD2 4.3Å; R158-F173 HydrophobicContact CB-CG 4.26Å; T159-F173 HydrophobicContact CG2-CB 4.19Å; T159-F173 HydrophobicContact CG2-CD1 3.42Å; T159-F173 VanDerWaalsContact CG2-CD1 3.42Å; T159-F173 HydrophobicContact CG2-CE1 4.17Å; T159-F173 HydrophobicContact CG2-CG 4.13Å; W164-F173 HydrophobicContact CB-CD1 3.83Å; W164-F173 HydrophobicContact CB-CE1 4.21Å; W164-F173 HydrophobicContact CG-CE1 4.47Å; A171-F173 HydrophobicContact CB-CE1 4.13Å; A171-F173 HydrophobicContact CB-CE2 4Å; A171-F173 HydrophobicContact CB-CZ 3.56Å | ||
| 174 | S | 88.6 | Confident | 86.7 | Confident | 47 Ų | 47 | 54.1 Ų | 54.1 | 33% | 0.329 | 28% | 0.279 | S | S | . | . | trans | -136.6 | 132.9 | -179.9 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | V172 D176 K177 | V172-S174 WeakPolarHBondContact CG1-O 3.33Å; S174-D176 PolarHBondContact O-N 2.87Å; S174-K177 PolarHBondContact O-N 3.42Å | ||
| 175 | I | 86.4 | Confident | 85.7 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -57.6 | -38.3 | -178.2 | -63 | 175.3 | 0 | 0 | 0 | 111 | K177 L178 S227 W228 | I175-K177 PolarHBondContact O-N 3.05Å; I175-L178 WeakPolarHBondContact O-CB 3.46Å; I175-L178 PolarHBondContact O-N 3.17Å; I175-S227 WeakPolarHBondContact CD1-OG 3.2Å; I175-W228 HydrophobicContact CB-CH2 4.44Å; I175-W228 HydrophobicContact CB-CZ2 4.43Å; I175-W228 HydrophobicContact CB-CZ3 4.48Å; I175-W228 HydrophobicContact CD1-CD2 3.98Å; I175-W228 HydrophobicContact CD1-CG 3.98Å; I175-W228 HydrophobicContact CG1-CD2 3.37Å; I175-W228 HydrophobicContact CG1-CE3 3.73Å; I175-W228 HydrophobicContact CG1-CG 3.92Å; I175-W228 HydrophobicContact CG1-CH2 3.87Å; I175-W228 HydrophobicContact CG1-CZ2 3.49Å; I175-W228 VanDerWaalsContact CG1-CZ2 3.49Å; I175-W228 HydrophobicContact CG1-CZ3 3.96Å; I175-W228 VanDerWaalsContact N-CH2 3.25Å |
| 176 | D | 87.8 | Confident | 84.1 | Confident | 149 Ų | 149 | 61.9 Ų | 61.9 | 80% | 0.797 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -63.2 | -26.9 | -175.8 | -58.4 | -36 | 0 | 0 | 0 | 112.7 | S174 | S174-D176 PolarHBondContact O-N 2.87Š|
| 177 | K | 87.3 | Confident | 82.8 | Confident | 130 Ų | 130 | 65.4 Ų | 65.4 | 57% | 0.565 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -92.2 | -3.9 | 179.1 | -63.7 | -173.4 | 178.2 | -176.8 | 0 | 113.7 | V172 S174 I175 S181 | V172-K177 HydrophobicContact CG1-CB 4.39Å; S174-K177 PolarHBondContact O-N 3.42Å; I175-K177 PolarHBondContact O-N 3.05Å; K177-S181 WeakPolarHBondContact O-CB 3.48Å; K177-S181 PolarHBondContact O-N 3.36Å; K177-S181 PolarHBondContact O-OG 2.78Å |
| 178 | L | 87.6 | Confident | 81.4 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.8 | -52.3 | -172.3 | 179.4 | 63.9 | 0 | 0 | 0 | 111.9 | V165 I175 E180 S181 I182 W228 L232 L235 | V165-L178 HydrophobicContact CB-CD1 4.15Å; V165-L178 HydrophobicContact CG1-CD1 3.74Å; V165-L178 HydrophobicContact CG2-CD1 4.18Å; I175-L178 WeakPolarHBondContact O-CB 3.46Å; I175-L178 PolarHBondContact O-N 3.17Å; L178-E180 PolarHBondContact O-N 3.11Å; L178-S181 PolarHBondContact O-N 2.83Å; L178-I182 HydrophobicContact CD1-CD1 3.95Å; L178-I182 HydrophobicContact CD1-CG1 4.45Å; L178-I182 HydrophobicContact CG-CD1 3.96Å; L178-I182 WeakPolarHBondContact O-CG1 3.4Å; L178-I182 PolarHBondContact O-N 3.37Å; L178-I182 VanDerWaalsContact O-N 3.07Å; L178-W228 HydrophobicContact CB-CZ3 4.43Å; L178-W228 HydrophobicContact CD1-CZ3 4.26Å; L178-W228 HydrophobicContact CD2-CE3 4.3Å; L178-W228 HydrophobicContact CD2-CZ3 4.34Å; L178-L232 HydrophobicContact CD1-CD2 4.1Å; L178-L232 HydrophobicContact CD2-CD2 3.79Å; L178-L232 HydrophobicContact CD2-CG 3.84Å; L178-L232 HydrophobicContact CG-CD2 4.33Å; L178-L235 HydrophobicContact CD2-CD1 4.03Å; L178-L235 HydrophobicContact CG-CD1 4.24Å |
| 179 | K | 86.9 | Confident | 80.3 | Confident | 113 Ų | 113 | 75.9 Ų | 75.9 | 49% | 0.491 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | -178.5 | -174.8 | 175.4 | 176.4 | 175.6 | 0 | 111.9 | S181 I182 E183 L235 | K179-S181 VanDerWaalsContact C-N 3.28Å; K179-S181 PolarHBondContact O-N 3.37Å; K179-I182 PolarHBondContact O-N 3.43Å; K179-E183 WeakPolarHBondContact CE-OE1 3.4Å; K179-E183 WeakPolarHBondContact O-CG 3.46Å; K179-E183 PolarHBondContact O-N 3.14Å; K179-E183 VanDerWaalsContact O-N 3.07Å; K179-L235 HydrophobicContact CD-CD2 4.36Å; K179-L235 HydrophobicContact CG-CD2 4.31Å |
| 180 | E | 86.3 | Confident | 79.5 | Confident | 103 Ų | 103 | 73.9 Ų | 73.9 | 48% | 0.481 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.1 | -38.5 | 177.7 | -171.8 | -168.8 | 161.4 | 0 | 0 | 112 | L178 K184 | L178-E180 PolarHBondContact O-N 3.11Å; E180-K184 WeakPolarHBondContact O-CG 3.44Å; E180-K184 PolarHBondContact O-N 3.37Å; E180-K184 WeakPolarHBondContact OE1-CE 3.27Å; E180-K184 IonicContact OE1-NZ 3.3Å; E180-K184 PolarHBondContact OE1-NZ 3.1Å |
| 181 | S | 85.1 | Confident | 78.8 | Confident | 19 Ų | 19 | 72.5 Ų | 72.5 | 13% | 0.133 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -72.2 | -37.4 | -179.2 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | V172 K177 L178 K179 K184 | V172-S181 WeakPolarHBondContact CG2-OG 3.31Å; K177-S181 WeakPolarHBondContact O-CB 3.48Å; K177-S181 PolarHBondContact O-N 3.36Å; K177-S181 PolarHBondContact O-OG 2.78Å; L178-S181 PolarHBondContact O-N 2.83Å; K179-S181 VanDerWaalsContact C-N 3.28Å; K179-S181 PolarHBondContact O-N 3.37Å; S181-K184 PolarHBondContact O-N 3.29Å |
| 182 | I | 83.3 | Confident | 78 | Confident | 8 Ų | 8 | 72 Ų | 72 | 4% | 0.041 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 176.7 | -66.2 | 168.6 | 0 | 0 | 0 | 110.8 | A167 L178 K179 K184 V185 P212 V214 L232 L235 C241 | A167-I182 HydrophobicContact CB-CG1 4.41Å; L178-I182 HydrophobicContact CD1-CD1 3.95Å; L178-I182 HydrophobicContact CD1-CG1 4.45Å; L178-I182 HydrophobicContact CG-CD1 3.96Å; L178-I182 WeakPolarHBondContact O-CG1 3.4Å; L178-I182 PolarHBondContact O-N 3.37Å; L178-I182 VanDerWaalsContact O-N 3.07Å; K179-I182 PolarHBondContact O-N 3.43Å; I182-K184 PolarHBondContact O-N 3.49Å; I182-V185 PolarHBondContact O-N 3.19Å; I182-V185 VanDerWaalsContact O-N 3.13Å; I182-P212 HydrophobicContact CG2-CG 4.25Å; I182-V214 HydrophobicContact CD1-CG2 4Å; I182-V214 HydrophobicContact CG1-CG2 3.81Å; I182-L232 HydrophobicContact CD1-CD2 4.24Å; I182-L235 HydrophobicContact CD1-CD1 3.86Å; I182-C241 HydrophobicContact CD1-CB 4.45Å; I182-C241 HydrophobicContact CG2-CB 4.01Å |
| 183 | E | 83.7 | Confident | 77.2 | Confident | 120 Ų | 120 | 75.1 Ų | 75.1 | 56% | 0.561 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.8 | -21.5 | 178.5 | -71.9 | 175.3 | 178 | 0 | 0 | 113 | K179 | K179-E183 WeakPolarHBondContact CE-OE1 3.4Å; K179-E183 WeakPolarHBondContact O-CG 3.46Å; K179-E183 PolarHBondContact O-N 3.14Å; K179-E183 VanDerWaalsContact O-N 3.07Å |
| 184 | K | 81 | Confident | 76.4 | Confident | 122 Ų | 122 | 76 Ų | 76 | 53% | 0.53 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -10.6 | 175.8 | -76.4 | 174.1 | -174.6 | 170.6 | 0 | 114.4 | E180 S181 I182 V186 | E180-K184 WeakPolarHBondContact O-CG 3.44Å; E180-K184 PolarHBondContact O-N 3.37Å; E180-K184 WeakPolarHBondContact OE1-CE 3.27Å; E180-K184 IonicContact OE1-NZ 3.3Å; E180-K184 PolarHBondContact OE1-NZ 3.1Å; S181-K184 PolarHBondContact O-N 3.29Å; I182-K184 PolarHBondContact O-N 3.49Å; K184-V186 PolarHBondContact O-N 3.39Å |
| 185 | V | 73 | Confident | 75.8 | Confident | 33 Ų | 33 | 75 Ų | 75 | 20% | 0.2 | 39% | 0.39 | C | S | . | . | trans | -76.5 | 88.5 | 179.1 | -175 | 0 | 0 | 0 | 0 | 109 | I182 P212 | I182-V185 PolarHBondContact O-N 3.19Å; I182-V185 VanDerWaalsContact O-N 3.13Å; V185-P212 HydrophobicContact CB-CB 4.13Å; V185-P212 HydrophobicContact CG1-CB 3.91Å | ||
| 186 | V | 60.8 | Low | 74.9 | Confident | 130 Ų | 130 | 76.4 Ų | 76.4 | 79% | 0.788 | 40% | 0.403 | S | S | * | . | trans | -88.4 | -27.7 | -176.3 | -177.4 | 0 | 0 | 0 | 0 | 112.7 | K184 | K184-V186 PolarHBondContact O-N 3.39Š| ||
| 187 | D | 63.4 | Low | 74 | Confident | 84 Ų | 84 | 72 Ų | 72 | 45% | 0.449 | 38% | 0.378 | S | S | . | . | trans | -102.4 | 116.7 | -173 | -167.7 | -10.7 | 0 | 0 | 0 | 112.5 | N189 S190 | D187-N189 PolarHBondContact O-N 2.93Å; D187-N189 WeakPolarHBondContact OD1-CB 3.06Å; D187-N189 PolarHBondContact OD1-N 2.83Å; D187-S190 PolarHBondContact O-N 2.86Å; D187-S190 VanDerWaalsContact O-N 3.08Å; D187-S190 PolarHBondContact O-OG 3.21Å | ||
| 188 | P | 56.9 | Low | 73.6 | Confident | 77 Ų | 77 | 67.3 Ų | 67.3 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -57.5 | -25.3 | 173.3 | -21.1 | 31.2 | 0 | 0 | 0 | 114.2 | S190 Q191 | P188-S190 PolarHBondContact O-N 3.13Å; P188-Q191 WeakPolarHBondContact O-CG 3.46Å |
| 189 | N | 56.5 | Low | 73.6 | Confident | 150 Ų | 150 | 67.8 Ų | 67.8 | 80% | 0.802 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -77 | -9.3 | 178.9 | -66.1 | -37.7 | 0 | 0 | 0 | 113.4 | D187 Q191 | D187-N189 PolarHBondContact O-N 2.93Å; D187-N189 WeakPolarHBondContact OD1-CB 3.06Å; D187-N189 PolarHBondContact OD1-N 2.83Å; N189-Q191 VanDerWaalsContact C-N 3.34Å |
| 190 | S | 62.3 | Low | 73.6 | Confident | 36 Ų | 36 | 64 Ų | 64 | 25% | 0.252 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -93 | 12.6 | 178.9 | 70.9 | 0 | 0 | 0 | 0 | 113.7 | G168 D187 P188 | G168-S190 CarbonylContact C-O 3.33Å; G168-S190 VanDerWaalsContact CA-O 3.31Å; G168-S190 WeakPolarHBondContact CA-O 3.47Å; D187-S190 PolarHBondContact O-N 2.86Å; D187-S190 VanDerWaalsContact O-N 3.08Å; D187-S190 PolarHBondContact O-OG 3.21Å; P188-S190 PolarHBondContact O-N 3.13Å |
| 191 | Q | 69.1 | Low | 73.7 | Confident | 65 Ų | 65 | 61.3 Ų | 61.3 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | trans | -69.9 | 142.5 | -178.8 | -72.5 | -160.2 | 20.4 | 0 | 0 | 112.1 | P188 N189 I211 T213 | P188-Q191 WeakPolarHBondContact O-CG 3.46Å; N189-Q191 VanDerWaalsContact C-N 3.34Å; Q191-I211 PolarHBondContact NE2-O 3.48Å; Q191-T213 PolarHBondContact OE1-OG1 3.22Å; Q191-T213 VanDerWaalsContact OE1-OG1 3.11Å | ||
| 192 | P | 70.7 | Confident | 73.3 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 10% | 0.104 | 35% | 0.349 | C | S | . | . | trans | -63.6 | 143.3 | 175.2 | 27.5 | -34.2 | 0 | 0 | 0 | 110.6 | L166 L194 T213 I215 | L166-P192 HydrophobicContact CD2-CB 3.85Å; L166-P192 HydrophobicContact CG-CB 4.34Å; P192-L194 PolarHBondContact O-N 2.95Å; P192-L194 VanDerWaalsContact O-N 3.11Å; P192-T213 HydrophobicContact CG-CG2 4.42Å; P192-I215 HydrophobicContact CB-CD1 3.8Å; P192-I215 HydrophobicContact CB-CG1 4.36Å; P192-I215 HydrophobicContact CG-CD1 4.01Å; P192-I215 HydrophobicContact CG-CG1 4.07Å | ||
| 193 | T | 73.3 | Confident | 72.7 | Confident | 73 Ų | 73 | 63.8 Ų | 63.8 | 45% | 0.448 | 35% | 0.35 | S | S | . | . | trans | -63.9 | 114.1 | 180 | -44.3 | 0 | 0 | 0 | 0 | 110.2 | F195 R246 | T193-F195 HydrophobicContact CG2-CE1 4.19Å; T193-F195 HydrophobicContact CG2-CZ 4.39Å; T193-R246 PolarHBondContact O-NH2 3.34Å | ||
| 194 | L | 75.3 | Confident | 71.8 | Confident | 68 Ų | 68 | 63.2 Ų | 63.2 | 36% | 0.356 | 36% | 0.357 | S | S | . | . | trans | -88.3 | 141 | 172.9 | -70.7 | 173.7 | 0 | 0 | 0 | 111.1 | P192 E198 V200 T213 A244 | P192-L194 PolarHBondContact O-N 2.95Å; P192-L194 VanDerWaalsContact O-N 3.11Å; L194-E198 VanDerWaalsContact C-OE2 3.28Å; L194-E198 WeakPolarHBondContact CA-OE2 3.29Å; L194-E198 VanDerWaalsContact CB-OE2 3.22Å; L194-E198 WeakPolarHBondContact CB-OE2 3.38Å; L194-E198 WeakPolarHBondContact CD2-OE2 3.26Å; L194-V200 HydrophobicContact CD2-CG2 4.45Å; L194-T213 HydrophobicContact CD1-CG2 3.87Å; L194-T213 HydrophobicContact CD2-CG2 3.76Å; L194-T213 HydrophobicContact CG-CG2 4.05Å; L194-A244 HydrophobicContact CD2-CB 4.34Å | ||
| 195 | F | 75.7 | Confident | 70.9 | Confident | 25 Ų | 25 | 63.7 Ų | 63.7 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | trans | -111.6 | 153.7 | -179.9 | -64.7 | -59.1 | 0 | 0 | 0 | 111.5 | L135 T193 L197 E198 A1310 I1342 L1344 | L135-F195 HydrophobicContact CD1-CD2 4.17Å; L135-F195 HydrophobicContact CD1-CE2 3.88Å; L135-F195 HydrophobicContact CD2-CE2 3.98Å; L135-F195 HydrophobicContact CD2-CZ 4.49Å; T193-F195 HydrophobicContact CG2-CE1 4.19Å; T193-F195 HydrophobicContact CG2-CZ 4.39Å; F195-L197 PolarHBondContact O-N 2.92Å; F195-E198 PolarHBondContact N-OE2 3.5Å; F195-E198 PolarHBondContact O-N 3.44Å; F195-E198 VanDerWaalsContact O-N 3.13Å; F195-A1310 HydrophobicContact CZ-CB 4.22Å; F195-I1342 HydrophobicContact CE1-CG2 3.91Å; F195-I1342 HydrophobicContact CZ-CG2 4.38Å; F195-L1344 HydrophobicContact CB-CD1 3.65Å; F195-L1344 HydrophobicContact CD1-CD1 3.62Å; F195-L1344 HydrophobicContact CD1-CD2 3.94Å; F195-L1344 HydrophobicContact CD1-CG 4.08Å; F195-L1344 HydrophobicContact CD2-CD1 4.34Å; F195-L1344 HydrophobicContact CD2-CD2 4.16Å; F195-L1344 HydrophobicContact CE1-CD1 4.36Å; F195-L1344 HydrophobicContact CE1-CD2 3.86Å; F195-L1344 HydrophobicContact CE1-CG 4.34Å; F195-L1344 HydrophobicContact CE2-CD2 4.09Å; F195-L1344 HydrophobicContact CG-CD1 3.61Å; F195-L1344 HydrophobicContact CG-CD2 4.09Å; F195-L1344 HydrophobicContact CG-CG 4.37Å; F195-L1344 HydrophobicContact CZ-CD2 3.94Å | ||
| 196 | P | 66.4 | Low | 70 | Confident | 82 Ų | 82 | 64.3 Ų | 64.3 | 53% | 0.532 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -17.6 | -176 | -26.2 | 34.3 | 0 | 0 | 0 | 116.4 | ||
| 197 | L | 69.9 | Low | 69.5 | Low | 55 Ų | 55 | 65 Ų | 65 | 29% | 0.288 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 6 | -176.2 | -68 | 165.8 | 0 | 0 | 0 | 113.8 | F195 S1346 | F195-L197 PolarHBondContact O-N 2.92Å; L197-S1346 WeakPolarHBondContact CD1-OG 3.17Å |
| 198 | E | 77.9 | Confident | 69 | Low | 32 Ų | 32 | 64.1 Ų | 64.1 | 15% | 0.15 | 37% | 0.367 | C | S | . | . | trans | -79.1 | 144.6 | -173 | -83.5 | 175.4 | 137 | 0 | 0 | 115.2 | L194 F195 V200 R246 | L194-E198 VanDerWaalsContact C-OE2 3.28Å; L194-E198 WeakPolarHBondContact CA-OE2 3.29Å; L194-E198 VanDerWaalsContact CB-OE2 3.22Å; L194-E198 WeakPolarHBondContact CB-OE2 3.38Å; L194-E198 WeakPolarHBondContact CD2-OE2 3.26Å; F195-E198 PolarHBondContact N-OE2 3.5Å; F195-E198 PolarHBondContact O-N 3.44Å; F195-E198 VanDerWaalsContact O-N 3.13Å; E198-V200 HydrophobicContact CB-CG2 4.22Å; E198-V200 PolarHBondContact O-N 2.92Å; E198-R246 IonicContact OE1-CZ 3.98Å; E198-R246 IonicContact OE1-NE 3.34Å; E198-R246 PolarHBondContact OE1-NE 2.99Å; E198-R246 IonicContact OE1-NH2 3.35Å; E198-R246 PolarHBondContact OE1-NH2 3Å; E198-R246 IonicContact OE2-NH2 3.04Å | ||
| 199 | K | 88.5 | Confident | 69 | Low | 13 Ų | 13 | 68 Ų | 68 | 6% | 0.057 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 98.8 | 174.9 | -49.8 | 96.1 | -165 | 179.7 | 0 | 107.5 | E43 A46 N50 F53 W54 A244 F245 | E43-K199 IonicContact OE1-NZ 2.87Å; E43-K199 PolarHBondContact OE1-NZ 3.01Å; E43-K199 WeakPolarHBondContact OE2-CE 3.44Å; E43-K199 IonicContact OE2-NZ 3.24Å; E43-K199 PolarHBondContact OE2-NZ 2.91Å; A46-K199 HydrophobicContact CB-CD 4.47Å; A46-K199 HydrophobicContact CB-CG 3.84Å; N50-K199 WeakPolarHBondContact OD1-CA 3.4Å; F53-K199 HydrophobicContact CD1-CB 3.82Å; F53-K199 HydrophobicContact CD1-CG 4Å; F53-K199 HydrophobicContact CD2-CG 4.38Å; F53-K199 HydrophobicContact CE1-CB 3.84Å; F53-K199 HydrophobicContact CE1-CG 4.1Å; F53-K199 HydrophobicContact CE2-CG 4.45Å; F53-K199 HydrophobicContact CG-CB 4.46Å; F53-K199 HydrophobicContact CG-CG 4.16Å; F53-K199 HydrophobicContact CZ-CB 4.49Å; F53-K199 HydrophobicContact CZ-CD 4.45Å; F53-K199 HydrophobicContact CZ-CG 4.34Å; W54-K199 HydrophobicContact CZ2-CB 4.18Å; W54-K199 WeakPolarHBondContact CZ2-O 3.37Å; K199-A244 VanDerWaalsContact O-CA 3.26Å; K199-A244 WeakPolarHBondContact O-CA 3.44Å; K199-F245 HydrophobicContact CD-CD1 4.49Å; K199-F245 PolarHBondContact O-N 3.41Å |
| 200 | V | 86.5 | Confident | 69.5 | Low | 32 Ų | 32 | 66.9 Ų | 66.9 | 19% | 0.194 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 128.2 | 179.7 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | N50 L194 E198 N242 Y243 A244 | N50-V200 PolarHBondContact ND2-O 3.32Å; L194-V200 HydrophobicContact CD2-CG2 4.45Å; E198-V200 HydrophobicContact CB-CG2 4.22Å; E198-V200 PolarHBondContact O-N 2.92Å; V200-N242 HydrophobicContact CG1-CB 4.32Å; V200-Y243 CarbonylContact C-O 3.56Å; V200-Y243 WeakPolarHBondContact CA-O 3.47Å; V200-A244 HydrophobicContact CG2-CB 4.29Å |
| 201 | Y | 87.6 | Confident | 70.1 | Confident | 47 Ų | 47 | 66.3 Ų | 66.3 | 18% | 0.184 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 109 | 166.9 | -167.4 | -97.5 | 0 | 0 | 0 | 107.7 | W54 K233 S236 D237 Y243 | W54-Y201 AromaticContact CD1-CD2 3.79Å; W54-Y201 AromaticContact CD2-CD2 3.96Å; W54-Y201 HydrophobicContact CD2-CD2 3.96Å; W54-Y201 AromaticContact CG-CD2 3.83Å; W54-Y201 HydrophobicContact CG-CD2 3.83Å; W54-Y201 HydrophobicContact CG-CE2 4.49Å; W54-Y201 AromaticContact NE1-CD2 3.9Å; Y201-K233 HydrophobicContact CD1-CG 4.47Å; Y201-K233 HydrophobicContact CE1-CG 3.94Å; Y201-S236 PolarHBondContact O-OG 3.1Å; Y201-D237 WeakPolarHBondContact CE1-OD1 3.24Å; Y201-D237 PolarHBondContact OH-OD1 3.4Å; Y201-D237 VanDerWaalsContact OH-OD1 3.06Å; Y201-Y243 PolarHBondContact N-O 3.16Å; Y201-Y243 PolarHBondContact O-N 2.62Å |
| 202 | S | 78.1 | Confident | 70.7 | Confident | 70 Ų | 70 | 64.3 Ų | 64.3 | 49% | 0.49 | 36% | 0.364 | S | S | . | . | trans | -99.3 | 146.3 | 179 | -60.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 203 | S | 69.7 | Low | 71.3 | Confident | 9 Ų | 9 | 63.8 Ų | 63.8 | 6% | 0.063 | 36% | 0.361 | C | S | . | . | trans | -67.7 | 134.7 | -178.8 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | K205 D206 S236 | S203-K205 PolarHBondContact O-N 3.04Å; S203-K205 PolarHBondContact OG-N 3.32Å; S203-D206 WeakPolarHBondContact O-CB 3.3Å; S203-D206 PolarHBondContact O-N 2.89Å; S203-D206 VanDerWaalsContact O-N 3.13Å; S203-S236 WeakPolarHBondContact CB-O 3.35Å; S203-S236 PolarHBondContact OG-O 3.47Å | ||
| 204 | P | 64.5 | Low | 72.2 | Confident | 108 Ų | 108 | 60.3 Ų | 60.3 | 70% | 0.701 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13.7 | 170.9 | 26.4 | -32.3 | 0 | 0 | 0 | 113.3 | ||
| 205 | K | 63.5 | Low | 73 | Confident | 132 Ų | 132 | 57.1 Ų | 57.1 | 57% | 0.574 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -3.4 | 175.6 | -64.1 | 175.6 | -173.6 | 147.2 | 0 | 112.9 | S203 T207 D237 D238 | S203-K205 PolarHBondContact O-N 3.04Å; S203-K205 PolarHBondContact OG-N 3.32Å; K205-T207 PolarHBondContact O-N 3.28Å; K205-D237 WeakPolarHBondContact CE-O 3.29Å; K205-D237 PolarHBondContact NZ-O 3.49Å; K205-D238 IonicContact NZ-OD1 3.54Å |
| 206 | D | 53.6 | Low | 73.9 | Confident | 46 Ų | 46 | 55.9 Ų | 55.9 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | trans | -72.4 | 121.6 | -175.4 | -163.1 | -1.7 | 0 | 0 | 0 | 111.2 | S203 S208 I211 | S203-D206 WeakPolarHBondContact O-CB 3.3Å; S203-D206 PolarHBondContact O-N 2.89Å; S203-D206 VanDerWaalsContact O-N 3.13Å; D206-S208 PolarHBondContact OD1-N 2.87Å; D206-I211 HydrophobicContact CB-CD1 4.06Å; D206-I211 VanDerWaalsContact CG-CD1 3.47Å; D206-I211 WeakPolarHBondContact OD1-CD1 3.35Å | ||
| 207 | T | 51 | Low | 75.2 | Confident | 146 Ų | 146 | 52 Ų | 52 | 90% | 0.896 | 29% | 0.292 | S | S | * | . | trans | -122.5 | 0.8 | 172.7 | 44.1 | 0 | 0 | 0 | 0 | 111.8 | K205 | K205-T207 PolarHBondContact O-N 3.28Š| ||
| 208 | S | 52.1 | Low | 76.4 | Confident | 65 Ų | 65 | 49.4 Ų | 49.4 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -145.8 | 123.8 | -174.2 | 61.4 | 0 | 0 | 0 | 0 | 112 | D206 N210 | D206-S208 PolarHBondContact OD1-N 2.87Å; S208-N210 PolarHBondContact O-N 3.27Å |
| 209 | N | 57.6 | Low | 77 | Confident | 159 Ų | 159 | 48.8 Ų | 48.8 | 85% | 0.85 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 17.9 | -179 | -77 | -0.2 | 0 | 0 | 0 | 117.1 | ||
| 210 | N | 65.3 | Low | 77.2 | Confident | 126 Ų | 126 | 48.1 Ų | 48.1 | 67% | 0.674 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 6.8 | -171.8 | -78.1 | -1.5 | 0 | 0 | 0 | 114.9 | S208 | S208-N210 PolarHBondContact O-N 3.27Š|
| 211 | I | 75.6 | Confident | 77.2 | Confident | 23 Ų | 23 | 47.5 Ų | 47.5 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -80.1 | 134.6 | -179 | -58.5 | 179 | 0 | 0 | 0 | 110 | Q191 D206 | Q191-I211 PolarHBondContact NE2-O 3.48Å; D206-I211 HydrophobicContact CB-CD1 4.06Å; D206-I211 VanDerWaalsContact CG-CD1 3.47Å; D206-I211 WeakPolarHBondContact OD1-CD1 3.35Å |
| 212 | P | 81.8 | Confident | 77.2 | Confident | 24 Ų | 24 | 48.3 Ų | 48.3 | 16% | 0.156 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 142.3 | -178.9 | 27.3 | -35.1 | 0 | 0 | 0 | 112.2 | I182 V185 L240 C241 N242 | I182-P212 HydrophobicContact CG2-CG 4.25Å; V185-P212 HydrophobicContact CB-CB 4.13Å; V185-P212 HydrophobicContact CG1-CB 3.91Å; P212-L240 WeakPolarHBondContact CG-O 3.42Å; P212-C241 CarbonylContact O-C 3.48Å; P212-C241 VanDerWaalsContact O-CA 3.24Å; P212-C241 WeakPolarHBondContact O-CA 3.39Å; P212-C241 WeakPolarHBondContact O-CB 3.42Å; P212-N242 PolarHBondContact O-N 2.72Å |
| 213 | T | 84.4 | Confident | 77.7 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 134 | 176.8 | -58.5 | 0 | 0 | 0 | 0 | 111 | Q191 P192 L194 N242 | Q191-T213 PolarHBondContact OE1-OG1 3.22Å; Q191-T213 VanDerWaalsContact OE1-OG1 3.11Å; P192-T213 HydrophobicContact CG-CG2 4.42Å; L194-T213 HydrophobicContact CD1-CG2 3.87Å; L194-T213 HydrophobicContact CD2-CG2 3.76Å; L194-T213 HydrophobicContact CG-CG2 4.05Å; T213-N242 CarbonylContact C-O 3.53Å; T213-N242 WeakPolarHBondContact CA-O 3.18Å |
| 214 | V | 90.4 | Very high | 78.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.6 | -176.1 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | V165 L166 A167 I182 L232 C241 N242 A244 | V165-V214 HydrophobicContact CG1-CG1 3.22Å; L166-V214 WeakPolarHBondContact O-CA 3.13Å; A167-V214 HydrophobicContact CB-CG1 4.46Å; A167-V214 HydrophobicContact CB-CG2 4.44Å; I182-V214 HydrophobicContact CD1-CG2 4Å; I182-V214 HydrophobicContact CG1-CG2 3.81Å; V214-L232 HydrophobicContact CB-CD2 4.43Å; V214-L232 HydrophobicContact CG1-CD2 3.8Å; V214-C241 HydrophobicContact CB-CB 4.47Å; V214-C241 HydrophobicContact CG2-CB 3.7Å; V214-N242 PolarHBondContact N-O 2.85Å; V214-A244 PolarHBondContact O-N 3.46Å |
| 215 | I | 92.6 | Very high | 80 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.6 | -177.1 | -50.6 | -174.7 | 0 | 0 | 0 | 110.2 | V165 L166 P192 Y217 A244 R246 | V165-I215 CarbonylContact C-O 3.44Å; V165-I215 WeakPolarHBondContact CA-O 2.96Å; L166-I215 HydrophobicContact CB-CB 4.3Å; L166-I215 HydrophobicContact CD2-CD1 4.5Å; L166-I215 PolarHBondContact N-O 3.23Å; L166-I215 PolarHBondContact O-N 3.39Å; P192-I215 HydrophobicContact CB-CD1 3.8Å; P192-I215 HydrophobicContact CB-CG1 4.36Å; P192-I215 HydrophobicContact CG-CD1 4.01Å; P192-I215 HydrophobicContact CG-CG1 4.07Å; I215-Y217 HydrophobicContact CB-CE2 4.5Å; I215-Y217 HydrophobicContact CG2-CD2 4.35Å; I215-Y217 HydrophobicContact CG2-CE2 3.97Å; I215-A244 CarbonylContact C-O 3.54Å; I215-A244 WeakPolarHBondContact CA-O 3.41Å; I215-A244 HydrophobicContact CG1-CB 4.22Å; I215-R246 HydrophobicContact CG2-CB 4.19Å; I215-R246 HydrophobicContact CG2-CG 3.87Å |
| 216 | L | 94.9 | Very high | 81.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 122.3 | 169.7 | -178.3 | 63.6 | 0 | 0 | 0 | 110.2 | A163 V165 F225 W228 L232 Y243 A244 R246 | A163-L216 HydrophobicContact CB-CD1 4.19Å; V165-L216 HydrophobicContact CG2-CB 4.43Å; V165-L216 HydrophobicContact CG2-CD1 3.47Å; V165-L216 VanDerWaalsContact CG2-CD1 3.47Å; L216-F225 HydrophobicContact CD2-CD2 3.86Å; L216-F225 HydrophobicContact CD2-CE2 3.38Å; L216-F225 HydrophobicContact CD2-CZ 4.19Å; L216-F225 HydrophobicContact CG-CD2 4.46Å; L216-F225 HydrophobicContact CG-CE2 4.09Å; L216-W228 HydrophobicContact CD1-CB 3.76Å; L216-W228 HydrophobicContact CD1-CD2 4.29Å; L216-W228 HydrophobicContact CD1-CE3 4.37Å; L216-W228 HydrophobicContact CD1-CG 4.08Å; L216-W228 HydrophobicContact CD2-CB 3.94Å; L216-L232 HydrophobicContact CB-CD1 3.85Å; L216-L232 HydrophobicContact CD1-CD1 4.3Å; L216-L232 HydrophobicContact CD2-CD1 4.21Å; L216-L232 HydrophobicContact CG-CD1 4.35Å; L216-Y243 HydrophobicContact CB-CD2 4.49Å; L216-Y243 HydrophobicContact CB-CE2 3.57Å; L216-Y243 HydrophobicContact CD2-CE2 4.15Å; L216-Y243 WeakPolarHBondContact CD2-OH 3.37Å; L216-A244 PolarHBondContact N-O 3.49Å; L216-R246 PolarHBondContact O-N 3.3Å |
| 217 | Y | 94.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125.4 | 166.8 | -71.6 | -75.4 | 0 | 0 | 0 | 109.5 | A136 D139 A163 W164 L166 I215 R246 | A136-Y217 VanDerWaalsContact CA-CE1 3.4Å; A136-Y217 HydrophobicContact CB-CD1 3.26Å; A136-Y217 HydrophobicContact CB-CE1 3.42Å; A136-Y217 VanDerWaalsContact CB-CE1 3.42Å; A136-Y217 HydrophobicContact CB-CG 3.94Å; D139-Y217 PolarHBondContact OD2-OH 2.98Å; A163-Y217 CarbonylContact C-O 3.58Å; A163-Y217 WeakPolarHBondContact CA-O 3.44Å; A163-Y217 WeakPolarHBondContact CB-O 3.39Å; W164-Y217 AromaticContact CD2-CD2 3.99Å; W164-Y217 HydrophobicContact CD2-CD2 3.99Å; W164-Y217 HydrophobicContact CD2-CG 4.37Å; W164-Y217 AromaticContact CE2-CD2 3.66Å; W164-Y217 AromaticContact CE2-CG 3.78Å; W164-Y217 AromaticContact CE3-CD2 3.95Å; W164-Y217 HydrophobicContact CE3-CD2 3.95Å; W164-Y217 AromaticContact CH2-CD2 3.28Å; W164-Y217 HydrophobicContact CH2-CD2 3.28Å; W164-Y217 AromaticContact CH2-CE2 3.38Å; W164-Y217 HydrophobicContact CH2-CE2 3.38Å; W164-Y217 HydrophobicContact CH2-CG 4.1Å; W164-Y217 HydrophobicContact CZ2-CD1 4.37Å; W164-Y217 AromaticContact CZ2-CD2 3.3Å; W164-Y217 HydrophobicContact CZ2-CD2 3.3Å; W164-Y217 AromaticContact CZ2-CE2 3.76Å; W164-Y217 HydrophobicContact CZ2-CE2 3.76Å; W164-Y217 AromaticContact CZ2-CG 3.63Å; W164-Y217 HydrophobicContact CZ2-CG 3.63Å; W164-Y217 AromaticContact CZ3-CD2 3.61Å; W164-Y217 HydrophobicContact CZ3-CD2 3.61Å; W164-Y217 AromaticContact CZ3-CE2 3.89Å; W164-Y217 HydrophobicContact CZ3-CE2 3.89Å; W164-Y217 PolarHBondContact N-O 3.34Å; W164-Y217 PolarHBondContact O-N 3.42Å; L166-Y217 HydrophobicContact CB-CE2 4.33Å; I215-Y217 HydrophobicContact CB-CE2 4.5Å; I215-Y217 HydrophobicContact CG2-CD2 4.35Å; I215-Y217 HydrophobicContact CG2-CE2 3.97Å; Y217-R246 VanDerWaalsContact CA-O 3.31Å; Y217-R246 WeakPolarHBondContact CA-O 3.23Å; Y217-R246 HydrophobicContact CD1-CB 3.45Å; Y217-R246 VanDerWaalsContact CD1-CB 3.45Å; Y217-R246 HydrophobicContact CE1-CB 3.3Å; Y217-R246 HydrophobicContact CE1-CG 3.96Å; Y217-R246 HydrophobicContact CG-CB 4.43Å; Y217-R246 VanDerWaalsContact OH-CD 3.27Å; Y217-R246 WeakPolarHBondContact OH-CD 3.33Å; Y217-R246 PolarHBondContact OH-NH1 3.1Å |
| 218 | G | 93.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.3 | 173.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | V162 R246 Y248 | V162-G218 VanDerWaalsContact O-CA 3.25Å; V162-G218 WeakPolarHBondContact O-CA 3.35Å; G218-R246 PolarHBondContact N-O 3.3Å; G218-R246 VanDerWaalsContact N-O 3.16Å; G218-Y248 CarbonylContact C-O 3.52Å; G218-Y248 VanDerWaalsContact C-O 3.29Å; G218-Y248 PolarHBondContact O-N 3.44Å; G218-Y248 VanDerWaalsContact O-N 3.15Å |
| 219 | D | 91.9 | Very high | 87.4 | Confident | 19 Ų | 19 | 30.4 Ų | 30.4 | 10% | 0.102 | 16% | 0.16 | C | C | . | . | trans | -98.8 | 121 | 177.3 | -173.9 | -14.7 | 0 | 0 | 0 | 111.2 | V162 S221 H222 F225 Y248 F249 | V162-D219 PolarHBondContact O-N 3.02Å; V162-D219 VanDerWaalsContact O-N 3.15Å; D219-S221 PolarHBondContact O-N 2.65Å; D219-S221 VanDerWaalsContact O-N 3.17Å; D219-S221 WeakPolarHBondContact OD1-CB 3.11Å; D219-S221 PolarHBondContact OD1-N 3.39Å; D219-S221 PolarHBondContact OD1-OG 3.11Å; D219-S221 PolarHBondContact OD2-OG 2.98Å; D219-H222 PolarHBondContact O-N 3.22Å; D219-H222 IonicContact OD2-CE1 3.39Å; D219-H222 PolarHBondContact OD2-CE1 3.38Å; D219-H222 IonicContact OD2-ND1 2.6Å; D219-H222 PolarHBondContact OD2-ND1 3.39Å; D219-F225 VanDerWaalsContact O-CB 3.29Å; D219-F225 WeakPolarHBondContact O-CB 3Å; D219-Y248 WeakPolarHBondContact CB-O 3.15Å; D219-Y248 PolarHBondContact N-O 2.9Å; D219-F249 HydrophobicContact CB-CD1 4.17Å | ||
| 220 | L | 91.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -15.4 | -179.3 | -58.5 | -175.4 | 0 | 0 | 0 | 113.9 | L38 L57 H222 F225 Y226 F245 | L38-L220 HydrophobicContact CD2-CB 3.86Å; L38-L220 HydrophobicContact CG-CB 4.36Å; L57-L220 HydrophobicContact CD2-CD1 4.07Å; L57-L220 HydrophobicContact CD2-CD2 3.6Å; L57-L220 HydrophobicContact CD2-CG 4.45Å; L220-H222 VanDerWaalsContact C-N 3.29Å; L220-H222 PolarHBondContact O-N 3.31Å; L220-F225 HydrophobicContact CD2-CD1 4Å; L220-F225 HydrophobicContact CD2-CE1 3.36Å; L220-F225 HydrophobicContact CD2-CE2 4.13Å; L220-F225 HydrophobicContact CD2-CZ 3.43Å; L220-F225 VanDerWaalsContact CD2-CZ 3.43Å; L220-Y226 WeakPolarHBondContact O-CE2 3.24Å; L220-Y226 PolarHBondContact O-OH 3.39Å; L220-F245 HydrophobicContact CD2-CE1 4.13Å; L220-F245 HydrophobicContact CD2-CE2 3.95Å; L220-F245 HydrophobicContact CD2-CZ 3.5Å; L220-F245 VanDerWaalsContact CD2-CZ 3.5Å; L220-F245 HydrophobicContact CG-CZ 4.01Å |
| 221 | S | 86.3 | Confident | 90.5 | Very high | 18 Ų | 18 | 26.3 Ų | 26.3 | 13% | 0.126 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -2.2 | -176.1 | 64 | 0 | 0 | 0 | 0 | 114.6 | D219 | D219-S221 PolarHBondContact O-N 2.65Å; D219-S221 VanDerWaalsContact O-N 3.17Å; D219-S221 WeakPolarHBondContact OD1-CB 3.11Å; D219-S221 PolarHBondContact OD1-N 3.39Å; D219-S221 PolarHBondContact OD1-OG 3.11Å; D219-S221 PolarHBondContact OD2-OG 2.98Å |
| 222 | H | 88.6 | Confident | 91.3 | Very high | 65 Ų | 65 | 25.2 Ų | 25.2 | 30% | 0.301 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -119.3 | 141 | -171.4 | -69.1 | 78.6 | 0 | 0 | 0 | 113.7 | V162 D219 L220 E224 F225 Y226 | V162-H222 HydrophobicContact CG1-CB 3.44Å; V162-H222 VanDerWaalsContact CG1-CB 3.44Å; V162-H222 HydrophobicContact CG2-CB 4.26Å; D219-H222 PolarHBondContact O-N 3.22Å; D219-H222 IonicContact OD2-CE1 3.39Å; D219-H222 PolarHBondContact OD2-CE1 3.38Å; D219-H222 IonicContact OD2-ND1 2.6Å; D219-H222 PolarHBondContact OD2-ND1 3.39Å; L220-H222 VanDerWaalsContact C-N 3.29Å; L220-H222 PolarHBondContact O-N 3.31Å; H222-E224 VanDerWaalsContact C-N 3.26Å; H222-E224 PolarHBondContact O-N 3.03Å; H222-F225 WeakPolarHBondContact O-CB 3.32Å; H222-F225 PolarHBondContact O-N 3.46Å; H222-Y226 WeakPolarHBondContact O-CD2 3.39Å |
| 223 | H | 88.8 | Confident | 91.7 | Very high | 86 Ų | 86 | 25.8 Ų | 25.8 | 40% | 0.398 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -59.5 | -35.1 | 178.6 | -84.7 | -74.9 | 0 | 0 | 0 | 113.3 | L64 D65 F225 Y226 S227 | L64-H223 HydrophobicContact CD2-CB 4.26Å; D65-H223 IonicContact OD1-CD2 3.65Å; D65-H223 IonicContact OD1-CE1 2.75Å; D65-H223 IonicContact OD1-NE2 2.72Å; D65-H223 PolarHBondContact OD1-NE2 2.99Å; H223-F225 VanDerWaalsContact C-N 3.33Å; H223-F225 PolarHBondContact O-N 2.81Å; H223-Y226 PolarHBondContact O-N 3.29Å; H223-Y226 VanDerWaalsContact O-N 3.16Å; H223-S227 PolarHBondContact O-N 2.99Å |
| 224 | E | 89.5 | Confident | 92.1 | Very high | 73 Ų | 73 | 27.9 Ų | 27.9 | 34% | 0.341 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.1 | -38 | -178.8 | -172.3 | -178.5 | 159.2 | 0 | 0 | 112 | S160 V162 H222 Y226 S227 W228 | S160-E224 WeakPolarHBondContact CB-OE1 3.48Å; S160-E224 WeakPolarHBondContact CB-OE2 3.31Å; S160-E224 PolarHBondContact OG-OE1 3.39Å; S160-E224 PolarHBondContact OG-OE2 2.81Å; V162-E224 HydrophobicContact CB-CB 4.35Å; V162-E224 HydrophobicContact CG1-CB 4.07Å; H222-E224 VanDerWaalsContact C-N 3.26Å; H222-E224 PolarHBondContact O-N 3.03Å; E224-Y226 VanDerWaalsContact C-N 3.25Å; E224-Y226 PolarHBondContact O-N 3.01Å; E224-S227 WeakPolarHBondContact O-CB 3.36Å; E224-S227 PolarHBondContact O-N 3.06Å; E224-S227 PolarHBondContact O-OG 3.06Å; E224-W228 PolarHBondContact O-N 2.9Å |
| 225 | F | 92.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.4 | -42.7 | 173.8 | 166.3 | -97.8 | 0 | 0 | 0 | 112 | L57 V162 L216 D219 L220 H222 H223 S227 W228 H229 F245 | L57-F225 HydrophobicContact CD1-CE1 4.48Å; L57-F225 HydrophobicContact CD1-CZ 4.33Å; L57-F225 HydrophobicContact CD2-CE1 4.49Å; V162-F225 HydrophobicContact CG1-CB 4.31Å; L216-F225 HydrophobicContact CD2-CD2 3.86Å; L216-F225 HydrophobicContact CD2-CE2 3.38Å; L216-F225 HydrophobicContact CD2-CZ 4.19Å; L216-F225 HydrophobicContact CG-CD2 4.46Å; L216-F225 HydrophobicContact CG-CE2 4.09Å; D219-F225 VanDerWaalsContact O-CB 3.29Å; D219-F225 WeakPolarHBondContact O-CB 3Å; L220-F225 HydrophobicContact CD2-CD1 4Å; L220-F225 HydrophobicContact CD2-CE1 3.36Å; L220-F225 HydrophobicContact CD2-CE2 4.13Å; L220-F225 HydrophobicContact CD2-CZ 3.43Å; L220-F225 VanDerWaalsContact CD2-CZ 3.43Å; H222-F225 WeakPolarHBondContact O-CB 3.32Å; H222-F225 PolarHBondContact O-N 3.46Å; H223-F225 VanDerWaalsContact C-N 3.33Å; H223-F225 PolarHBondContact O-N 2.81Å; F225-S227 PolarHBondContact O-N 3.18Å; F225-W228 WeakPolarHBondContact O-CB 3.32Å; F225-W228 PolarHBondContact O-N 2.87Å; F225-W228 VanDerWaalsContact O-N 3.17Å; F225-H229 HydrophobicContact CE1-CB 4.3Å; F225-H229 HydrophobicContact CZ-CB 4.38Å; F225-H229 PolarHBondContact O-N 3.2Å; F225-F245 HydrophobicContact CD2-CE2 4.29Å; F225-F245 AromaticContact CE2-CD2 3.61Å; F225-F245 HydrophobicContact CE2-CD2 3.61Å; F225-F245 AromaticContact CE2-CE2 3.3Å; F225-F245 HydrophobicContact CE2-CE2 3.3Å; F225-F245 HydrophobicContact CE2-CZ 4.33Å; F225-F245 AromaticContact CZ-CD2 3.84Å; F225-F245 HydrophobicContact CZ-CD2 3.84Å; F225-F245 AromaticContact CZ-CE2 3.64Å; F225-F245 HydrophobicContact CZ-CE2 3.64Å; F225-F245 HydrophobicContact CZ-CZ 4.39Å |
| 226 | Y | 93.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.2 | -16.9 | -179.5 | -68.4 | -78.1 | 0 | 0 | 0 | 113.9 | L57 I60 L64 L220 H222 H223 E224 R230 | L57-Y226 HydrophobicContact CB-CE1 4.49Å; L57-Y226 WeakPolarHBondContact O-CE1 3.36Å; I60-Y226 WeakPolarHBondContact CB-OH 3.5Å; I60-Y226 HydrophobicContact CG2-CE2 4.47Å; I60-Y226 WeakPolarHBondContact CG2-OH 3.27Å; L64-Y226 HydrophobicContact CD1-CE2 3.78Å; L64-Y226 HydrophobicContact CD2-CD2 3.56Å; L64-Y226 HydrophobicContact CD2-CE2 3.61Å; L64-Y226 HydrophobicContact CG-CE2 4.29Å; L220-Y226 WeakPolarHBondContact O-CE2 3.24Å; L220-Y226 PolarHBondContact O-OH 3.39Å; H222-Y226 WeakPolarHBondContact O-CD2 3.39Å; H223-Y226 PolarHBondContact O-N 3.29Å; H223-Y226 VanDerWaalsContact O-N 3.16Å; E224-Y226 VanDerWaalsContact C-N 3.25Å; E224-Y226 PolarHBondContact O-N 3.01Å; Y226-R230 WeakPolarHBondContact O-CB 3.43Å; Y226-R230 WeakPolarHBondContact O-CG 3.29Å; Y226-R230 PolarHBondContact O-N 2.85Å; Y226-R230 PolarHBondContact O-NE 3.01Å |
| 227 | S | 93.2 | Very high | 91.6 | Very high | 33 Ų | 33 | 31.4 Ų | 31.4 | 23% | 0.231 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -75.5 | -40.8 | 170.6 | 71.1 | 0 | 0 | 0 | 0 | 111.8 | I175 H223 E224 F225 S231 | I175-S227 WeakPolarHBondContact CD1-OG 3.2Å; H223-S227 PolarHBondContact O-N 2.99Å; E224-S227 WeakPolarHBondContact O-CB 3.36Å; E224-S227 PolarHBondContact O-N 3.06Å; E224-S227 PolarHBondContact O-OG 3.06Å; F225-S227 PolarHBondContact O-N 3.18Å; S227-S231 PolarHBondContact O-N 3.33Å; S227-S231 PolarHBondContact O-OG 3.15Å |
| 228 | W | 93.7 | Very high | 91.2 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 1% | 0.011 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63 | -49.2 | 170.4 | -72.5 | 95.8 | 0 | 0 | 0 | 111.6 | A163 V165 V172 I175 L178 L216 E224 F225 R230 S231 L232 | A163-W228 HydrophobicContact CB-CG 4.33Å; V165-W228 HydrophobicContact CB-CZ3 4.21Å; V165-W228 HydrophobicContact CG2-CD2 4.44Å; V165-W228 HydrophobicContact CG2-CE3 3.52Å; V165-W228 HydrophobicContact CG2-CH2 4.46Å; V165-W228 HydrophobicContact CG2-CZ3 3.54Å; V172-W228 HydrophobicContact CG1-CH2 4.3Å; V172-W228 HydrophobicContact CG1-CZ3 4.44Å; I175-W228 HydrophobicContact CB-CH2 4.44Å; I175-W228 HydrophobicContact CB-CZ2 4.43Å; I175-W228 HydrophobicContact CB-CZ3 4.48Å; I175-W228 HydrophobicContact CD1-CD2 3.98Å; I175-W228 HydrophobicContact CD1-CG 3.98Å; I175-W228 HydrophobicContact CG1-CD2 3.37Å; I175-W228 HydrophobicContact CG1-CE3 3.73Å; I175-W228 HydrophobicContact CG1-CG 3.92Å; I175-W228 HydrophobicContact CG1-CH2 3.87Å; I175-W228 HydrophobicContact CG1-CZ2 3.49Å; I175-W228 VanDerWaalsContact CG1-CZ2 3.49Å; I175-W228 HydrophobicContact CG1-CZ3 3.96Å; I175-W228 VanDerWaalsContact N-CH2 3.25Å; L178-W228 HydrophobicContact CB-CZ3 4.43Å; L178-W228 HydrophobicContact CD1-CZ3 4.26Å; L178-W228 HydrophobicContact CD2-CE3 4.3Å; L178-W228 HydrophobicContact CD2-CZ3 4.34Å; L216-W228 HydrophobicContact CD1-CB 3.76Å; L216-W228 HydrophobicContact CD1-CD2 4.29Å; L216-W228 HydrophobicContact CD1-CE3 4.37Å; L216-W228 HydrophobicContact CD1-CG 4.08Å; L216-W228 HydrophobicContact CD2-CB 3.94Å; E224-W228 PolarHBondContact O-N 2.9Å; F225-W228 WeakPolarHBondContact O-CB 3.32Å; F225-W228 PolarHBondContact O-N 2.87Å; F225-W228 VanDerWaalsContact O-N 3.17Å; W228-R230 PolarHBondContact O-N 2.97Å; W228-S231 PolarHBondContact O-N 2.96Å; W228-L232 PolarHBondContact O-N 3.22Å |
| 229 | H | 93.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.4 | -48.9 | 179.7 | 174.7 | 46.9 | 0 | 0 | 0 | 112.4 | W54 D58 F225 S231 L232 K233 Y243 | W54-H229 AromaticContact CE3-CE1 3.69Å; W54-H229 AromaticContact CZ3-CE1 3.8Å; D58-H229 IonicContact OD1-NE2 3.74Å; F225-H229 HydrophobicContact CE1-CB 4.3Å; F225-H229 HydrophobicContact CZ-CB 4.38Å; F225-H229 PolarHBondContact O-N 3.2Å; H229-S231 VanDerWaalsContact C-N 3.33Å; H229-S231 PolarHBondContact O-N 3.06Å; H229-L232 PolarHBondContact O-N 3.11Å; H229-K233 VanDerWaalsContact O-CB 3.24Å; H229-K233 WeakPolarHBondContact O-CB 3.41Å; H229-K233 PolarHBondContact O-N 2.64Å; H229-Y243 AromaticContact CE1-CE1 3.84Å; H229-Y243 AromaticContact ND1-CE1 3.32Å; H229-Y243 VanDerWaalsContact ND1-CE1 3.32Å; H229-Y243 WeakPolarHBondContact ND1-CE1 3.36Å; H229-Y243 AromaticContact ND1-CZ 3.73Å; H229-Y243 PolarHBondContact ND1-OH 3.16Å |
| 230 | R | 94.4 | Very high | 90.3 | Very high | 156 Ų | 156 | 39.6 Ų | 39.6 | 59% | 0.589 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -62 | -40.7 | 178.8 | -79.8 | 179.6 | -75.1 | 152.4 | -8.7 | 112.3 | Y226 W228 A234 | Y226-R230 WeakPolarHBondContact O-CB 3.43Å; Y226-R230 WeakPolarHBondContact O-CG 3.29Å; Y226-R230 PolarHBondContact O-N 2.85Å; Y226-R230 PolarHBondContact O-NE 3.01Å; W228-R230 PolarHBondContact O-N 2.97Å; R230-A234 WeakPolarHBondContact O-CB 3.29Å; R230-A234 PolarHBondContact O-N 2.98Å |
| 231 | S | 93.4 | Very high | 90 | Very high | 43 Ų | 43 | 39.6 Ų | 39.6 | 30% | 0.301 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66 | -47.5 | 179.6 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | S227 W228 H229 A234 L235 | S227-S231 PolarHBondContact O-N 3.33Å; S227-S231 PolarHBondContact O-OG 3.15Å; W228-S231 PolarHBondContact O-N 2.96Å; H229-S231 VanDerWaalsContact C-N 3.33Å; H229-S231 PolarHBondContact O-N 3.06Å; S231-A234 PolarHBondContact O-N 3.46Å; S231-L235 VanDerWaalsContact O-CG 3.32Å; S231-L235 WeakPolarHBondContact O-CG 3.38Å; S231-L235 PolarHBondContact O-N 3.3Å |
| 232 | L | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.3 | -40.1 | 177.8 | -78.9 | 168.4 | 0 | 0 | 0 | 113 | V165 L178 I182 V214 L216 W228 H229 A234 L235 S236 Y243 | V165-L232 HydrophobicContact CG2-CD1 4.02Å; L178-L232 HydrophobicContact CD1-CD2 4.1Å; L178-L232 HydrophobicContact CD2-CD2 3.79Å; L178-L232 HydrophobicContact CD2-CG 3.84Å; L178-L232 HydrophobicContact CG-CD2 4.33Å; I182-L232 HydrophobicContact CD1-CD2 4.24Å; V214-L232 HydrophobicContact CB-CD2 4.43Å; V214-L232 HydrophobicContact CG1-CD2 3.8Å; L216-L232 HydrophobicContact CB-CD1 3.85Å; L216-L232 HydrophobicContact CD1-CD1 4.3Å; L216-L232 HydrophobicContact CD2-CD1 4.21Å; L216-L232 HydrophobicContact CG-CD1 4.35Å; W228-L232 PolarHBondContact O-N 3.22Å; H229-L232 PolarHBondContact O-N 3.11Å; L232-A234 VanDerWaalsContact C-N 3.34Å; L232-A234 PolarHBondContact O-N 2.92Å; L232-L235 PolarHBondContact O-N 3.39Å; L232-S236 WeakPolarHBondContact O-CB 3.45Å; L232-S236 PolarHBondContact O-N 2.99Å; L232-Y243 HydrophobicContact CB-CD1 4.1Å; L232-Y243 HydrophobicContact CB-CD2 3.89Å; L232-Y243 HydrophobicContact CB-CE1 4.39Å; L232-Y243 HydrophobicContact CB-CE2 4.21Å; L232-Y243 HydrophobicContact CB-CG 3.86Å; L232-Y243 HydrophobicContact CD1-CD2 3.71Å; L232-Y243 HydrophobicContact CD1-CE2 3.67Å; L232-Y243 HydrophobicContact CG-CD2 4.28Å |
| 233 | K | 91.6 | Very high | 90.1 | Very high | 36 Ų | 36 | 36.6 Ų | 36.6 | 16% | 0.157 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 175.2 | -170.7 | 174.4 | -178.7 | 173.8 | 0 | 110.8 | D58 Y201 H229 S236 D237 | D58-K233 IonicContact OD1-NZ 3.68Å; D58-K233 PolarHBondContact OD1-NZ 3.12Å; D58-K233 IonicContact OD2-NZ 2.72Å; D58-K233 PolarHBondContact OD2-NZ 3.27Å; Y201-K233 HydrophobicContact CD1-CG 4.47Å; Y201-K233 HydrophobicContact CE1-CG 3.94Å; H229-K233 VanDerWaalsContact O-CB 3.24Å; H229-K233 WeakPolarHBondContact O-CB 3.41Å; H229-K233 PolarHBondContact O-N 2.64Å; K233-S236 PolarHBondContact O-N 3.21Å; K233-D237 PolarHBondContact O-N 2.93Å |
| 234 | A | 91.7 | Very high | 90.3 | Very high | 49 Ų | 49 | 32.5 Ų | 32.5 | 41% | 0.405 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R230 S231 L232 S236 D237 D238 | R230-A234 WeakPolarHBondContact O-CB 3.29Å; R230-A234 PolarHBondContact O-N 2.98Å; S231-A234 PolarHBondContact O-N 3.46Å; L232-A234 VanDerWaalsContact C-N 3.34Å; L232-A234 PolarHBondContact O-N 2.92Å; A234-S236 VanDerWaalsContact C-N 3.28Å; A234-S236 PolarHBondContact O-N 3.3Å; A234-D237 PolarHBondContact O-N 3.23Å; A234-D238 PolarHBondContact O-N 3.43Å |
| 235 | L | 90.5 | Very high | 90.5 | Very high | 22 Ų | 22 | 29 Ų | 29 | 12% | 0.115 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.1 | -34.6 | 176 | -68.3 | 171.9 | 0 | 0 | 0 | 112.3 | L178 K179 I182 S231 L232 D238 G239 L240 | L178-L235 HydrophobicContact CD2-CD1 4.03Å; L178-L235 HydrophobicContact CG-CD1 4.24Å; K179-L235 HydrophobicContact CD-CD2 4.36Å; K179-L235 HydrophobicContact CG-CD2 4.31Å; I182-L235 HydrophobicContact CD1-CD1 3.86Å; S231-L235 VanDerWaalsContact O-CG 3.32Å; S231-L235 WeakPolarHBondContact O-CG 3.38Å; S231-L235 PolarHBondContact O-N 3.3Å; L232-L235 PolarHBondContact O-N 3.39Å; L235-D238 PolarHBondContact O-N 3.04Å; L235-G239 PolarHBondContact O-N 3.06Å; L235-L240 HydrophobicContact CD2-CD1 3.71Å; L235-L240 WeakPolarHBondContact O-CB 3.39Å; L235-L240 PolarHBondContact O-N 2.69Å |
| 236 | S | 89 | Confident | 90.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71.1 | -41.9 | 174.3 | -164.2 | 0 | 0 | 0 | 0 | 112.2 | Y201 S203 L232 K233 A234 D238 G239 C241 | Y201-S236 PolarHBondContact O-OG 3.1Å; S203-S236 WeakPolarHBondContact CB-O 3.35Å; S203-S236 PolarHBondContact OG-O 3.47Å; L232-S236 WeakPolarHBondContact O-CB 3.45Å; L232-S236 PolarHBondContact O-N 2.99Å; K233-S236 PolarHBondContact O-N 3.21Å; A234-S236 VanDerWaalsContact C-N 3.28Å; A234-S236 PolarHBondContact O-N 3.3Å; S236-D238 PolarHBondContact O-N 3.04Å; S236-G239 WeakPolarHBondContact O-CA 3.36Å; S236-G239 PolarHBondContact O-N 3.22Å; S236-C241 VanDerWaalsContact CA-O 3.3Å; S236-C241 WeakPolarHBondContact CA-O 3.24Å; S236-C241 VanDerWaalsContact CB-O 3.29Å; S236-C241 WeakPolarHBondContact CB-O 3.36Å; S236-C241 PolarHBondContact OG-O 2.76Å |
| 237 | D | 87.5 | Confident | 90.5 | Very high | 52 Ų | 52 | 29.4 Ų | 29.4 | 28% | 0.278 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.2 | -29.6 | 173.3 | -72.2 | -31.1 | 0 | 0 | 0 | 112.7 | Y201 K205 K233 A234 G239 | Y201-D237 WeakPolarHBondContact CE1-OD1 3.24Å; Y201-D237 PolarHBondContact OH-OD1 3.4Å; Y201-D237 VanDerWaalsContact OH-OD1 3.06Å; K205-D237 WeakPolarHBondContact CE-O 3.29Å; K205-D237 PolarHBondContact NZ-O 3.49Å; K233-D237 PolarHBondContact O-N 2.93Å; A234-D237 PolarHBondContact O-N 3.23Å; D237-G239 VanDerWaalsContact C-N 3.28Å |
| 238 | D | 85.8 | Confident | 90.6 | Very high | 105 Ų | 105 | 27.8 Ų | 27.8 | 56% | 0.561 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -8.7 | 172.5 | -76.2 | -17.3 | 0 | 0 | 0 | 113.8 | K205 A234 L235 S236 L240 | K205-D238 IonicContact NZ-OD1 3.54Å; A234-D238 PolarHBondContact O-N 3.43Å; L235-D238 PolarHBondContact O-N 3.04Å; S236-D238 PolarHBondContact O-N 3.04Å; D238-L240 HydrophobicContact CB-CD1 4.37Å; D238-L240 HydrophobicContact CB-CG 4.37Å |
| 239 | G | 82.1 | Confident | 90.4 | Very high | 23 Ų | 23 | 27.9 Ų | 27.9 | 24% | 0.237 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 22 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L235 S236 D237 | L235-G239 PolarHBondContact O-N 3.06Å; S236-G239 WeakPolarHBondContact O-CA 3.36Å; S236-G239 PolarHBondContact O-N 3.22Å; D237-G239 VanDerWaalsContact C-N 3.28Å |
| 240 | L | 84.9 | Confident | 90 | Very high | 63 Ų | 63 | 29.2 Ų | 29.2 | 33% | 0.33 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -90.7 | -28.1 | -177.6 | -64.3 | 172.3 | 0 | 0 | 0 | 113.5 | P212 L235 D238 | P212-L240 WeakPolarHBondContact CG-O 3.42Å; L235-L240 HydrophobicContact CD2-CD1 3.71Å; L235-L240 WeakPolarHBondContact O-CB 3.39Å; L235-L240 PolarHBondContact O-N 2.69Å; D238-L240 HydrophobicContact CB-CD1 4.37Å; D238-L240 HydrophobicContact CB-CG 4.37Å |
| 241 | C | 86.5 | Confident | 89.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -152.3 | 155.1 | 179.1 | 62.3 | 0 | 0 | 0 | 0 | 112.9 | I182 P212 V214 S236 | I182-C241 HydrophobicContact CD1-CB 4.45Å; I182-C241 HydrophobicContact CG2-CB 4.01Å; P212-C241 CarbonylContact O-C 3.48Å; P212-C241 VanDerWaalsContact O-CA 3.24Å; P212-C241 WeakPolarHBondContact O-CA 3.39Å; P212-C241 WeakPolarHBondContact O-CB 3.42Å; V214-C241 HydrophobicContact CB-CB 4.47Å; V214-C241 HydrophobicContact CG2-CB 3.7Å; S236-C241 VanDerWaalsContact CA-O 3.3Å; S236-C241 WeakPolarHBondContact CA-O 3.24Å; S236-C241 VanDerWaalsContact CB-O 3.29Å; S236-C241 WeakPolarHBondContact CB-O 3.36Å; S236-C241 PolarHBondContact OG-O 2.76Å | ||
| 242 | N | 86.2 | Confident | 88.5 | Confident | 20 Ų | 20 | 28 Ų | 28 | 11% | 0.107 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 129.9 | 160.3 | -73.8 | -44 | 0 | 0 | 0 | 109 | V200 P212 T213 V214 | V200-N242 HydrophobicContact CG1-CB 4.32Å; P212-N242 PolarHBondContact O-N 2.72Å; T213-N242 CarbonylContact C-O 3.53Å; T213-N242 WeakPolarHBondContact CA-O 3.18Å; V214-N242 PolarHBondContact N-O 2.85Å |
| 243 | Y | 90.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 118.3 | -173 | 163.1 | -135.4 | 0 | 0 | 0 | 111.2 | W54 V200 Y201 L216 H229 L232 | W54-Y243 HydrophobicContact CE3-CE1 4.21Å; W54-Y243 AromaticContact CH2-CD1 3.82Å; W54-Y243 HydrophobicContact CH2-CD1 3.82Å; W54-Y243 AromaticContact CH2-CE1 3.38Å; W54-Y243 HydrophobicContact CH2-CE1 3.38Å; W54-Y243 HydrophobicContact CH2-CE2 4.41Å; W54-Y243 HydrophobicContact CH2-CG 4.49Å; W54-Y243 AromaticContact CH2-CZ 3.72Å; W54-Y243 HydrophobicContact CZ2-CE1 4.49Å; W54-Y243 HydrophobicContact CZ3-CD1 4Å; W54-Y243 AromaticContact CZ3-CE1 3.22Å; W54-Y243 HydrophobicContact CZ3-CE1 3.22Å; W54-Y243 AromaticContact CZ3-CZ 3.69Å; V200-Y243 CarbonylContact C-O 3.56Å; V200-Y243 WeakPolarHBondContact CA-O 3.47Å; Y201-Y243 PolarHBondContact N-O 3.16Å; Y201-Y243 PolarHBondContact O-N 2.62Å; L216-Y243 HydrophobicContact CB-CD2 4.49Å; L216-Y243 HydrophobicContact CB-CE2 3.57Å; L216-Y243 HydrophobicContact CD2-CE2 4.15Å; L216-Y243 WeakPolarHBondContact CD2-OH 3.37Å; H229-Y243 AromaticContact CE1-CE1 3.84Å; H229-Y243 AromaticContact ND1-CE1 3.32Å; H229-Y243 VanDerWaalsContact ND1-CE1 3.32Å; H229-Y243 WeakPolarHBondContact ND1-CE1 3.36Å; H229-Y243 AromaticContact ND1-CZ 3.73Å; H229-Y243 PolarHBondContact ND1-OH 3.16Å; L232-Y243 HydrophobicContact CB-CD1 4.1Å; L232-Y243 HydrophobicContact CB-CD2 3.89Å; L232-Y243 HydrophobicContact CB-CE1 4.39Å; L232-Y243 HydrophobicContact CB-CE2 4.21Å; L232-Y243 HydrophobicContact CB-CG 3.86Å; L232-Y243 HydrophobicContact CD1-CD2 3.71Å; L232-Y243 HydrophobicContact CD1-CE2 3.67Å; L232-Y243 HydrophobicContact CG-CD2 4.28Å |
| 244 | A | 91.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 152.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L194 K199 V200 V214 I215 L216 | L194-A244 HydrophobicContact CD2-CB 4.34Å; K199-A244 VanDerWaalsContact O-CA 3.26Å; K199-A244 WeakPolarHBondContact O-CA 3.44Å; V200-A244 HydrophobicContact CG2-CB 4.29Å; V214-A244 PolarHBondContact O-N 3.46Å; I215-A244 CarbonylContact C-O 3.54Å; I215-A244 WeakPolarHBondContact CA-O 3.41Å; I215-A244 HydrophobicContact CG1-CB 4.22Å; L216-A244 PolarHBondContact N-O 3.49Å |
| 245 | F | 94.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 137.5 | 178.9 | 170.6 | -100.3 | 0 | 0 | 0 | 112.9 | F53 W54 K199 L220 F225 H247 | F53-F245 HydrophobicContact CE1-CB 4.38Å; F53-F245 HydrophobicContact CE1-CD1 4.18Å; F53-F245 HydrophobicContact CE2-CD1 4.23Å; F53-F245 HydrophobicContact CE2-CE1 4.44Å; F53-F245 HydrophobicContact CZ-CB 4.4Å; F53-F245 AromaticContact CZ-CD1 3.4Å; F53-F245 HydrophobicContact CZ-CD1 3.4Å; F53-F245 AromaticContact CZ-CE1 3.93Å; F53-F245 HydrophobicContact CZ-CE1 3.93Å; F53-F245 HydrophobicContact CZ-CG 4.1Å; W54-F245 HydrophobicContact CH2-CB 4.07Å; K199-F245 HydrophobicContact CD-CD1 4.49Å; K199-F245 PolarHBondContact O-N 3.41Å; L220-F245 HydrophobicContact CD2-CE1 4.13Å; L220-F245 HydrophobicContact CD2-CE2 3.95Å; L220-F245 HydrophobicContact CD2-CZ 3.5Å; L220-F245 VanDerWaalsContact CD2-CZ 3.5Å; L220-F245 HydrophobicContact CG-CZ 4.01Å; F225-F245 HydrophobicContact CD2-CE2 4.29Å; F225-F245 AromaticContact CE2-CD2 3.61Å; F225-F245 HydrophobicContact CE2-CD2 3.61Å; F225-F245 AromaticContact CE2-CE2 3.3Å; F225-F245 HydrophobicContact CE2-CE2 3.3Å; F225-F245 HydrophobicContact CE2-CZ 4.33Å; F225-F245 AromaticContact CZ-CD2 3.84Å; F225-F245 HydrophobicContact CZ-CD2 3.84Å; F225-F245 AromaticContact CZ-CE2 3.64Å; F225-F245 HydrophobicContact CZ-CE2 3.64Å; F225-F245 HydrophobicContact CZ-CZ 4.39Å; F245-H247 AromaticContact CE1-CE1 3.59Å; F245-H247 AromaticContact CE1-ND1 3.79Å; F245-H247 AromaticContact CE1-NE2 3.79Å; F245-H247 AromaticContact CZ-CE1 3.83Å; F245-H247 AromaticContact CZ-ND1 3.64Å |
| 246 | R | 93.5 | Very high | 83.6 | Confident | 10 Ų | 10 | 39 Ų | 39 | 4% | 0.038 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 145.4 | 172.9 | -72.5 | -177.5 | -173 | 176.4 | 1.2 | 110.3 | S132 D139 T193 E198 I215 L216 Y217 G218 | S132-R246 VanDerWaalsContact OG-CA 3.27Å; S132-R246 WeakPolarHBondContact OG-CA 3.25Å; S132-R246 VanDerWaalsContact OG-CB 3.23Å; S132-R246 WeakPolarHBondContact OG-CB 3.37Å; D139-R246 IonicContact OD2-NH1 3.66Å; D139-R246 PolarHBondContact OD2-NH1 3.14Å; T193-R246 PolarHBondContact O-NH2 3.34Å; E198-R246 IonicContact OE1-CZ 3.98Å; E198-R246 IonicContact OE1-NE 3.34Å; E198-R246 PolarHBondContact OE1-NE 2.99Å; E198-R246 IonicContact OE1-NH2 3.35Å; E198-R246 PolarHBondContact OE1-NH2 3Å; E198-R246 IonicContact OE2-NH2 3.04Å; I215-R246 HydrophobicContact CG2-CB 4.19Å; I215-R246 HydrophobicContact CG2-CG 3.87Å; L216-R246 PolarHBondContact O-N 3.3Å; Y217-R246 VanDerWaalsContact CA-O 3.31Å; Y217-R246 WeakPolarHBondContact CA-O 3.23Å; Y217-R246 HydrophobicContact CD1-CB 3.45Å; Y217-R246 VanDerWaalsContact CD1-CB 3.45Å; Y217-R246 HydrophobicContact CE1-CB 3.3Å; Y217-R246 HydrophobicContact CE1-CG 3.96Å; Y217-R246 HydrophobicContact CG-CB 4.43Å; Y217-R246 VanDerWaalsContact OH-CD 3.27Å; Y217-R246 WeakPolarHBondContact OH-CD 3.33Å; Y217-R246 PolarHBondContact OH-NH1 3.1Å; G218-R246 PolarHBondContact N-O 3.3Å; G218-R246 VanDerWaalsContact N-O 3.16Å |
| 247 | H | 94.4 | Very high | 83 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 139.6 | 179.7 | -71.5 | -74.2 | 0 | 0 | 0 | 112.2 | S39 S42 E43 V129 S132 H133 F245 F249 | S39-H247 VanDerWaalsContact CB-CE1 3.48Å; S39-H247 WeakPolarHBondContact CB-CE1 3.4Å; S42-H247 PolarHBondContact OG-CE1 2.82Å; S42-H247 VanDerWaalsContact OG-CE1 3.29Å; S42-H247 PolarHBondContact OG-NE2 3.14Å; E43-H247 IonicContact OE1-CD2 4Å; E43-H247 PolarHBondContact OE1-CD2 3.14Å; E43-H247 IonicContact OE1-NE2 2.91Å; E43-H247 PolarHBondContact OE1-NE2 3.48Å; V129-H247 HydrophobicContact CG1-CB 4.37Å; S132-H247 CarbonylContact C-O 3.54Å; S132-H247 PolarHBondContact OG-N 3.21Å; H133-H247 WeakPolarHBondContact CA-O 3.45Å; H133-H247 PolarHBondContact N-O 3.47Å; F245-H247 AromaticContact CE1-CE1 3.59Å; F245-H247 AromaticContact CE1-ND1 3.79Å; F245-H247 AromaticContact CE1-NE2 3.79Å; F245-H247 AromaticContact CZ-CE1 3.83Å; F245-H247 AromaticContact CZ-ND1 3.64Å; H247-F249 HydrophobicContact CB-CE2 3.96Å; H247-F249 HydrophobicContact CB-CZ 4Å |
| 248 | Y | 93.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -145 | 138.8 | 170.8 | 169.3 | -102.5 | 0 | 0 | 0 | 110.4 | H133 A136 L137 L155 W164 G218 D219 Q250 | H133-Y248 AromaticContact ND1-CD2 3.91Å; A136-Y248 HydrophobicContact CB-CD2 3.86Å; A136-Y248 HydrophobicContact CB-CG 4.43Å; L137-Y248 HydrophobicContact CD2-CE2 4.04Å; L155-Y248 HydrophobicContact CD1-CE2 3.75Å; L155-Y248 WeakPolarHBondContact CD1-OH 3.37Å; W164-Y248 AromaticContact NE1-CG 3.93Å; G218-Y248 CarbonylContact C-O 3.52Å; G218-Y248 VanDerWaalsContact C-O 3.29Å; G218-Y248 PolarHBondContact O-N 3.44Å; G218-Y248 VanDerWaalsContact O-N 3.15Å; D219-Y248 WeakPolarHBondContact CB-O 3.15Å; D219-Y248 PolarHBondContact N-O 2.9Å; Y248-Q250 HydrophobicContact CE1-CB 4.49Å; Y248-Q250 PolarHBondContact OH-OE1 2.92Å | ||
| 249 | F | 90.4 | Very high | 83.2 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | trans | -134.8 | 125.6 | 179.8 | -48.4 | -78.6 | 0 | 0 | 0 | 110 | P36 S39 V129 H133 D219 H247 R252 | P36-F249 HydrophobicContact CG-CD1 4.22Å; P36-F249 HydrophobicContact CG-CE1 3.77Å; P36-F249 HydrophobicContact CG-CZ 4.12Å; S39-F249 WeakPolarHBondContact OG-CZ 3.42Å; V129-F249 HydrophobicContact CG1-CE2 3.58Å; V129-F249 HydrophobicContact CG1-CZ 3.82Å; H133-F249 HydrophobicContact CB-CD2 4.38Å; H133-F249 PolarHBondContact CE1-O 3.32Å; H133-F249 PolarHBondContact ND1-N 3.49Å; D219-F249 HydrophobicContact CB-CD1 4.17Å; H247-F249 HydrophobicContact CB-CE2 3.96Å; H247-F249 HydrophobicContact CB-CZ 4Å; F249-R252 HydrophobicContact CB-CG 3.66Å; F249-R252 HydrophobicContact CG-CG 4.28Å | ||
| 250 | Q | 84.9 | Confident | 83.7 | Confident | 31 Ų | 31 | 32.2 Ų | 32.2 | 15% | 0.145 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -79.2 | -43.7 | 175.1 | -177.3 | 70.4 | 60.1 | 0 | 0 | 112.4 | L152 G161 Y248 | L152-Q250 PolarHBondContact O-NE2 3.34Å; G161-Q250 WeakPolarHBondContact O-CB 3.24Å; Y248-Q250 HydrophobicContact CE1-CB 4.49Å; Y248-Q250 PolarHBondContact OH-OE1 2.92Å |
| 251 | N | 79.9 | Confident | 84 | Confident | 129 Ų | 129 | 29.2 Ų | 29.2 | 69% | 0.69 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -119.5 | 130 | 179.6 | -61.9 | -39.4 | 0 | 0 | 0 | 108.7 | ||
| 252 | R | 77 | Confident | 84.4 | Confident | 45 Ų | 45 | 29.2 Ų | 29.2 | 17% | 0.17 | 17% | 0.166 | C | C | . | . | trans | -130.5 | 147.2 | 176.2 | -68 | -167.1 | -78.7 | 163.4 | -11.5 | 109.4 | K33 E130 H133 F249 L254 | K33-R252 HydrophobicContact CB-CB 4.12Å; K33-R252 HydrophobicContact CD-CB 3.82Å; K33-R252 PolarHBondContact O-NH1 3.5Å; E130-R252 IonicContact OE1-CZ 2.78Å; E130-R252 IonicContact OE1-NH1 2.64Å; E130-R252 IonicContact OE1-NH2 3.38Å; E130-R252 PolarHBondContact OE1-NH2 2.99Å; E130-R252 IonicContact OE2-CZ 2.76Å; E130-R252 IonicContact OE2-NH1 3.99Å; E130-R252 PolarHBondContact OE2-NH1 3.01Å; E130-R252 IonicContact OE2-NH2 3.82Å; E130-R252 PolarHBondContact OE2-NH2 3.37Å; H133-R252 PolarHBondContact CD2-NH2 3.22Å; H133-R252 PolarHBondContact NE2-NH2 2.92Å; F249-R252 HydrophobicContact CB-CG 3.66Å; F249-R252 HydrophobicContact CG-CG 4.28Å; R252-L254 PolarHBondContact O-N 3.2Å | ||
| 253 | D | 70.4 | Confident | 84.8 | Confident | 96 Ų | 96 | 28.2 Ų | 28.2 | 51% | 0.513 | 16% | 0.161 | S | C | . | . | trans | -56.8 | 138.3 | 172.4 | -168.4 | -1.1 | 0 | 0 | 0 | 109.8 | S255 | D253-S255 VanDerWaalsContact C-N 3.3Å; D253-S255 PolarHBondContact OD1-N 2.81Å; D253-S255 VanDerWaalsContact OD1-N 3.09Å; D253-S255 PolarHBondContact OD1-OG 3.3Å; D253-S255 PolarHBondContact OD2-OG 2.63Å | ||
| 254 | L | 63.1 | Low | 85.1 | Confident | 141 Ų | 141 | 28.2 Ų | 28.2 | 74% | 0.738 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -80.5 | -16.2 | 178.4 | -69.5 | 167.5 | 0 | 0 | 0 | 111.4 | R252 G256 | R252-L254 PolarHBondContact O-N 3.2Å; L254-G256 PolarHBondContact O-N 3.41Å |
| 255 | S | 65.3 | Low | 85.2 | Confident | 61 Ų | 61 | 29.8 Ų | 29.8 | 43% | 0.427 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -64.5 | 124.8 | 175.2 | 73.9 | 0 | 0 | 0 | 0 | 110.6 | N34 D253 | N34-S255 WeakPolarHBondContact CB-O 3.34Å; D253-S255 VanDerWaalsContact C-N 3.3Å; D253-S255 PolarHBondContact OD1-N 2.81Å; D253-S255 VanDerWaalsContact OD1-N 3.09Å; D253-S255 PolarHBondContact OD1-OG 3.3Å; D253-S255 PolarHBondContact OD2-OG 2.63Å |
| 256 | G | 64 | Low | 85.2 | Confident | 39 Ų | 39 | 29.8 Ų | 29.8 | 40% | 0.402 | 17% | 0.168 | S | C | . | . | P | Polyproline II helix | trans | -72.7 | 133.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L254 | L254-G256 PolarHBondContact O-N 3.41Š|
| 257 | T | 76.6 | Confident | 85 | Confident | 15 Ų | 15 | 30.7 Ų | 30.7 | 9% | 0.092 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 137.4 | 175.7 | -44.5 | 0 | 0 | 0 | 0 | 110.1 | V29 P30 N34 R123 | V29-T257 WeakPolarHBondContact CA-O 3.5Å; P30-T257 WeakPolarHBondContact CD-O 3.04Å; N34-T257 VanDerWaalsContact CA-OG1 3.25Å; N34-T257 WeakPolarHBondContact CA-OG1 3.44Å; N34-T257 VanDerWaalsContact CB-OG1 3.29Å; N34-T257 WeakPolarHBondContact CB-OG1 3.34Å; N34-T257 VanDerWaalsContact CG-OG1 3.24Å; N34-T257 PolarHBondContact OD1-OG1 2.9Å; R123-T257 HydrophobicContact CG-CG2 4.28Å |
| 258 | S | 85.7 | Confident | 84.7 | Confident | 20 Ų | 20 | 32.6 Ų | 32.6 | 14% | 0.14 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -79.7 | 136.4 | 170.4 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | T27 L28 V1201 | T27-S258 WeakPolarHBondContact CG2-OG 3.35Å; L28-S258 CarbonylContact O-C 2.95Å; L28-S258 VanDerWaalsContact O-CA 3.31Å; L28-S258 WeakPolarHBondContact O-CA 3.34Å; S258-V1201 VanDerWaalsContact CB-CG1 3.42Å; S258-V1201 WeakPolarHBondContact OG-CG1 3.43Å |
| 259 | L | 91.5 | Very high | 83.9 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -91.5 | 162.5 | -174.6 | -60.6 | -176.9 | 0 | 0 | 0 | 111.8 | L28 P30 Y262 P1202 W1225 L1257 F1348 | L28-L259 HydrophobicContact CD2-CD1 4.48Å; L28-L259 HydrophobicContact CG-CB 4.43Å; L28-L259 HydrophobicContact CG-CD1 4.3Å; L28-L259 PolarHBondContact O-N 3.16Å; P30-L259 HydrophobicContact CB-CD1 4.1Å; P30-L259 HydrophobicContact CB-CD2 4.33Å; P30-L259 HydrophobicContact CG-CD2 4.02Å; P30-L259 HydrophobicContact CG-CG 4.4Å; L259-Y262 WeakPolarHBondContact O-CE1 3.18Å; L259-P1202 WeakPolarHBondContact O-CB 3.29Å; L259-W1225 HydrophobicContact CB-CH2 4.5Å; L259-W1225 HydrophobicContact CD1-CH2 4.14Å; L259-W1225 HydrophobicContact CD1-CZ3 4.11Å; L259-L1257 HydrophobicContact CD1-CB 3.95Å; L259-L1257 HydrophobicContact CD1-CD2 3.69Å; L259-L1257 HydrophobicContact CD1-CG 4.48Å; L259-F1348 HydrophobicContact CD1-CE1 4.29Å; L259-F1348 HydrophobicContact CD1-CZ 4.47Å; L259-F1348 HydrophobicContact CD2-CE1 4.47Å; L259-F1348 HydrophobicContact CD2-CZ 3.86Å |
| 260 | N | 92.5 | Very high | 82.4 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | trans | -113.9 | 170.9 | 170.2 | -69 | -85.7 | 0 | 0 | 0 | 110.1 | S121 I438 E1184 P1202 | S121-N260 PolarHBondContact O-ND2 3.18Å; N260-I438 HydrophobicContact CB-CD1 4.43Å; N260-E1184 PolarHBondContact OD1-N 3.23Å; N260-P1202 WeakPolarHBondContact OD1-CB 3.2Å | ||
| 261 | G | 91.5 | Very high | 80.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 94.5 | 14.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | V1182 | G261-V1182 PolarHBondContact N-O 3.09Š|
| 262 | Y | 94.6 | Very high | 78.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 154.5 | 176.7 | 69.7 | -83 | 0 | 0 | 0 | 111.2 | V26 T27 L28 L259 V264 F1181 V1182 M1219 | V26-Y262 PolarHBondContact O-OH 3.06Å; T27-Y262 WeakPolarHBondContact CA-OH 3.38Å; L28-Y262 HydrophobicContact CB-CD1 3.9Å; L28-Y262 HydrophobicContact CB-CD2 4.48Å; L28-Y262 HydrophobicContact CB-CE1 3.44Å; L28-Y262 VanDerWaalsContact CB-CE1 3.44Å; L28-Y262 HydrophobicContact CB-CE2 4.08Å; L28-Y262 HydrophobicContact CB-CG 4.4Å; L28-Y262 HydrophobicContact CD2-CD1 3.59Å; L28-Y262 HydrophobicContact CD2-CD2 4.42Å; L28-Y262 HydrophobicContact CD2-CE1 4.05Å; L28-Y262 HydrophobicContact CD2-CG 3.79Å; L28-Y262 HydrophobicContact CG-CD1 4.38Å; L28-Y262 HydrophobicContact CG-CE1 4.36Å; L28-Y262 PolarHBondContact N-OH 3.15Å; L28-Y262 VanDerWaalsContact N-OH 3.15Å; L259-Y262 WeakPolarHBondContact O-CE1 3.18Å; Y262-V264 HydrophobicContact CD2-CG2 3.87Å; Y262-V264 HydrophobicContact CE2-CG2 3.59Å; Y262-F1181 WeakPolarHBondContact O-CD2 3.49Å; Y262-V1182 HydrophobicContact CD1-CB 4.2Å; Y262-V1182 HydrophobicContact CD2-CG2 4.33Å; Y262-V1182 HydrophobicContact CE1-CB 3.82Å; Y262-V1182 HydrophobicContact CE1-CG1 3.88Å; Y262-V1182 HydrophobicContact CE1-CG2 4.14Å; Y262-V1182 HydrophobicContact CE2-CB 4.29Å; Y262-V1182 HydrophobicContact CE2-CG2 3.77Å; Y262-V1182 PolarHBondContact O-N 3.4Å; Y262-M1219 HydrophobicContact CD2-CE 3.47Å; Y262-M1219 VanDerWaalsContact CD2-CE 3.47Å; Y262-M1219 HydrophobicContact CE2-CE 3.76Å; Y262-M1219 HydrophobicContact CG-CE 4.29Å |
| 263 | G | 95 | Very high | 76.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 158.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1179 R1180 D1220 | G263-Y1179 WeakPolarHBondContact CA-OH 3.01Å; G263-R1180 CarbonylContact C-O 3.57Å; G263-R1180 WeakPolarHBondContact CA-O 3.29Å; G263-D1220 PolarHBondContact N-O 3.4Å; G263-D1220 PolarHBondContact O-N 3.07Å |
| 264 | V | 96.3 | Very high | 74.5 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.1 | 170 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | V26 Y262 Y1179 R1180 A1204 F1206 L1217 M1219 | V26-V264 HydrophobicContact CB-CG1 4.27Å; V26-V264 HydrophobicContact CB-CG2 4.1Å; V26-V264 HydrophobicContact CG1-CG1 4.41Å; V26-V264 HydrophobicContact CG1-CG2 3.99Å; V26-V264 HydrophobicContact CG2-CG1 3.97Å; Y262-V264 HydrophobicContact CD2-CG2 3.87Å; Y262-V264 HydrophobicContact CE2-CG2 3.59Å; V264-Y1179 CarbonylContact O-C 3.52Å; V264-Y1179 WeakPolarHBondContact O-CA 3.38Å; V264-Y1179 WeakPolarHBondContact O-CD2 3.08Å; V264-R1180 PolarHBondContact N-O 3.21Å; V264-R1180 PolarHBondContact O-N 3.17Å; V264-A1204 HydrophobicContact CB-CB 3.66Å; V264-A1204 HydrophobicContact CG1-CB 4.4Å; V264-A1204 HydrophobicContact CG2-CB 3.44Å; V264-A1204 VanDerWaalsContact CG2-CB 3.44Å; V264-F1206 HydrophobicContact CB-CE2 4.08Å; V264-F1206 HydrophobicContact CB-CZ 4.04Å; V264-F1206 HydrophobicContact CG1-CE2 3.76Å; V264-F1206 HydrophobicContact CG1-CZ 3.89Å; V264-F1206 WeakPolarHBondContact O-CZ 3.41Å; V264-L1217 HydrophobicContact CG1-CG 4.24Å; V264-M1219 HydrophobicContact CG2-CE 4.43Å; V264-M1219 HydrophobicContact CG2-SD 3.88Å |
| 265 | E | 94.5 | Very high | 72.9 | Confident | 32 Ų | 32 | 55.4 Ų | 55.4 | 15% | 0.15 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 140.1 | 174.1 | 64.3 | 177.1 | -160.3 | 0 | 0 | 111.3 | R1140 F1178 Y1179 L1217 G1218 | E265-R1140 IonicContact OE1-NH2 3.99Å; E265-R1140 IonicContact OE2-CZ 3.7Å; E265-R1140 IonicContact OE2-NH2 3.94Å; E265-R1140 PolarHBondContact OE2-NH2 3.49Å; E265-F1178 CarbonylContact C-O 3.57Å; E265-F1178 VanDerWaalsContact CA-O 3.28Å; E265-F1178 WeakPolarHBondContact CA-O 3.41Å; E265-Y1179 HydrophobicContact CB-CD2 4.17Å; E265-L1217 WeakPolarHBondContact O-CA 3.06Å; E265-G1218 PolarHBondContact N-O 2.98Å; E265-G1218 PolarHBondContact O-N 3.45Å |
| 266 | L | 93.7 | Very high | 71.2 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 93.8 | 165.1 | -64.3 | 173.1 | 0 | 0 | 0 | 107 | V24 S1177 F1178 F1206 L1209 L1215 T1216 L1217 L1239 | V24-L266 HydrophobicContact CB-CD1 4.2Å; V24-L266 HydrophobicContact CG1-CD1 4.39Å; V24-L266 HydrophobicContact CG2-CD1 4.13Å; L266-S1177 WeakPolarHBondContact O-CA 3.41Å; L266-F1178 HydrophobicContact CB-CB 4.26Å; L266-F1178 PolarHBondContact N-O 3.1Å; L266-F1178 PolarHBondContact O-N 3.28Å; L266-F1206 HydrophobicContact CD1-CB 4.27Å; L266-F1206 HydrophobicContact CD1-CD1 3.73Å; L266-F1206 HydrophobicContact CD1-CD2 3.99Å; L266-F1206 HydrophobicContact CD1-CE1 3.96Å; L266-F1206 HydrophobicContact CD1-CE2 4.22Å; L266-F1206 HydrophobicContact CD1-CG 3.74Å; L266-F1206 HydrophobicContact CD1-CZ 4.2Å; L266-F1206 HydrophobicContact CG-CD1 4.4Å; L266-F1206 HydrophobicContact CG-CE1 4.11Å; L266-F1206 HydrophobicContact CG-CE2 4.36Å; L266-F1206 HydrophobicContact CG-CZ 4.1Å; L266-L1209 HydrophobicContact CD1-CD1 3.58Å; L266-L1209 HydrophobicContact CD1-CD2 4.11Å; L266-L1215 HydrophobicContact CB-CD1 4.47Å; L266-L1215 HydrophobicContact CD1-CD1 4.46Å; L266-T1216 WeakPolarHBondContact CA-O 3.48Å; L266-L1217 HydrophobicContact CD2-CB 3.87Å; L266-L1217 HydrophobicContact CD2-CD1 4.21Å; L266-L1217 HydrophobicContact CD2-CG 4.11Å; L266-L1239 HydrophobicContact CD2-CD1 4.12Å |
| 267 | A | 90.8 | Very high | 69.5 | Low | 29 Ų | 29 | 65.2 Ų | 65.2 | 24% | 0.24 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 138.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | K269 L1215 T1216 | A267-K269 PolarHBondContact O-N 3.35Å; A267-L1215 CarbonylContact O-C 3.59Å; A267-L1215 WeakPolarHBondContact O-CA 3.37Å; A267-T1216 PolarHBondContact N-O 3.07Å; A267-T1216 PolarHBondContact O-N 3.36Å |
| 268 | L | 87.1 | Confident | 67.3 | Low | 41 Ų | 41 | 72.1 Ų | 72.1 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 117.2 | 171.7 | -70.3 | 164.1 | 0 | 0 | 0 | 109.3 | S270 L334 P386 K1176 F1178 L1215 | L268-S270 PolarHBondContact O-N 3.2Å; L268-L334 HydrophobicContact CD1-CD1 3.62Å; L268-L334 HydrophobicContact CD2-CD1 3.43Å; L268-L334 VanDerWaalsContact CD2-CD1 3.43Å; L268-L334 HydrophobicContact CG-CD1 4.19Å; L268-P386 HydrophobicContact CD1-CB 3.74Å; L268-P386 HydrophobicContact CD1-CG 4.11Å; L268-K1176 WeakPolarHBondContact CB-O 3.31Å; L268-K1176 PolarHBondContact N-O 3.18Å; L268-F1178 HydrophobicContact CD2-CE2 4.46Å; L268-L1215 HydrophobicContact CD2-CD2 3.62Å; L268-L1215 HydrophobicContact CG-CD2 4.27Å |
| 269 | K | 77.6 | Confident | 64.6 | Low | 89 Ų | 89 | 77.1 Ų | 77.1 | 39% | 0.387 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 126.1 | 173.7 | -156.4 | 175.1 | -166.7 | 160.6 | 0 | 108.2 | A267 T271 L1214 N1238 | A267-K269 PolarHBondContact O-N 3.35Å; K269-T271 PolarHBondContact O-N 2.85Å; K269-L1214 HydrophobicContact CB-CB 4.48Å; K269-L1214 HydrophobicContact CB-CD2 3.78Å; K269-L1214 HydrophobicContact CD-CD2 3.28Å; K269-L1214 HydrophobicContact CG-CD2 4.15Å; K269-L1214 PolarHBondContact N-O 3.22Å; K269-N1238 PolarHBondContact NZ-OD1 3.4Å |
| 270 | S | 59.4 | Low | 61.6 | Low | 101 Ų | 101 | 85.9 Ų | 85.9 | 71% | 0.706 | 45% | 0.447 | S | S | * | . | trans | -67.8 | 96 | -178.7 | -37.5 | 0 | 0 | 0 | 0 | 109.6 | L268 E272 | L268-S270 PolarHBondContact O-N 3.2Å; S270-E272 VanDerWaalsContact C-N 3.32Å | ||
| 271 | T | 43.3 | Very low | 58.5 | Low | 109 Ų | 109 | 91 Ų | 91 | 67% | 0.669 | 48% | 0.483 | S | S | * | . | trans | -86.7 | 1.5 | 179.8 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | K269 L1214 | K269-T271 PolarHBondContact O-N 2.85Å; T271-L1214 HydrophobicContact CG2-CB 4.23Å | ||
| 272 | E | 36.7 | Very low | 55.4 | Low | 168 Ų | 168 | 99 Ų | 99 | 79% | 0.785 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -129.9 | 137.4 | -178.2 | -73.3 | -173.3 | 154.7 | 0 | 0 | 113.1 | S270 K274 | S270-E272 VanDerWaalsContact C-N 3.32Å; E272-K274 PolarHBondContact O-N 2.78Å |
| 273 | Y | 31 | Very low | 52 | Low | 198 Ų | 198 | 108 Ų | 108 | 78% | 0.776 | 56% | 0.562 | S | S | * | * | trans | -48.9 | 126 | 174.8 | -73 | -103.5 | 0 | 0 | 0 | 109.5 | A275 | Y273-A275 PolarHBondContact O-N 3.5Š| ||
| 274 | K | 34.9 | Very low | 48.8 | Very low | 175 Ų | 175 | 112.4 Ų | 112.4 | 76% | 0.761 | 59% | 0.593 | S | S | * | * | trans | -51.6 | 100.8 | 153 | -77.5 | 179.8 | 176.1 | 178.6 | 0 | 105.9 | E272 M276 | E272-K274 PolarHBondContact O-N 2.78Å; K274-M276 PolarHBondContact O-N 3.04Å | ||
| 275 | A | 29 | Very low | 45.4 | Very low | 84 Ų | 84 | 119.5 Ų | 119.5 | 69% | 0.694 | 63% | 0.631 | S | S | * | * | trans | -65.3 | 80.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 106 | Y273 D277 | Y273-A275 PolarHBondContact O-N 3.5Å; A275-D277 PolarHBondContact O-N 3.35Å | ||
| 276 | M | 29.5 | Very low | 42.1 | Very low | 176 Ų | 176 | 125 Ų | 125 | 87% | 0.867 | 66% | 0.662 | S | S | * | * | trans | -66.8 | 72.8 | 155.4 | -76.8 | -161.6 | 74.9 | 0 | 0 | 106.6 | K274 | K274-M276 PolarHBondContact O-N 3.04Š| ||
| 277 | D | 28.3 | Very low | 38.8 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | -157.3 | 32.3 | 164.5 | -135.9 | 6.4 | 0 | 0 | 0 | 114.1 | A275 T279 | A275-D277 PolarHBondContact O-N 3.35Å; D277-T279 VanDerWaalsContact C-N 3.33Å | ||
| 278 | D | 29.5 | Very low | 35.7 | Very low | 160 Ų | 160 | 135 Ų | 135 | 86% | 0.856 | 72% | 0.723 | S | S | * | * | trans | -100 | 36.4 | 164.7 | -78.4 | -15.6 | 0 | 0 | 0 | 111.2 | K280 | D278-K280 PolarHBondContact O-N 3.08Å; D278-K280 VanDerWaalsContact O-N 3.08Å | ||
| 279 | T | 29.4 | Very low | 32.8 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 77% | 0.767 | 76% | 0.759 | S | S | * | * | trans | -82.2 | 64.7 | 164.6 | 46 | 0 | 0 | 0 | 0 | 110.8 | D277 | D277-T279 VanDerWaalsContact C-N 3.33Š| ||
| 280 | K | 29.3 | Very low | 30.3 | Very low | 184 Ų | 184 | 146 Ų | 146 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -143 | 79.7 | 152 | -72.7 | -167.1 | -178.4 | 176 | 0 | 108.8 | D278 E282 | D278-K280 PolarHBondContact O-N 3.08Å; D278-K280 VanDerWaalsContact O-N 3.08Å; K280-E282 VanDerWaalsContact C-N 3.27Å; K280-E282 PolarHBondContact O-N 3.14Å | ||
| 281 | S | 27.9 | Very low | 28.7 | Very low | 109 Ų | 109 | 150.5 Ų | 150.5 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -63.8 | 96.9 | 150.6 | 49.9 | 0 | 0 | 0 | 0 | 107 | E283 | S281-E283 VanDerWaalsContact C-N 3.31Å; S281-E283 PolarHBondContact O-N 3.15Å | ||
| 282 | E | 25.3 | Very low | 27.9 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -64.7 | 98.9 | 163.6 | -74.9 | -170.6 | 164.2 | 0 | 0 | 107.9 | K280 S284 | K280-E282 VanDerWaalsContact C-N 3.27Å; K280-E282 PolarHBondContact O-N 3.14Å; E282-S284 PolarHBondContact O-N 2.72Å | ||
| 283 | E | 23.9 | Very low | 27.5 | Very low | 189 Ų | 189 | 151.2 Ų | 151.2 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -64.2 | 100.2 | 154.8 | -71.2 | 179.9 | 156.2 | 0 | 0 | 107.8 | S281 | S281-E283 VanDerWaalsContact C-N 3.31Å; S281-E283 PolarHBondContact O-N 3.15Å | ||
| 284 | S | 26.5 | Very low | 27.4 | Very low | 93 Ų | 93 | 150.1 Ų | 150.1 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | trans | -145.4 | 94.7 | 157 | 68.1 | 0 | 0 | 0 | 0 | 110.6 | E282 | E282-S284 PolarHBondContact O-N 2.72Š| ||
| 285 | D | 25.9 | Very low | 27.2 | Very low | 148 Ų | 148 | 148.2 Ų | 148.2 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | 28 | 127.8 | 138.5 | -70 | -30.1 | 0 | 0 | 0 | 121.2 | ||||
| 286 | N | 24.3 | Very low | 27.7 | Very low | 149 Ų | 149 | 150.3 Ų | 150.3 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 59.1 | 86.4 | 141.8 | -67.9 | -33 | 0 | 0 | 0 | 118.4 | ||||
| 287 | V | 25.3 | Very low | 28.1 | Very low | 142 Ų | 142 | 146 Ų | 146 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | -127.3 | 114 | 146.4 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 288 | S | 25.4 | Very low | 29.1 | Very low | 96 Ų | 96 | 142.9 Ų | 142.9 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | trans | -44.8 | 130.3 | 170.2 | 48.7 | 0 | 0 | 0 | 0 | 113.5 | K290 | S288-K290 PolarHBondContact O-N 3.2Š| ||
| 289 | L | 26 | Very low | 30.2 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 96% | 0.963 | 74% | 0.74 | S | S | * | * | trans | -56.4 | 99.7 | 162.9 | -70.9 | 157.9 | 0 | 0 | 0 | 110 | ||||
| 290 | K | 25.5 | Very low | 31.4 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 77% | 0.774 | 73% | 0.726 | S | S | * | * | trans | -129 | 112.7 | 157.6 | -82.8 | -170.4 | 175.4 | -178.2 | 0 | 108.9 | S288 | S288-K290 PolarHBondContact O-N 3.2Š| ||
| 291 | E | 26.1 | Very low | 32.8 | Very low | 195 Ų | 195 | 128 Ų | 128 | 91% | 0.911 | 69% | 0.689 | S | S | * | * | trans | 19.1 | 102.5 | 150.3 | -67.3 | 172.7 | 162.8 | 0 | 0 | 116.3 | ||||
| 292 | T | 27 | Very low | 34.1 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 71% | 0.712 | 68% | 0.677 | S | S | * | * | trans | -133.3 | 91.3 | 153.3 | 52.8 | 0 | 0 | 0 | 0 | 109.7 | K294 | T292-K294 PolarHBondContact O-N 3.18Š| ||
| 293 | D | 26.9 | Very low | 35.8 | Very low | 175 Ų | 175 | 121 Ų | 121 | 94% | 0.936 | 67% | 0.673 | S | S | * | * | trans | -61.4 | 86.2 | 140.8 | -84 | -29.5 | 0 | 0 | 0 | 107.6 | ||||
| 294 | K | 28.7 | Very low | 38.1 | Very low | 176 Ų | 176 | 116.1 Ų | 116.1 | 77% | 0.765 | 65% | 0.649 | S | S | * | * | trans | -136.8 | 101.4 | 160.7 | -77.3 | -167.5 | 178.5 | 178.3 | 0 | 108.2 | T292 V296 | T292-K294 PolarHBondContact O-N 3.18Å; K294-V296 PolarHBondContact O-N 2.94Å | ||
| 295 | I | 32.4 | Very low | 40.6 | Very low | 135 Ų | 135 | 113.8 Ų | 113.8 | 69% | 0.692 | 63% | 0.629 | S | S | * | * | trans | -45.6 | 120.6 | 164 | -64 | 162.5 | 0 | 0 | 0 | 107.6 | D297 | I295-D297 PolarHBondContact O-N 2.74Š| ||
| 296 | V | 37.9 | Very low | 43.1 | Very low | 127 Ų | 127 | 106.9 Ų | 106.9 | 77% | 0.77 | 59% | 0.592 | S | S | * | * | trans | -72.4 | 84.3 | 163.8 | -179.8 | 0 | 0 | 0 | 0 | 105.9 | K294 V298 | K294-V296 PolarHBondContact O-N 2.94Å; V296-V298 HydrophobicContact CG1-CG2 4.41Å; V296-V298 PolarHBondContact O-N 3.05Å; V296-V298 VanDerWaalsContact O-N 3.15Å | ||
| 297 | D | 39.5 | Very low | 45.5 | Very low | 85 Ų | 85 | 101.9 Ų | 101.9 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | trans | -63.6 | 110.1 | 159.2 | -95.5 | -29.1 | 0 | 0 | 0 | 105.3 | I295 P299 T307 | I295-D297 PolarHBondContact O-N 2.74Å; D297-P299 WeakPolarHBondContact O-CD 3.32Å; D297-P299 VanDerWaalsContact O-N 3.15Å; D297-T307 HydrophobicContact CB-CG2 4.18Å | ||
| 298 | V | 48.1 | Very low | 48.1 | Very low | 67 Ų | 67 | 100.3 Ų | 100.3 | 41% | 0.406 | 55% | 0.55 | S | S | . | * | trans | -69.3 | 105.7 | 163.9 | -179.6 | 0 | 0 | 0 | 0 | 105 | V296 I300 | V296-V298 HydrophobicContact CG1-CG2 4.41Å; V296-V298 PolarHBondContact O-N 3.05Å; V296-V298 VanDerWaalsContact O-N 3.15Å; V298-I300 PolarHBondContact O-N 2.72Å | ||
| 299 | P | 52.6 | Low | 50.5 | Low | 59 Ų | 59 | 97.9 Ų | 97.9 | 38% | 0.383 | 53% | 0.53 | S | S | . | . | trans | -71.4 | -20.2 | -163.5 | 26.9 | -31.1 | 0 | 0 | 0 | 111.8 | D297 N305 F306 T307 | D297-P299 WeakPolarHBondContact O-CD 3.32Å; D297-P299 VanDerWaalsContact O-N 3.15Å; P299-N305 CarbonylContact O-C 3.56Å; P299-N305 VanDerWaalsContact O-C 3.28Å; P299-N305 WeakPolarHBondContact O-CA 3.22Å; P299-N305 PolarHBondContact O-OD1 2.97Å; P299-F306 PolarHBondContact O-N 3.37Å; P299-T307 VanDerWaalsContact CB-OG1 3.26Å; P299-T307 WeakPolarHBondContact CB-OG1 3.4Å | ||
| 300 | I | 55.4 | Low | 53.3 | Low | 92 Ų | 92 | 91.7 Ų | 91.7 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 119 | -173.3 | -57.9 | 172.5 | 0 | 0 | 0 | 110.7 | V298 F304 N305 | V298-I300 PolarHBondContact O-N 2.72Å; I300-F304 CarbonylContact C-O 3.53Å; I300-F304 VanDerWaalsContact CA-O 3.23Å; I300-F304 WeakPolarHBondContact CA-O 3.48Å; I300-N305 HydrophobicContact CG1-CB 3.97Å |
| 301 | V | 57.4 | Low | 55.9 | Low | 5 Ų | 5 | 89.7 Ų | 89.7 | 3% | 0.03 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 124.8 | 174.1 | 178.8 | 0 | 0 | 0 | 0 | 109 | G303 F304 F306 H324 L327 L328 | V301-G303 PolarHBondContact O-N 3.05Å; V301-G303 VanDerWaalsContact O-N 3.14Å; V301-F304 PolarHBondContact N-O 2.91Å; V301-F304 WeakPolarHBondContact O-CB 3.26Å; V301-F304 PolarHBondContact O-N 2.93Å; V301-F306 HydrophobicContact CB-CD2 4.12Å; V301-F306 HydrophobicContact CB-CE2 3.9Å; V301-F306 HydrophobicContact CG2-CD2 4.45Å; V301-H324 WeakPolarHBondContact CG2-NE2 3.5Å; V301-L327 HydrophobicContact CG1-CB 3.99Å; V301-L328 HydrophobicContact CG1-CD2 3.93Å; V301-L328 HydrophobicContact CG1-CG 4.16Å; V301-L328 HydrophobicContact CG2-CD2 4.38Å |
| 302 | A | 56.9 | Low | 58.7 | Low | 61 Ų | 61 | 85 Ų | 85 | 50% | 0.504 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 36.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F304 L327 | A302-F304 WeakPolarHBondContact O-CD2 3.34Å; A302-L327 HydrophobicContact CB-CD1 4.27Å; A302-L327 HydrophobicContact CB-CD2 4.29Å |
| 303 | G | 61.3 | Low | 61.4 | Low | 68 Ų | 68 | 83.1 Ų | 83.1 | 70% | 0.701 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | -5.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | V301 | V301-G303 PolarHBondContact O-N 3.05Å; V301-G303 VanDerWaalsContact O-N 3.14Å |
| 304 | F | 70.7 | Confident | 64.2 | Low | 88 Ų | 88 | 78.6 Ų | 78.6 | 39% | 0.386 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 121 | -179.8 | -65.2 | -86 | 0 | 0 | 0 | 111.9 | I300 V301 A302 F306 L309 F323 L327 | I300-F304 CarbonylContact C-O 3.53Å; I300-F304 VanDerWaalsContact CA-O 3.23Å; I300-F304 WeakPolarHBondContact CA-O 3.48Å; V301-F304 PolarHBondContact N-O 2.91Å; V301-F304 WeakPolarHBondContact O-CB 3.26Å; V301-F304 PolarHBondContact O-N 2.93Å; A302-F304 WeakPolarHBondContact O-CD2 3.34Å; F304-F306 HydrophobicContact CB-CD2 4.16Å; F304-F306 HydrophobicContact CB-CE2 3.62Å; F304-F306 HydrophobicContact CB-CZ 4.07Å; F304-F306 WeakPolarHBondContact O-CD2 3.44Å; F304-F306 PolarHBondContact O-N 3.11Å; F304-L309 HydrophobicContact CB-CD1 3.93Å; F304-L309 HydrophobicContact CD1-CD1 4.19Å; F304-F323 HydrophobicContact CD1-CE1 4.24Å; F304-F323 HydrophobicContact CD2-CE1 4.29Å; F304-F323 HydrophobicContact CE1-CE1 4.26Å; F304-F323 HydrophobicContact CE2-CE1 4.31Å; F304-F323 HydrophobicContact CE2-CZ 4.2Å; F304-F323 HydrophobicContact CG-CE1 4.25Å; F304-F323 HydrophobicContact CZ-CE1 4.29Å; F304-F323 HydrophobicContact CZ-CZ 4.2Å; F304-L327 HydrophobicContact CB-CD1 4.39Å; F304-L327 HydrophobicContact CD2-CD1 3.46Å; F304-L327 VanDerWaalsContact CD2-CD1 3.46Å; F304-L327 HydrophobicContact CE2-CD1 4.02Å; F304-L327 HydrophobicContact CG-CD1 4.14Å |
| 305 | N | 80.2 | Confident | 66.7 | Low | 44 Ų | 44 | 76.2 Ų | 76.2 | 24% | 0.235 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 92.4 | 175.8 | -171.5 | -34.7 | 0 | 0 | 0 | 111.1 | P299 I300 T307 Q308 L309 | P299-N305 CarbonylContact O-C 3.56Å; P299-N305 VanDerWaalsContact O-C 3.28Å; P299-N305 WeakPolarHBondContact O-CA 3.22Å; P299-N305 PolarHBondContact O-OD1 2.97Å; I300-N305 HydrophobicContact CG1-CB 3.97Å; N305-T307 VanDerWaalsContact C-N 3.33Å; N305-T307 PolarHBondContact O-N 2.89Å; N305-T307 PolarHBondContact OD1-N 3.47Å; N305-T307 PolarHBondContact OD1-OG1 3.44Å; N305-Q308 HydrophobicContact CB-CB 3.91Å; N305-Q308 PolarHBondContact O-N 3.41Å; N305-Q308 VanDerWaalsContact O-N 3.12Å; N305-Q308 WeakPolarHBondContact OD1-CB 3.38Å; N305-Q308 PolarHBondContact OD1-N 3.46Å; N305-L309 WeakPolarHBondContact O-CB 3.45Å; N305-L309 VanDerWaalsContact O-CG 3.29Å; N305-L309 WeakPolarHBondContact O-CG 3.36Å; N305-L309 PolarHBondContact O-N 3.11Å |
| 306 | F | 78.2 | Confident | 69.2 | Low | 3 Ų | 3 | 73.3 Ų | 73.3 | 1% | 0.013 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.4 | -31 | -174 | -79.1 | -83.7 | 0 | 0 | 0 | 113.7 | P299 V301 F304 Q308 L309 R310 L320 F323 H324 L327 | P299-F306 PolarHBondContact O-N 3.37Å; V301-F306 HydrophobicContact CB-CD2 4.12Å; V301-F306 HydrophobicContact CB-CE2 3.9Å; V301-F306 HydrophobicContact CG2-CD2 4.45Å; F304-F306 HydrophobicContact CB-CD2 4.16Å; F304-F306 HydrophobicContact CB-CE2 3.62Å; F304-F306 HydrophobicContact CB-CZ 4.07Å; F304-F306 WeakPolarHBondContact O-CD2 3.44Å; F304-F306 PolarHBondContact O-N 3.11Å; F306-Q308 VanDerWaalsContact C-N 3.34Å; F306-L309 HydrophobicContact CD1-CD1 4.37Å; F306-L309 HydrophobicContact CE1-CD1 4.46Å; F306-L309 PolarHBondContact O-N 3.48Å; F306-R310 WeakPolarHBondContact O-CB 3.5Å; F306-R310 WeakPolarHBondContact O-CG 3.28Å; F306-R310 PolarHBondContact O-N 3.31Å; F306-L320 HydrophobicContact CD1-CD2 4.49Å; F306-L320 HydrophobicContact CE1-CD2 4.32Å; F306-L320 WeakPolarHBondContact CE1-O 3.39Å; F306-F323 AromaticContact CE1-CD1 3.88Å; F306-F323 HydrophobicContact CE1-CD1 3.88Å; F306-F323 AromaticContact CZ-CD1 3.71Å; F306-F323 HydrophobicContact CZ-CD1 3.71Å; F306-F323 HydrophobicContact CZ-CE1 4.15Å; F306-H324 HydrophobicContact CD1-CB 3.72Å; F306-H324 HydrophobicContact CD2-CB 4.42Å; F306-H324 AromaticContact CD2-CD2 3.41Å; F306-H324 VanDerWaalsContact CD2-CD2 3.41Å; F306-H324 WeakPolarHBondContact CD2-CD2 3.26Å; F306-H324 HydrophobicContact CE1-CB 3.53Å; F306-H324 HydrophobicContact CE2-CB 4.25Å; F306-H324 AromaticContact CE2-CD2 3.66Å; F306-H324 HydrophobicContact CG-CB 4.16Å; F306-H324 AromaticContact CG-CD2 3.66Å; F306-H324 HydrophobicContact CZ-CB 3.81Å; F306-L327 HydrophobicContact CE2-CD1 3.81Å; F306-L327 HydrophobicContact CZ-CD1 3.65Å |
| 307 | T | 74.3 | Confident | 71.2 | Confident | 43 Ų | 43 | 69.8 Ų | 69.8 | 26% | 0.264 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 170.9 | 31.7 | 0 | 0 | 0 | 0 | 111.5 | D297 P299 N305 N311 | D297-T307 HydrophobicContact CB-CG2 4.18Å; P299-T307 VanDerWaalsContact CB-OG1 3.26Å; P299-T307 WeakPolarHBondContact CB-OG1 3.4Å; N305-T307 VanDerWaalsContact C-N 3.33Å; N305-T307 PolarHBondContact O-N 2.89Å; N305-T307 PolarHBondContact OD1-N 3.47Å; N305-T307 PolarHBondContact OD1-OG1 3.44Å; T307-N311 WeakPolarHBondContact O-CB 3.37Å; T307-N311 PolarHBondContact O-N 3.3Å; T307-N311 PolarHBondContact O-ND2 3.03Å; T307-N311 VanDerWaalsContact O-ND2 3.16Å |
| 308 | Q | 79.2 | Confident | 72.8 | Confident | 109 Ų | 109 | 72.8 Ų | 72.8 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -73.2 | -39.5 | 177.2 | -167.1 | 175.6 | -4.2 | 0 | 0 | 111.8 | N305 F306 N311 I312 | N305-Q308 HydrophobicContact CB-CB 3.91Å; N305-Q308 PolarHBondContact O-N 3.41Å; N305-Q308 VanDerWaalsContact O-N 3.12Å; N305-Q308 WeakPolarHBondContact OD1-CB 3.38Å; N305-Q308 PolarHBondContact OD1-N 3.46Å; F306-Q308 VanDerWaalsContact C-N 3.34Å; Q308-N311 PolarHBondContact O-N 2.86Å; Q308-I312 HydrophobicContact CG-CD1 3.7Å; Q308-I312 HydrophobicContact CG-CG1 4.36Å; Q308-I312 WeakPolarHBondContact O-CB 3.18Å; Q308-I312 VanDerWaalsContact O-CG1 3.22Å; Q308-I312 WeakPolarHBondContact O-CG1 3.37Å; Q308-I312 PolarHBondContact O-N 3.47Å |
| 309 | L | 77.5 | Confident | 74.4 | Confident | 46 Ų | 46 | 74.2 Ų | 74.2 | 24% | 0.241 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 177.8 | -72.3 | 166.6 | 0 | 0 | 0 | 112.1 | F304 N305 F306 N311 I312 H313 L320 | F304-L309 HydrophobicContact CB-CD1 3.93Å; F304-L309 HydrophobicContact CD1-CD1 4.19Å; N305-L309 WeakPolarHBondContact O-CB 3.45Å; N305-L309 VanDerWaalsContact O-CG 3.29Å; N305-L309 WeakPolarHBondContact O-CG 3.36Å; N305-L309 PolarHBondContact O-N 3.11Å; F306-L309 HydrophobicContact CD1-CD1 4.37Å; F306-L309 HydrophobicContact CE1-CD1 4.46Å; F306-L309 PolarHBondContact O-N 3.48Å; L309-N311 VanDerWaalsContact C-N 3.32Å; L309-N311 PolarHBondContact O-N 3.31Å; L309-I312 PolarHBondContact O-N 3.13Å; L309-H313 PolarHBondContact O-N 3.11Å; L309-L320 HydrophobicContact CB-CD1 4.02Å; L309-L320 HydrophobicContact CB-CD2 3.95Å; L309-L320 HydrophobicContact CD1-CD2 4.23Å |
| 310 | R | 83.4 | Confident | 75.7 | Confident | 54 Ų | 54 | 72.3 Ų | 72.3 | 20% | 0.204 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65 | -36.5 | 174.3 | -71.7 | 173.3 | -173.1 | 144.3 | 2.4 | 112.1 | F306 H313 P314 L320 N321 | F306-R310 WeakPolarHBondContact O-CB 3.5Å; F306-R310 WeakPolarHBondContact O-CG 3.28Å; F306-R310 PolarHBondContact O-N 3.31Å; R310-H313 CarbonylContact O-C 3.47Å; R310-P314 WeakPolarHBondContact O-CA 3.42Å; R310-L320 HydrophobicContact CG-CD1 4.16Å; R310-N321 VanDerWaalsContact CZ-OD1 3.32Å; R310-N321 PolarHBondContact NE-OD1 2.9Å; R310-N321 VanDerWaalsContact NE-OD1 3.11Å; R310-N321 PolarHBondContact NH2-OD1 2.89Å |
| 311 | N | 79.9 | Confident | 76.6 | Confident | 136 Ų | 136 | 71 Ų | 71 | 73% | 0.727 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -71.6 | -33.8 | 177.8 | -71.7 | -15.5 | 0 | 0 | 0 | 112.7 | T307 Q308 L309 | T307-N311 WeakPolarHBondContact O-CB 3.37Å; T307-N311 PolarHBondContact O-N 3.3Å; T307-N311 PolarHBondContact O-ND2 3.03Å; T307-N311 VanDerWaalsContact O-ND2 3.16Å; Q308-N311 PolarHBondContact O-N 2.86Å; L309-N311 VanDerWaalsContact C-N 3.32Å; L309-N311 PolarHBondContact O-N 3.31Å |
| 312 | I | 85 | Confident | 77.4 | Confident | 97 Ų | 97 | 76.4 Ų | 76.4 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -81.9 | -36.7 | 179.4 | -64.9 | 170 | 0 | 0 | 0 | 111.3 | Q308 L309 P314 | Q308-I312 HydrophobicContact CG-CD1 3.7Å; Q308-I312 HydrophobicContact CG-CG1 4.36Å; Q308-I312 WeakPolarHBondContact O-CB 3.18Å; Q308-I312 VanDerWaalsContact O-CG1 3.22Å; Q308-I312 WeakPolarHBondContact O-CG1 3.37Å; Q308-I312 PolarHBondContact O-N 3.47Å; L309-I312 PolarHBondContact O-N 3.13Å; I312-P314 VanDerWaalsContact C-CD 3.47Å; I312-P314 WeakPolarHBondContact O-CD 3.15Å |
| 313 | H | 84.6 | Confident | 78.3 | Confident | 75 Ų | 75 | 76.9 Ų | 76.9 | 35% | 0.347 | 40% | 0.398 | S | S | . | . | trans | -125.3 | 69 | -177.7 | -66.5 | -67.5 | 0 | 0 | 0 | 111.7 | L309 R310 E315 L316 L320 | L309-H313 PolarHBondContact O-N 3.11Å; R310-H313 CarbonylContact O-C 3.47Å; H313-E315 IonicContact CG-OE1 3.42Å; H313-E315 IonicContact ND1-OE1 3.86Å; H313-E315 PolarHBondContact ND1-OE1 2.72Å; H313-E315 PolarHBondContact O-N 3.12Å; H313-L316 HydrophobicContact CB-CB 4.22Å; H313-L316 HydrophobicContact CB-CD1 4.14Å; H313-L316 HydrophobicContact CB-CG 4.38Å; H313-L316 PolarHBondContact O-N 3.05Å; H313-L316 VanDerWaalsContact O-N 3.1Å; H313-L320 HydrophobicContact CB-CD1 4.49Å | ||
| 314 | P | 85.1 | Confident | 78.7 | Confident | 81 Ų | 81 | 75.6 Ų | 75.6 | 53% | 0.526 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -61.3 | -28.6 | -179.7 | 24.6 | -33.7 | 0 | 0 | 0 | 112.8 | R310 I312 L316 T317 | R310-P314 WeakPolarHBondContact O-CA 3.42Å; I312-P314 VanDerWaalsContact C-CD 3.47Å; I312-P314 WeakPolarHBondContact O-CD 3.15Å; P314-L316 VanDerWaalsContact C-N 3.26Å; P314-L316 PolarHBondContact O-N 3.42Å; P314-T317 WeakPolarHBondContact O-CB 3.49Å; P314-T317 PolarHBondContact O-N 3.46Å; P314-T317 PolarHBondContact O-OG1 2.92Å |
| 315 | E | 80.9 | Confident | 78.1 | Confident | 126 Ų | 126 | 74.6 Ų | 74.6 | 59% | 0.589 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -65.3 | -25 | 176 | 68.9 | -71.6 | 170.6 | 0 | 0 | 113.9 | H313 | H313-E315 IonicContact CG-OE1 3.42Å; H313-E315 IonicContact ND1-OE1 3.86Å; H313-E315 PolarHBondContact ND1-OE1 2.72Å; H313-E315 PolarHBondContact O-N 3.12Å |
| 316 | L | 86.2 | Confident | 77.6 | Confident | 74 Ų | 74 | 77.1 Ų | 77.1 | 39% | 0.387 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -98.1 | 16.2 | 179.9 | -64.3 | 176.4 | 0 | 0 | 0 | 112.7 | H313 P314 K318 E319 L320 | H313-L316 HydrophobicContact CB-CB 4.22Å; H313-L316 HydrophobicContact CB-CD1 4.14Å; H313-L316 HydrophobicContact CB-CG 4.38Å; H313-L316 PolarHBondContact O-N 3.05Å; H313-L316 VanDerWaalsContact O-N 3.1Å; P314-L316 VanDerWaalsContact C-N 3.26Å; P314-L316 PolarHBondContact O-N 3.42Å; L316-K318 PolarHBondContact O-N 2.9Å; L316-K318 VanDerWaalsContact O-N 3.15Å; L316-E319 VanDerWaalsContact CA-OE2 3.31Å; L316-E319 WeakPolarHBondContact CA-OE2 3.38Å; L316-E319 HydrophobicContact CD2-CG 4.46Å; L316-E319 PolarHBondContact O-N 3.05Å; L316-L320 HydrophobicContact CB-CD1 4.22Å; L316-L320 HydrophobicContact CB-CG 4.19Å; L316-L320 VanDerWaalsContact O-CB 3.26Å; L316-L320 WeakPolarHBondContact O-CB 3.48Å; L316-L320 VanDerWaalsContact O-CG 3.27Å; L316-L320 WeakPolarHBondContact O-CG 3.43Å; L316-L320 PolarHBondContact O-N 3.2Å |
| 317 | T | 78.5 | Confident | 76.9 | Confident | 53 Ų | 53 | 78.2 Ų | 78.2 | 33% | 0.325 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.5 | -33.7 | -173 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | P314 N321 | P314-T317 WeakPolarHBondContact O-CB 3.49Å; P314-T317 PolarHBondContact O-N 3.46Å; P314-T317 PolarHBondContact O-OG1 2.92Å; T317-N321 WeakPolarHBondContact O-CB 3.5Å; T317-N321 PolarHBondContact O-N 3.43Å; T317-N321 PolarHBondContact O-ND2 2.84Å; T317-N321 VanDerWaalsContact O-ND2 3.14Å |
| 318 | K | 74.1 | Confident | 76.1 | Confident | 147 Ų | 147 | 78.7 Ų | 78.7 | 64% | 0.639 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -71.7 | -47.4 | 179.3 | -168.3 | -177.4 | 175.1 | -169.5 | 0 | 111.1 | L316 L320 N321 E322 | L316-K318 PolarHBondContact O-N 2.9Å; L316-K318 VanDerWaalsContact O-N 3.15Å; K318-L320 VanDerWaalsContact C-N 3.35Å; K318-N321 WeakPolarHBondContact O-CB 3.34Å; K318-N321 PolarHBondContact O-N 3.15Å; K318-N321 VanDerWaalsContact O-N 3.16Å; K318-E322 PolarHBondContact O-N 2.71Å |
| 319 | E | 81.7 | Confident | 74.8 | Confident | 98 Ų | 98 | 77.1 Ų | 77.1 | 46% | 0.458 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66 | -37.4 | 177.7 | -62.9 | 79.2 | -179 | 0 | 0 | 111.4 | L316 N321 E322 F323 | L316-E319 VanDerWaalsContact CA-OE2 3.31Å; L316-E319 WeakPolarHBondContact CA-OE2 3.38Å; L316-E319 HydrophobicContact CD2-CG 4.46Å; L316-E319 PolarHBondContact O-N 3.05Å; E319-N321 VanDerWaalsContact C-N 3.32Å; E319-E322 PolarHBondContact O-N 3.18Å; E319-F323 VanDerWaalsContact O-CB 3.26Å; E319-F323 WeakPolarHBondContact O-CB 3.44Å; E319-F323 PolarHBondContact O-N 2.72Å |
| 320 | L | 80 | Confident | 73.7 | Confident | 19 Ų | 19 | 79 Ų | 79 | 10% | 0.099 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.1 | -33.5 | 173.3 | -75.4 | 171.1 | 0 | 0 | 0 | 111.6 | F306 L309 R310 H313 L316 K318 H324 | F306-L320 HydrophobicContact CD1-CD2 4.49Å; F306-L320 HydrophobicContact CE1-CD2 4.32Å; F306-L320 WeakPolarHBondContact CE1-O 3.39Å; L309-L320 HydrophobicContact CB-CD1 4.02Å; L309-L320 HydrophobicContact CB-CD2 3.95Å; L309-L320 HydrophobicContact CD1-CD2 4.23Å; R310-L320 HydrophobicContact CG-CD1 4.16Å; H313-L320 HydrophobicContact CB-CD1 4.49Å; L316-L320 HydrophobicContact CB-CD1 4.22Å; L316-L320 HydrophobicContact CB-CG 4.19Å; L316-L320 VanDerWaalsContact O-CB 3.26Å; L316-L320 WeakPolarHBondContact O-CB 3.48Å; L316-L320 VanDerWaalsContact O-CG 3.27Å; L316-L320 WeakPolarHBondContact O-CG 3.43Å; L316-L320 PolarHBondContact O-N 3.2Å; K318-L320 VanDerWaalsContact C-N 3.35Å; L320-H324 WeakPolarHBondContact O-CB 3.49Å; L320-H324 PolarHBondContact O-N 2.84Å |
| 321 | N | 74.1 | Confident | 72.5 | Confident | 64 Ų | 64 | 79.5 Ų | 79.5 | 34% | 0.342 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -71.9 | -39.1 | 173.5 | -71.9 | -20.5 | 0 | 0 | 0 | 111.7 | R310 T317 K318 E319 S325 | R310-N321 VanDerWaalsContact CZ-OD1 3.32Å; R310-N321 PolarHBondContact NE-OD1 2.9Å; R310-N321 VanDerWaalsContact NE-OD1 3.11Å; R310-N321 PolarHBondContact NH2-OD1 2.89Å; T317-N321 WeakPolarHBondContact O-CB 3.5Å; T317-N321 PolarHBondContact O-N 3.43Å; T317-N321 PolarHBondContact O-ND2 2.84Å; T317-N321 VanDerWaalsContact O-ND2 3.14Å; K318-N321 WeakPolarHBondContact O-CB 3.34Å; K318-N321 PolarHBondContact O-N 3.15Å; K318-N321 VanDerWaalsContact O-N 3.16Å; E319-N321 VanDerWaalsContact C-N 3.32Å; N321-S325 WeakPolarHBondContact O-CB 3.35Å; N321-S325 PolarHBondContact O-N 2.8Å; N321-S325 PolarHBondContact O-OG 2.73Å |
| 322 | E | 72.8 | Confident | 71.7 | Confident | 118 Ų | 118 | 74.8 Ų | 74.8 | 55% | 0.551 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.3 | -42.7 | 171.9 | -74.4 | 175.8 | -169.2 | 0 | 0 | 111.2 | K318 E319 S325 H326 | K318-E322 PolarHBondContact O-N 2.71Å; E319-E322 PolarHBondContact O-N 3.18Å; E322-S325 CarbonylContact O-C 3.28Å; E322-S325 WeakPolarHBondContact O-CB 3.4Å; E322-S325 PolarHBondContact O-N 2.87Å; E322-H326 WeakPolarHBondContact O-CB 3.37Å; E322-H326 PolarHBondContact O-N 3.02Å |
| 323 | F | 76.1 | Confident | 70.9 | Confident | 72 Ų | 72 | 73 Ų | 73 | 32% | 0.316 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69 | -39.6 | 176.7 | -175.5 | -121.3 | 0 | 0 | 0 | 112.7 | F304 F306 E319 S325 H326 L327 | F304-F323 HydrophobicContact CD1-CE1 4.24Å; F304-F323 HydrophobicContact CD2-CE1 4.29Å; F304-F323 HydrophobicContact CE1-CE1 4.26Å; F304-F323 HydrophobicContact CE2-CE1 4.31Å; F304-F323 HydrophobicContact CE2-CZ 4.2Å; F304-F323 HydrophobicContact CG-CE1 4.25Å; F304-F323 HydrophobicContact CZ-CE1 4.29Å; F304-F323 HydrophobicContact CZ-CZ 4.2Å; F306-F323 AromaticContact CE1-CD1 3.88Å; F306-F323 HydrophobicContact CE1-CD1 3.88Å; F306-F323 AromaticContact CZ-CD1 3.71Å; F306-F323 HydrophobicContact CZ-CD1 3.71Å; F306-F323 HydrophobicContact CZ-CE1 4.15Å; E319-F323 VanDerWaalsContact O-CB 3.26Å; E319-F323 WeakPolarHBondContact O-CB 3.44Å; E319-F323 PolarHBondContact O-N 2.72Å; F323-S325 VanDerWaalsContact C-N 3.31Å; F323-S325 PolarHBondContact O-N 2.77Å; F323-H326 WeakPolarHBondContact O-CB 3.49Å; F323-H326 PolarHBondContact O-N 3.25Å; F323-L327 HydrophobicContact CD1-CD1 4.11Å; F323-L327 HydrophobicContact CD1-CG 4.48Å; F323-L327 HydrophobicContact CD2-CG 4.37Å; F323-L327 HydrophobicContact CE1-CD1 3.59Å; F323-L327 HydrophobicContact CE1-CG 4.1Å; F323-L327 HydrophobicContact CE2-CD1 4.36Å; F323-L327 HydrophobicContact CE2-CD2 3.99Å; F323-L327 HydrophobicContact CE2-CG 3.97Å; F323-L327 HydrophobicContact CZ-CD1 3.73Å; F323-L327 HydrophobicContact CZ-CD2 3.86Å; F323-L327 HydrophobicContact CZ-CG 3.82Å; F323-L327 WeakPolarHBondContact O-CG 3.44Å; F323-L327 PolarHBondContact O-N 3.01Å |
| 324 | H | 69.4 | Low | 70.3 | Confident | 40 Ų | 40 | 72 Ų | 72 | 19% | 0.185 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 171.3 | 179.4 | -114.3 | 0 | 0 | 0 | 110.8 | V301 F306 L320 H326 L327 L328 | V301-H324 WeakPolarHBondContact CG2-NE2 3.5Å; F306-H324 HydrophobicContact CD1-CB 3.72Å; F306-H324 HydrophobicContact CD2-CB 4.42Å; F306-H324 AromaticContact CD2-CD2 3.41Å; F306-H324 VanDerWaalsContact CD2-CD2 3.41Å; F306-H324 WeakPolarHBondContact CD2-CD2 3.26Å; F306-H324 HydrophobicContact CE1-CB 3.53Å; F306-H324 HydrophobicContact CE2-CB 4.25Å; F306-H324 AromaticContact CE2-CD2 3.66Å; F306-H324 HydrophobicContact CG-CB 4.16Å; F306-H324 AromaticContact CG-CD2 3.66Å; F306-H324 HydrophobicContact CZ-CB 3.81Å; L320-H324 WeakPolarHBondContact O-CB 3.49Å; L320-H324 PolarHBondContact O-N 2.84Å; H324-H326 VanDerWaalsContact C-N 3.32Å; H324-H326 PolarHBondContact O-N 2.92Å; H324-L327 PolarHBondContact O-N 2.8Å; H324-L328 VanDerWaalsContact O-CG 3.29Å; H324-L328 WeakPolarHBondContact O-CG 3.48Å; H324-L328 PolarHBondContact O-N 2.84Å |
| 325 | S | 60 | Low | 69.5 | Low | 67 Ų | 67 | 73.9 Ų | 73.9 | 47% | 0.469 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 175.1 | -54.9 | 0 | 0 | 0 | 0 | 111 | N321 E322 F323 L328 T329 | N321-S325 WeakPolarHBondContact O-CB 3.35Å; N321-S325 PolarHBondContact O-N 2.8Å; N321-S325 PolarHBondContact O-OG 2.73Å; E322-S325 CarbonylContact O-C 3.28Å; E322-S325 WeakPolarHBondContact O-CB 3.4Å; E322-S325 PolarHBondContact O-N 2.87Å; F323-S325 VanDerWaalsContact C-N 3.31Å; F323-S325 PolarHBondContact O-N 2.77Å; S325-L328 PolarHBondContact O-N 3.48Å; S325-T329 WeakPolarHBondContact O-CG2 3.03Å; S325-T329 PolarHBondContact O-N 3.02Å; S325-T329 PolarHBondContact O-OG1 3.02Å |
| 326 | H | 68.9 | Low | 68.9 | Low | 98 Ų | 98 | 74 Ų | 74 | 45% | 0.454 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.6 | -49.8 | 176.8 | -178.2 | 64.1 | 0 | 0 | 0 | 112.1 | E322 F323 H324 L328 T329 T330 | E322-H326 WeakPolarHBondContact O-CB 3.37Å; E322-H326 PolarHBondContact O-N 3.02Å; F323-H326 WeakPolarHBondContact O-CB 3.49Å; F323-H326 PolarHBondContact O-N 3.25Å; H324-H326 VanDerWaalsContact C-N 3.32Å; H324-H326 PolarHBondContact O-N 2.92Å; H326-L328 PolarHBondContact O-N 3.47Å; H326-T329 VanDerWaalsContact C-OG1 3.3Å; H326-T329 VanDerWaalsContact CA-OG1 3.25Å; H326-T329 WeakPolarHBondContact CA-OG1 3.43Å; H326-T329 CarbonylContact O-C 3.58Å; H326-T329 WeakPolarHBondContact O-CA 3.4Å; H326-T329 WeakPolarHBondContact O-CB 3.43Å; H326-T329 PolarHBondContact O-N 3.35Å; H326-T329 PolarHBondContact O-OG1 3.27Å; H326-T330 PolarHBondContact O-N 3.25Å; H326-T330 PolarHBondContact O-OG1 3.21Å |
| 327 | L | 63.6 | Low | 68.2 | Low | 26 Ų | 26 | 72.6 Ų | 72.6 | 14% | 0.136 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.9 | -31 | 177.5 | -70.2 | 180 | 0 | 0 | 0 | 112.8 | V301 A302 F304 F306 F323 H324 T329 | V301-L327 HydrophobicContact CG1-CB 3.99Å; A302-L327 HydrophobicContact CB-CD1 4.27Å; A302-L327 HydrophobicContact CB-CD2 4.29Å; F304-L327 HydrophobicContact CB-CD1 4.39Å; F304-L327 HydrophobicContact CD2-CD1 3.46Å; F304-L327 VanDerWaalsContact CD2-CD1 3.46Å; F304-L327 HydrophobicContact CE2-CD1 4.02Å; F304-L327 HydrophobicContact CG-CD1 4.14Å; F306-L327 HydrophobicContact CE2-CD1 3.81Å; F306-L327 HydrophobicContact CZ-CD1 3.65Å; F323-L327 HydrophobicContact CD1-CD1 4.11Å; F323-L327 HydrophobicContact CD1-CG 4.48Å; F323-L327 HydrophobicContact CD2-CG 4.37Å; F323-L327 HydrophobicContact CE1-CD1 3.59Å; F323-L327 HydrophobicContact CE1-CG 4.1Å; F323-L327 HydrophobicContact CE2-CD1 4.36Å; F323-L327 HydrophobicContact CE2-CD2 3.99Å; F323-L327 HydrophobicContact CE2-CG 3.97Å; F323-L327 HydrophobicContact CZ-CD1 3.73Å; F323-L327 HydrophobicContact CZ-CD2 3.86Å; F323-L327 HydrophobicContact CZ-CG 3.82Å; F323-L327 WeakPolarHBondContact O-CG 3.44Å; F323-L327 PolarHBondContact O-N 3.01Å; H324-L327 PolarHBondContact O-N 2.8Å; L327-T329 VanDerWaalsContact C-N 3.31Å |
| 328 | L | 56.3 | Low | 67.9 | Low | 52 Ų | 52 | 76.7 Ų | 76.7 | 27% | 0.272 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70.7 | -27.8 | 170.6 | -71.5 | 170.1 | 0 | 0 | 0 | 112.2 | V301 H324 S325 H326 R391 | V301-L328 HydrophobicContact CG1-CD2 3.93Å; V301-L328 HydrophobicContact CG1-CG 4.16Å; V301-L328 HydrophobicContact CG2-CD2 4.38Å; H324-L328 VanDerWaalsContact O-CG 3.29Å; H324-L328 WeakPolarHBondContact O-CG 3.48Å; H324-L328 PolarHBondContact O-N 2.84Å; S325-L328 PolarHBondContact O-N 3.48Å; H326-L328 PolarHBondContact O-N 3.47Å; L328-R391 PolarHBondContact O-NE 3.2Å; L328-R391 PolarHBondContact O-NH2 3.11Å |
| 329 | T | 51.9 | Low | 67.8 | Low | 77 Ų | 77 | 72.9 Ų | 72.9 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -80.6 | -28.4 | 176.8 | 54.5 | 0 | 0 | 0 | 0 | 114.6 | S325 H326 L327 R391 | S325-T329 WeakPolarHBondContact O-CG2 3.03Å; S325-T329 PolarHBondContact O-N 3.02Å; S325-T329 PolarHBondContact O-OG1 3.02Å; H326-T329 VanDerWaalsContact C-OG1 3.3Å; H326-T329 VanDerWaalsContact CA-OG1 3.25Å; H326-T329 WeakPolarHBondContact CA-OG1 3.43Å; H326-T329 CarbonylContact O-C 3.58Å; H326-T329 WeakPolarHBondContact O-CA 3.4Å; H326-T329 WeakPolarHBondContact O-CB 3.43Å; H326-T329 PolarHBondContact O-N 3.35Å; H326-T329 PolarHBondContact O-OG1 3.27Å; L327-T329 VanDerWaalsContact C-N 3.31Å; T329-R391 PolarHBondContact O-NH2 3.33Å |
| 330 | T | 55.4 | Low | 67.2 | Low | 85 Ų | 85 | 77 Ų | 77 | 52% | 0.521 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -86.4 | -13.9 | -170.1 | -35.7 | 0 | 0 | 0 | 0 | 114.8 | H326 D332 | H326-T330 PolarHBondContact O-N 3.25Å; H326-T330 PolarHBondContact O-OG1 3.21Å; T330-D332 PolarHBondContact O-N 3.32Å |
| 331 | D | 58.4 | Low | 67.1 | Low | 64 Ų | 64 | 78.2 Ų | 78.2 | 34% | 0.342 | 40% | 0.401 | S | S | . | . | trans | -94.3 | 98.9 | -178.8 | -153.7 | 11.7 | 0 | 0 | 0 | 109.8 | R335 R391 | D331-R335 IonicContact OD2-CZ 2.89Å; D331-R335 IonicContact OD2-NE 2.76Å; D331-R335 PolarHBondContact OD2-NE 2.93Å; D331-R335 IonicContact OD2-NH2 3.13Å; D331-R335 PolarHBondContact OD2-NH2 3.28Å; D331-R391 PolarHBondContact O-NH2 2.92Å; D331-R391 VanDerWaalsContact O-NH2 3.13Å | ||
| 332 | D | 62.6 | Low | 67.3 | Low | 37 Ų | 37 | 76.2 Ų | 76.2 | 20% | 0.198 | 39% | 0.389 | C | S | . | . | trans | -94.4 | -1.6 | 178.3 | -69.2 | -38.1 | 0 | 0 | 0 | 113 | T330 R388 R391 H1208 | T330-D332 PolarHBondContact O-N 3.32Å; D332-R388 IonicContact OD1-NH1 2.72Å; D332-R391 IonicContact OD1-NH2 3.13Å; D332-H1208 WeakPolarHBondContact OD2-CB 3.43Å; D332-H1208 IonicContact OD2-CG 3.54Å; D332-H1208 IonicContact OD2-ND1 3.37Å | ||
| 333 | E | 68.4 | Low | 67.6 | Low | 61 Ų | 61 | 78.5 Ų | 78.5 | 29% | 0.285 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -74.7 | 144.5 | 174.1 | -78.4 | -71.3 | 168.6 | 0 | 0 | 112 | R335 G1211 Q1212 | E333-R335 PolarHBondContact O-N 3.05Å; E333-G1211 PolarHBondContact OE1-N 2.72Å; E333-Q1212 PolarHBondContact OE1-N 3.09Å |
| 334 | L | 71.9 | Confident | 68.1 | Low | 54 Ų | 54 | 77.7 Ų | 77.7 | 28% | 0.283 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 121.8 | -175.6 | -66.9 | 174.2 | 0 | 0 | 0 | 111.3 | L268 P386 P1210 | L268-L334 HydrophobicContact CD1-CD1 3.62Å; L268-L334 HydrophobicContact CD2-CD1 3.43Å; L268-L334 VanDerWaalsContact CD2-CD1 3.43Å; L268-L334 HydrophobicContact CG-CD1 4.19Å; L334-P386 VanDerWaalsContact CD2-C 3.43Å; L334-P386 HydrophobicContact CD2-CB 3.91Å; L334-P386 WeakPolarHBondContact CD2-O 3.45Å; L334-P1210 HydrophobicContact CD1-CG 4.45Å; L334-P1210 HydrophobicContact CG-CB 4.39Å; L334-P1210 HydrophobicContact CG-CG 4.44Å |
| 335 | R | 68.5 | Low | 69 | Low | 119 Ų | 119 | 75.8 Ų | 75.8 | 45% | 0.449 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -94 | 133.1 | 171.5 | -64.1 | -173 | -168.8 | 171.9 | 5.9 | 111 | D331 E333 L337 | D331-R335 IonicContact OD2-CZ 2.89Å; D331-R335 IonicContact OD2-NE 2.76Å; D331-R335 PolarHBondContact OD2-NE 2.93Å; D331-R335 IonicContact OD2-NH2 3.13Å; D331-R335 PolarHBondContact OD2-NH2 3.28Å; E333-R335 PolarHBondContact O-N 3.05Å; R335-L337 PolarHBondContact O-N 2.76Å |
| 336 | P | 68.1 | Low | 70.5 | Confident | 129 Ų | 129 | 72.7 Ų | 72.7 | 84% | 0.838 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -66 | 131.3 | 176.3 | 25.4 | -31.7 | 0 | 0 | 0 | 111.1 | ||
| 337 | L | 71.3 | Confident | 71.6 | Confident | 45 Ų | 45 | 69.2 Ų | 69.2 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | trans | -108.7 | 148.5 | -179.3 | -68.3 | 172.5 | 0 | 0 | 0 | 111 | R335 F342 A389 V393 | R335-L337 PolarHBondContact O-N 2.76Å; L337-F342 HydrophobicContact CB-CE1 3.76Å; L337-F342 HydrophobicContact CB-CE2 4.48Å; L337-F342 HydrophobicContact CB-CZ 3.58Å; L337-F342 HydrophobicContact CD1-CE1 3.75Å; L337-F342 HydrophobicContact CD1-CZ 4.39Å; L337-F342 HydrophobicContact CG-CE1 4.42Å; L337-A389 HydrophobicContact CD1-CB 3.75Å; L337-V393 HydrophobicContact CD1-CG2 4.41Å; L337-V393 HydrophobicContact CD2-CG2 4.35Å | ||
| 338 | K | 73.3 | Confident | 72.9 | Confident | 138 Ų | 138 | 68.9 Ų | 68.9 | 60% | 0.6 | 34% | 0.344 | S | S | * | . | trans | -85.9 | 150 | 177.5 | -62.2 | -177.4 | -179.7 | -177.6 | 0 | 111.1 | W340 Q341 | K338-W340 VanDerWaalsContact C-N 3.31Å; K338-W340 PolarHBondContact O-N 2.76Å; K338-W340 VanDerWaalsContact O-N 3.15Å; K338-Q341 HydrophobicContact CB-CG 4.32Å; K338-Q341 WeakPolarHBondContact O-CB 3.41Å; K338-Q341 PolarHBondContact O-N 2.67Å | ||
| 339 | A | 70.4 | Confident | 74.7 | Confident | 67 Ų | 67 | 66.4 Ų | 66.4 | 55% | 0.554 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -51.4 | -42.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q341 F342 | A339-Q341 PolarHBondContact O-N 3.22Å; A339-F342 WeakPolarHBondContact O-CD2 3.12Å; A339-F342 PolarHBondContact O-N 3.27Å |
| 340 | W | 70.7 | Confident | 76.7 | Confident | 184 Ų | 184 | 62.8 Ų | 62.8 | 70% | 0.697 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -68.6 | -20 | -179.7 | 64.1 | -94 | 0 | 0 | 0 | 114.1 | K338 F342 R343 | K338-W340 VanDerWaalsContact C-N 3.31Å; K338-W340 PolarHBondContact O-N 2.76Å; K338-W340 VanDerWaalsContact O-N 3.15Å; W340-F342 PolarHBondContact O-N 2.88Å; W340-R343 PolarHBondContact O-N 2.91Å |
| 341 | Q | 76.5 | Confident | 78.5 | Confident | 46 Ų | 46 | 59.5 Ų | 59.5 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -73.6 | -16.7 | 178 | -62.8 | 179.4 | -60.8 | 0 | 0 | 112.2 | K338 A339 V393 | K338-Q341 HydrophobicContact CB-CG 4.32Å; K338-Q341 WeakPolarHBondContact O-CB 3.41Å; K338-Q341 PolarHBondContact O-N 2.67Å; A339-Q341 PolarHBondContact O-N 3.22Å; Q341-V393 HydrophobicContact CB-CG1 4.02Å; Q341-V393 HydrophobicContact CB-CG2 4.09Å; Q341-V393 HydrophobicContact CG-CG1 4.22Å |
| 342 | F | 78.2 | Confident | 80.1 | Confident | 22 Ų | 22 | 58.9 Ų | 58.9 | 10% | 0.096 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -80.3 | -17.7 | 177.3 | -57.9 | -57 | 0 | 0 | 0 | 113.4 | L337 A339 W340 D344 L345 L1170 L1173 | L337-F342 HydrophobicContact CB-CE1 3.76Å; L337-F342 HydrophobicContact CB-CE2 4.48Å; L337-F342 HydrophobicContact CB-CZ 3.58Å; L337-F342 HydrophobicContact CD1-CE1 3.75Å; L337-F342 HydrophobicContact CD1-CZ 4.39Å; L337-F342 HydrophobicContact CG-CE1 4.42Å; A339-F342 WeakPolarHBondContact O-CD2 3.12Å; A339-F342 PolarHBondContact O-N 3.27Å; W340-F342 PolarHBondContact O-N 2.88Å; F342-D344 VanDerWaalsContact C-N 3.32Å; F342-D344 PolarHBondContact O-N 3.17Å; F342-D344 VanDerWaalsContact O-N 3.16Å; F342-L345 HydrophobicContact CD1-CD2 4.36Å; F342-L345 VanDerWaalsContact O-CB 3.3Å; F342-L345 WeakPolarHBondContact O-CB 3.26Å; F342-L345 PolarHBondContact O-N 3.39Å; F342-L1170 HydrophobicContact CB-CB 4.1Å; F342-L1170 WeakPolarHBondContact O-CB 3.33Å; F342-L1173 HydrophobicContact CD1-CD1 4.42Å; F342-L1173 HydrophobicContact CE1-CB 4.09Å; F342-L1173 HydrophobicContact CE1-CD1 4.09Å; F342-L1173 HydrophobicContact CZ-CB 4.42Å |
| 343 | R | 80.4 | Confident | 81.5 | Confident | 165 Ų | 165 | 57.1 Ų | 57.1 | 62% | 0.623 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -44.9 | -169 | -175 | -178.8 | 173.4 | 175.3 | -0 | 113.8 | W340 S1169 | W340-R343 PolarHBondContact O-N 2.91Å; R343-S1169 VanDerWaalsContact O-CA 3.31Å; R343-S1169 WeakPolarHBondContact O-CA 3.39Å |
| 344 | D | 85.3 | Confident | 82.6 | Confident | 56 Ų | 56 | 54.7 Ų | 54.7 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 9.2 | -176.8 | -77.9 | -23.4 | 0 | 0 | 0 | 113.1 | F342 S346 L347 Q348 R402 | F342-D344 VanDerWaalsContact C-N 3.32Å; F342-D344 PolarHBondContact O-N 3.17Å; F342-D344 VanDerWaalsContact O-N 3.16Å; D344-S346 VanDerWaalsContact C-N 3.35Å; D344-S346 PolarHBondContact O-N 3.19Å; D344-L347 WeakPolarHBondContact O-CB 3.39Å; D344-L347 PolarHBondContact O-N 3.4Å; D344-Q348 HydrophobicContact CB-CG 4.49Å; D344-Q348 WeakPolarHBondContact O-CG 3.4Å; D344-Q348 PolarHBondContact O-N 3.46Å; D344-R402 IonicContact OD1-NH2 3.47Å; D344-R402 PolarHBondContact OD1-NH2 2.96Å; D344-R402 IonicContact OD2-CZ 3.04Å; D344-R402 IonicContact OD2-NH2 3.7Å; D344-R402 PolarHBondContact OD2-NH2 3.45Å |
| 345 | L | 88.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.9 | -42.9 | -170.5 | -170.6 | 74 | 0 | 0 | 0 | 112.9 | F342 L347 Q348 A349 L392 V393 L1170 L1173 | F342-L345 HydrophobicContact CD1-CD2 4.36Å; F342-L345 VanDerWaalsContact O-CB 3.3Å; F342-L345 WeakPolarHBondContact O-CB 3.26Å; F342-L345 PolarHBondContact O-N 3.39Å; L345-L347 PolarHBondContact O-N 3.22Å; L345-Q348 PolarHBondContact O-N 3.37Å; L345-A349 WeakPolarHBondContact O-CB 3.17Å; L345-A349 PolarHBondContact O-N 3.18Å; L345-L392 HydrophobicContact CD1-CB 3.58Å; L345-L392 HydrophobicContact CD1-CD1 4.11Å; L345-L392 HydrophobicContact CD1-CG 4.48Å; L345-V393 HydrophobicContact CD1-CG2 4.23Å; L345-L1170 HydrophobicContact CB-CD1 4.23Å; L345-L1173 HydrophobicContact CD2-CD1 3.85Å |
| 346 | S | 91.7 | Very high | 84.2 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 176.3 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | D344 A349 C350 D1136 L1170 | D344-S346 VanDerWaalsContact C-N 3.35Å; D344-S346 PolarHBondContact O-N 3.19Å; S346-A349 PolarHBondContact O-N 3.25Å; S346-C350 PolarHBondContact O-N 2.92Å; S346-C350 PolarHBondContact O-SG 2.61Å; S346-D1136 WeakPolarHBondContact CB-OD1 3.37Å; S346-D1136 WeakPolarHBondContact CB-OD2 3.49Å; S346-D1136 PolarHBondContact OG-OD1 3.17Å; S346-D1136 PolarHBondContact OG-OD2 3.17Å; S346-L1170 WeakPolarHBondContact OG-CD1 3.23Å |
| 347 | L | 92.1 | Very high | 85 | Confident | 25 Ų | 25 | 45 Ų | 45 | 13% | 0.131 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.6 | -38 | 177.3 | -74.7 | 169.6 | 0 | 0 | 0 | 112 | D344 L345 A349 C350 Q351 V397 L401 P1166 | D344-L347 WeakPolarHBondContact O-CB 3.39Å; D344-L347 PolarHBondContact O-N 3.4Å; L345-L347 PolarHBondContact O-N 3.22Å; L347-A349 VanDerWaalsContact C-N 3.34Å; L347-C350 WeakPolarHBondContact O-CB 3.44Å; L347-C350 PolarHBondContact O-N 2.97Å; L347-Q351 PolarHBondContact O-N 3.44Å; L347-V397 HydrophobicContact CB-CG1 4.28Å; L347-V397 HydrophobicContact CB-CG2 4.08Å; L347-L401 HydrophobicContact CD2-CD2 3.93Å; L347-P1166 HydrophobicContact CD2-CB 4.29Å; L347-P1166 HydrophobicContact CD2-CG 3.67Å; L347-P1166 HydrophobicContact CG-CB 4.45Å; L347-P1166 HydrophobicContact CG-CG 4.32Å |
| 348 | Q | 92 | Very high | 85.7 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 9% | 0.089 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.5 | -40 | 175 | -69.8 | 174.8 | -41.4 | 0 | 0 | 111.5 | D344 L345 Q351 I352 L392 V393 V395 V397 | D344-Q348 HydrophobicContact CB-CG 4.49Å; D344-Q348 WeakPolarHBondContact O-CG 3.4Å; D344-Q348 PolarHBondContact O-N 3.46Å; L345-Q348 PolarHBondContact O-N 3.37Å; Q348-Q351 WeakPolarHBondContact O-CB 3.24Å; Q348-Q351 PolarHBondContact O-N 3.15Å; Q348-I352 PolarHBondContact O-N 3.49Å; Q348-I352 VanDerWaalsContact O-N 3.16Å; Q348-L392 WeakPolarHBondContact CB-O 3.42Å; Q348-L392 PolarHBondContact NE2-O 3.02Å; Q348-L392 PolarHBondContact OE1-O 3.43Å; Q348-V393 PolarHBondContact NE2-O 3.49Å; Q348-V395 HydrophobicContact CB-CB 4.34Å; Q348-V395 WeakPolarHBondContact CG-O 3.45Å; Q348-V395 PolarHBondContact NE2-O 2.53Å; Q348-V397 HydrophobicContact CB-CG2 4.37Å; Q348-V397 HydrophobicContact CG-CG2 3.64Å |
| 349 | A | 92.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L345 S346 L347 Q351 I352 V353 I381 L392 P1137 | L345-A349 WeakPolarHBondContact O-CB 3.17Å; L345-A349 PolarHBondContact O-N 3.18Å; S346-A349 PolarHBondContact O-N 3.25Å; L347-A349 VanDerWaalsContact C-N 3.34Å; A349-Q351 VanDerWaalsContact C-N 3.27Å; A349-Q351 PolarHBondContact O-N 2.59Å; A349-I352 PolarHBondContact O-N 2.94Å; A349-V353 WeakPolarHBondContact O-CG2 3.46Å; A349-V353 PolarHBondContact O-N 3.07Å; A349-V353 VanDerWaalsContact O-N 3.1Å; A349-I381 HydrophobicContact CB-CG2 3.97Å; A349-L392 HydrophobicContact CB-CD2 4.02Å; A349-P1137 HydrophobicContact CB-CB 3.89Å |
| 350 | C | 94.5 | Very high | 86 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.7 | -41.4 | 173.9 | -65.3 | 0 | 0 | 0 | 0 | 112.6 | S346 L347 V353 M354 L401 P1137 F1164 | S346-C350 PolarHBondContact O-N 2.92Å; S346-C350 PolarHBondContact O-SG 2.61Å; L347-C350 WeakPolarHBondContact O-CB 3.44Å; L347-C350 PolarHBondContact O-N 2.97Å; C350-V353 PolarHBondContact O-N 3.02Å; C350-M354 PolarHBondContact O-N 3.04Å; C350-L401 HydrophobicContact CB-CD1 4.31Å; C350-L401 HydrophobicContact CB-CD2 4.34Å; C350-P1137 VanDerWaalsContact SG-CD 3.54Å; C350-F1164 HydrophobicContact CB-CB 4.38Å; C350-F1164 HydrophobicContact CB-CD2 3.68Å; C350-F1164 HydrophobicContact CB-CE2 4.09Å; C350-F1164 HydrophobicContact CB-CG 4.06Å; C350-F1164 WeakPolarHBondContact O-CE2 3.48Å |
| 351 | Q | 93.3 | Very high | 85.9 | Confident | 16 Ų | 16 | 38 Ų | 38 | 8% | 0.075 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.8 | -49.1 | 179.1 | -176.6 | 64.2 | 57.8 | 0 | 0 | 111.6 | L347 Q348 A349 V353 M354 D355 V395 L401 | L347-Q351 PolarHBondContact O-N 3.44Å; Q348-Q351 WeakPolarHBondContact O-CB 3.24Å; Q348-Q351 PolarHBondContact O-N 3.15Å; A349-Q351 VanDerWaalsContact C-N 3.27Å; A349-Q351 PolarHBondContact O-N 2.59Å; Q351-V353 VanDerWaalsContact C-N 3.33Å; Q351-V353 PolarHBondContact O-N 3.39Å; Q351-M354 PolarHBondContact O-N 3.31Å; Q351-D355 VanDerWaalsContact NE2-CG 3.35Å; Q351-D355 PolarHBondContact NE2-OD1 3.07Å; Q351-D355 PolarHBondContact NE2-OD2 2.82Å; Q351-D355 VanDerWaalsContact O-CG 3.23Å; Q351-D355 PolarHBondContact O-N 3.43Å; Q351-V395 HydrophobicContact CB-CG1 4.12Å; Q351-V395 HydrophobicContact CG-CG1 3.89Å; Q351-L401 HydrophobicContact CB-CD1 4.36Å |
| 352 | I | 91 | Very high | 85.1 | Confident | 52 Ų | 52 | 44 Ų | 44 | 27% | 0.267 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 177.8 | -60.6 | -170.6 | 0 | 0 | 0 | 111 | Q348 A349 M354 D355 G356 I381 L392 V395 | Q348-I352 PolarHBondContact O-N 3.49Å; Q348-I352 VanDerWaalsContact O-N 3.16Å; A349-I352 PolarHBondContact O-N 2.94Å; I352-M354 VanDerWaalsContact C-N 3.3Å; I352-M354 PolarHBondContact O-N 2.7Å; I352-D355 PolarHBondContact O-N 3.28Å; I352-G356 PolarHBondContact O-N 3.44Å; I352-I381 HydrophobicContact CB-CD1 3.76Å; I352-I381 HydrophobicContact CD1-CD1 4.45Å; I352-I381 HydrophobicContact CG2-CD1 3.72Å; I352-L392 HydrophobicContact CD1-CD2 3.36Å; I352-L392 HydrophobicContact CD1-CG 4.26Å; I352-L392 HydrophobicContact CG1-CD2 4.03Å; I352-V395 HydrophobicContact CD1-CG2 3.76Å; I352-V395 HydrophobicContact CG1-CB 4.47Å; I352-V395 HydrophobicContact CG1-CG1 4.12Å; I352-V395 HydrophobicContact CG1-CG2 3.83Å |
| 353 | V | 92.3 | Very high | 84 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.3 | -43.1 | 179.6 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | A349 C350 Q351 G356 F357 G374 L378 I381 F1118 P1137 F1164 | A349-V353 WeakPolarHBondContact O-CG2 3.46Å; A349-V353 PolarHBondContact O-N 3.07Å; A349-V353 VanDerWaalsContact O-N 3.1Å; C350-V353 PolarHBondContact O-N 3.02Å; Q351-V353 VanDerWaalsContact C-N 3.33Å; Q351-V353 PolarHBondContact O-N 3.39Å; V353-G356 PolarHBondContact O-N 2.89Å; V353-F357 PolarHBondContact O-N 3.39Å; V353-G374 WeakPolarHBondContact CG1-O 3.34Å; V353-L378 HydrophobicContact CG1-CB 4.03Å; V353-L378 HydrophobicContact CG2-CB 4.21Å; V353-L378 HydrophobicContact CG2-CD1 4.35Å; V353-I381 HydrophobicContact CG2-CD1 3.76Å; V353-F1118 HydrophobicContact CG1-CE1 3.78Å; V353-F1118 HydrophobicContact CG1-CZ 4.46Å; V353-P1137 HydrophobicContact CG2-CB 4.28Å; V353-P1137 HydrophobicContact CG2-CG 4.29Å; V353-F1164 HydrophobicContact CB-CE1 4.38Å; V353-F1164 HydrophobicContact CB-CZ 3.8Å; V353-F1164 HydrophobicContact CG1-CE1 3.98Å; V353-F1164 HydrophobicContact CG1-CZ 3.55Å |
| 354 | M | 92.4 | Very high | 82.4 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 4% | 0.044 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 177 | -116.5 | -35.7 | -90.7 | 0 | 0 | 112.6 | C350 Q351 I352 G356 F357 L358 F1118 F1164 | C350-M354 PolarHBondContact O-N 3.04Å; Q351-M354 PolarHBondContact O-N 3.31Å; I352-M354 VanDerWaalsContact C-N 3.3Å; I352-M354 PolarHBondContact O-N 2.7Å; M354-G356 VanDerWaalsContact C-N 3.31Å; M354-G356 PolarHBondContact O-N 3.32Å; M354-F357 HydrophobicContact CE-CD1 3.98Å; M354-F357 WeakPolarHBondContact O-CB 3.47Å; M354-F357 PolarHBondContact O-N 2.96Å; M354-F357 HydrophobicContact SD-CB 4.12Å; M354-F357 HydrophobicContact SD-CD1 3.79Å; M354-F357 HydrophobicContact SD-CG 4.29Å; M354-L358 HydrophobicContact CE-CD1 3.74Å; M354-L358 HydrophobicContact CE-CD2 3.59Å; M354-L358 HydrophobicContact CE-CG 3.43Å; M354-L358 VanDerWaalsContact CE-CG 3.43Å; M354-L358 WeakPolarHBondContact O-CG 3.03Å; M354-L358 PolarHBondContact O-N 3.25Å; M354-F1118 HydrophobicContact SD-CB 3.97Å; M354-F1118 HydrophobicContact SD-CD1 4.15Å; M354-F1164 HydrophobicContact CB-CE2 4.42Å; M354-F1164 HydrophobicContact CG-CE2 4.01Å |
| 355 | D | 88.3 | Confident | 80.3 | Confident | 74 Ų | 74 | 51 Ų | 51 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 177.5 | -68.6 | -24.9 | 0 | 0 | 0 | 111.2 | Q351 I352 L358 S359 | Q351-D355 VanDerWaalsContact NE2-CG 3.35Å; Q351-D355 PolarHBondContact NE2-OD1 3.07Å; Q351-D355 PolarHBondContact NE2-OD2 2.82Å; Q351-D355 VanDerWaalsContact O-CG 3.23Å; Q351-D355 PolarHBondContact O-N 3.43Å; I352-D355 PolarHBondContact O-N 3.28Å; D355-L358 PolarHBondContact O-N 2.93Å; D355-S359 WeakPolarHBondContact O-CB 3.28Å; D355-S359 PolarHBondContact O-N 2.89Å |
| 356 | G | 84.7 | Confident | 77.8 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 11% | 0.113 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I352 V353 M354 S359 N360 L373 | I352-G356 PolarHBondContact O-N 3.44Å; V353-G356 PolarHBondContact O-N 2.89Å; M354-G356 VanDerWaalsContact C-N 3.31Å; M354-G356 PolarHBondContact O-N 3.32Å; G356-S359 PolarHBondContact O-N 3.15Å; G356-S359 PolarHBondContact O-OG 2.82Å; G356-N360 PolarHBondContact O-N 2.85Å; G356-L373 WeakPolarHBondContact O-CB 3.35Å |
| 357 | F | 86.3 | Confident | 75.1 | Confident | 15 Ų | 15 | 68 Ų | 68 | 7% | 0.066 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 174.9 | 176.8 | -99.1 | 0 | 0 | 0 | 113 | V353 M354 S359 N360 M361 F1118 I1120 | V353-F357 PolarHBondContact O-N 3.39Å; M354-F357 HydrophobicContact CE-CD1 3.98Å; M354-F357 WeakPolarHBondContact O-CB 3.47Å; M354-F357 PolarHBondContact O-N 2.96Å; M354-F357 HydrophobicContact SD-CB 4.12Å; M354-F357 HydrophobicContact SD-CD1 3.79Å; M354-F357 HydrophobicContact SD-CG 4.29Å; F357-S359 VanDerWaalsContact C-N 3.32Å; F357-S359 PolarHBondContact O-N 3.46Å; F357-N360 WeakPolarHBondContact O-CB 3.29Å; F357-N360 PolarHBondContact O-N 3.17Å; F357-M361 HydrophobicContact CE1-CE 3.96Å; F357-M361 HydrophobicContact CE1-CG 4.28Å; F357-M361 HydrophobicContact CZ-CE 3.57Å; F357-M361 HydrophobicContact CZ-CG 4.38Å; F357-M361 PolarHBondContact O-N 2.87Å; F357-F1118 HydrophobicContact CB-CD1 4.25Å; F357-F1118 HydrophobicContact CB-CG 4.23Å; F357-F1118 HydrophobicContact CD1-CB 3.54Å; F357-F1118 HydrophobicContact CD1-CG 4.12Å; F357-F1118 HydrophobicContact CD2-CB 3.85Å; F357-F1118 HydrophobicContact CD2-CD1 4.44Å; F357-F1118 AromaticContact CD2-CD2 3.45Å; F357-F1118 HydrophobicContact CD2-CD2 3.45Å; F357-F1118 VanDerWaalsContact CD2-CD2 3.45Å; F357-F1118 HydrophobicContact CD2-CE2 4.08Å; F357-F1118 AromaticContact CD2-CG 3.66Å; F357-F1118 HydrophobicContact CD2-CG 3.66Å; F357-F1118 HydrophobicContact CE1-CB 3.54Å; F357-F1118 HydrophobicContact CE1-CG 4.42Å; F357-F1118 HydrophobicContact CE2-CB 3.84Å; F357-F1118 AromaticContact CE2-CD2 3.62Å; F357-F1118 HydrophobicContact CE2-CD2 3.62Å; F357-F1118 AromaticContact CE2-CG 3.99Å; F357-F1118 HydrophobicContact CE2-CG 3.99Å; F357-F1118 HydrophobicContact CG-CB 3.69Å; F357-F1118 HydrophobicContact CG-CD1 4.23Å; F357-F1118 HydrophobicContact CG-CD2 4.02Å; F357-F1118 AromaticContact CG-CG 3.73Å; F357-F1118 HydrophobicContact CG-CG 3.73Å; F357-F1118 HydrophobicContact CZ-CB 3.69Å; F357-F1118 HydrophobicContact CZ-CD2 4.32Å; F357-F1118 HydrophobicContact CZ-CG 4.35Å; F357-I1120 HydrophobicContact CE2-CG1 4.13Å |
| 358 | L | 85.3 | Confident | 72.5 | Confident | 76 Ų | 76 | 69.8 Ų | 69.8 | 40% | 0.398 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.2 | -33.3 | 179.9 | -71.4 | 173.8 | 0 | 0 | 0 | 112.9 | M354 D355 N360 M361 K362 | M354-L358 HydrophobicContact CE-CD1 3.74Å; M354-L358 HydrophobicContact CE-CD2 3.59Å; M354-L358 HydrophobicContact CE-CG 3.43Å; M354-L358 VanDerWaalsContact CE-CG 3.43Å; M354-L358 WeakPolarHBondContact O-CG 3.03Å; M354-L358 PolarHBondContact O-N 3.25Å; D355-L358 PolarHBondContact O-N 2.93Å; L358-N360 VanDerWaalsContact C-N 3.32Å; L358-M361 PolarHBondContact O-N 3Å; L358-K362 PolarHBondContact O-N 3.43Å |
| 359 | S | 77.7 | Confident | 70.3 | Confident | 46 Ų | 46 | 72.8 Ų | 72.8 | 32% | 0.322 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 173.9 | 72.7 | 0 | 0 | 0 | 0 | 112 | D355 G356 F357 M361 K362 H363 | D355-S359 WeakPolarHBondContact O-CB 3.28Å; D355-S359 PolarHBondContact O-N 2.89Å; G356-S359 PolarHBondContact O-N 3.15Å; G356-S359 PolarHBondContact O-OG 2.82Å; F357-S359 VanDerWaalsContact C-N 3.32Å; F357-S359 PolarHBondContact O-N 3.46Å; S359-M361 VanDerWaalsContact C-N 3.34Å; S359-M361 PolarHBondContact O-N 2.91Å; S359-K362 PolarHBondContact O-N 2.99Å; S359-K362 VanDerWaalsContact O-N 3.16Å; S359-H363 PolarHBondContact O-CD2 3.19Å; S359-H363 PolarHBondContact O-N 3.1Å |
| 360 | N | 72.5 | Confident | 68.7 | Low | 53 Ų | 53 | 80.4 Ų | 80.4 | 28% | 0.283 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 178.6 | -154 | 18.4 | 0 | 0 | 0 | 111.5 | G356 F357 L358 K362 H363 N372 L373 | G356-N360 PolarHBondContact O-N 2.85Å; F357-N360 WeakPolarHBondContact O-CB 3.29Å; F357-N360 PolarHBondContact O-N 3.17Å; L358-N360 VanDerWaalsContact C-N 3.32Å; N360-K362 PolarHBondContact O-N 2.91Å; N360-H363 PolarHBondContact O-N 3.06Å; N360-N372 PolarHBondContact ND2-ND2 3.41Å; N360-N372 VanDerWaalsContact ND2-ND2 3.17Å; N360-L373 HydrophobicContact CB-CB 4.14Å; N360-L373 HydrophobicContact CB-CD1 4Å; N360-L373 HydrophobicContact CB-CG 4.43Å |
| 361 | M | 68.1 | Low | 67.3 | Low | 112 Ų | 112 | 83.2 Ų | 83.2 | 55% | 0.552 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.6 | -27.4 | 177 | -76.8 | -84.4 | -160.7 | 0 | 0 | 113.6 | F357 L358 S359 | F357-M361 HydrophobicContact CE1-CE 3.96Å; F357-M361 HydrophobicContact CE1-CG 4.28Å; F357-M361 HydrophobicContact CZ-CE 3.57Å; F357-M361 HydrophobicContact CZ-CG 4.38Å; F357-M361 PolarHBondContact O-N 2.87Å; L358-M361 PolarHBondContact O-N 3Å; S359-M361 VanDerWaalsContact C-N 3.34Å; S359-M361 PolarHBondContact O-N 2.91Å |
| 362 | K | 60.5 | Low | 66.8 | Low | 172 Ų | 172 | 83.2 Ų | 83.2 | 75% | 0.748 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -82.9 | -20.8 | -179.5 | -69.9 | 176.5 | -177.5 | 175.2 | 0 | 113.1 | L358 S359 N360 | L358-K362 PolarHBondContact O-N 3.43Å; S359-K362 PolarHBondContact O-N 2.99Å; S359-K362 VanDerWaalsContact O-N 3.16Å; N360-K362 PolarHBondContact O-N 2.91Å |
| 363 | H | 55.6 | Low | 66.3 | Low | 137 Ų | 137 | 84 Ų | 84 | 63% | 0.634 | 45% | 0.447 | S | S | * | . | trans | -112 | 63.5 | -177.1 | -69 | -70.2 | 0 | 0 | 0 | 111.1 | S359 N360 G365 | S359-H363 PolarHBondContact O-CD2 3.19Å; S359-H363 PolarHBondContact O-N 3.1Å; N360-H363 PolarHBondContact O-N 3.06Å; H363-G365 PolarHBondContact O-N 2.96Å | ||
| 364 | E | 45.9 | Very low | 66 | Low | 184 Ų | 184 | 84 Ų | 84 | 86% | 0.86 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 10.1 | 173.8 | -75.4 | -170 | 150.9 | 0 | 0 | 114.4 | ||
| 365 | G | 41.8 | Very low | 65.9 | Low | 67 Ų | 67 | 83.5 Ų | 83.5 | 69% | 0.691 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -3.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | H363 I367 | H363-G365 PolarHBondContact O-N 2.96Å; G365-I367 PolarHBondContact O-N 3.4Å |
| 366 | F | 35.8 | Very low | 65.9 | Low | 187 Ų | 187 | 85.4 Ų | 85.4 | 82% | 0.82 | 45% | 0.447 | S | S | * | . | trans | -102.6 | 75.7 | -179.4 | -137.5 | -95 | 0 | 0 | 0 | 111.7 | G368 | F366-G368 PolarHBondContact O-N 3.26Š| ||
| 367 | I | 33.7 | Very low | 66.1 | Low | 174 Ų | 174 | 85.5 Ų | 85.5 | 89% | 0.892 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 92.1 | 169.7 | -58.4 | 165.4 | 0 | 0 | 0 | 107.4 | G365 | G365-I367 PolarHBondContact O-N 3.4Š|
| 368 | G | 38.3 | Very low | 66.5 | Low | 61 Ų | 61 | 84.8 Ų | 84.8 | 63% | 0.629 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -175.1 | -23.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | F366 | F366-G368 PolarHBondContact O-N 3.26Š|
| 369 | S | 46.7 | Very low | 66.8 | Low | 83 Ų | 83 | 84 Ų | 84 | 58% | 0.58 | 43% | 0.434 | S | S | * | . | trans | -118.4 | 111.9 | 175.2 | 128.8 | 0 | 0 | 0 | 0 | 109.5 | I371 | S369-I371 PolarHBondContact O-N 2.86Å; S369-I371 PolarHBondContact OG-O 3.45Å | ||
| 370 | Y | 57.2 | Low | 67.3 | Low | 159 Ų | 159 | 83.1 Ų | 83.1 | 62% | 0.624 | 43% | 0.427 | S | S | * | . | trans | -65.2 | -2.2 | -179.7 | -74.1 | -95.6 | 0 | 0 | 0 | 114.1 | ||||
| 371 | I | 66.2 | Low | 68.2 | Low | 59 Ų | 59 | 80.9 Ų | 80.9 | 30% | 0.303 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -105.6 | 129.9 | -170 | -56 | 173 | 0 | 0 | 0 | 110.1 | S369 L373 W376 I1150 | S369-I371 PolarHBondContact O-N 2.86Å; S369-I371 PolarHBondContact OG-O 3.45Å; I371-L373 PolarHBondContact O-N 2.75Å; I371-W376 HydrophobicContact CG2-CB 4.14Å; I371-I1150 HydrophobicContact CG2-CG2 4.32Å |
| 372 | N | 82.3 | Confident | 69.5 | Low | 17 Ų | 17 | 75.6 Ų | 75.6 | 9% | 0.091 | 39% | 0.389 | C | S | . | . | trans | -69 | 126.6 | 174.3 | -176 | -77 | 0 | 0 | 0 | 111.3 | N360 G374 L375 W376 I1120 | N360-N372 PolarHBondContact ND2-ND2 3.41Å; N360-N372 VanDerWaalsContact ND2-ND2 3.17Å; N372-G374 PolarHBondContact O-N 2.66Å; N372-G374 WeakPolarHBondContact OD1-CA 3.37Å; N372-G374 PolarHBondContact OD1-N 2.76Å; N372-L375 HydrophobicContact CB-CD1 4.47Å; N372-L375 HydrophobicContact CB-CG 4.47Å; N372-L375 PolarHBondContact O-N 2.81Å; N372-L375 VanDerWaalsContact O-N 3.14Å; N372-L375 PolarHBondContact OD1-N 2.9Å; N372-W376 PolarHBondContact O-N 3.04Å; N372-I1120 HydrophobicContact CB-CD1 3.62Å; N372-I1120 VanDerWaalsContact CG-CD1 3.44Å | ||
| 373 | L | 80.2 | Confident | 71 | Confident | 67 Ų | 67 | 67.7 Ų | 67.7 | 35% | 0.351 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.3 | -28.6 | -178.3 | -72.9 | 164.8 | 0 | 0 | 0 | 113.9 | G356 N360 I371 S377 | G356-L373 WeakPolarHBondContact O-CB 3.35Å; N360-L373 HydrophobicContact CB-CB 4.14Å; N360-L373 HydrophobicContact CB-CD1 4Å; N360-L373 HydrophobicContact CB-CG 4.43Å; I371-L373 PolarHBondContact O-N 2.75Å; L373-S377 WeakPolarHBondContact O-CB 3.5Å; L373-S377 PolarHBondContact O-N 3.11Å; L373-S377 PolarHBondContact O-OG 3.45Å |
| 374 | G | 86.9 | Confident | 72.7 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.3 | -49.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | V353 N372 W376 S377 L378 | V353-G374 WeakPolarHBondContact CG1-O 3.34Å; N372-G374 PolarHBondContact O-N 2.66Å; N372-G374 WeakPolarHBondContact OD1-CA 3.37Å; N372-G374 PolarHBondContact OD1-N 2.76Å; G374-W376 VanDerWaalsContact C-N 3.31Å; G374-W376 PolarHBondContact O-N 3.22Å; G374-S377 PolarHBondContact O-N 3.32Å; G374-L378 PolarHBondContact O-N 3.13Å |
| 375 | L | 90 | Very high | 74.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 175 | -68.9 | 179 | 0 | 0 | 0 | 112 | N372 L378 R379 F1118 I1120 L1149 I1150 Q1153 V1162 | N372-L375 HydrophobicContact CB-CD1 4.47Å; N372-L375 HydrophobicContact CB-CG 4.47Å; N372-L375 PolarHBondContact O-N 2.81Å; N372-L375 VanDerWaalsContact O-N 3.14Å; N372-L375 PolarHBondContact OD1-N 2.9Å; L375-L378 WeakPolarHBondContact O-CB 3.33Å; L375-L378 PolarHBondContact O-N 3.11Å; L375-R379 PolarHBondContact O-N 3.24Å; L375-F1118 HydrophobicContact CD2-CE2 4.2Å; L375-F1118 HydrophobicContact CD2-CZ 4.09Å; L375-F1118 HydrophobicContact CG-CE2 4.4Å; L375-I1120 HydrophobicContact CD1-CD1 3.6Å; L375-I1120 HydrophobicContact CG-CD1 3.78Å; L375-L1149 HydrophobicContact CD2-CB 4.23Å; L375-L1149 HydrophobicContact CD2-CD1 4.32Å; L375-I1150 HydrophobicContact CB-CD1 4.39Å; L375-I1150 HydrophobicContact CB-CG1 3.82Å; L375-I1150 HydrophobicContact CD1-CG1 4.43Å; L375-Q1153 HydrophobicContact CD1-CB 4.3Å; L375-Q1153 HydrophobicContact CD1-CG 4.35Å; L375-V1162 HydrophobicContact CD2-CG2 4Å |
| 376 | W | 87.9 | Confident | 77 | Confident | 113 Ų | 113 | 50.2 Ų | 50.2 | 43% | 0.428 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 175 | -175.7 | 92.9 | 0 | 0 | 0 | 111.9 | I371 N372 G374 L378 R379 D380 | I371-W376 HydrophobicContact CG2-CB 4.14Å; N372-W376 PolarHBondContact O-N 3.04Å; G374-W376 VanDerWaalsContact C-N 3.31Å; G374-W376 PolarHBondContact O-N 3.22Å; W376-L378 VanDerWaalsContact C-N 3.34Å; W376-L378 PolarHBondContact O-N 3.46Å; W376-R379 WeakPolarHBondContact O-CB 3.32Å; W376-R379 PolarHBondContact O-N 3.06Å; W376-R379 VanDerWaalsContact O-N 3.16Å; W376-D380 HydrophobicContact CH2-CB 4.38Å; W376-D380 HydrophobicContact CZ3-CB 4.33Å; W376-D380 PolarHBondContact O-N 3.12Å |
| 377 | S | 89.3 | Confident | 79.3 | Confident | 14 Ų | 14 | 41.7 Ų | 41.7 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.5 | -40.6 | 176.7 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | L373 G374 R379 D380 I381 | L373-S377 WeakPolarHBondContact O-CB 3.5Å; L373-S377 PolarHBondContact O-N 3.11Å; L373-S377 PolarHBondContact O-OG 3.45Å; G374-S377 PolarHBondContact O-N 3.32Å; S377-R379 VanDerWaalsContact C-N 3.31Å; S377-R379 PolarHBondContact O-N 3.42Å; S377-D380 PolarHBondContact O-N 2.9Å; S377-I381 WeakPolarHBondContact O-CB 3.5Å; S377-I381 WeakPolarHBondContact O-CD1 3.36Å; S377-I381 VanDerWaalsContact O-CG1 3.31Å; S377-I381 WeakPolarHBondContact O-CG1 3.31Å; S377-I381 PolarHBondContact O-N 2.91Å |
| 378 | L | 93.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.9 | -43.1 | 173.2 | 178.8 | 64.3 | 0 | 0 | 0 | 111.3 | V353 G374 L375 W376 S382 I1135 P1137 | V353-L378 HydrophobicContact CG1-CB 4.03Å; V353-L378 HydrophobicContact CG2-CB 4.21Å; V353-L378 HydrophobicContact CG2-CD1 4.35Å; G374-L378 PolarHBondContact O-N 3.13Å; L375-L378 WeakPolarHBondContact O-CB 3.33Å; L375-L378 PolarHBondContact O-N 3.11Å; W376-L378 VanDerWaalsContact C-N 3.34Å; W376-L378 PolarHBondContact O-N 3.46Å; L378-S382 WeakPolarHBondContact O-CB 3.46Å; L378-S382 PolarHBondContact O-N 3.43Å; L378-S382 VanDerWaalsContact O-N 3.11Å; L378-S382 PolarHBondContact O-OG 3.37Å; L378-I1135 HydrophobicContact CD1-CG2 4.47Å; L378-I1135 HydrophobicContact CD2-CG2 4.47Å; L378-P1137 HydrophobicContact CD1-CB 3.71Å; L378-P1137 HydrophobicContact CD1-CG 3.85Å |
| 379 | R | 92.3 | Very high | 83.9 | Confident | 58 Ų | 58 | 32.5 Ų | 32.5 | 22% | 0.219 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.5 | -51 | 176.2 | -172.3 | -177.1 | 62.9 | 176.3 | 3.9 | 112 | L375 W376 S377 I381 S382 Q383 S1146 H1147 I1150 | L375-R379 PolarHBondContact O-N 3.24Å; W376-R379 WeakPolarHBondContact O-CB 3.32Å; W376-R379 PolarHBondContact O-N 3.06Å; W376-R379 VanDerWaalsContact O-N 3.16Å; S377-R379 VanDerWaalsContact C-N 3.31Å; S377-R379 PolarHBondContact O-N 3.42Å; R379-I381 PolarHBondContact O-N 3.5Å; R379-S382 PolarHBondContact O-N 3.18Å; R379-S382 PolarHBondContact O-OG 3.09Å; R379-Q383 VanDerWaalsContact CG-CD 3.46Å; R379-Q383 HydrophobicContact CG-CG 4.07Å; R379-Q383 WeakPolarHBondContact O-CB 3.34Å; R379-Q383 WeakPolarHBondContact O-CG 3.43Å; R379-Q383 PolarHBondContact O-N 3.46Å; R379-S1146 WeakPolarHBondContact CA-OG 3.36Å; R379-H1147 PolarHBondContact NH1-ND1 2.88Å; R379-I1150 HydrophobicContact CB-CD1 3.92Å; R379-I1150 HydrophobicContact CG-CD1 4.4Å |
| 380 | D | 88.9 | Confident | 85.5 | Confident | 29 Ų | 29 | 30 Ų | 30 | 16% | 0.155 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.6 | -46.1 | -178.4 | -179.7 | 60.1 | 0 | 0 | 0 | 111.6 | W376 S377 N384 R388 | W376-D380 HydrophobicContact CH2-CB 4.38Å; W376-D380 HydrophobicContact CZ3-CB 4.33Å; W376-D380 PolarHBondContact O-N 3.12Å; S377-D380 PolarHBondContact O-N 2.9Å; D380-N384 VanDerWaalsContact O-CB 3.28Å; D380-N384 WeakPolarHBondContact O-CB 3.37Å; D380-N384 PolarHBondContact O-N 3Å; D380-N384 PolarHBondContact O-ND2 2.67Å; D380-N384 PolarHBondContact OD1-ND2 3.05Å; D380-R388 IonicContact OD1-CZ 2.84Å; D380-R388 IonicContact OD1-NE 2.75Å; D380-R388 IonicContact OD1-NH2 2.61Å; D380-R388 PolarHBondContact OD1-NH2 2.82Å; D380-R388 IonicContact OD2-CZ 3.86Å; D380-R388 IonicContact OD2-NE 3.76Å; D380-R388 PolarHBondContact OD2-NE 2.87Å; D380-R388 IonicContact OD2-NH2 2.68Å |
| 381 | I | 91.3 | Very high | 86.5 | Confident | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.6 | -50.3 | -179.3 | -69.3 | 165.4 | 0 | 0 | 0 | 111.3 | A349 I352 V353 S377 R379 L385 L392 | A349-I381 HydrophobicContact CB-CG2 3.97Å; I352-I381 HydrophobicContact CB-CD1 3.76Å; I352-I381 HydrophobicContact CD1-CD1 4.45Å; I352-I381 HydrophobicContact CG2-CD1 3.72Å; V353-I381 HydrophobicContact CG2-CD1 3.76Å; S377-I381 WeakPolarHBondContact O-CB 3.5Å; S377-I381 WeakPolarHBondContact O-CD1 3.36Å; S377-I381 VanDerWaalsContact O-CG1 3.31Å; S377-I381 WeakPolarHBondContact O-CG1 3.31Å; S377-I381 PolarHBondContact O-N 2.91Å; R379-I381 PolarHBondContact O-N 3.5Å; I381-L385 HydrophobicContact CG2-CD1 3.86Å; I381-L385 WeakPolarHBondContact O-CA 3.32Å; I381-L385 VanDerWaalsContact O-CB 3.27Å; I381-L385 WeakPolarHBondContact O-CB 3.36Å; I381-L385 PolarHBondContact O-N 2.77Å; I381-L392 HydrophobicContact CG2-CD1 4.12Å |
| 382 | S | 94.2 | Very high | 87.4 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.007 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66 | -44.9 | -177.2 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | L378 R379 P1137 A1142 Q1143 S1146 | L378-S382 WeakPolarHBondContact O-CB 3.46Å; L378-S382 PolarHBondContact O-N 3.43Å; L378-S382 VanDerWaalsContact O-N 3.11Å; L378-S382 PolarHBondContact O-OG 3.37Å; R379-S382 PolarHBondContact O-N 3.18Å; R379-S382 PolarHBondContact O-OG 3.09Å; S382-P1137 WeakPolarHBondContact CB-O 3.45Å; S382-A1142 PolarHBondContact OG-O 3.01Å; S382-Q1143 WeakPolarHBondContact O-CG 3.35Å; S382-Q1143 PolarHBondContact O-NE2 2.85Å; S382-S1146 PolarHBondContact OG-OG 3.03Å |
| 383 | Q | 93 | Very high | 87.4 | Confident | 5 Ų | 5 | 22.8 Ų | 22.8 | 2% | 0.023 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -79.1 | -22.1 | -174.4 | -70 | -168.7 | -4.7 | 0 | 0 | 114.6 | R379 Q1143 F1178 Y1179 | R379-Q383 VanDerWaalsContact CG-CD 3.46Å; R379-Q383 HydrophobicContact CG-CG 4.07Å; R379-Q383 WeakPolarHBondContact O-CB 3.34Å; R379-Q383 WeakPolarHBondContact O-CG 3.43Å; R379-Q383 PolarHBondContact O-N 3.46Å; Q383-Q1143 HydrophobicContact CG-CB 4.41Å; Q383-Q1143 PolarHBondContact NE2-O 2.75Å; Q383-F1178 WeakPolarHBondContact O-CA 3.43Å; Q383-Y1179 VanDerWaalsContact CB-O 3.25Å; Q383-Y1179 WeakPolarHBondContact CB-O 3.39Å; Q383-Y1179 HydrophobicContact CG-CD1 4.3Å; Q383-Y1179 WeakPolarHBondContact CG-O 3.34Å; Q383-Y1179 PolarHBondContact O-N 2.75Å; Q383-Y1179 PolarHBondContact OE1-O 3.43Å |
| 384 | N | 91.1 | Very high | 87.4 | Confident | 13 Ų | 13 | 24 Ų | 24 | 7% | 0.07 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | 22.5 | 179.4 | -55.4 | -48.2 | 0 | 0 | 0 | 112.4 | D380 P386 A387 R388 F1178 R1180 | D380-N384 VanDerWaalsContact O-CB 3.28Å; D380-N384 WeakPolarHBondContact O-CB 3.37Å; D380-N384 PolarHBondContact O-N 3Å; D380-N384 PolarHBondContact O-ND2 2.67Å; D380-N384 PolarHBondContact OD1-ND2 3.05Å; N384-P386 VanDerWaalsContact C-N 3.31Å; N384-P386 VanDerWaalsContact O-N 3.12Å; N384-A387 PolarHBondContact O-N 2.69Å; N384-R388 HydrophobicContact CB-CG 4.19Å; N384-R388 WeakPolarHBondContact O-CG 3.44Å; N384-R388 PolarHBondContact O-N 3.15Å; N384-R388 VanDerWaalsContact O-N 3.11Å; N384-F1178 HydrophobicContact CB-CD1 4.46Å; N384-R1180 PolarHBondContact ND2-NH2 3.38Å; N384-R1180 VanDerWaalsContact OD1-CZ 3.32Å; N384-R1180 PolarHBondContact OD1-NH1 2.92Å; N384-R1180 PolarHBondContact OD1-NH2 3Å |
| 385 | L | 90.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -49.1 | -43.2 | -171.6 | -167.1 | 70.2 | 0 | 0 | 0 | 113.9 | I381 A387 R388 A389 L392 A1138 L1173 P1174 V1175 | I381-L385 HydrophobicContact CG2-CD1 3.86Å; I381-L385 WeakPolarHBondContact O-CA 3.32Å; I381-L385 VanDerWaalsContact O-CB 3.27Å; I381-L385 WeakPolarHBondContact O-CB 3.36Å; I381-L385 PolarHBondContact O-N 2.77Å; L385-A387 VanDerWaalsContact C-N 3.32Å; L385-A387 PolarHBondContact O-N 3.02Å; L385-R388 CarbonylContact O-C 3.57Å; L385-R388 PolarHBondContact O-N 3.46Å; L385-A389 WeakPolarHBondContact O-CB 3.4Å; L385-A389 PolarHBondContact O-N 2.64Å; L385-L392 HydrophobicContact CD1-CD1 3.57Å; L385-A1138 HydrophobicContact CD2-CB 4.2Å; L385-L1173 HydrophobicContact CD2-CD1 4.41Å; L385-P1174 HydrophobicContact CD2-CG 3.95Å; L385-V1175 HydrophobicContact CB-CB 4.4Å; L385-V1175 HydrophobicContact CD2-CB 3.78Å; L385-V1175 HydrophobicContact CD2-CG2 4.23Å |
| 386 | P | 87.5 | Confident | 87.1 | Confident | 9 Ų | 9 | 31.8 Ų | 31.8 | 6% | 0.058 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.3 | -43.2 | 179.2 | -26.1 | 35.5 | 0 | 0 | 0 | 113.6 | L268 L334 N384 F1178 | L268-P386 HydrophobicContact CD1-CB 3.74Å; L268-P386 HydrophobicContact CD1-CG 4.11Å; L334-P386 VanDerWaalsContact CD2-C 3.43Å; L334-P386 HydrophobicContact CD2-CB 3.91Å; L334-P386 WeakPolarHBondContact CD2-O 3.45Å; N384-P386 VanDerWaalsContact C-N 3.31Å; N384-P386 VanDerWaalsContact O-N 3.12Å; P386-F1178 HydrophobicContact CB-CE2 4.41Å; P386-F1178 HydrophobicContact CB-CZ 4.13Å |
| 387 | A | 84.5 | Confident | 87.1 | Confident | 7 Ų | 7 | 27.9 Ų | 27.9 | 6% | 0.058 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -76.5 | -22.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | N384 L385 F1178 | N384-A387 PolarHBondContact O-N 2.69Å; L385-A387 VanDerWaalsContact C-N 3.32Å; L385-A387 PolarHBondContact O-N 3.02Å; A387-F1178 HydrophobicContact CB-CE1 3.8Å; A387-F1178 HydrophobicContact CB-CZ 4.19Å |
| 388 | R | 84.7 | Confident | 87.2 | Confident | 40 Ų | 40 | 31 Ų | 31 | 15% | 0.151 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -91.1 | -19.2 | -179.9 | -58.8 | -57.7 | -177.4 | -115.3 | -5.5 | 113.8 | D332 D380 N384 L385 S390 R391 L392 | D332-R388 IonicContact OD1-NH1 2.72Å; D380-R388 IonicContact OD1-CZ 2.84Å; D380-R388 IonicContact OD1-NE 2.75Å; D380-R388 IonicContact OD1-NH2 2.61Å; D380-R388 PolarHBondContact OD1-NH2 2.82Å; D380-R388 IonicContact OD2-CZ 3.86Å; D380-R388 IonicContact OD2-NE 3.76Å; D380-R388 PolarHBondContact OD2-NE 2.87Å; D380-R388 IonicContact OD2-NH2 2.68Å; N384-R388 HydrophobicContact CB-CG 4.19Å; N384-R388 WeakPolarHBondContact O-CG 3.44Å; N384-R388 PolarHBondContact O-N 3.15Å; N384-R388 VanDerWaalsContact O-N 3.11Å; L385-R388 CarbonylContact O-C 3.57Å; L385-R388 PolarHBondContact O-N 3.46Å; R388-S390 VanDerWaalsContact C-N 3.35Å; R388-S390 PolarHBondContact O-N 3.01Å; R388-R391 WeakPolarHBondContact O-CB 3.43Å; R388-R391 PolarHBondContact O-N 2.96Å; R388-L392 HydrophobicContact CB-CD1 4.32Å; R388-L392 PolarHBondContact O-N 2.91Å |
| 389 | A | 84.9 | Confident | 87.1 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.3 | -44.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L337 L385 R391 L392 V393 L1173 | L337-A389 HydrophobicContact CD1-CB 3.75Å; L385-A389 WeakPolarHBondContact O-CB 3.4Å; L385-A389 PolarHBondContact O-N 2.64Å; A389-R391 VanDerWaalsContact C-N 3.26Å; A389-R391 PolarHBondContact O-N 2.84Å; A389-L392 PolarHBondContact O-N 2.79Å; A389-V393 WeakPolarHBondContact O-CG2 3.38Å; A389-V393 PolarHBondContact O-N 2.92Å; A389-L1173 HydrophobicContact CB-CD1 3.78Å |
| 390 | S | 80 | Confident | 87.1 | Confident | 32 Ų | 32 | 34.3 Ų | 34.3 | 22% | 0.224 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -31.2 | 179.4 | 64.4 | 0 | 0 | 0 | 0 | 113.1 | R388 | R388-S390 VanDerWaalsContact C-N 3.35Å; R388-S390 PolarHBondContact O-N 3.01Å |
| 391 | R | 78 | Confident | 87.3 | Confident | 59 Ų | 59 | 33.1 Ų | 33.1 | 22% | 0.223 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -76.1 | -41.3 | 177 | -57.7 | -178.3 | -171.5 | 172.6 | 3.5 | 110.8 | L328 T329 D331 D332 R388 A389 V393 N394 | L328-R391 PolarHBondContact O-NE 3.2Å; L328-R391 PolarHBondContact O-NH2 3.11Å; T329-R391 PolarHBondContact O-NH2 3.33Å; D331-R391 PolarHBondContact O-NH2 2.92Å; D331-R391 VanDerWaalsContact O-NH2 3.13Å; D332-R391 IonicContact OD1-NH2 3.13Å; R388-R391 WeakPolarHBondContact O-CB 3.43Å; R388-R391 PolarHBondContact O-N 2.96Å; A389-R391 VanDerWaalsContact C-N 3.26Å; A389-R391 PolarHBondContact O-N 2.84Å; R391-V393 VanDerWaalsContact C-N 3.31Å; R391-V393 PolarHBondContact O-N 2.92Å; R391-N394 PolarHBondContact O-N 3.01Å |
| 392 | L | 84.5 | Confident | 87.3 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.3 | -39.2 | 179.3 | -76.7 | 164.4 | 0 | 0 | 0 | 112.8 | L345 Q348 A349 I352 I381 L385 R388 A389 N394 V395 | L345-L392 HydrophobicContact CD1-CB 3.58Å; L345-L392 HydrophobicContact CD1-CD1 4.11Å; L345-L392 HydrophobicContact CD1-CG 4.48Å; Q348-L392 WeakPolarHBondContact CB-O 3.42Å; Q348-L392 PolarHBondContact NE2-O 3.02Å; Q348-L392 PolarHBondContact OE1-O 3.43Å; A349-L392 HydrophobicContact CB-CD2 4.02Å; I352-L392 HydrophobicContact CD1-CD2 3.36Å; I352-L392 HydrophobicContact CD1-CG 4.26Å; I352-L392 HydrophobicContact CG1-CD2 4.03Å; I381-L392 HydrophobicContact CG2-CD1 4.12Å; L385-L392 HydrophobicContact CD1-CD1 3.57Å; R388-L392 HydrophobicContact CB-CD1 4.32Å; R388-L392 PolarHBondContact O-N 2.91Å; A389-L392 PolarHBondContact O-N 2.79Å; L392-N394 PolarHBondContact O-N 3.43Å; L392-N394 VanDerWaalsContact O-N 3.09Å; L392-V395 WeakPolarHBondContact O-CB 3.37Å; L392-V395 PolarHBondContact O-N 3.26Å |
| 393 | V | 82.7 | Confident | 87.3 | Confident | 23 Ų | 23 | 42.2 Ų | 42.2 | 14% | 0.139 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -28.2 | -179.6 | 172 | 0 | 0 | 0 | 0 | 112.8 | L337 Q341 L345 Q348 A389 R391 V395 | L337-V393 HydrophobicContact CD1-CG2 4.41Å; L337-V393 HydrophobicContact CD2-CG2 4.35Å; Q341-V393 HydrophobicContact CB-CG1 4.02Å; Q341-V393 HydrophobicContact CB-CG2 4.09Å; Q341-V393 HydrophobicContact CG-CG1 4.22Å; L345-V393 HydrophobicContact CD1-CG2 4.23Å; Q348-V393 PolarHBondContact NE2-O 3.49Å; A389-V393 WeakPolarHBondContact O-CG2 3.38Å; A389-V393 PolarHBondContact O-N 2.92Å; R391-V393 VanDerWaalsContact C-N 3.31Å; R391-V393 PolarHBondContact O-N 2.92Å; V393-V395 VanDerWaalsContact C-N 3.35Å |
| 394 | N | 80.3 | Confident | 87.3 | Confident | 92 Ų | 92 | 42.8 Ų | 42.8 | 49% | 0.492 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 0.2 | -179.3 | -61.7 | -34.7 | 0 | 0 | 0 | 113.6 | R391 L392 | R391-N394 PolarHBondContact O-N 3.01Å; L392-N394 PolarHBondContact O-N 3.43Å; L392-N394 VanDerWaalsContact O-N 3.09Å |
| 395 | V | 85 | Confident | 87.4 | Confident | 32 Ų | 32 | 42.3 Ų | 42.3 | 19% | 0.194 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -83.3 | 128.5 | -179 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | Q348 Q351 I352 L392 V393 | Q348-V395 HydrophobicContact CB-CB 4.34Å; Q348-V395 WeakPolarHBondContact CG-O 3.45Å; Q348-V395 PolarHBondContact NE2-O 2.53Å; Q351-V395 HydrophobicContact CB-CG1 4.12Å; Q351-V395 HydrophobicContact CG-CG1 3.89Å; I352-V395 HydrophobicContact CD1-CG2 3.76Å; I352-V395 HydrophobicContact CG1-CB 4.47Å; I352-V395 HydrophobicContact CG1-CG1 4.12Å; I352-V395 HydrophobicContact CG1-CG2 3.83Å; L392-V395 WeakPolarHBondContact O-CB 3.37Å; L392-V395 PolarHBondContact O-N 3.26Å; V393-V395 VanDerWaalsContact C-N 3.35Å |
| 396 | N | 86.7 | Confident | 87.5 | Confident | 131 Ų | 131 | 45.5 Ų | 45.5 | 70% | 0.701 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -82 | 121.7 | 175.5 | -71.3 | -17 | 0 | 0 | 0 | 110.3 | ||
| 397 | V | 87.3 | Confident | 87.8 | Confident | 31 Ų | 31 | 51.6 Ų | 51.6 | 19% | 0.188 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 127.1 | 178.7 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | L347 Q348 L401 | L347-V397 HydrophobicContact CB-CG1 4.28Å; L347-V397 HydrophobicContact CB-CG2 4.08Å; Q348-V397 HydrophobicContact CB-CG2 4.37Å; Q348-V397 HydrophobicContact CG-CG2 3.64Å; V397-L401 HydrophobicContact CG1-CD2 4.04Å |
| 398 | N | 90.7 | Very high | 88.3 | Confident | 81 Ų | 81 | 51.3 Ų | 51.3 | 43% | 0.433 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 137.1 | 176.9 | -166.6 | -5.4 | 0 | 0 | 0 | 111.4 | S400 L401 R402 | N398-S400 PolarHBondContact O-N 2.63Å; N398-L401 WeakPolarHBondContact O-CB 3.49Å; N398-L401 PolarHBondContact O-N 2.8Å; N398-L401 VanDerWaalsContact O-N 3.08Å; N398-R402 PolarHBondContact O-N 3.08Å |
| 399 | S | 90.8 | Very high | 88.7 | Confident | 85 Ų | 85 | 50.9 Ų | 50.9 | 59% | 0.594 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.8 | -33.1 | -180 | 65.2 | 0 | 0 | 0 | 0 | 113.2 | L401 R402 T403 | S399-L401 PolarHBondContact O-N 2.77Å; S399-R402 PolarHBondContact O-N 3.17Å; S399-T403 WeakPolarHBondContact O-CG2 3.5Å; S399-T403 PolarHBondContact O-N 2.89Å; S399-T403 PolarHBondContact O-OG1 2.87Å |
| 400 | S | 92.9 | Very high | 89.1 | Confident | 41 Ų | 41 | 57.9 Ų | 57.9 | 29% | 0.287 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 174.6 | -56 | 0 | 0 | 0 | 0 | 112.5 | N398 T403 E404 | N398-S400 PolarHBondContact O-N 2.63Å; S400-T403 WeakPolarHBondContact CA-OG1 3.39Å; S400-T403 PolarHBondContact O-OG1 3.04Å; S400-T403 VanDerWaalsContact O-OG1 3.04Å; S400-E404 VanDerWaalsContact O-CB 3.3Å; S400-E404 WeakPolarHBondContact O-CB 3.3Å; S400-E404 PolarHBondContact O-N 2.8Å |
| 401 | L | 92.7 | Very high | 89.6 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.2 | -46 | 177.2 | -176.9 | 154.9 | 0 | 0 | 0 | 110.6 | L347 C350 Q351 V397 N398 S399 E404 S405 H1115 | L347-L401 HydrophobicContact CD2-CD2 3.93Å; C350-L401 HydrophobicContact CB-CD1 4.31Å; C350-L401 HydrophobicContact CB-CD2 4.34Å; Q351-L401 HydrophobicContact CB-CD1 4.36Å; V397-L401 HydrophobicContact CG1-CD2 4.04Å; N398-L401 WeakPolarHBondContact O-CB 3.49Å; N398-L401 PolarHBondContact O-N 2.8Å; N398-L401 VanDerWaalsContact O-N 3.08Å; S399-L401 PolarHBondContact O-N 2.77Å; L401-E404 PolarHBondContact O-N 3.26Å; L401-S405 WeakPolarHBondContact O-CB 3.24Å; L401-S405 PolarHBondContact O-N 2.56Å; L401-H1115 HydrophobicContact CB-CB 4.26Å; L401-H1115 WeakPolarHBondContact CD1-O 2.89Å; L401-H1115 WeakPolarHBondContact CG-O 3.26Å |
| 402 | R | 91.7 | Very high | 90.1 | Very high | 104 Ų | 104 | 54.8 Ų | 54.8 | 39% | 0.392 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | -179.7 | -178.3 | 175.4 | -96.7 | 153.2 | -8.2 | 112.2 | D344 N398 S399 S406 | D344-R402 IonicContact OD1-NH2 3.47Å; D344-R402 PolarHBondContact OD1-NH2 2.96Å; D344-R402 IonicContact OD2-CZ 3.04Å; D344-R402 IonicContact OD2-NH2 3.7Å; D344-R402 PolarHBondContact OD2-NH2 3.45Å; N398-R402 PolarHBondContact O-N 3.08Å; S399-R402 PolarHBondContact O-N 3.17Å; R402-S406 WeakPolarHBondContact O-CB 3.46Å; R402-S406 PolarHBondContact O-N 3.14Å; R402-S406 VanDerWaalsContact O-N 3.1Å; R402-S406 PolarHBondContact O-OG 2.9Å |
| 403 | T | 93.8 | Very high | 90.2 | Very high | 95 Ų | 95 | 57 Ų | 57 | 58% | 0.583 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -68.3 | -43.3 | 179.3 | 50.3 | 0 | 0 | 0 | 0 | 112.2 | S399 S400 S406 K407 | S399-T403 WeakPolarHBondContact O-CG2 3.5Å; S399-T403 PolarHBondContact O-N 2.89Å; S399-T403 PolarHBondContact O-OG1 2.87Å; S400-T403 WeakPolarHBondContact CA-OG1 3.39Å; S400-T403 PolarHBondContact O-OG1 3.04Å; S400-T403 VanDerWaalsContact O-OG1 3.04Å; T403-S406 PolarHBondContact O-N 3.26Å; T403-K407 PolarHBondContact O-N 2.72Å; T403-K407 VanDerWaalsContact O-N 3.11Å |
| 404 | E | 94.8 | Very high | 90.1 | Very high | 17 Ų | 17 | 59.1 Ų | 59.1 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 177.2 | -166.4 | -179 | 148.1 | 0 | 0 | 112.1 | S400 L401 S406 K407 N408 S1112 Y1113 N1114 H1115 S1116 | S400-E404 VanDerWaalsContact O-CB 3.3Å; S400-E404 WeakPolarHBondContact O-CB 3.3Å; S400-E404 PolarHBondContact O-N 2.8Å; L401-E404 PolarHBondContact O-N 3.26Å; E404-S406 VanDerWaalsContact C-N 3.34Å; E404-S406 PolarHBondContact O-N 3.1Å; E404-K407 PolarHBondContact O-N 3.15Å; E404-N408 PolarHBondContact O-N 3.47Å; E404-S1112 VanDerWaalsContact OE1-CB 3.23Å; E404-S1112 WeakPolarHBondContact OE1-CB 3.43Å; E404-S1112 VanDerWaalsContact OE1-O 3.12Å; E404-S1112 PolarHBondContact OE1-OG 3.36Å; E404-Y1113 PolarHBondContact OE1-N 2.82Å; E404-N1114 PolarHBondContact OE1-N 3.27Å; E404-H1115 PolarHBondContact OE1-N 2.77Å; E404-H1115 VanDerWaalsContact OE2-CB 3.27Å; E404-H1115 WeakPolarHBondContact OE2-CB 3.43Å; E404-H1115 IonicContact OE2-CE1 3.77Å; E404-H1115 IonicContact OE2-CG 3.74Å; E404-H1115 PolarHBondContact OE2-N 2.96Å; E404-H1115 IonicContact OE2-ND1 2.97Å; E404-H1115 PolarHBondContact OE2-ND1 3.17Å; E404-S1116 WeakPolarHBondContact CG-OG 3.31Å; E404-S1116 PolarHBondContact OE1-OG 3.19Å |
| 405 | S | 92.7 | Very high | 90.1 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 176.1 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | L401 K407 N408 Q409 P1166 | L401-S405 WeakPolarHBondContact O-CB 3.24Å; L401-S405 PolarHBondContact O-N 2.56Å; S405-K407 VanDerWaalsContact C-N 3.34Å; S405-K407 PolarHBondContact O-N 3.17Å; S405-N408 PolarHBondContact O-N 3.18Å; S405-Q409 WeakPolarHBondContact O-CB 3.37Å; S405-Q409 WeakPolarHBondContact O-CG 3.4Å; S405-Q409 PolarHBondContact O-N 2.93Å; S405-P1166 WeakPolarHBondContact OG-CD 3.4Å; S405-P1166 WeakPolarHBondContact OG-CG 3.29Å |
| 406 | S | 92.5 | Very high | 89.8 | Confident | 68 Ų | 68 | 60.9 Ų | 60.9 | 48% | 0.476 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 176.9 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | R402 T403 E404 Q409 H410 | R402-S406 WeakPolarHBondContact O-CB 3.46Å; R402-S406 PolarHBondContact O-N 3.14Å; R402-S406 VanDerWaalsContact O-N 3.1Å; R402-S406 PolarHBondContact O-OG 2.9Å; T403-S406 PolarHBondContact O-N 3.26Å; E404-S406 VanDerWaalsContact C-N 3.34Å; E404-S406 PolarHBondContact O-N 3.1Å; S406-Q409 PolarHBondContact O-N 3.14Å; S406-H410 PolarHBondContact O-N 2.92Å; S406-H410 VanDerWaalsContact O-N 3.11Å |
| 407 | K | 94.2 | Very high | 89.5 | Confident | 137 Ų | 137 | 56.7 Ų | 56.7 | 60% | 0.596 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.2 | -46 | 176.3 | -176.8 | -176.4 | 177.1 | -175.3 | 0 | 111.5 | T403 E404 S405 Q409 H410 V411 | T403-K407 PolarHBondContact O-N 2.72Å; T403-K407 VanDerWaalsContact O-N 3.11Å; E404-K407 PolarHBondContact O-N 3.15Å; S405-K407 VanDerWaalsContact C-N 3.34Å; S405-K407 PolarHBondContact O-N 3.17Å; K407-Q409 VanDerWaalsContact C-N 3.35Å; K407-H410 WeakPolarHBondContact O-CB 3.22Å; K407-H410 PolarHBondContact O-N 3.14Å; K407-V411 PolarHBondContact O-N 2.97Å |
| 408 | N | 94.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.3 | -43 | 177.7 | -77 | -19.5 | 0 | 0 | 0 | 111.1 | E404 S405 H410 V411 L412 V1111 S1112 S1116 L1163 | E404-N408 PolarHBondContact O-N 3.47Å; S405-N408 PolarHBondContact O-N 3.18Å; N408-H410 VanDerWaalsContact C-N 3.31Å; N408-H410 PolarHBondContact O-N 3.41Å; N408-V411 PolarHBondContact O-N 3.23Å; N408-V411 VanDerWaalsContact O-N 3.09Å; N408-L412 WeakPolarHBondContact O-CB 2.96Å; N408-L412 VanDerWaalsContact O-CG 3.25Å; N408-L412 WeakPolarHBondContact O-CG 3.21Å; N408-L412 PolarHBondContact O-N 3.44Å; N408-V1111 WeakPolarHBondContact OD1-CA 3.24Å; N408-S1112 PolarHBondContact ND2-O 2.88Å; N408-S1112 PolarHBondContact OD1-N 3.03Å; N408-S1116 PolarHBondContact ND2-OG 3.29Å; N408-L1163 WeakPolarHBondContact ND2-CD1 3.22Å |
| 409 | Q | 92.7 | Very high | 89.4 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 15% | 0.15 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.8 | -39.5 | 175.3 | -77.5 | -178.8 | -23.7 | 0 | 0 | 113 | S405 S406 K407 V411 L412 T413 N1165 P1166 | S405-Q409 WeakPolarHBondContact O-CB 3.37Å; S405-Q409 WeakPolarHBondContact O-CG 3.4Å; S405-Q409 PolarHBondContact O-N 2.93Å; S406-Q409 PolarHBondContact O-N 3.14Å; K407-Q409 VanDerWaalsContact C-N 3.35Å; Q409-V411 VanDerWaalsContact C-N 3.35Å; Q409-V411 PolarHBondContact O-N 2.86Å; Q409-L412 PolarHBondContact O-N 2.98Å; Q409-T413 VanDerWaalsContact O-CB 3.31Å; Q409-T413 WeakPolarHBondContact O-CB 3.23Å; Q409-T413 PolarHBondContact O-N 3.39Å; Q409-T413 PolarHBondContact O-OG1 3.12Å; Q409-N1165 WeakPolarHBondContact CG-OD1 2.98Å; Q409-N1165 PolarHBondContact NE2-OD1 3.34Å; Q409-P1166 PolarHBondContact NE2-O 3.01Å |
| 410 | H | 92.8 | Very high | 89.4 | Confident | 148 Ų | 148 | 54.5 Ų | 54.5 | 69% | 0.685 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.3 | -41.5 | 174.5 | -174 | -69.6 | 0 | 0 | 0 | 112 | S406 K407 N408 G414 | S406-H410 PolarHBondContact O-N 2.92Å; S406-H410 VanDerWaalsContact O-N 3.11Å; K407-H410 WeakPolarHBondContact O-CB 3.22Å; K407-H410 PolarHBondContact O-N 3.14Å; N408-H410 VanDerWaalsContact C-N 3.31Å; N408-H410 PolarHBondContact O-N 3.41Å; H410-G414 PolarHBondContact O-N 3.39Å |
| 411 | V | 90.9 | Very high | 89.1 | Confident | 26 Ų | 26 | 53.5 Ų | 53.5 | 16% | 0.158 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67 | -46.5 | 176.8 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | K407 N408 Q409 T415 Y416 H1109 V1111 | K407-V411 PolarHBondContact O-N 2.97Å; N408-V411 PolarHBondContact O-N 3.23Å; N408-V411 VanDerWaalsContact O-N 3.09Å; Q409-V411 VanDerWaalsContact C-N 3.35Å; Q409-V411 PolarHBondContact O-N 2.86Å; V411-T415 VanDerWaalsContact O-CB 3.23Å; V411-T415 WeakPolarHBondContact O-CB 3.35Å; V411-T415 PolarHBondContact O-N 3.46Å; V411-T415 PolarHBondContact O-OG1 2.97Å; V411-Y416 HydrophobicContact CG1-CE2 4.47Å; V411-H1109 WeakPolarHBondContact CG1-O 3.42Å; V411-V1111 HydrophobicContact CB-CG1 4.43Å; V411-V1111 HydrophobicContact CG1-CG1 4.07Å |
| 412 | L | 87.9 | Confident | 89 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 179.4 | -72.5 | 177.4 | 0 | 0 | 0 | 111.8 | N408 Q409 Y416 G417 I418 L1108 V1111 I1134 L1163 | N408-L412 WeakPolarHBondContact O-CB 2.96Å; N408-L412 VanDerWaalsContact O-CG 3.25Å; N408-L412 WeakPolarHBondContact O-CG 3.21Å; N408-L412 PolarHBondContact O-N 3.44Å; Q409-L412 PolarHBondContact O-N 2.98Å; L412-Y416 HydrophobicContact CD2-CD2 4.43Å; L412-Y416 CarbonylContact O-C 3.57Å; L412-Y416 WeakPolarHBondContact O-CA 3.32Å; L412-Y416 WeakPolarHBondContact O-CB 3.32Å; L412-Y416 PolarHBondContact O-N 3.41Å; L412-Y416 VanDerWaalsContact O-N 3.08Å; L412-G417 PolarHBondContact O-N 3.02Å; L412-G417 VanDerWaalsContact O-N 3.08Å; L412-I418 CarbonylContact C-O 3.47Å; L412-I418 HydrophobicContact CB-CB 4.15Å; L412-I418 HydrophobicContact CD2-CD1 3.95Å; L412-I418 PolarHBondContact O-N 2.61Å; L412-I418 VanDerWaalsContact O-N 3.13Å; L412-L1108 HydrophobicContact CD2-CD2 4.42Å; L412-V1111 HydrophobicContact CD2-CG1 4.36Å; L412-I1134 HydrophobicContact CD1-CG2 4.21Å; L412-I1134 HydrophobicContact CD2-CD1 3.89Å; L412-L1163 HydrophobicContact CD1-CD2 3.96Å; L412-L1163 HydrophobicContact CD2-CD2 4.24Å; L412-L1163 HydrophobicContact CG-CD2 4.48Å |
| 413 | T | 86.6 | Confident | 88.9 | Confident | 49 Ų | 49 | 53 Ų | 53 | 30% | 0.301 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.4 | -48.3 | 179.5 | -51.7 | 0 | 0 | 0 | 0 | 111.1 | Q409 G417 I418 | Q409-T413 VanDerWaalsContact O-CB 3.31Å; Q409-T413 WeakPolarHBondContact O-CB 3.23Å; Q409-T413 PolarHBondContact O-N 3.39Å; Q409-T413 PolarHBondContact O-OG1 3.12Å; T413-G417 WeakPolarHBondContact O-CA 3.42Å; T413-G417 PolarHBondContact O-N 3.1Å; T413-I418 WeakPolarHBondContact CA-O 3.19Å; T413-I418 PolarHBondContact N-O 3.25Å; T413-I418 PolarHBondContact OG1-O 2.89Å |
| 414 | G | 79.8 | Confident | 88.8 | Confident | 66 Ų | 66 | 50.1 Ų | 50.1 | 68% | 0.68 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -74 | -32.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | H410 | H410-G414 PolarHBondContact O-N 3.39Å |
| 415 | T | 80.3 | Confident | 88.6 | Confident | 96 Ų | 96 | 49.3 Ų | 49.3 | 59% | 0.589 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -101.5 | -36.7 | -174 | -43.5 | 0 | 0 | 0 | 0 | 112.4 | V411 | V411-T415 VanDerWaalsContact O-CB 3.23Å; V411-T415 WeakPolarHBondContact O-CB 3.35Å; V411-T415 PolarHBondContact O-N 3.46Å; V411-T415 PolarHBondContact O-OG1 2.97Å |
| 416 | Y | 79.1 | Confident | 88.5 | Confident | 65 Ų | 65 | 49.4 Ų | 49.4 | 26% | 0.255 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -117.5 | -3.9 | -171.2 | -56 | -76.4 | 0 | 0 | 0 | 113.4 | V411 L412 I418 I1106 L1107 L1108 H1109 | V411-Y416 HydrophobicContact CG1-CE2 4.47Å; L412-Y416 HydrophobicContact CD2-CD2 4.43Å; L412-Y416 CarbonylContact O-C 3.57Å; L412-Y416 WeakPolarHBondContact O-CA 3.32Å; L412-Y416 WeakPolarHBondContact O-CB 3.32Å; L412-Y416 PolarHBondContact O-N 3.41Å; L412-Y416 VanDerWaalsContact O-N 3.08Å; Y416-I418 HydrophobicContact CG-CD1 4.46Å; Y416-I418 PolarHBondContact O-N 3.42Å; Y416-I1106 HydrophobicContact CD1-CG2 4Å; Y416-I1106 HydrophobicContact CE1-CG2 3.82Å; Y416-L1107 PolarHBondContact OH-O 2.93Å; Y416-L1108 HydrophobicContact CD2-CD2 4.11Å; Y416-L1108 HydrophobicContact CE1-CD2 4.31Å; Y416-L1108 HydrophobicContact CE2-CD2 3.82Å; Y416-L1108 HydrophobicContact CG-CD2 4.48Å; Y416-L1108 WeakPolarHBondContact OH-CA 3.38Å; Y416-H1109 PolarHBondContact OH-N 3.29Å |
| 417 | G | 81.5 | Confident | 88.5 | Confident | 44 Ų | 44 | 46.2 Ų | 46.2 | 45% | 0.454 | 26% | 0.264 | S | S | . | . | trans | 72.6 | 9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L412 T413 Q419 | L412-G417 PolarHBondContact O-N 3.02Å; L412-G417 VanDerWaalsContact O-N 3.08Å; T413-G417 WeakPolarHBondContact O-CA 3.42Å; T413-G417 PolarHBondContact O-N 3.1Å; G417-Q419 PolarHBondContact O-N 3.39Å; G417-Q419 PolarHBondContact O-NE2 2.9Å | ||
| 418 | I | 85.5 | Confident | 88.4 | Confident | 16 Ų | 16 | 39.7 Ų | 39.7 | 8% | 0.082 | 24% | 0.236 | C | C | . | . | trans | -81 | 114.3 | -174.7 | -56.2 | 167.1 | 0 | 0 | 0 | 108.9 | L412 T413 Y416 Q422 L424 I1134 | L412-I418 CarbonylContact C-O 3.47Å; L412-I418 HydrophobicContact CB-CB 4.15Å; L412-I418 HydrophobicContact CD2-CD1 3.95Å; L412-I418 PolarHBondContact O-N 2.61Å; L412-I418 VanDerWaalsContact O-N 3.13Å; T413-I418 WeakPolarHBondContact CA-O 3.19Å; T413-I418 PolarHBondContact N-O 3.25Å; T413-I418 PolarHBondContact OG1-O 2.89Å; Y416-I418 HydrophobicContact CG-CD1 4.46Å; Y416-I418 PolarHBondContact O-N 3.42Å; I418-Q422 HydrophobicContact CG2-CB 4.29Å; I418-L424 HydrophobicContact CB-CD1 4.18Å; I418-L424 HydrophobicContact CD1-CD1 3.33Å; I418-L424 HydrophobicContact CG1-CD1 3.51Å; I418-L424 HydrophobicContact CG2-CD1 3.61Å; I418-I1134 HydrophobicContact CD1-CD1 3.9Å | ||
| 419 | Q | 89.8 | Confident | 88.1 | Confident | 91 Ų | 91 | 39.8 Ų | 39.8 | 43% | 0.425 | 24% | 0.237 | S | C | . | . | trans | -79.7 | 153.5 | -177.9 | -57.3 | -59 | -45.3 | 0 | 0 | 111.7 | G417 G421 Q422 N1165 | G417-Q419 PolarHBondContact O-N 3.39Å; G417-Q419 PolarHBondContact O-NE2 2.9Å; Q419-G421 PolarHBondContact O-N 2.92Å; Q419-Q422 HydrophobicContact CB-CG 4.09Å; Q419-Q422 WeakPolarHBondContact O-CB 3.3Å; Q419-Q422 PolarHBondContact O-N 3.24Å; Q419-N1165 PolarHBondContact O-ND2 2.76Å | ||
| 420 | P | 90 | Very high | 87.9 | Confident | 43 Ų | 43 | 38.6 Ų | 38.6 | 28% | 0.279 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 136.3 | 170.8 | -28 | 36.8 | 0 | 0 | 0 | 112.9 | Q422 N1165 P1168 | P420-Q422 VanDerWaalsContact C-N 3.29Å; P420-Q422 PolarHBondContact O-N 3.01Å; P420-N1165 WeakPolarHBondContact CA-OD1 3.37Å; P420-P1168 HydrophobicContact CB-CG 4.17Å |
| 421 | G | 88.3 | Confident | 87.5 | Confident | 21 Ų | 21 | 33.4 Ų | 33.4 | 22% | 0.216 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85 | -15.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q419 N1165 | Q419-G421 PolarHBondContact O-N 2.92Å; G421-N1165 VanDerWaalsContact CA-O 3.25Å; G421-N1165 WeakPolarHBondContact CA-O 3.15Å; G421-N1165 PolarHBondContact N-O 2.87Å |
| 422 | Q | 89.4 | Confident | 87.2 | Confident | 91 Ų | 91 | 32.3 Ų | 32.3 | 43% | 0.425 | 20% | 0.201 | S | C | . | . | trans | -72.3 | 136.4 | 175.1 | -68.7 | -176.7 | -26.6 | 0 | 0 | 111.4 | I418 Q419 P420 N1165 | I418-Q422 HydrophobicContact CG2-CB 4.29Å; Q419-Q422 HydrophobicContact CB-CG 4.09Å; Q419-Q422 WeakPolarHBondContact O-CB 3.3Å; Q419-Q422 PolarHBondContact O-N 3.24Å; P420-Q422 VanDerWaalsContact C-N 3.29Å; P420-Q422 PolarHBondContact O-N 3.01Å; Q422-N1165 PolarHBondContact O-ND2 3.47Å | ||
| 423 | S | 90.8 | Very high | 86.8 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | trans | -106.2 | 144.6 | 175.5 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | P434 I1134 S1139 | S423-P434 WeakPolarHBondContact O-CG 3.32Å; S423-I1134 CarbonylContact C-O 3.38Å; S423-I1134 WeakPolarHBondContact CA-O 3.44Å; S423-S1139 PolarHBondContact OG-OG 3.26Å | ||
| 424 | L | 89.6 | Confident | 86.5 | Confident | 34 Ų | 34 | 32 Ų | 32 | 18% | 0.178 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 147.7 | -177.2 | -58 | 158.8 | 0 | 0 | 0 | 110.2 | I418 L431 A1133 I1134 | I418-L424 HydrophobicContact CB-CD1 4.18Å; I418-L424 HydrophobicContact CD1-CD1 3.33Å; I418-L424 HydrophobicContact CG1-CD1 3.51Å; I418-L424 HydrophobicContact CG2-CD1 3.61Å; L424-L431 HydrophobicContact CB-CD1 4.19Å; L424-L431 HydrophobicContact CD2-CD1 3.83Å; L424-L431 HydrophobicContact CG-CD1 4.49Å; L424-A1133 WeakPolarHBondContact O-CA 3.27Å; L424-I1134 HydrophobicContact CB-CB 4.34Å; L424-I1134 HydrophobicContact CD1-CD1 4.22Å; L424-I1134 PolarHBondContact N-O 3.16Å; L424-I1134 PolarHBondContact O-N 3.42Å |
| 425 | L | 90.9 | Very high | 86.5 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 130.5 | 172.9 | 179.3 | 67.2 | 0 | 0 | 0 | 109.7 | L432 V436 V1132 L1145 L1149 | L425-L432 HydrophobicContact CB-CB 4.35Å; L425-L432 HydrophobicContact CD2-CB 4.44Å; L425-L432 HydrophobicContact CD2-CD1 4.12Å; L425-L432 HydrophobicContact CG-CD1 4.43Å; L425-L432 PolarHBondContact N-O 2.95Å; L425-L432 PolarHBondContact O-N 3.08Å; L425-V436 HydrophobicContact CD2-CG1 4.34Å; L425-V1132 CarbonylContact C-O 3.53Å; L425-L1145 HydrophobicContact CB-CD2 4.16Å; L425-L1145 HydrophobicContact CD2-CD2 4.01Å; L425-L1149 HydrophobicContact CD1-CD2 4.11Å |
| 426 | L | 91.8 | Very high | 86.4 | Confident | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 132.1 | 171.9 | -48.7 | 176.4 | 0 | 0 | 0 | 110.3 | I430 L431 I1106 L1108 L1131 V1132 | L426-I430 CarbonylContact C-O 3.56Å; L426-I430 VanDerWaalsContact CA-O 3.23Å; L426-I430 WeakPolarHBondContact CA-O 3.35Å; L426-L431 HydrophobicContact CD2-CB 3.99Å; L426-L431 HydrophobicContact CD2-CD1 3.68Å; L426-L431 HydrophobicContact CD2-CG 4.46Å; L426-I1106 HydrophobicContact CD1-CB 4.34Å; L426-I1106 HydrophobicContact CD1-CG2 4.43Å; L426-I1106 HydrophobicContact CD2-CD1 4.33Å; L426-L1108 HydrophobicContact CD1-CD1 4.34Å; L426-L1108 HydrophobicContact CD1-CG 4.34Å; L426-L1131 WeakPolarHBondContact O-CA 2.89Å; L426-V1132 HydrophobicContact CB-CB 4.01Å; L426-V1132 HydrophobicContact CB-CG2 4.5Å; L426-V1132 HydrophobicContact CD1-CB 4.16Å; L426-V1132 HydrophobicContact CD1-CG1 4.49Å; L426-V1132 HydrophobicContact CG-CB 4.32Å; L426-V1132 PolarHBondContact N-O 3.28Å; L426-V1132 PolarHBondContact O-N 3.28Å |
| 427 | L | 91.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 112.9 | 170.7 | 173.4 | 70.9 | 0 | 0 | 0 | 109 | G429 I430 L432 L441 V444 I445 F1129 L1131 | L427-G429 PolarHBondContact O-N 3.17Å; L427-G429 VanDerWaalsContact O-N 3.14Å; L427-I430 PolarHBondContact N-O 3.35Å; L427-I430 VanDerWaalsContact O-CB 3.24Å; L427-I430 WeakPolarHBondContact O-CB 3.43Å; L427-I430 WeakPolarHBondContact O-CG1 3.31Å; L427-I430 PolarHBondContact O-N 2.97Å; L427-L432 HydrophobicContact CB-CD1 3.84Å; L427-L441 HydrophobicContact CD2-CD1 4.09Å; L427-V444 HydrophobicContact CD2-CG1 3.86Å; L427-I445 HydrophobicContact CD1-CG1 4.4Å; L427-I445 HydrophobicContact CD2-CG1 3.56Å; L427-F1129 HydrophobicContact CD1-CB 4.27Å; L427-F1129 HydrophobicContact CD1-CD1 3.99Å; L427-F1129 HydrophobicContact CD1-CG 4.46Å; L427-L1131 HydrophobicContact CB-CD2 4.38Å; L427-L1131 HydrophobicContact CD1-CD2 3.49Å; L427-L1131 VanDerWaalsContact CD1-CD2 3.49Å; L427-L1131 HydrophobicContact CD1-CG 4.4Å |
| 428 | N | 92.6 | Very high | 87 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 43 | -172.3 | -66.4 | -15.6 | 0 | 0 | 0 | 111.5 | I430 E448 M452 I470 R1105 E1130 | N428-I430 VanDerWaalsContact C-N 3.25Å; N428-I430 PolarHBondContact O-N 3.28Å; N428-E448 VanDerWaalsContact CB-OE2 3.23Å; N428-E448 WeakPolarHBondContact CB-OE2 3.4Å; N428-E448 PolarHBondContact ND2-OE2 3.17Å; N428-M452 PolarHBondContact ND2-SD 3.18Å; N428-I470 VanDerWaalsContact O-CG1 3.23Å; N428-I470 WeakPolarHBondContact O-CG1 3.35Å; N428-R1105 VanDerWaalsContact CB-NH1 3.33Å; N428-R1105 WeakPolarHBondContact O-CD 3.4Å; N428-R1105 PolarHBondContact O-NH1 3.47Å; N428-E1130 PolarHBondContact N-O 2.76Å; N428-E1130 PolarHBondContact OD1-N 3.1Å |
| 429 | G | 88.5 | Confident | 87.3 | Confident | 2 Ų | 2 | 22.7 Ų | 22.7 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | -10.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L427 L431 R1105 I1106 | L427-G429 PolarHBondContact O-N 3.17Å; L427-G429 VanDerWaalsContact O-N 3.14Å; G429-L431 PolarHBondContact O-N 3.36Å; G429-R1105 CarbonylContact O-C 3.57Å; G429-R1105 WeakPolarHBondContact O-CA 3.35Å; G429-I1106 WeakPolarHBondContact CA-O 3.43Å; G429-I1106 PolarHBondContact O-N 3.24Å |
| 430 | I | 87.4 | Confident | 87.1 | Confident | 6 Ų | 6 | 18.4 Ų | 18.4 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 123.4 | 176.3 | -59.8 | 165.6 | 0 | 0 | 0 | 108.7 | L426 L427 N428 L432 V444 E448 I1087 R1105 | L426-I430 CarbonylContact C-O 3.56Å; L426-I430 VanDerWaalsContact CA-O 3.23Å; L426-I430 WeakPolarHBondContact CA-O 3.35Å; L427-I430 PolarHBondContact N-O 3.35Å; L427-I430 VanDerWaalsContact O-CB 3.24Å; L427-I430 WeakPolarHBondContact O-CB 3.43Å; L427-I430 WeakPolarHBondContact O-CG1 3.31Å; L427-I430 PolarHBondContact O-N 2.97Å; N428-I430 VanDerWaalsContact C-N 3.25Å; N428-I430 PolarHBondContact O-N 3.28Å; I430-L432 HydrophobicContact CG2-CD2 4.02Å; I430-L432 PolarHBondContact O-N 3.35Å; I430-V444 HydrophobicContact CD1-CG1 4.05Å; I430-E448 HydrophobicContact CD1-CG 4.2Å; I430-I1087 HydrophobicContact CD1-CD1 4.27Å; I430-I1087 HydrophobicContact CG2-CD1 3.6Å; I430-R1105 HydrophobicContact CG1-CG 4.26Å |
| 431 | L | 85.1 | Confident | 87.1 | Confident | 40 Ų | 40 | 16.4 Ų | 16.4 | 21% | 0.209 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 124.4 | 174.5 | 178.9 | 62.2 | 0 | 0 | 0 | 111 | L424 L426 G429 I1106 | L424-L431 HydrophobicContact CB-CD1 4.19Å; L424-L431 HydrophobicContact CD2-CD1 3.83Å; L424-L431 HydrophobicContact CG-CD1 4.49Å; L426-L431 HydrophobicContact CD2-CB 3.99Å; L426-L431 HydrophobicContact CD2-CD1 3.68Å; L426-L431 HydrophobicContact CD2-CG 4.46Å; G429-L431 PolarHBondContact O-N 3.36Å; L431-I1106 HydrophobicContact CB-CD1 4.16Å; L431-I1106 HydrophobicContact CD2-CD1 4.39Å |
| 432 | L | 84 | Confident | 87.2 | Confident | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 143.7 | 176.8 | -57.4 | 175.7 | 0 | 0 | 0 | 109.9 | L425 L427 I430 L441 I1096 | L425-L432 HydrophobicContact CB-CB 4.35Å; L425-L432 HydrophobicContact CD2-CB 4.44Å; L425-L432 HydrophobicContact CD2-CD1 4.12Å; L425-L432 HydrophobicContact CG-CD1 4.43Å; L425-L432 PolarHBondContact N-O 2.95Å; L425-L432 PolarHBondContact O-N 3.08Å; L427-L432 HydrophobicContact CB-CD1 3.84Å; I430-L432 HydrophobicContact CG2-CD2 4.02Å; I430-L432 PolarHBondContact O-N 3.35Å; L432-L441 HydrophobicContact CD1-CD1 3.67Å; L432-I1096 HydrophobicContact CD2-CG2 3.79Å |
| 433 | S | 80.8 | Confident | 87.1 | Confident | 26 Ų | 26 | 11.5 Ų | 11.5 | 18% | 0.182 | 7% | 0.071 | C | C | . | . | trans | -60.7 | 142.5 | 171.9 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | S435 V436 I1096 | S433-S435 PolarHBondContact O-N 3.45Å; S433-S435 PolarHBondContact OG-N 3.17Å; S433-S435 PolarHBondContact OG-OG 3.06Å; S433-V436 VanDerWaalsContact O-CB 3.22Å; S433-V436 WeakPolarHBondContact O-CB 3.36Å; S433-V436 PolarHBondContact O-N 3.2Å; S433-I1096 PolarHBondContact N-O 3.47Å | ||
| 434 | P | 79.8 | Confident | 87 | Confident | 17 Ų | 17 | 11.3 Ų | 11.3 | 11% | 0.11 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.3 | 170.2 | -25.1 | 35.4 | 0 | 0 | 0 | 114 | S423 V436 D1141 L1145 | S423-P434 WeakPolarHBondContact O-CG 3.32Å; P434-V436 VanDerWaalsContact C-N 3.27Å; P434-V436 PolarHBondContact O-N 3.07Å; P434-D1141 HydrophobicContact CB-CB 3.81Å; P434-L1145 HydrophobicContact CB-CD1 3.96Å; P434-L1145 HydrophobicContact CB-CG 4.38Å |
| 435 | S | 79.1 | Confident | 87.2 | Confident | 78 Ų | 78 | 9.7 Ų | 9.7 | 55% | 0.545 | 6% | 0.061 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 21.9 | 176.5 | 69.7 | 0 | 0 | 0 | 0 | 112.9 | S433 D437 | S433-S435 PolarHBondContact O-N 3.45Å; S433-S435 PolarHBondContact OG-N 3.17Å; S433-S435 PolarHBondContact OG-OG 3.06Å; S435-D437 PolarHBondContact O-N 2.78Å |
| 436 | V | 79.5 | Confident | 87.1 | Confident | 2 Ų | 2 | 10.2 Ų | 10.2 | 1% | 0.012 | 6% | 0.063 | C | C | . | . | trans | -53.4 | 135.8 | -176.8 | 64.8 | 0 | 0 | 0 | 0 | 111.5 | L425 S433 P434 L441 I1096 R1144 | L425-V436 HydrophobicContact CD2-CG1 4.34Å; S433-V436 VanDerWaalsContact O-CB 3.22Å; S433-V436 WeakPolarHBondContact O-CB 3.36Å; S433-V436 PolarHBondContact O-N 3.2Å; P434-V436 VanDerWaalsContact C-N 3.27Å; P434-V436 PolarHBondContact O-N 3.07Å; V436-L441 HydrophobicContact CG2-CB 4.17Å; V436-I1096 HydrophobicContact CG2-CG1 4.46Å; V436-R1144 PolarHBondContact O-NH2 2.8Å | ||
| 437 | D | 82.7 | Confident | 87 | Confident | 8 Ų | 8 | 12 Ų | 12 | 4% | 0.043 | 7% | 0.072 | C | C | . | . | trans | -68.7 | 128 | 168.5 | 176.2 | 17.5 | 0 | 0 | 0 | 109.7 | S435 F439 A440 L441 | S435-D437 PolarHBondContact O-N 2.78Å; D437-F439 PolarHBondContact O-N 3.32Å; D437-F439 WeakPolarHBondContact OD1-CD2 3.43Å; D437-F439 PolarHBondContact OD1-N 3.48Å; D437-F439 VanDerWaalsContact OD1-N 3.11Å; D437-A440 HydrophobicContact CB-CB 4.18Å; D437-A440 PolarHBondContact O-N 2.86Å; D437-L441 WeakPolarHBondContact O-CB 3.48Å; D437-L441 PolarHBondContact O-N 3.17Å | ||
| 438 | I | 90.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.4 | -29.7 | -179.7 | 62.3 | 157.2 | 0 | 0 | 0 | 111.9 | N260 L441 L442 F1181 W1183 | N260-I438 HydrophobicContact CB-CD1 4.43Å; I438-L441 WeakPolarHBondContact O-CB 3.4Å; I438-L441 PolarHBondContact O-N 3.03Å; I438-L442 WeakPolarHBondContact O-CB 3.46Å; I438-L442 VanDerWaalsContact O-CG 3.29Å; I438-L442 WeakPolarHBondContact O-CG 3.26Å; I438-L442 PolarHBondContact O-N 2.87Å; I438-F1181 HydrophobicContact CG2-CE1 3.83Å; I438-F1181 HydrophobicContact CG2-CZ 3.66Å; I438-W1183 HydrophobicContact CB-CZ2 4.39Å; I438-W1183 HydrophobicContact CD1-CD2 4.25Å; I438-W1183 HydrophobicContact CD1-CG 4.07Å; I438-W1183 HydrophobicContact CG2-CD2 4.16Å; I438-W1183 HydrophobicContact CG2-CE3 4.07Å; I438-W1183 HydrophobicContact CG2-CZ3 4.28Å |
| 439 | F | 90.4 | Very high | 86.7 | Confident | 4 Ų | 4 | 12.2 Ų | 12.2 | 2% | 0.018 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -73.1 | -41.1 | -179.7 | -52.1 | -67.3 | 0 | 0 | 0 | 111 | M124 D437 L441 L442 D443 W1225 F1348 R1349 | M124-F439 HydrophobicContact CB-CD1 4.46Å; M124-F439 HydrophobicContact CG-CD1 4.38Å; D437-F439 PolarHBondContact O-N 3.32Å; D437-F439 WeakPolarHBondContact OD1-CD2 3.43Å; D437-F439 PolarHBondContact OD1-N 3.48Å; D437-F439 VanDerWaalsContact OD1-N 3.11Å; F439-L441 VanDerWaalsContact C-N 3.34Å; F439-L442 PolarHBondContact O-N 3.5Å; F439-D443 PolarHBondContact O-N 3.4Å; F439-D443 VanDerWaalsContact O-N 3.17Å; F439-W1225 HydrophobicContact CD2-CZ2 4.46Å; F439-W1225 AromaticContact CE2-CH2 4Å; F439-W1225 HydrophobicContact CE2-CH2 4Å; F439-W1225 AromaticContact CE2-CZ2 3.45Å; F439-W1225 HydrophobicContact CE2-CZ2 3.45Å; F439-W1225 VanDerWaalsContact CE2-CZ2 3.45Å; F439-W1225 HydrophobicContact CZ-CH2 4.09Å; F439-W1225 AromaticContact CZ-CZ2 3.87Å; F439-W1225 HydrophobicContact CZ-CZ2 3.87Å; F439-F1348 HydrophobicContact CD1-CB 4.39Å; F439-F1348 HydrophobicContact CD1-CD2 4.04Å; F439-F1348 HydrophobicContact CD2-CB 3.48Å; F439-F1348 VanDerWaalsContact CD2-CB 3.48Å; F439-F1348 HydrophobicContact CD2-CD2 4.42Å; F439-F1348 HydrophobicContact CD2-CG 4.3Å; F439-F1348 HydrophobicContact CE1-CB 4.42Å; F439-F1348 AromaticContact CE1-CD2 3.58Å; F439-F1348 HydrophobicContact CE1-CD2 3.58Å; F439-F1348 HydrophobicContact CE1-CE2 4.2Å; F439-F1348 HydrophobicContact CE1-CG 4.32Å; F439-F1348 HydrophobicContact CE2-CB 3.57Å; F439-F1348 HydrophobicContact CE2-CD2 4.04Å; F439-F1348 AromaticContact CE2-CG 3.96Å; F439-F1348 HydrophobicContact CE2-CG 3.96Å; F439-F1348 HydrophobicContact CG-CB 3.95Å; F439-F1348 HydrophobicContact CG-CD2 4.45Å; F439-F1348 HydrophobicContact CZ-CB 4.05Å; F439-F1348 AromaticContact CZ-CD2 3.59Å; F439-F1348 HydrophobicContact CZ-CD2 3.59Å; F439-F1348 HydrophobicContact CZ-CE2 4.21Å; F439-F1348 AromaticContact CZ-CG 3.96Å; F439-F1348 HydrophobicContact CZ-CG 3.96Å; F439-R1349 HydrophobicContact CB-CG 4.2Å |
| 440 | A | 85.3 | Confident | 86.5 | Confident | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.008 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D437 L442 D443 V444 T1090 I1096 | D437-A440 HydrophobicContact CB-CB 4.18Å; D437-A440 PolarHBondContact O-N 2.86Å; A440-L442 PolarHBondContact O-N 3.15Å; A440-D443 PolarHBondContact O-N 2.72Å; A440-V444 WeakPolarHBondContact O-CG2 3.43Å; A440-V444 PolarHBondContact O-N 3.1Å; A440-V444 VanDerWaalsContact O-N 3.13Å; A440-T1090 HydrophobicContact CB-CG2 3.76Å; A440-I1096 HydrophobicContact CB-CD1 3.71Å |
| 441 | L | 89.8 | Confident | 86.5 | Confident | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 175.5 | 175.2 | 61 | 0 | 0 | 0 | 111.9 | L427 L432 V436 D437 I438 F439 D443 V444 I445 I1148 L1152 W1183 | L427-L441 HydrophobicContact CD2-CD1 4.09Å; L432-L441 HydrophobicContact CD1-CD1 3.67Å; V436-L441 HydrophobicContact CG2-CB 4.17Å; D437-L441 WeakPolarHBondContact O-CB 3.48Å; D437-L441 PolarHBondContact O-N 3.17Å; I438-L441 WeakPolarHBondContact O-CB 3.4Å; I438-L441 PolarHBondContact O-N 3.03Å; F439-L441 VanDerWaalsContact C-N 3.34Å; L441-D443 VanDerWaalsContact C-N 3.35Å; L441-D443 PolarHBondContact O-N 2.85Å; L441-V444 PolarHBondContact O-N 2.91Å; L441-I445 HydrophobicContact CD1-CD1 3.79Å; L441-I445 HydrophobicContact CD1-CG1 4.04Å; L441-I445 HydrophobicContact CD2-CD1 4.38Å; L441-I445 HydrophobicContact CG-CD1 3.68Å; L441-I445 HydrophobicContact CG-CG1 4.35Å; L441-I445 VanDerWaalsContact O-CG1 3.27Å; L441-I445 WeakPolarHBondContact O-CG1 3.09Å; L441-I445 PolarHBondContact O-N 2.63Å; L441-I1148 HydrophobicContact CD2-CG2 4.25Å; L441-L1152 HydrophobicContact CD2-CD1 4.24Å; L441-W1183 HydrophobicContact CD2-CH2 4.36Å |
| 442 | L | 91.8 | Very high | 86.7 | Confident | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.8 | -38.4 | 177.7 | -75.8 | 170.5 | 0 | 0 | 0 | 112.6 | L115 L118 M124 I438 F439 A440 I445 R446 W1183 | L115-L442 HydrophobicContact CD1-CD2 4.29Å; L118-L442 HydrophobicContact CD2-CD2 3.71Å; L118-L442 HydrophobicContact CG-CD2 3.95Å; M124-L442 HydrophobicContact SD-CB 4.16Å; M124-L442 HydrophobicContact SD-CD1 4.31Å; I438-L442 WeakPolarHBondContact O-CB 3.46Å; I438-L442 VanDerWaalsContact O-CG 3.29Å; I438-L442 WeakPolarHBondContact O-CG 3.26Å; I438-L442 PolarHBondContact O-N 2.87Å; F439-L442 PolarHBondContact O-N 3.5Å; A440-L442 PolarHBondContact O-N 3.15Å; L442-I445 PolarHBondContact O-N 2.93Å; L442-R446 VanDerWaalsContact O-CB 3.3Å; L442-R446 WeakPolarHBondContact O-CB 3.13Å; L442-R446 PolarHBondContact O-N 2.83Å; L442-W1183 HydrophobicContact CD2-CZ2 4.31Å; L442-W1183 HydrophobicContact CG-CZ2 4.44Å |
| 443 | D | 87.2 | Confident | 86.7 | Confident | 8 Ų | 8 | 12.2 Ų | 12.2 | 4% | 0.043 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 173.9 | -81.1 | -36.8 | 0 | 0 | 0 | 111.9 | M124 F439 A440 L441 R446 Q447 V1086 R1349 | M124-D443 WeakPolarHBondContact CE-OD1 3.46Å; F439-D443 PolarHBondContact O-N 3.4Å; F439-D443 VanDerWaalsContact O-N 3.17Å; A440-D443 PolarHBondContact O-N 2.72Å; L441-D443 VanDerWaalsContact C-N 3.35Å; L441-D443 PolarHBondContact O-N 2.85Å; D443-R446 PolarHBondContact O-N 3.07Å; D443-R446 IonicContact OD1-CZ 3.15Å; D443-R446 VanDerWaalsContact OD1-CZ 3.23Å; D443-R446 IonicContact OD1-NH1 2.92Å; D443-R446 PolarHBondContact OD1-NH1 3.31Å; D443-R446 VanDerWaalsContact OD1-NH1 3.11Å; D443-R446 IonicContact OD1-NH2 3.33Å; D443-R446 PolarHBondContact OD1-NH2 3Å; D443-Q447 PolarHBondContact O-N 3.39Å; D443-V1086 HydrophobicContact CB-CG1 3.84Å; D443-R1349 IonicContact OD2-CZ 2.77Å; D443-R1349 IonicContact OD2-NE 2.87Å; D443-R1349 IonicContact OD2-NH1 2.7Å; D443-R1349 PolarHBondContact OD2-NH1 3.08Å |
| 444 | V | 89.2 | Confident | 86.7 | Confident | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.012 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.8 | -47.2 | 176.5 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | L427 I430 A440 L441 R446 Q447 E448 V1086 I1087 | L427-V444 HydrophobicContact CD2-CG1 3.86Å; I430-V444 HydrophobicContact CD1-CG1 4.05Å; A440-V444 WeakPolarHBondContact O-CG2 3.43Å; A440-V444 PolarHBondContact O-N 3.1Å; A440-V444 VanDerWaalsContact O-N 3.13Å; L441-V444 PolarHBondContact O-N 2.91Å; V444-R446 VanDerWaalsContact C-N 3.31Å; V444-R446 PolarHBondContact O-N 3.4Å; V444-Q447 PolarHBondContact O-N 3.39Å; V444-E448 HydrophobicContact CG1-CG 4.37Å; V444-E448 WeakPolarHBondContact O-CB 3.49Å; V444-E448 WeakPolarHBondContact O-CG 3.36Å; V444-E448 PolarHBondContact O-N 3.21Å; V444-V1086 HydrophobicContact CG2-CG1 4.11Å; V444-I1087 HydrophobicContact CG2-CG1 4.02Å |
| 445 | I | 92.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 177.2 | -69.2 | 167.1 | 0 | 0 | 0 | 110.6 | L115 L427 L441 L442 Q447 E448 S449 F1129 L1152 L1156 | L115-I445 HydrophobicContact CD1-CG2 3.78Å; L427-I445 HydrophobicContact CD1-CG1 4.4Å; L427-I445 HydrophobicContact CD2-CG1 3.56Å; L441-I445 HydrophobicContact CD1-CD1 3.79Å; L441-I445 HydrophobicContact CD1-CG1 4.04Å; L441-I445 HydrophobicContact CD2-CD1 4.38Å; L441-I445 HydrophobicContact CG-CD1 3.68Å; L441-I445 HydrophobicContact CG-CG1 4.35Å; L441-I445 VanDerWaalsContact O-CG1 3.27Å; L441-I445 WeakPolarHBondContact O-CG1 3.09Å; L441-I445 PolarHBondContact O-N 2.63Å; L442-I445 PolarHBondContact O-N 2.93Å; I445-Q447 PolarHBondContact O-N 3.45Å; I445-E448 PolarHBondContact O-N 2.92Å; I445-S449 VanDerWaalsContact O-CB 3.28Å; I445-S449 WeakPolarHBondContact O-CB 3.39Å; I445-S449 PolarHBondContact O-N 2.94Å; I445-F1129 HydrophobicContact CG2-CE1 4.08Å; I445-F1129 HydrophobicContact CG2-CE2 4.4Å; I445-F1129 HydrophobicContact CG2-CZ 3.83Å; I445-L1152 HydrophobicContact CD1-CD2 3.71Å; I445-L1156 HydrophobicContact CD1-CD1 3.91Å; I445-L1156 HydrophobicContact CG2-CD1 3.83Å; I445-L1156 HydrophobicContact CG2-CD2 4.33Å |
| 446 | R | 90.2 | Very high | 87.3 | Confident | 11 Ų | 11 | 9.5 Ų | 9.5 | 4% | 0.042 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 178 | -170.7 | 176.3 | 71.7 | -134.1 | -12.2 | 111.3 | E48 L115 L442 D443 V444 S449 K450 | E48-R446 WeakPolarHBondContact OE1-CD 3.36Å; E48-R446 VanDerWaalsContact OE1-CG 3.29Å; E48-R446 WeakPolarHBondContact OE1-CG 3.47Å; E48-R446 IonicContact OE1-NE 2.76Å; L115-R446 HydrophobicContact CD2-CB 3.84Å; L115-R446 HydrophobicContact CD2-CG 3.87Å; L442-R446 VanDerWaalsContact O-CB 3.3Å; L442-R446 WeakPolarHBondContact O-CB 3.13Å; L442-R446 PolarHBondContact O-N 2.83Å; D443-R446 PolarHBondContact O-N 3.07Å; D443-R446 IonicContact OD1-CZ 3.15Å; D443-R446 VanDerWaalsContact OD1-CZ 3.23Å; D443-R446 IonicContact OD1-NH1 2.92Å; D443-R446 PolarHBondContact OD1-NH1 3.31Å; D443-R446 VanDerWaalsContact OD1-NH1 3.11Å; D443-R446 IonicContact OD1-NH2 3.33Å; D443-R446 PolarHBondContact OD1-NH2 3Å; V444-R446 VanDerWaalsContact C-N 3.31Å; V444-R446 PolarHBondContact O-N 3.4Å; R446-S449 WeakPolarHBondContact O-CB 3.45Å; R446-S449 PolarHBondContact O-N 3.34Å; R446-S449 PolarHBondContact O-OG 2.85Å; R446-K450 PolarHBondContact O-N 2.87Å |
| 447 | Q | 87.7 | Confident | 87.3 | Confident | 43 Ų | 43 | 10 Ų | 10 | 20% | 0.201 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -68 | -40.3 | 179 | -169 | 61.8 | 29.2 | 0 | 0 | 112.2 | D443 V444 I445 S449 K450 M451 A1082 T1083 | D443-Q447 PolarHBondContact O-N 3.39Å; V444-Q447 PolarHBondContact O-N 3.39Å; I445-Q447 PolarHBondContact O-N 3.45Å; Q447-S449 VanDerWaalsContact C-N 3.31Å; Q447-S449 PolarHBondContact O-N 2.91Å; Q447-K450 PolarHBondContact O-N 2.89Å; Q447-M451 PolarHBondContact O-N 2.85Å; Q447-A1082 HydrophobicContact CG-CB 4.04Å; Q447-T1083 HydrophobicContact CB-CG2 3.82Å; Q447-T1083 HydrophobicContact CG-CG2 3.42Å; Q447-T1083 VanDerWaalsContact CG-CG2 3.42Å |
| 448 | E | 90.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 172.4 | -76.8 | -67.7 | 102.6 | 0 | 0 | 111.6 | N428 I430 V444 I445 K450 M451 M452 T1083 R1105 F1129 | N428-E448 VanDerWaalsContact CB-OE2 3.23Å; N428-E448 WeakPolarHBondContact CB-OE2 3.4Å; N428-E448 PolarHBondContact ND2-OE2 3.17Å; I430-E448 HydrophobicContact CD1-CG 4.2Å; V444-E448 HydrophobicContact CG1-CG 4.37Å; V444-E448 WeakPolarHBondContact O-CB 3.49Å; V444-E448 WeakPolarHBondContact O-CG 3.36Å; V444-E448 PolarHBondContact O-N 3.21Å; I445-E448 PolarHBondContact O-N 2.92Å; E448-K450 VanDerWaalsContact C-N 3.29Å; E448-K450 PolarHBondContact O-N 3.24Å; E448-M451 PolarHBondContact O-N 2.92Å; E448-M451 WeakPolarHBondContact OE1-CE 3.31Å; E448-M452 VanDerWaalsContact O-CG 3.3Å; E448-M452 WeakPolarHBondContact O-CG 3.11Å; E448-M452 PolarHBondContact O-N 2.95Å; E448-T1083 HydrophobicContact CG-CG2 4.29Å; E448-T1083 VanDerWaalsContact OE1-CG2 3.22Å; E448-T1083 WeakPolarHBondContact OE1-CG2 3.29Å; E448-R1105 IonicContact OE1-CZ 2.78Å; E448-R1105 IonicContact OE1-NH1 3.36Å; E448-R1105 IonicContact OE1-NH2 3.93Å; E448-R1105 PolarHBondContact OE1-NH2 3.2Å; E448-R1105 IonicContact OE2-CZ 2.59Å; E448-R1105 IonicContact OE2-NH1 3.44Å; E448-R1105 PolarHBondContact OE2-NH1 3.08Å; E448-R1105 IonicContact OE2-NH2 3.52Å; E448-R1105 PolarHBondContact OE2-NH2 3.19Å; E448-F1129 HydrophobicContact CB-CE1 3.81Å |
| 449 | S | 89.8 | Confident | 86.6 | Confident | 4 Ų | 4 | 11.9 Ų | 11.9 | 3% | 0.028 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.9 | -37.6 | 179.4 | 82.5 | 0 | 0 | 0 | 0 | 112.4 | I445 R446 Q447 M452 T453 | I445-S449 VanDerWaalsContact O-CB 3.28Å; I445-S449 WeakPolarHBondContact O-CB 3.39Å; I445-S449 PolarHBondContact O-N 2.94Å; R446-S449 WeakPolarHBondContact O-CB 3.45Å; R446-S449 PolarHBondContact O-N 3.34Å; R446-S449 PolarHBondContact O-OG 2.85Å; Q447-S449 VanDerWaalsContact C-N 3.31Å; Q447-S449 PolarHBondContact O-N 2.91Å; S449-M452 PolarHBondContact O-N 3.42Å; S449-T453 VanDerWaalsContact O-CB 3.25Å; S449-T453 WeakPolarHBondContact O-CB 3.32Å; S449-T453 PolarHBondContact O-N 2.94Å; S449-T453 PolarHBondContact O-OG1 3.02Å |
| 450 | K | 84.3 | Confident | 86.3 | Confident | 48 Ų | 48 | 11.8 Ų | 11.8 | 21% | 0.209 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.4 | -49.1 | 177.1 | -72.1 | 179 | -179.9 | 177.5 | 0 | 110.3 | E48 R446 Q447 E448 T453 Q454 | E48-K450 WeakPolarHBondContact OE1-CE 3.32Å; E48-K450 IonicContact OE1-NZ 3.09Å; E48-K450 PolarHBondContact OE1-NZ 3.46Å; E48-K450 WeakPolarHBondContact OE2-CE 3.35Å; E48-K450 IonicContact OE2-NZ 3.81Å; R446-K450 PolarHBondContact O-N 2.87Å; Q447-K450 PolarHBondContact O-N 2.89Å; E448-K450 VanDerWaalsContact C-N 3.29Å; E448-K450 PolarHBondContact O-N 3.24Å; K450-T453 PolarHBondContact O-N 2.84Å; K450-Q454 WeakPolarHBondContact O-CB 3.45Å; K450-Q454 WeakPolarHBondContact O-CG 3.4Å; K450-Q454 PolarHBondContact O-N 3.45Å |
| 451 | M | 86.6 | Confident | 86.2 | Confident | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.2 | -47 | 177.2 | -177.2 | 176.8 | 54.5 | 0 | 0 | 111.4 | Q447 E448 T453 Q454 L455 I469 V1075 L1076 I1080 | Q447-M451 PolarHBondContact O-N 2.85Å; E448-M451 PolarHBondContact O-N 2.92Å; E448-M451 WeakPolarHBondContact OE1-CE 3.31Å; M451-T453 VanDerWaalsContact C-N 3.33Å; M451-T453 PolarHBondContact O-N 3.5Å; M451-Q454 WeakPolarHBondContact O-CB 3.34Å; M451-Q454 PolarHBondContact O-N 2.87Å; M451-L455 HydrophobicContact CG-CD1 4.16Å; M451-L455 VanDerWaalsContact O-CG 3.27Å; M451-L455 WeakPolarHBondContact O-CG 3.27Å; M451-L455 PolarHBondContact O-N 2.86Å; M451-I469 HydrophobicContact CE-CB 4.3Å; M451-I469 HydrophobicContact CE-CD1 3.76Å; M451-I469 HydrophobicContact CE-CG1 3.82Å; M451-I469 HydrophobicContact CE-CG2 3.45Å; M451-I469 VanDerWaalsContact CE-CG2 3.45Å; M451-I469 HydrophobicContact SD-CG1 4.32Å; M451-I469 HydrophobicContact SD-CG2 4.44Å; M451-V1075 HydrophobicContact CG-CG1 4.23Å; M451-L1076 HydrophobicContact SD-CD2 4.13Å; M451-I1080 HydrophobicContact SD-CG1 4.43Å |
| 452 | M | 88.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 178.3 | -70.9 | 173.5 | 64.7 | 0 | 0 | 112.4 | N428 E448 S449 L455 H456 I465 I469 P1127 N1128 F1129 | N428-M452 PolarHBondContact ND2-SD 3.18Å; E448-M452 VanDerWaalsContact O-CG 3.3Å; E448-M452 WeakPolarHBondContact O-CG 3.11Å; E448-M452 PolarHBondContact O-N 2.95Å; S449-M452 PolarHBondContact O-N 3.42Å; M452-L455 PolarHBondContact O-N 2.94Å; M452-H456 WeakPolarHBondContact O-CB 3.12Å; M452-H456 PolarHBondContact O-N 3.44Å; M452-I465 HydrophobicContact CB-CG2 3.98Å; M452-I465 HydrophobicContact CG-CG2 3.82Å; M452-I469 HydrophobicContact CG-CD1 3.53Å; M452-P1127 HydrophobicContact CE-CB 4.03Å; M452-N1128 WeakPolarHBondContact CE-O 3.34Å; M452-F1129 HydrophobicContact CE-CD1 4.27Å; M452-F1129 HydrophobicContact CE-CD2 4.32Å; M452-F1129 HydrophobicContact CE-CE1 4.48Å; M452-F1129 HydrophobicContact CE-CG 4.19Å; M452-F1129 HydrophobicContact SD-CD1 3.5Å; M452-F1129 WeakPolarHBondContact SD-CD1 3.31Å; M452-F1129 HydrophobicContact SD-CD2 4.42Å; M452-F1129 HydrophobicContact SD-CE1 3.43Å; M452-F1129 WeakPolarHBondContact SD-CE1 3.46Å; M452-F1129 HydrophobicContact SD-CE2 4.35Å; M452-F1129 HydrophobicContact SD-CG 4.02Å; M452-F1129 HydrophobicContact SD-CZ 3.88Å |
| 453 | T | 84 | Confident | 85.4 | Confident | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 176.4 | -61.4 | 0 | 0 | 0 | 0 | 111 | S108 S449 K450 M451 L455 H456 D457 | S108-T453 VanDerWaalsContact CB-CG2 3.45Å; S449-T453 VanDerWaalsContact O-CB 3.25Å; S449-T453 WeakPolarHBondContact O-CB 3.32Å; S449-T453 PolarHBondContact O-N 2.94Å; S449-T453 PolarHBondContact O-OG1 3.02Å; K450-T453 PolarHBondContact O-N 2.84Å; M451-T453 VanDerWaalsContact C-N 3.33Å; M451-T453 PolarHBondContact O-N 3.5Å; T453-L455 PolarHBondContact O-N 3.14Å; T453-H456 PolarHBondContact O-N 3.2Å; T453-D457 WeakPolarHBondContact O-CB 3.43Å; T453-D457 VanDerWaalsContact O-CG 3.24Å; T453-D457 PolarHBondContact O-N 3.26Å |
| 454 | Q | 82 | Confident | 85.4 | Confident | 33 Ų | 33 | 18.9 Ų | 18.9 | 15% | 0.154 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 177.9 | -74.7 | 169 | -20.7 | 0 | 0 | 112.5 | K450 M451 D457 L458 N791 V1075 | K450-Q454 WeakPolarHBondContact O-CB 3.45Å; K450-Q454 WeakPolarHBondContact O-CG 3.4Å; K450-Q454 PolarHBondContact O-N 3.45Å; M451-Q454 WeakPolarHBondContact O-CB 3.34Å; M451-Q454 PolarHBondContact O-N 2.87Å; Q454-D457 PolarHBondContact O-N 2.73Å; Q454-L458 WeakPolarHBondContact O-CG 3.34Å; Q454-L458 PolarHBondContact O-N 2.88Å; Q454-L458 VanDerWaalsContact O-N 3.07Å; Q454-N791 WeakPolarHBondContact CG-OD1 3.36Å; Q454-N791 PolarHBondContact NE2-OD1 3.27Å; Q454-V1075 HydrophobicContact CB-CG1 3.64Å; Q454-V1075 HydrophobicContact CB-CG2 4.39Å |
| 455 | L | 86.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.5 | -39.6 | 177.5 | -63.4 | 170.5 | 0 | 0 | 0 | 111.9 | M451 M452 T453 L458 I460 I465 I469 L1072 V1075 L1076 | M451-L455 HydrophobicContact CG-CD1 4.16Å; M451-L455 VanDerWaalsContact O-CG 3.27Å; M451-L455 WeakPolarHBondContact O-CG 3.27Å; M451-L455 PolarHBondContact O-N 2.86Å; M452-L455 PolarHBondContact O-N 2.94Å; T453-L455 PolarHBondContact O-N 3.14Å; L455-L458 PolarHBondContact O-N 2.92Å; L455-I460 WeakPolarHBondContact O-CB 3.49Å; L455-I460 PolarHBondContact O-N 3.03Å; L455-I465 HydrophobicContact CB-CD1 4.47Å; L455-I465 HydrophobicContact CB-CG1 4.39Å; L455-I465 HydrophobicContact CB-CG2 4.27Å; L455-I465 HydrophobicContact CD1-CG2 3.96Å; L455-I469 HydrophobicContact CD1-CD1 3.81Å; L455-I469 HydrophobicContact CD1-CG1 3.55Å; L455-L1072 HydrophobicContact CD2-CD2 3.37Å; L455-V1075 HydrophobicContact CD2-CB 4.25Å; L455-V1075 HydrophobicContact CD2-CG1 3.73Å; L455-V1075 HydrophobicContact CG-CG1 4Å; L455-L1076 HydrophobicContact CD1-CD2 3.75Å; L455-L1076 HydrophobicContact CD2-CD2 4.14Å; L455-L1076 HydrophobicContact CD2-CG 4.07Å |
| 456 | H | 84.9 | Confident | 85.3 | Confident | 31 Ų | 31 | 19.4 Ų | 19.4 | 14% | 0.144 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.8 | -44.2 | 175.6 | -174.8 | -77.7 | 0 | 0 | 0 | 111.3 | S107 M452 T453 L458 G459 I465 P1127 | S107-H456 PolarHBondContact OG-CE1 3.5Å; S107-H456 PolarHBondContact OG-ND1 3.16Å; S107-H456 PolarHBondContact OG-NE2 3.13Å; M452-H456 WeakPolarHBondContact O-CB 3.12Å; M452-H456 PolarHBondContact O-N 3.44Å; T453-H456 PolarHBondContact O-N 3.2Å; H456-L458 VanDerWaalsContact C-N 3.29Å; H456-L458 PolarHBondContact O-N 3.31Å; H456-G459 PolarHBondContact O-N 3.36Å; H456-I465 HydrophobicContact CB-CD1 3.56Å; H456-P1127 HydrophobicContact CB-CG 4.21Å |
| 457 | D | 78 | Confident | 85.1 | Confident | 11 Ų | 11 | 22.4 Ų | 22.4 | 6% | 0.059 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60 | -41 | 177.6 | -70.3 | -19.8 | 0 | 0 | 0 | 110.9 | N105 T453 Q454 G459 Y793 | N105-D457 WeakPolarHBondContact CB-OD1 3.45Å; N105-D457 PolarHBondContact ND2-OD1 3.26Å; T453-D457 WeakPolarHBondContact O-CB 3.43Å; T453-D457 VanDerWaalsContact O-CG 3.24Å; T453-D457 PolarHBondContact O-N 3.26Å; Q454-D457 PolarHBondContact O-N 2.73Å; D457-G459 PolarHBondContact O-N 3.4Å; D457-Y793 CarbonylContact C-O 3.54Å; D457-Y793 CarbonylContact O-C 3.57Å |
| 458 | L | 79.7 | Confident | 85.2 | Confident | 8 Ų | 8 | 20.5 Ų | 20.5 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -0.7 | 174 | -71.2 | 168.4 | 0 | 0 | 0 | 115.3 | Q454 L455 H456 F790 Y793 Q1071 L1072 V1075 | Q454-L458 WeakPolarHBondContact O-CG 3.34Å; Q454-L458 PolarHBondContact O-N 2.88Å; Q454-L458 VanDerWaalsContact O-N 3.07Å; L455-L458 PolarHBondContact O-N 2.92Å; H456-L458 VanDerWaalsContact C-N 3.29Å; H456-L458 PolarHBondContact O-N 3.31Å; L458-F790 HydrophobicContact CD2-CB 4.31Å; L458-Y793 HydrophobicContact CD2-CD1 4.16Å; L458-Y793 HydrophobicContact CD2-CD2 4.3Å; L458-Y793 HydrophobicContact CD2-CG 3.73Å; L458-Q1071 HydrophobicContact CD1-CB 4.5Å; L458-Q1071 HydrophobicContact CD2-CB 4.46Å; L458-L1072 HydrophobicContact CB-CD2 4.04Å; L458-L1072 HydrophobicContact CD1-CD2 3.71Å; L458-L1072 HydrophobicContact CD1-CG 4.48Å; L458-V1075 HydrophobicContact CD1-CG2 3.82Å |
| 459 | G | 79.1 | Confident | 85.2 | Confident | 40 Ų | 40 | 20.5 Ų | 20.5 | 41% | 0.412 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | 13.5 | 172 | 0 | 0 | 0 | 0 | 0 | 115.1 | H456 D457 | H456-G459 PolarHBondContact O-N 3.36Å; D457-G459 PolarHBondContact O-N 3.4Å |
| 460 | I | 84.5 | Confident | 85.1 | Confident | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | trans | -77.8 | 129.4 | 173.5 | -58.8 | -57.6 | 0 | 0 | 0 | 110.1 | L455 G462 N464 I465 L1051 L1072 | L455-I460 WeakPolarHBondContact O-CB 3.49Å; L455-I460 PolarHBondContact O-N 3.03Å; I460-G462 PolarHBondContact O-N 3.02Å; I460-N464 HydrophobicContact CG2-CB 4.45Å; I460-I465 HydrophobicContact CB-CG1 4.14Å; I460-I465 HydrophobicContact CG2-CG1 3.67Å; I460-L1051 HydrophobicContact CD1-CD2 3.6Å; I460-L1072 HydrophobicContact CD1-CD1 3.85Å; I460-L1072 HydrophobicContact CG1-CD1 4.16Å; I460-L1072 HydrophobicContact CG1-CD2 3.94Å | ||
| 461 | P | 83.5 | Confident | 85.1 | Confident | 56 Ų | 56 | 20.5 Ų | 20.5 | 36% | 0.364 | 12% | 0.123 | S | C | . | . | trans | -57.1 | 134.4 | 175.8 | -24.7 | 33.7 | 0 | 0 | 0 | 112.3 | S463 N464 I1054 | P461-S463 PolarHBondContact O-N 3.22Å; P461-S463 VanDerWaalsContact O-N 3.09Å; P461-N464 PolarHBondContact O-N 3Å; P461-I1054 HydrophobicContact CG-CG2 4.34Å | ||
| 462 | G | 82.2 | Confident | 85 | Confident | 4 Ų | 4 | 20.9 Ų | 20.9 | 4% | 0.041 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -49.6 | -38.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I460 N464 I465 E1126 | I460-G462 PolarHBondContact O-N 3.02Å; G462-N464 PolarHBondContact O-N 2.91Å; G462-I465 PolarHBondContact O-N 2.77Å; G462-E1126 CarbonylContact C-O 3.29Å; G462-E1126 WeakPolarHBondContact CA-O 3.4Å |
| 463 | S | 82.1 | Confident | 84.4 | Confident | 60 Ų | 60 | 21 Ų | 21 | 42% | 0.42 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -62.3 | -22.4 | 178.4 | 53.3 | 0 | 0 | 0 | 0 | 115.2 | P461 K1124 | P461-S463 PolarHBondContact O-N 3.22Å; P461-S463 VanDerWaalsContact O-N 3.09Å; S463-K1124 PolarHBondContact N-O 3.44Å |
| 464 | N | 87.7 | Confident | 83.8 | Confident | 40 Ų | 40 | 22.1 Ų | 22.1 | 21% | 0.214 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -105.1 | -10.9 | -172.3 | -67.8 | 79.1 | 0 | 0 | 0 | 113.2 | I460 P461 G462 Q467 L468 I1054 | I460-N464 HydrophobicContact CG2-CB 4.45Å; P461-N464 PolarHBondContact O-N 3Å; G462-N464 PolarHBondContact O-N 2.91Å; N464-Q467 PolarHBondContact O-N 3.29Å; N464-L468 WeakPolarHBondContact O-CB 3.4Å; N464-L468 PolarHBondContact O-N 3.13Å; N464-I1054 HydrophobicContact CB-CD1 4.2Å; N464-I1054 HydrophobicContact CB-CG2 4.45Å |
| 465 | I | 89.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.6 | -51.9 | -171.6 | -70.6 | 173.9 | 0 | 0 | 0 | 112.1 | M452 L455 H456 I460 G462 Q467 L468 I469 P1127 | M452-I465 HydrophobicContact CB-CG2 3.98Å; M452-I465 HydrophobicContact CG-CG2 3.82Å; L455-I465 HydrophobicContact CB-CD1 4.47Å; L455-I465 HydrophobicContact CB-CG1 4.39Å; L455-I465 HydrophobicContact CB-CG2 4.27Å; L455-I465 HydrophobicContact CD1-CG2 3.96Å; H456-I465 HydrophobicContact CB-CD1 3.56Å; I460-I465 HydrophobicContact CB-CG1 4.14Å; I460-I465 HydrophobicContact CG2-CG1 3.67Å; G462-I465 PolarHBondContact O-N 2.77Å; I465-Q467 VanDerWaalsContact C-N 3.33Å; I465-Q467 PolarHBondContact O-N 3.45Å; I465-L468 WeakPolarHBondContact O-CB 3.33Å; I465-L468 PolarHBondContact O-N 2.76Å; I465-I469 HydrophobicContact CG2-CD1 3.69Å; I465-I469 HydrophobicContact CG2-CG1 4.49Å; I465-I469 WeakPolarHBondContact O-CD1 3.32Å; I465-I469 VanDerWaalsContact O-CG1 3.28Å; I465-I469 WeakPolarHBondContact O-CG1 3.37Å; I465-I469 PolarHBondContact O-N 3.04Å; I465-P1127 HydrophobicContact CD1-CB 3.99Å |
| 466 | S | 88.6 | Confident | 81.2 | Confident | 13 Ų | 13 | 23 Ų | 23 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | -179.7 | 53.7 | 0 | 0 | 0 | 0 | 111.7 | L468 I469 I470 N1128 | S466-L468 PolarHBondContact O-N 3.05Å; S466-I469 PolarHBondContact O-N 3.26Å; S466-I470 WeakPolarHBondContact O-CD1 3.42Å; S466-I470 WeakPolarHBondContact O-CG1 3.44Å; S466-I470 PolarHBondContact O-N 3.42Å; S466-N1128 WeakPolarHBondContact CB-O 3.25Å |
| 467 | Q | 87.5 | Confident | 79.1 | Confident | 74 Ų | 74 | 21.8 Ų | 21.8 | 35% | 0.346 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -61.4 | -44 | 175.9 | -175.6 | 176.9 | 2 | 0 | 0 | 111.9 | N464 I465 I469 I470 E471 | N464-Q467 PolarHBondContact O-N 3.29Å; I465-Q467 VanDerWaalsContact C-N 3.33Å; I465-Q467 PolarHBondContact O-N 3.45Å; Q467-I469 VanDerWaalsContact C-N 3.35Å; Q467-I469 PolarHBondContact O-N 2.84Å; Q467-I470 PolarHBondContact O-N 3.33Å; Q467-E471 HydrophobicContact CG-CG 4.32Å; Q467-E471 WeakPolarHBondContact CG-OE1 3.21Å; Q467-E471 PolarHBondContact NE2-OE1 2.84Å; Q467-E471 WeakPolarHBondContact O-CB 3.28Å; Q467-E471 WeakPolarHBondContact O-CG 3.42Å; Q467-E471 PolarHBondContact O-N 3.27Å |
| 468 | L | 89.1 | Confident | 77.2 | Confident | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.5 | -45.5 | 177.5 | -168.2 | 81.3 | 0 | 0 | 0 | 111.2 | N464 I465 S466 Y472 L1047 K1050 I1054 L1076 | N464-L468 WeakPolarHBondContact O-CB 3.4Å; N464-L468 PolarHBondContact O-N 3.13Å; I465-L468 WeakPolarHBondContact O-CB 3.33Å; I465-L468 PolarHBondContact O-N 2.76Å; S466-L468 PolarHBondContact O-N 3.05Å; L468-Y472 VanDerWaalsContact O-CB 3.25Å; L468-Y472 WeakPolarHBondContact O-CB 3.34Å; L468-Y472 PolarHBondContact O-N 3.32Å; L468-L1047 HydrophobicContact CD1-CD1 3.76Å; L468-L1047 HydrophobicContact CD2-CD1 4.31Å; L468-L1047 HydrophobicContact CG-CD1 4.17Å; L468-K1050 HydrophobicContact CD1-CG 4.23Å; L468-I1054 HydrophobicContact CD1-CD1 4.13Å; L468-L1076 HydrophobicContact CD2-CD1 4.29Å |
| 469 | I | 90.2 | Very high | 75.3 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.3 | -48.2 | 177.2 | -69.2 | 161.7 | 0 | 0 | 0 | 110.7 | M451 M452 L455 I465 S466 Q467 G473 L1076 R1105 | M451-I469 HydrophobicContact CE-CB 4.3Å; M451-I469 HydrophobicContact CE-CD1 3.76Å; M451-I469 HydrophobicContact CE-CG1 3.82Å; M451-I469 HydrophobicContact CE-CG2 3.45Å; M451-I469 VanDerWaalsContact CE-CG2 3.45Å; M451-I469 HydrophobicContact SD-CG1 4.32Å; M451-I469 HydrophobicContact SD-CG2 4.44Å; M452-I469 HydrophobicContact CG-CD1 3.53Å; L455-I469 HydrophobicContact CD1-CD1 3.81Å; L455-I469 HydrophobicContact CD1-CG1 3.55Å; I465-I469 HydrophobicContact CG2-CD1 3.69Å; I465-I469 HydrophobicContact CG2-CG1 4.49Å; I465-I469 WeakPolarHBondContact O-CD1 3.32Å; I465-I469 VanDerWaalsContact O-CG1 3.28Å; I465-I469 WeakPolarHBondContact O-CG1 3.37Å; I465-I469 PolarHBondContact O-N 3.04Å; S466-I469 PolarHBondContact O-N 3.26Å; Q467-I469 VanDerWaalsContact C-N 3.35Å; Q467-I469 PolarHBondContact O-N 2.84Å; I469-G473 PolarHBondContact O-N 3.07Å; I469-L1076 HydrophobicContact CB-CD2 4.45Å; I469-L1076 HydrophobicContact CG1-CD2 3.83Å; I469-R1105 WeakPolarHBondContact O-CD 3.49Å |
| 470 | I | 88.1 | Confident | 73.3 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.2 | -49.7 | -179.4 | -66.3 | 160.3 | 0 | 0 | 0 | 110.6 | N428 S466 Q467 G473 S474 R1105 L1107 E1130 | N428-I470 VanDerWaalsContact O-CG1 3.23Å; N428-I470 WeakPolarHBondContact O-CG1 3.35Å; S466-I470 WeakPolarHBondContact O-CD1 3.42Å; S466-I470 WeakPolarHBondContact O-CG1 3.44Å; S466-I470 PolarHBondContact O-N 3.42Å; Q467-I470 PolarHBondContact O-N 3.33Å; I470-G473 PolarHBondContact O-N 3.23Å; I470-S474 VanDerWaalsContact O-CB 3.29Å; I470-S474 WeakPolarHBondContact O-CB 3.22Å; I470-S474 PolarHBondContact O-N 2.69Å; I470-S474 PolarHBondContact O-OG 2.68Å; I470-R1105 HydrophobicContact CG2-CB 4.5Å; I470-L1107 HydrophobicContact CG2-CB 3.78Å; I470-L1107 HydrophobicContact CG2-CD1 3.83Å; I470-L1107 HydrophobicContact CG2-CG 4.28Å; I470-E1130 HydrophobicContact CD1-CB 4.27Å; I470-E1130 HydrophobicContact CD1-CG 4.42Å |
| 471 | E | 84.3 | Confident | 71.1 | Confident | 52 Ų | 52 | 27.9 Ų | 27.9 | 24% | 0.243 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | -178.4 | -74.1 | 176.5 | -174 | 0 | 0 | 111.6 | Q467 S474 S475 K1050 L1107 | Q467-E471 HydrophobicContact CG-CG 4.32Å; Q467-E471 WeakPolarHBondContact CG-OE1 3.21Å; Q467-E471 PolarHBondContact NE2-OE1 2.84Å; Q467-E471 WeakPolarHBondContact O-CB 3.28Å; Q467-E471 WeakPolarHBondContact O-CG 3.42Å; Q467-E471 PolarHBondContact O-N 3.27Å; E471-S474 PolarHBondContact O-N 3.29Å; E471-S475 WeakPolarHBondContact O-CB 3.33Å; E471-S475 PolarHBondContact O-N 2.96Å; E471-S475 PolarHBondContact O-OG 2.79Å; E471-K1050 VanDerWaalsContact CD-NZ 3.3Å; E471-K1050 IonicContact OE1-NZ 3.88Å; E471-K1050 PolarHBondContact OE1-NZ 3.36Å; E471-K1050 IonicContact OE2-NZ 3.63Å; E471-K1050 PolarHBondContact OE2-NZ 2.86Å; E471-L1107 HydrophobicContact CG-CD2 3.89Å |
| 472 | Y | 83.7 | Confident | 68.9 | Low | 8 Ų | 8 | 31 Ų | 31 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.2 | -43 | 177.2 | -170.6 | -92.3 | 0 | 0 | 0 | 111.8 | L468 S474 S475 S476 N1042 L1047 L1076 I1080 | L468-Y472 VanDerWaalsContact O-CB 3.25Å; L468-Y472 WeakPolarHBondContact O-CB 3.34Å; L468-Y472 PolarHBondContact O-N 3.32Å; Y472-S474 PolarHBondContact O-N 3.31Å; Y472-S475 WeakPolarHBondContact CA-OG 3.43Å; Y472-S475 PolarHBondContact O-N 3.5Å; Y472-S475 PolarHBondContact O-OG 2.92Å; Y472-S476 VanDerWaalsContact O-CB 3.24Å; Y472-S476 WeakPolarHBondContact O-CB 3.38Å; Y472-S476 PolarHBondContact O-N 3.04Å; Y472-N1042 WeakPolarHBondContact CE2-O 3.47Å; Y472-N1042 VanDerWaalsContact CZ-O 3.27Å; Y472-N1042 PolarHBondContact OH-O 2.94Å; Y472-L1047 HydrophobicContact CD2-CB 4.2Å; Y472-L1047 HydrophobicContact CD2-CD1 4.34Å; Y472-L1047 HydrophobicContact CD2-CD2 4.16Å; Y472-L1047 HydrophobicContact CD2-CG 4.47Å; Y472-L1047 HydrophobicContact CE2-CB 4.32Å; Y472-L1047 HydrophobicContact CE2-CD2 3.94Å; Y472-L1076 HydrophobicContact CD1-CB 3.56Å; Y472-L1076 HydrophobicContact CD1-CD1 3.99Å; Y472-L1076 HydrophobicContact CD1-CG 4.26Å; Y472-L1076 HydrophobicContact CD2-CD1 3.88Å; Y472-L1076 HydrophobicContact CE1-CB 3.61Å; Y472-L1076 HydrophobicContact CE1-CD1 4.45Å; Y472-L1076 HydrophobicContact CE2-CD1 4.37Å; Y472-L1076 HydrophobicContact CG-CB 4.16Å; Y472-L1076 HydrophobicContact CG-CD1 3.67Å; Y472-L1076 HydrophobicContact CG-CG 4.4Å; Y472-I1080 HydrophobicContact CD1-CD1 3.69Å; Y472-I1080 HydrophobicContact CE1-CD1 4.24Å |
| 473 | G | 75.9 | Confident | 66.8 | Low | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.5 | -32.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | I469 I470 G477 | I469-G473 PolarHBondContact O-N 3.07Å; I470-G473 PolarHBondContact O-N 3.23Å; G473-G477 PolarHBondContact O-N 3.03Å; G473-G477 VanDerWaalsContact O-N 3.11Å |
| 474 | S | 72.5 | Confident | 64.8 | Low | 25 Ų | 25 | 32.7 Ų | 32.7 | 18% | 0.175 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.2 | -39.9 | 175.3 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | I470 E471 Y472 S478 R1105 | I470-S474 VanDerWaalsContact O-CB 3.29Å; I470-S474 WeakPolarHBondContact O-CB 3.22Å; I470-S474 PolarHBondContact O-N 2.69Å; I470-S474 PolarHBondContact O-OG 2.68Å; E471-S474 PolarHBondContact O-N 3.29Å; Y472-S474 PolarHBondContact O-N 3.31Å; S474-S478 PolarHBondContact O-N 2.81Å; S474-S478 VanDerWaalsContact O-N 3.12Å; S474-R1105 PolarHBondContact OG-O 3.02Å |
| 475 | S | 61.4 | Low | 62.7 | Low | 35 Ų | 35 | 36 Ų | 36 | 25% | 0.245 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -74.1 | -43.2 | 179.2 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | E471 Y472 G477 S478 | E471-S475 WeakPolarHBondContact O-CB 3.33Å; E471-S475 PolarHBondContact O-N 2.96Å; E471-S475 PolarHBondContact O-OG 2.79Å; Y472-S475 WeakPolarHBondContact CA-OG 3.43Å; Y472-S475 PolarHBondContact O-N 3.5Å; Y472-S475 PolarHBondContact O-OG 2.92Å; S475-G477 PolarHBondContact O-N 3.46Å; S475-S478 PolarHBondContact O-N 3.36Å |
| 476 | S | 52.2 | Low | 60.7 | Low | 16 Ų | 16 | 38.7 Ų | 38.7 | 11% | 0.112 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -28.7 | 173.9 | -178.7 | 0 | 0 | 0 | 0 | 112.8 | Y472 T480 | Y472-S476 VanDerWaalsContact O-CB 3.24Å; Y472-S476 WeakPolarHBondContact O-CB 3.38Å; Y472-S476 PolarHBondContact O-N 3.04Å; S476-T480 PolarHBondContact O-OG1 2.76Å |
| 477 | G | 41.7 | Very low | 59.3 | Low | 6 Ų | 6 | 39.1 Ų | 39.1 | 6% | 0.062 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -80.6 | -29.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G473 S475 V479 T480 N481 | G473-G477 PolarHBondContact O-N 3.03Å; G473-G477 VanDerWaalsContact O-N 3.11Å; S475-G477 PolarHBondContact O-N 3.46Å; G477-V479 PolarHBondContact O-N 2.87Å; G477-V479 VanDerWaalsContact O-N 3.15Å; G477-T480 PolarHBondContact O-N 3.2Å; G477-N481 PolarHBondContact O-N 3.08Å |
| 478 | S | 38.2 | Very low | 58.1 | Low | 67 Ų | 67 | 35.6 Ų | 35.6 | 47% | 0.469 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62 | -26.6 | -173.8 | -172.5 | 0 | 0 | 0 | 0 | 113.8 | S474 S475 | S474-S478 PolarHBondContact O-N 2.81Å; S474-S478 VanDerWaalsContact O-N 3.12Å; S475-S478 PolarHBondContact O-N 3.36Å |
| 479 | V | 38.2 | Very low | 56.9 | Low | 57 Ų | 57 | 35.6 Ų | 35.6 | 35% | 0.345 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -101.4 | -40.4 | 174 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | G477 Q497 | G477-V479 PolarHBondContact O-N 2.87Å; G477-V479 VanDerWaalsContact O-N 3.15Å; V479-Q497 PolarHBondContact O-OE1 3.07Å |
| 480 | T | 38 | Very low | 55.7 | Low | 16 Ų | 16 | 36.1 Ų | 36.1 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -89.9 | -15.3 | -170.6 | 70.2 | 0 | 0 | 0 | 0 | 116.4 | S476 G477 K772 | S476-T480 PolarHBondContact O-OG1 2.76Å; G477-T480 PolarHBondContact O-N 3.2Å; T480-K772 PolarHBondContact OG1-NZ 2.99Å |
| 481 | N | 38.3 | Very low | 54.6 | Low | 50 Ų | 50 | 43.5 Ų | 43.5 | 27% | 0.267 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | 8.7 | 176.4 | -87.5 | 3.8 | 0 | 0 | 0 | 113.8 | G477 N483 N1102 | G477-N481 PolarHBondContact O-N 3.08Å; N481-N483 PolarHBondContact O-N 2.74Å; N481-N1102 PolarHBondContact ND2-O 3.43Å; N481-N1102 VanDerWaalsContact ND2-O 3.15Å |
| 482 | K | 37 | Very low | 53.9 | Low | 120 Ų | 120 | 44.3 Ų | 44.3 | 52% | 0.522 | 24% | 0.24 | S | C | . | . | -69.3 | 81.6 | 129.7 | -73.8 | -171.5 | -178.1 | -172.6 | 0 | 105.7 | D484 | K482-D484 HydrophobicContact CB-CB 4.03Å; K482-D484 VanDerWaalsContact CB-N 3.32Å; K482-D484 HydrophobicContact CD-CB 4.48Å; K482-D484 PolarHBondContact O-N 3.3Å | |||
| 483 | N | 37.6 | Very low | 53.5 | Low | 44 Ų | 44 | 44.3 Ų | 44.3 | 24% | 0.235 | 24% | 0.241 | C | C | . | . | -21.9 | 61.7 | 84.4 | -67.4 | -14.9 | 0 | 0 | 0 | 111.4 | N481 P485 | N481-N483 PolarHBondContact O-N 2.74Å; N483-P485 VanDerWaalsContact C-N 3.32Å; N483-P485 WeakPolarHBondContact O-CD 3.16Å | |||
| 484 | D | 40.1 | Very low | 53.4 | Low | 56 Ų | 56 | 44.7 Ų | 44.7 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | trans | -58.5 | 116.8 | 159.3 | -144.9 | -25 | 0 | 0 | 0 | 99.5 | K482 N486 L487 | K482-D484 HydrophobicContact CB-CB 4.03Å; K482-D484 VanDerWaalsContact CB-N 3.32Å; K482-D484 HydrophobicContact CD-CB 4.48Å; K482-D484 PolarHBondContact O-N 3.3Å; D484-N486 HydrophobicContact CB-CB 4.13Å; D484-N486 PolarHBondContact O-N 3.25Å; D484-N486 PolarHBondContact OD1-ND2 3.44Å; D484-L487 PolarHBondContact O-N 2.87Å | ||
| 485 | P | 44.3 | Very low | 53.4 | Low | 109 Ų | 109 | 43.6 Ų | 43.6 | 71% | 0.708 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -11.1 | 174.8 | -19.8 | 32.1 | 0 | 0 | 0 | 111.1 | N483 | N483-P485 VanDerWaalsContact C-N 3.32Å; N483-P485 WeakPolarHBondContact O-CD 3.16Å |
| 486 | N | 48.4 | Very low | 53.7 | Low | 57 Ų | 57 | 44 Ų | 44 | 31% | 0.305 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -16.1 | 179 | -57.6 | -38.6 | 0 | 0 | 0 | 115.6 | D484 P488 H735 | D484-N486 HydrophobicContact CB-CB 4.13Å; D484-N486 PolarHBondContact O-N 3.25Å; D484-N486 PolarHBondContact OD1-ND2 3.44Å; N486-P488 WeakPolarHBondContact O-CD 3.43Å; N486-H735 WeakPolarHBondContact O-CB 3.43Å; N486-H735 PolarHBondContact O-CD2 2.83Å; N486-H735 VanDerWaalsContact O-CD2 3.26Å; N486-H735 PolarHBondContact O-CE1 2.86Å; N486-H735 PolarHBondContact O-ND1 2.89Å |
| 487 | L | 59 | Low | 54.5 | Low | 22 Ų | 22 | 44.6 Ų | 44.6 | 12% | 0.115 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -99.1 | 108.6 | 174.9 | -139.5 | 86.1 | 0 | 0 | 0 | 111.2 | D484 S490 Q497 Y755 | D484-L487 PolarHBondContact O-N 2.87Å; L487-S490 PolarHBondContact O-OG 3.48Å; L487-S490 VanDerWaalsContact O-OG 3.12Å; L487-Q497 HydrophobicContact CD2-CB 4.45Å; L487-Q497 WeakPolarHBondContact CD2-O 3.23Å; L487-Y755 HydrophobicContact CD1-CD1 4.15Å; L487-Y755 HydrophobicContact CD1-CE1 3.6Å; L487-Y755 HydrophobicContact CG-CE1 4.21Å |
| 488 | P | 62.8 | Low | 56.4 | Low | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 139.6 | -171.2 | -23.8 | 36.6 | 0 | 0 | 0 | 112.8 | N486 S490 I708 E731 E732 H735 | N486-P488 WeakPolarHBondContact O-CD 3.43Å; P488-S490 PolarHBondContact O-N 2.89Å; P488-I708 WeakPolarHBondContact O-CD1 3.34Å; P488-E731 WeakPolarHBondContact CA-OE2 3.47Å; P488-E731 HydrophobicContact CB-CB 3.69Å; P488-E731 HydrophobicContact CG-CB 4.2Å; P488-E732 HydrophobicContact CB-CB 4.14Å; P488-E732 HydrophobicContact CG-CB 3.62Å; P488-E732 HydrophobicContact CG-CG 4.23Å; P488-E732 VanDerWaalsContact CG-N 3.32Å; P488-H735 HydrophobicContact CG-CB 4.38Å |
| 489 | G | 63 | Low | 58.7 | Low | 4 Ų | 4 | 41.6 Ų | 41.6 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | -4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | R491 H492 S493 E731 | G489-R491 PolarHBondContact O-N 3.08Å; G489-R491 VanDerWaalsContact O-N 3.14Å; G489-H492 PolarHBondContact O-N 2.92Å; G489-H492 VanDerWaalsContact O-N 3.15Å; G489-S493 WeakPolarHBondContact O-CB 3.36Å; G489-S493 PolarHBondContact O-N 2.93Å; G489-E731 PolarHBondContact N-OE2 2.87Å |
| 490 | S | 65.7 | Low | 61.1 | Low | 11 Ų | 11 | 38.9 Ų | 38.9 | 8% | 0.077 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -40 | -175.4 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | L487 P488 H492 S493 N496 | L487-S490 PolarHBondContact O-OG 3.48Å; L487-S490 VanDerWaalsContact O-OG 3.12Å; P488-S490 PolarHBondContact O-N 2.89Å; S490-H492 VanDerWaalsContact C-N 3.3Å; S490-H492 PolarHBondContact O-N 3.34Å; S490-S493 PolarHBondContact O-N 2.79Å; S490-S493 PolarHBondContact O-OG 2.97Å; S490-N496 WeakPolarHBondContact CA-O 3.5Å; S490-N496 VanDerWaalsContact CB-O 3.24Å; S490-N496 WeakPolarHBondContact CB-O 3.26Å |
| 491 | R | 63.3 | Low | 63.6 | Low | 155 Ų | 155 | 40.5 Ų | 40.5 | 59% | 0.585 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -34.5 | -179.2 | -68.2 | 179.9 | 178.2 | 156.3 | 0.5 | 115.1 | G489 | G489-R491 PolarHBondContact O-N 3.08Å; G489-R491 VanDerWaalsContact O-N 3.14Å |
| 492 | H | 70.3 | Confident | 66 | Low | 68 Ų | 68 | 38.5 Ų | 38.5 | 32% | 0.315 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -8.4 | -175 | -59.6 | -64.7 | 0 | 0 | 0 | 112.7 | G489 S490 L710 I718 | G489-H492 PolarHBondContact O-N 2.92Å; G489-H492 VanDerWaalsContact O-N 3.15Å; S490-H492 VanDerWaalsContact C-N 3.3Å; S490-H492 PolarHBondContact O-N 3.34Å; H492-L710 HydrophobicContact CB-CD2 4.12Å; H492-I718 HydrophobicContact CB-CD1 3.94Å; H492-I718 HydrophobicContact CB-CG1 4.04Å |
| 493 | S | 74.8 | Confident | 68.3 | Low | 8 Ų | 8 | 36.8 Ų | 36.8 | 6% | 0.056 | 20% | 0.196 | C | C | . | . | trans | -74.8 | 155.3 | 179 | 76 | 0 | 0 | 0 | 0 | 113.3 | G489 S490 N496 I709 | G489-S493 WeakPolarHBondContact O-CB 3.36Å; G489-S493 PolarHBondContact O-N 2.93Å; S490-S493 PolarHBondContact O-N 2.79Å; S490-S493 PolarHBondContact O-OG 2.97Å; S493-N496 WeakPolarHBondContact OG-CA 3.32Å; S493-N496 PolarHBondContact OG-N 2.88Å; S493-N496 PolarHBondContact OG-O 2.99Å; S493-I709 CarbonylContact C-O 3.51Å; S493-I709 VanDerWaalsContact CA-O 3.31Å; S493-I709 WeakPolarHBondContact CA-O 3.42Å; S493-I709 VanDerWaalsContact CB-O 3.29Å; S493-I709 WeakPolarHBondContact CB-O 3.48Å | ||
| 494 | I | 75.2 | Confident | 70.6 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 6% | 0.062 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -82.6 | -28.7 | 170.9 | -43 | 169.2 | 0 | 0 | 0 | 110.4 | N496 I697 L702 I709 D711 F765 | I494-N496 VanDerWaalsContact C-N 3.3Å; I494-I697 HydrophobicContact CD1-CD1 4.34Å; I494-I697 HydrophobicContact CD1-CG2 4.16Å; I494-L702 HydrophobicContact CD1-CD2 4.3Å; I494-I709 HydrophobicContact CD1-CG2 4.21Å; I494-I709 PolarHBondContact N-O 3.49Å; I494-D711 HydrophobicContact CD1-CB 3.38Å; I494-D711 VanDerWaalsContact CD1-CG 3.46Å; I494-D711 HydrophobicContact CG1-CB 4.05Å; I494-F765 HydrophobicContact CB-CZ 4.34Å; I494-F765 HydrophobicContact CG2-CZ 3.88Å |
| 495 | S | 70.7 | Confident | 73.1 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -81.9 | -9.4 | 179.8 | 67.4 | 0 | 0 | 0 | 0 | 114.1 | Q497 F498 I709 | S495-Q497 PolarHBondContact O-N 2.87Å; S495-F498 WeakPolarHBondContact CB-O 3.26Å; S495-F498 PolarHBondContact O-N 3.31Å; S495-F498 PolarHBondContact OG-O 3.47Å; S495-I709 PolarHBondContact OG-N 3.28Å; S495-I709 VanDerWaalsContact OG-N 3.1Å |
| 496 | N | 68.2 | Low | 75.4 | Confident | 45 Ų | 45 | 35 Ų | 35 | 24% | 0.241 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -102.6 | 177.6 | -151.6 | 38 | 0 | 0 | 0 | 111.3 | S490 S493 I494 | S490-N496 WeakPolarHBondContact CA-O 3.5Å; S490-N496 VanDerWaalsContact CB-O 3.24Å; S490-N496 WeakPolarHBondContact CB-O 3.26Å; S493-N496 WeakPolarHBondContact OG-CA 3.32Å; S493-N496 PolarHBondContact OG-N 2.88Å; S493-N496 PolarHBondContact OG-O 2.99Å; I494-N496 VanDerWaalsContact C-N 3.3Å |
| 497 | Q | 70 | Confident | 77.5 | Confident | 27 Ų | 27 | 33.4 Ų | 33.4 | 13% | 0.126 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -9.8 | 176.5 | 65.6 | 178.5 | -5.2 | 0 | 0 | 113.7 | V479 L487 S495 T760 | V479-Q497 PolarHBondContact O-OE1 3.07Å; L487-Q497 HydrophobicContact CD2-CB 4.45Å; L487-Q497 WeakPolarHBondContact CD2-O 3.23Å; S495-Q497 PolarHBondContact O-N 2.87Å; Q497-T760 WeakPolarHBondContact O-CB 3.36Å; Q497-T760 WeakPolarHBondContact O-CG2 3.01Å |
| 498 | F | 80.7 | Confident | 79.1 | Confident | 10 Ų | 10 | 33.5 Ų | 33.5 | 4% | 0.044 | 18% | 0.179 | C | C | . | . | trans | -89.5 | 140.4 | -174.9 | -63.7 | -79.6 | 0 | 0 | 0 | 110.6 | S495 T760 V762 L770 L1034 L1038 | S495-F498 WeakPolarHBondContact CB-O 3.26Å; S495-F498 PolarHBondContact O-N 3.31Å; S495-F498 PolarHBondContact OG-O 3.47Å; F498-T760 WeakPolarHBondContact CA-O 3.26Å; F498-V762 HydrophobicContact CB-CG1 4.32Å; F498-V762 HydrophobicContact CB-CG2 4.09Å; F498-V762 HydrophobicContact CD1-CG1 3.68Å; F498-V762 HydrophobicContact CE1-CG1 4.4Å; F498-V762 HydrophobicContact CG-CG1 4.27Å; F498-L770 HydrophobicContact CD2-CD2 3.33Å; F498-L770 HydrophobicContact CD2-CG 4.5Å; F498-L770 HydrophobicContact CE2-CD2 3.44Å; F498-L770 VanDerWaalsContact CE2-CD2 3.44Å; F498-L770 HydrophobicContact CG-CD2 4.06Å; F498-L770 HydrophobicContact CZ-CD2 4.27Å; F498-L1034 HydrophobicContact CE1-CD1 4.4Å; F498-L1038 HydrophobicContact CE2-CD2 3.81Å; F498-L1038 HydrophobicContact CZ-CD2 3.59Å | ||
| 499 | V | 86.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.4 | -178.8 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | N706 I708 Y755 T760 I761 V762 | V499-N706 WeakPolarHBondContact CG1-O 3.34Å; V499-I708 HydrophobicContact CG2-CG1 4.02Å; V499-Y755 HydrophobicContact CG1-CD2 4.44Å; V499-Y755 HydrophobicContact CG2-CD1 4.08Å; V499-Y755 HydrophobicContact CG2-CE1 4.33Å; V499-Y755 HydrophobicContact CG2-CG 4.21Å; V499-T760 PolarHBondContact N-O 3Å; V499-I761 HydrophobicContact CB-CG1 4.39Å; V499-I761 CarbonylContact O-C 3.54Å; V499-I761 VanDerWaalsContact O-CA 3.26Å; V499-I761 WeakPolarHBondContact O-CA 2.98Å; V499-V762 PolarHBondContact O-N 3.4Å |
| 500 | L | 89.7 | Confident | 81.8 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 135.7 | 175.4 | -171.4 | 74.7 | 0 | 0 | 0 | 110.1 | L502 F688 L694 L704 G707 V762 F765 | L500-L502 HydrophobicContact CD2-CD2 4.22Å; L500-L502 PolarHBondContact O-N 2.99Å; L500-F688 HydrophobicContact CD2-CZ 4.07Å; L500-L694 HydrophobicContact CD2-CD1 3.64Å; L500-L694 HydrophobicContact CD2-CD2 4.39Å; L500-L694 HydrophobicContact CD2-CG 4.12Å; L500-L704 HydrophobicContact CB-CD2 4.28Å; L500-L704 HydrophobicContact CD2-CD2 4.09Å; L500-G707 PolarHBondContact N-O 2.86Å; L500-V762 CarbonylContact C-O 3.45Å; L500-V762 WeakPolarHBondContact CA-O 3.42Å; L500-F765 HydrophobicContact CD1-CB 4.01Å |
| 501 | D | 89.1 | Confident | 83 | Confident | 49 Ų | 49 | 35.5 Ų | 35.5 | 26% | 0.262 | 18% | 0.184 | S | C | . | . | trans | -68.6 | 114.1 | 172.3 | -172.3 | -1.7 | 0 | 0 | 0 | 110.6 | S503 I761 V762 | D501-S503 VanDerWaalsContact CG-OG 3.24Å; D501-S503 VanDerWaalsContact OD1-CB 3.23Å; D501-S503 WeakPolarHBondContact OD1-CB 3.26Å; D501-S503 PolarHBondContact OD1-N 3.09Å; D501-S503 PolarHBondContact OD1-OG 2.98Å; D501-S503 PolarHBondContact OD2-OG 3.3Å; D501-I761 HydrophobicContact CB-CG2 3.66Å; D501-V762 PolarHBondContact N-O 3.14Å | ||
| 502 | L | 88.7 | Confident | 84.4 | Confident | 9 Ų | 9 | 29.6 Ų | 29.6 | 5% | 0.047 | 16% | 0.164 | C | C | . | . | trans | -99.3 | 0.4 | -179.4 | -63.7 | 172.3 | 0 | 0 | 0 | 113.2 | L500 N504 A505 I549 F688 L704 F752 | L500-L502 HydrophobicContact CD2-CD2 4.22Å; L500-L502 PolarHBondContact O-N 2.99Å; L502-N504 PolarHBondContact O-N 3.41Å; L502-A505 HydrophobicContact CB-CB 4.43Å; L502-A505 HydrophobicContact CD2-CB 4.19Å; L502-A505 WeakPolarHBondContact O-CB 3.47Å; L502-A505 PolarHBondContact O-N 3.18Å; L502-A505 VanDerWaalsContact O-N 3.1Å; L502-I549 HydrophobicContact CD1-CD1 3.32Å; L502-I549 HydrophobicContact CD2-CD1 4.13Å; L502-I549 HydrophobicContact CG-CD1 4.27Å; L502-F688 HydrophobicContact CD2-CZ 4.39Å; L502-L704 HydrophobicContact CD2-CD1 4.18Å; L502-F752 HydrophobicContact CB-CE1 4Å; L502-F752 HydrophobicContact CB-CZ 4Å; L502-F752 HydrophobicContact CD1-CE1 3.81Å; L502-F752 HydrophobicContact CD1-CZ 3.76Å; L502-F752 HydrophobicContact CG-CE1 4.25Å; L502-F752 HydrophobicContact CG-CZ 4.43Å | ||
| 503 | S | 85.8 | Confident | 85.5 | Confident | 84 Ų | 84 | 26.4 Ų | 26.4 | 59% | 0.587 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -33.6 | -175 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | D501 | D501-S503 VanDerWaalsContact CG-OG 3.24Å; D501-S503 VanDerWaalsContact OD1-CB 3.23Å; D501-S503 WeakPolarHBondContact OD1-CB 3.26Å; D501-S503 PolarHBondContact OD1-N 3.09Å; D501-S503 PolarHBondContact OD1-OG 2.98Å; D501-S503 PolarHBondContact OD2-OG 3.3Å |
| 504 | N | 87 | Confident | 86.3 | Confident | 114 Ų | 114 | 29.3 Ų | 29.3 | 61% | 0.61 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 18.3 | 179.3 | -64.8 | -50.5 | 0 | 0 | 0 | 113.2 | L502 R691 | L502-N504 PolarHBondContact O-N 3.41Å; N504-R691 PolarHBondContact O-NH2 3.13Å |
| 505 | A | 90.9 | Very high | 87 | Confident | 18 Ų | 18 | 33.3 Ų | 33.3 | 15% | 0.149 | 19% | 0.187 | C | C | . | . | trans | -80 | 127.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L502 I507 F688 | L502-A505 HydrophobicContact CB-CB 4.43Å; L502-A505 HydrophobicContact CD2-CB 4.19Å; L502-A505 WeakPolarHBondContact O-CB 3.47Å; L502-A505 PolarHBondContact O-N 3.18Å; L502-A505 VanDerWaalsContact O-N 3.1Å; A505-I507 VanDerWaalsContact C-N 3.26Å; A505-I507 HydrophobicContact CB-CD1 3.67Å; A505-I507 HydrophobicContact CB-CG1 3.7Å; A505-I507 PolarHBondContact O-N 3.12Å; A505-F688 HydrophobicContact CB-CD2 4.15Å; A505-F688 HydrophobicContact CB-CE1 4.1Å; A505-F688 HydrophobicContact CB-CE2 3.55Å; A505-F688 HydrophobicContact CB-CZ 3.52Å | ||
| 506 | P | 93.7 | Very high | 87.9 | Confident | 39 Ų | 39 | 34.3 Ų | 34.3 | 25% | 0.253 | 19% | 0.192 | S | C | . | . | trans | -75.3 | 81.2 | 173.3 | 30.4 | -29.9 | 0 | 0 | 0 | 108.5 | S684 H685 F688 | P506-S684 WeakPolarHBondContact CG-O 3.23Å; P506-H685 PolarHBondContact O-CD2 3.09Å; P506-H685 PolarHBondContact O-NE2 2.82Å; P506-F688 HydrophobicContact CG-CB 3.74Å; P506-F688 HydrophobicContact CG-CG 4.28Å | ||
| 507 | I | 93.1 | Very high | 88.9 | Confident | 24 Ų | 24 | 36.5 Ų | 36.5 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | trans | -98.2 | 127.5 | -177.7 | -60.4 | 159.6 | 0 | 0 | 0 | 109.2 | A505 Y509 I549 I581 | A505-I507 VanDerWaalsContact C-N 3.26Å; A505-I507 HydrophobicContact CB-CD1 3.67Å; A505-I507 HydrophobicContact CB-CG1 3.7Å; A505-I507 PolarHBondContact O-N 3.12Å; I507-Y509 HydrophobicContact CB-CD2 4.12Å; I507-Y509 HydrophobicContact CB-CE2 3.74Å; I507-Y509 HydrophobicContact CD1-CE2 4.21Å; I507-Y509 WeakPolarHBondContact CD1-OH 3.5Å; I507-Y509 HydrophobicContact CG2-CD1 3.98Å; I507-Y509 HydrophobicContact CG2-CD2 3.87Å; I507-Y509 HydrophobicContact CG2-CE1 3.83Å; I507-Y509 HydrophobicContact CG2-CE2 3.72Å; I507-Y509 HydrophobicContact CG2-CG 4.01Å; I507-Y509 PolarHBondContact O-N 2.92Å; I507-I549 HydrophobicContact CD1-CD1 3.57Å; I507-I549 HydrophobicContact CD1-CG1 4.01Å; I507-I549 HydrophobicContact CG1-CD1 4.48Å; I507-I549 HydrophobicContact CG1-CG2 4.4Å; I507-I549 HydrophobicContact CG2-CG1 4.23Å; I507-I549 HydrophobicContact CG2-CG2 4.43Å; I507-I581 HydrophobicContact CG1-CD1 4.03Å; I507-I581 HydrophobicContact CG1-CG1 4.24Å | ||
| 508 | S | 91.1 | Very high | 89.7 | Confident | 23 Ų | 23 | 35.5 Ų | 35.5 | 16% | 0.161 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 96.1 | 169.2 | -126.1 | 0 | 0 | 0 | 0 | 109.2 | G579 I580 E681 | S508-G579 WeakPolarHBondContact O-CA 3.41Å; S508-I580 PolarHBondContact N-O 3.18Å; S508-I580 VanDerWaalsContact N-O 3.17Å; S508-I580 PolarHBondContact O-N 3.46Å; S508-E681 VanDerWaalsContact CB-OE1 3.24Å; S508-E681 WeakPolarHBondContact CB-OE1 3.13Å; S508-E681 PolarHBondContact OG-OE1 3.36Å |
| 509 | Y | 92 | Very high | 90.1 | Very high | 54 Ų | 54 | 35 Ų | 35 | 21% | 0.212 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 135 | -179.5 | -74.7 | -75.6 | 0 | 0 | 0 | 112.1 | I507 R577 | I507-Y509 HydrophobicContact CB-CD2 4.12Å; I507-Y509 HydrophobicContact CB-CE2 3.74Å; I507-Y509 HydrophobicContact CD1-CE2 4.21Å; I507-Y509 WeakPolarHBondContact CD1-OH 3.5Å; I507-Y509 HydrophobicContact CG2-CD1 3.98Å; I507-Y509 HydrophobicContact CG2-CD2 3.87Å; I507-Y509 HydrophobicContact CG2-CE1 3.83Å; I507-Y509 HydrophobicContact CG2-CE2 3.72Å; I507-Y509 HydrophobicContact CG2-CG 4.01Å; I507-Y509 PolarHBondContact O-N 2.92Å; Y509-R577 HydrophobicContact CD1-CG 3.95Å; Y509-R577 VanDerWaalsContact CD1-NE 3.28Å; Y509-R577 VanDerWaalsContact CD2-NH2 3.31Å; Y509-R577 HydrophobicContact CE1-CG 4.23Å |
| 510 | M | 90.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -88.2 | -29.3 | -179.7 | -43.9 | -165.2 | 88.5 | 0 | 0 | 112.1 | T566 L570 F578 I580 G622 S623 L630 | M510-T566 HydrophobicContact SD-CG2 3.91Å; M510-L570 HydrophobicContact CB-CD1 3.8Å; M510-L570 HydrophobicContact CG-CD1 4.49Å; M510-L570 HydrophobicContact SD-CD1 3.97Å; M510-F578 HydrophobicContact CG-CB 4.38Å; M510-F578 PolarHBondContact N-O 3.45Å; M510-F578 HydrophobicContact SD-CB 4.4Å; M510-I580 HydrophobicContact CE-CD1 3.84Å; M510-I580 HydrophobicContact SD-CD1 3.81Å; M510-I580 HydrophobicContact SD-CG1 4.28Å; M510-G622 CarbonylContact O-C 3.57Å; M510-G622 WeakPolarHBondContact O-CA 3.42Å; M510-S623 PolarHBondContact O-N 3.46Å; M510-L630 HydrophobicContact CE-CB 3.51Å; M510-L630 HydrophobicContact CE-CD1 3.88Å; M510-L630 HydrophobicContact CE-CD2 3.53Å; M510-L630 HydrophobicContact CE-CG 3.79Å; M510-L630 HydrophobicContact SD-CD2 4.13Å |
| 511 | N | 92 | Very high | 90.2 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | trans | -143.3 | 164.3 | 175.5 | 67.1 | -28.3 | 0 | 0 | 0 | 111.8 | D516 Y519 L570 V576 R577 F578 | N511-D516 WeakPolarHBondContact CA-OD2 2.98Å; N511-Y519 HydrophobicContact CB-CE2 4.46Å; N511-Y519 PolarHBondContact ND2-OH 3.14Å; N511-L570 HydrophobicContact CB-CD2 3.73Å; N511-L570 WeakPolarHBondContact ND2-CD2 3.29Å; N511-V576 PolarHBondContact ND2-O 3.13Å; N511-R577 WeakPolarHBondContact O-CG 3.4Å; N511-R577 PolarHBondContact O-NE 3.4Å; N511-R577 VanDerWaalsContact O-NE 3.15Å; N511-R577 WeakPolarHBondContact OD1-CA 3.22Å; N511-F578 PolarHBondContact OD1-N 2.95Å | ||
| 512 | N | 92.3 | Very high | 90.3 | Very high | 32 Ų | 32 | 43.4 Ų | 43.4 | 17% | 0.171 | 25% | 0.246 | C | C | . | . | trans | -142.6 | 108.5 | 172 | -175 | -13.5 | 0 | 0 | 0 | 110.2 | E514 T515 D516 N544 | N512-E514 PolarHBondContact O-N 2.91Å; N512-E514 VanDerWaalsContact O-N 3.13Å; N512-E514 PolarHBondContact OD1-N 3.21Å; N512-E514 VanDerWaalsContact OD1-N 3.14Å; N512-T515 VanDerWaalsContact CB-OG1 3.28Å; N512-T515 WeakPolarHBondContact CB-OG1 3.35Å; N512-T515 PolarHBondContact ND2-OG1 2.97Å; N512-T515 PolarHBondContact O-N 2.8Å; N512-D516 PolarHBondContact N-OD2 2.73Å; N512-D516 WeakPolarHBondContact O-CB 3.49Å; N512-D516 PolarHBondContact O-N 3.39Å; N512-N544 PolarHBondContact OD1-ND2 2.93Å | ||
| 513 | L | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -21.4 | -174.1 | -60.2 | 167.6 | 0 | 0 | 0 | 112.9 | Y519 W522 R542 N544 P575 | L513-Y519 HydrophobicContact CD2-CD1 3.88Å; L513-Y519 HydrophobicContact CD2-CD2 4.07Å; L513-Y519 HydrophobicContact CD2-CE1 3.68Å; L513-Y519 HydrophobicContact CD2-CE2 3.89Å; L513-Y519 HydrophobicContact CD2-CG 4.06Å; L513-Y519 WeakPolarHBondContact O-CB 3.44Å; L513-W522 HydrophobicContact CD2-CZ3 4.06Å; L513-R542 WeakPolarHBondContact O-CG 3.29Å; L513-N544 WeakPolarHBondContact CB-OD1 3.41Å; L513-N544 PolarHBondContact N-OD1 3.4Å; L513-N544 VanDerWaalsContact N-OD1 3.1Å; L513-P575 WeakPolarHBondContact CD1-O 3.31Å |
| 514 | E | 91.9 | Very high | 90.8 | Very high | 69 Ų | 69 | 44.8 Ų | 44.8 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -31.5 | -177.6 | -68.1 | -179.6 | 177.1 | 0 | 0 | 112.9 | N512 R542 K543 N544 | N512-E514 PolarHBondContact O-N 2.91Å; N512-E514 VanDerWaalsContact O-N 3.13Å; N512-E514 PolarHBondContact OD1-N 3.21Å; N512-E514 VanDerWaalsContact OD1-N 3.14Å; E514-R542 PolarHBondContact O-NH1 3.27Å; E514-R542 VanDerWaalsContact O-NH1 3.1Å; E514-K543 WeakPolarHBondContact OE1-CD 3.34Å; E514-K543 IonicContact OE1-NZ 2.63Å; E514-N544 PolarHBondContact OE1-N 3.09Å |
| 515 | T | 91 | Very high | 91 | Very high | 97 Ų | 97 | 41.2 Ų | 41.2 | 60% | 0.595 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111 | -30 | -170.3 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | N512 | N512-T515 VanDerWaalsContact CB-OG1 3.28Å; N512-T515 WeakPolarHBondContact CB-OG1 3.35Å; N512-T515 PolarHBondContact ND2-OG1 2.97Å; N512-T515 PolarHBondContact O-N 2.8Å |
| 516 | D | 89.5 | Confident | 91 | Very high | 21 Ų | 21 | 40.5 Ų | 40.5 | 11% | 0.112 | 23% | 0.233 | C | C | . | . | trans | -70.4 | 138.3 | -171.1 | -60.2 | -11.7 | 0 | 0 | 0 | 110.8 | N511 N512 A518 Y519 G622 | N511-D516 WeakPolarHBondContact CA-OD2 2.98Å; N512-D516 PolarHBondContact N-OD2 2.73Å; N512-D516 WeakPolarHBondContact O-CB 3.49Å; N512-D516 PolarHBondContact O-N 3.39Å; D516-A518 PolarHBondContact O-N 2.72Å; D516-A518 VanDerWaalsContact O-N 3.15Å; D516-Y519 HydrophobicContact CB-CD2 3.75Å; D516-Y519 HydrophobicContact CB-CE2 3.86Å; D516-Y519 PolarHBondContact O-N 2.87Å; D516-Y519 VanDerWaalsContact O-N 3.07Å; D516-G622 VanDerWaalsContact OD2-CA 3.32Å; D516-G622 WeakPolarHBondContact OD2-CA 3.45Å | ||
| 517 | P | 87.7 | Confident | 90.8 | Very high | 91 Ų | 91 | 44.8 Ų | 44.8 | 59% | 0.591 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -57.1 | -33.3 | -176.9 | -23 | 29.9 | 0 | 0 | 0 | 113.5 | Y519 A520 G620 | P517-Y519 PolarHBondContact O-N 2.81Å; P517-Y519 VanDerWaalsContact O-N 3.15Å; P517-A520 WeakPolarHBondContact O-CB 3.47Å; P517-A520 PolarHBondContact O-N 3.3Å; P517-G620 WeakPolarHBondContact CD-O 3.44Å |
| 518 | A | 86.5 | Confident | 90.6 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -62.6 | -17.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | D516 Y521 G620 L621 | D516-A518 PolarHBondContact O-N 2.72Å; D516-A518 VanDerWaalsContact O-N 3.15Å; A518-Y521 WeakPolarHBondContact O-CE1 3.47Å; A518-Y521 PolarHBondContact O-OH 3.01Å; A518-G620 VanDerWaalsContact CB-O 3.25Å; A518-G620 WeakPolarHBondContact CB-O 3.49Å; A518-G620 PolarHBondContact N-O 3.03Å; A518-G620 VanDerWaalsContact N-O 3.1Å; A518-L621 HydrophobicContact CB-CB 4.14Å; A518-L621 HydrophobicContact CB-CD1 3.82Å |
| 519 | Y | 90.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -107.5 | 3.7 | 178.8 | -48.1 | -69.6 | 0 | 0 | 0 | 113.1 | N511 L513 D516 P517 Y521 W522 R542 M573 | N511-Y519 HydrophobicContact CB-CE2 4.46Å; N511-Y519 PolarHBondContact ND2-OH 3.14Å; L513-Y519 HydrophobicContact CD2-CD1 3.88Å; L513-Y519 HydrophobicContact CD2-CD2 4.07Å; L513-Y519 HydrophobicContact CD2-CE1 3.68Å; L513-Y519 HydrophobicContact CD2-CE2 3.89Å; L513-Y519 HydrophobicContact CD2-CG 4.06Å; L513-Y519 WeakPolarHBondContact O-CB 3.44Å; D516-Y519 HydrophobicContact CB-CD2 3.75Å; D516-Y519 HydrophobicContact CB-CE2 3.86Å; D516-Y519 PolarHBondContact O-N 2.87Å; D516-Y519 VanDerWaalsContact O-N 3.07Å; P517-Y519 PolarHBondContact O-N 2.81Å; P517-Y519 VanDerWaalsContact O-N 3.15Å; Y519-Y521 PolarHBondContact O-N 3.41Å; Y519-Y521 VanDerWaalsContact O-N 3.09Å; Y519-W522 HydrophobicContact CD1-CD2 4.35Å; Y519-W522 HydrophobicContact CD1-CE3 4.2Å; Y519-W522 AromaticContact CD1-CH2 3.94Å; Y519-W522 HydrophobicContact CD1-CH2 3.94Å; Y519-W522 HydrophobicContact CD1-CZ2 4.07Å; Y519-W522 HydrophobicContact CD1-CZ3 4.01Å; Y519-W522 HydrophobicContact CE1-CH2 4.22Å; Y519-W522 WeakPolarHBondContact O-CB 3.41Å; Y519-W522 PolarHBondContact O-N 3.25Å; Y519-R542 WeakPolarHBondContact O-CD 3.41Å; Y519-M573 HydrophobicContact CE1-CB 4.29Å |
| 520 | A | 89.1 | Confident | 90.1 | Very high | 64 Ų | 64 | 45.3 Ų | 45.3 | 53% | 0.529 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P517 W522 | P517-A520 WeakPolarHBondContact O-CB 3.47Å; P517-A520 PolarHBondContact O-N 3.3Å; A520-W522 VanDerWaalsContact C-N 3.31Å |
| 521 | Y | 90.1 | Very high | 89.6 | Confident | 148 Ų | 148 | 50 Ų | 50 | 58% | 0.58 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -5.3 | 178.4 | 44 | -87.2 | 0 | 0 | 0 | 113.7 | A518 Y519 M573 | A518-Y521 WeakPolarHBondContact O-CE1 3.47Å; A518-Y521 PolarHBondContact O-OH 3.01Å; Y519-Y521 PolarHBondContact O-N 3.41Å; Y519-Y521 VanDerWaalsContact O-N 3.09Å; Y521-M573 VanDerWaalsContact OH-CE 3.24Å; Y521-M573 WeakPolarHBondContact OH-CE 3.43Å; Y521-M573 PolarHBondContact OH-SD 3.19Å |
| 522 | W | 91.3 | Very high | 88.1 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 5% | 0.053 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -81.4 | 144.5 | 175.6 | -67.8 | 9.8 | 0 | 0 | 0 | 111.4 | L513 Y519 A520 R540 R542 M573 P575 | L513-W522 HydrophobicContact CD2-CZ3 4.06Å; Y519-W522 HydrophobicContact CD1-CD2 4.35Å; Y519-W522 HydrophobicContact CD1-CE3 4.2Å; Y519-W522 AromaticContact CD1-CH2 3.94Å; Y519-W522 HydrophobicContact CD1-CH2 3.94Å; Y519-W522 HydrophobicContact CD1-CZ2 4.07Å; Y519-W522 HydrophobicContact CD1-CZ3 4.01Å; Y519-W522 HydrophobicContact CE1-CH2 4.22Å; Y519-W522 WeakPolarHBondContact O-CB 3.41Å; Y519-W522 PolarHBondContact O-N 3.25Å; A520-W522 VanDerWaalsContact C-N 3.31Å; W522-R540 HydrophobicContact CD2-CB 3.92Å; W522-R540 HydrophobicContact CE3-CB 4.14Å; W522-R540 HydrophobicContact CG-CB 4.43Å; W522-R540 HydrophobicContact CH2-CB 4.32Å; W522-R540 HydrophobicContact CH2-CG 4.13Å; W522-R540 HydrophobicContact CZ2-CB 4.14Å; W522-R540 HydrophobicContact CZ2-CG 3.88Å; W522-R540 HydrophobicContact CZ3-CB 4.33Å; W522-R542 HydrophobicContact CB-CB 3.91Å; W522-R542 WeakPolarHBondContact O-CB 3.33Å; W522-M573 VanDerWaalsContact CH2-O 3.25Å; W522-M573 WeakPolarHBondContact CH2-O 3.27Å; W522-M573 HydrophobicContact CZ2-CB 4.37Å; W522-M573 WeakPolarHBondContact CZ2-O 3.14Å; W522-P575 HydrophobicContact CH2-CB 4Å; W522-P575 HydrophobicContact CZ3-CB 3.7Å |
| 523 | P | 92.5 | Very high | 86.7 | Confident | 59 Ų | 59 | 60.8 Ų | 60.8 | 38% | 0.383 | 33% | 0.326 | S | S | . | . | trans | -68.5 | 142.4 | 177.2 | 26.6 | -32.1 | 0 | 0 | 0 | 111.3 | T528 I541 R542 | P523-T528 HydrophobicContact CB-CG2 4.07Å; P523-T528 HydrophobicContact CG-CG2 3.44Å; P523-T528 VanDerWaalsContact CG-CG2 3.44Å; P523-I541 VanDerWaalsContact O-CG1 3.29Å; P523-I541 WeakPolarHBondContact O-CG1 3.4Å; P523-R542 PolarHBondContact O-N 3.25Å | ||
| 524 | S | 91.2 | Very high | 84.9 | Confident | 62 Ų | 62 | 70.3 Ų | 70.3 | 43% | 0.434 | 37% | 0.368 | S | S | . | . | trans | -100.6 | -3.1 | -177.5 | 58.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 525 | S | 91.9 | Very high | 83.4 | Confident | 40 Ų | 40 | 71.1 Ų | 71.1 | 28% | 0.28 | 38% | 0.381 | S | S | . | . | trans | -85 | 132.2 | -179.4 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | H527 T528 I541 | S525-H527 PolarHBondContact O-N 2.86Å; S525-H527 PolarHBondContact OG-N 3.4Å; S525-T528 VanDerWaalsContact O-CB 3.31Å; S525-T528 WeakPolarHBondContact O-CB 3.28Å; S525-T528 PolarHBondContact O-N 2.81Å; S525-T528 PolarHBondContact O-OG1 2.59Å; S525-I541 WeakPolarHBondContact O-CD1 3.22Å | ||
| 526 | L | 90.9 | Very high | 82.1 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -61 | -24 | 174.3 | -68.3 | 173.1 | 0 | 0 | 0 | 112.9 | T528 L529 I541 K543 L545 V740 L745 S746 N747 | L526-T528 PolarHBondContact O-N 2.9Å; L526-T528 VanDerWaalsContact O-N 3.14Å; L526-L529 HydrophobicContact CD2-CD1 4.1Å; L526-L529 VanDerWaalsContact O-CB 3.27Å; L526-L529 WeakPolarHBondContact O-CB 3.46Å; L526-L529 VanDerWaalsContact O-CG 3.25Å; L526-L529 WeakPolarHBondContact O-CG 3.39Å; L526-L529 PolarHBondContact O-N 3.43Å; L526-I541 HydrophobicContact CD2-CD1 4.23Å; L526-K543 HydrophobicContact CD2-CG 4.47Å; L526-L545 HydrophobicContact CD2-CD1 4.16Å; L526-L545 HydrophobicContact CD2-CD2 3.99Å; L526-V740 HydrophobicContact CB-CG1 4.46Å; L526-V740 HydrophobicContact CB-CG2 4.14Å; L526-V740 HydrophobicContact CD1-CG2 4.02Å; L526-L745 HydrophobicContact CD1-CD2 3.93Å; L526-L745 HydrophobicContact CD1-CG 3.97Å; L526-S746 WeakPolarHBondContact CD1-O 3.29Å; L526-N747 VanDerWaalsContact CB-OD1 3.31Å; L526-N747 WeakPolarHBondContact CB-OD1 3.22Å; L526-N747 VanDerWaalsContact CG-OD1 3.26Å; L526-N747 WeakPolarHBondContact CG-OD1 3.49Å; L526-N747 PolarHBondContact N-OD1 2.94Å |
| 527 | H | 89 | Confident | 81.3 | Confident | 130 Ų | 130 | 69.5 Ų | 69.5 | 60% | 0.602 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -61.5 | -22.3 | 174.6 | -91.2 | -68.3 | 0 | 0 | 0 | 113.2 | S525 L529 F530 | S525-H527 PolarHBondContact O-N 2.86Å; S525-H527 PolarHBondContact OG-N 3.4Å; H527-L529 PolarHBondContact O-N 3.17Å; H527-F530 PolarHBondContact O-N 3.02Å; H527-F530 VanDerWaalsContact O-N 3.14Å |
| 528 | T | 88.1 | Confident | 81 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 18% | 0.184 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -62.5 | -21.8 | 176 | -35.2 | 0 | 0 | 0 | 0 | 112 | P523 S525 L526 F530 N531 | P523-T528 HydrophobicContact CB-CG2 4.07Å; P523-T528 HydrophobicContact CG-CG2 3.44Å; P523-T528 VanDerWaalsContact CG-CG2 3.44Å; S525-T528 VanDerWaalsContact O-CB 3.31Å; S525-T528 WeakPolarHBondContact O-CB 3.28Å; S525-T528 PolarHBondContact O-N 2.81Å; S525-T528 PolarHBondContact O-OG1 2.59Å; L526-T528 PolarHBondContact O-N 2.9Å; L526-T528 VanDerWaalsContact O-N 3.14Å; T528-F530 PolarHBondContact O-N 3.43Å; T528-N531 WeakPolarHBondContact O-CB 3.3Å; T528-N531 PolarHBondContact O-N 2.7Å; T528-N531 VanDerWaalsContact O-N 3.17Å |
| 529 | L | 87.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -62.3 | -25.5 | 176.6 | -62.8 | 173.3 | 0 | 0 | 0 | 112.5 | L526 H527 R539 I541 L545 L733 V736 Q737 | L526-L529 HydrophobicContact CD2-CD1 4.1Å; L526-L529 VanDerWaalsContact O-CB 3.27Å; L526-L529 WeakPolarHBondContact O-CB 3.46Å; L526-L529 VanDerWaalsContact O-CG 3.25Å; L526-L529 WeakPolarHBondContact O-CG 3.39Å; L526-L529 PolarHBondContact O-N 3.43Å; H527-L529 PolarHBondContact O-N 3.17Å; L529-R539 HydrophobicContact CD2-CB 3.92Å; L529-R539 HydrophobicContact CD2-CG 4.22Å; L529-I541 HydrophobicContact CD2-CD1 4.14Å; L529-I541 HydrophobicContact CD2-CG2 4.28Å; L529-I541 HydrophobicContact CG-CD1 4.13Å; L529-L545 HydrophobicContact CD1-CD1 3.98Å; L529-L545 HydrophobicContact CD2-CD1 4.05Å; L529-L733 HydrophobicContact CB-CD1 4.37Å; L529-L733 HydrophobicContact CD2-CD1 3.78Å; L529-V736 HydrophobicContact CD1-CG1 3.65Å; L529-Q737 HydrophobicContact CB-CG 4.09Å; L529-Q737 PolarHBondContact O-NE2 3.08Å |
| 530 | F | 86.5 | Confident | 80.8 | Confident | 81 Ų | 81 | 76 Ų | 76 | 36% | 0.355 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -88.2 | -7.4 | 179.4 | -61.7 | -81.8 | 0 | 0 | 0 | 113.8 | H527 T528 Q737 V740 F741 | H527-F530 PolarHBondContact O-N 3.02Å; H527-F530 VanDerWaalsContact O-N 3.14Å; T528-F530 PolarHBondContact O-N 3.43Å; F530-Q737 HydrophobicContact CD1-CG 4.49Å; F530-Q737 HydrophobicContact CE1-CB 3.98Å; F530-Q737 HydrophobicContact CE1-CG 4.19Å; F530-Q737 HydrophobicContact CZ-CB 4.22Å; F530-Q737 HydrophobicContact CZ-CG 4.47Å; F530-Q737 VanDerWaalsContact CZ-O 3.3Å; F530-Q737 WeakPolarHBondContact CZ-O 3.31Å; F530-V740 HydrophobicContact CE2-CB 4.19Å; F530-V740 HydrophobicContact CE2-CG1 3.77Å; F530-V740 HydrophobicContact CZ-CB 4.28Å; F530-V740 HydrophobicContact CZ-CG1 4.26Å; F530-F741 HydrophobicContact CE1-CB 4.49Å; F530-F741 HydrophobicContact CZ-CB 4.18Å |
| 531 | N | 80.3 | Confident | 80.9 | Confident | 99 Ų | 99 | 73 Ų | 73 | 53% | 0.529 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -68.7 | 137.8 | 175.9 | -71.2 | -14.4 | 0 | 0 | 0 | 109.5 | T528 R539 | T528-N531 WeakPolarHBondContact O-CB 3.3Å; T528-N531 PolarHBondContact O-N 2.7Å; T528-N531 VanDerWaalsContact O-N 3.17Å; N531-R539 PolarHBondContact O-NE 3.49Å; N531-R539 PolarHBondContact O-NH1 3.34Å; N531-R539 PolarHBondContact O-NH2 3.1Å |
| 532 | F | 59.9 | Low | 81 | Confident | 187 Ų | 187 | 70 Ų | 70 | 82% | 0.82 | 37% | 0.365 | S | S | * | . | trans | -72.5 | 137.9 | 178.8 | -127.2 | -94.8 | 0 | 0 | 0 | 110.8 | ||||
| 533 | D | 63 | Low | 81.1 | Confident | 75 Ų | 75 | 70.7 Ų | 70.7 | 40% | 0.401 | 37% | 0.368 | S | S | . | . | trans | -131.9 | 123 | 169.1 | -174.1 | -20.1 | 0 | 0 | 0 | 104.9 | S535 | D533-S535 PolarHBondContact O-N 3.11Å; D533-S535 PolarHBondContact OD1-N 2.76Å; D533-S535 PolarHBondContact OD1-OG 3.15Å | ||
| 534 | F | 56 | Low | 81.1 | Confident | 201 Ų | 201 | 68.8 Ų | 68.8 | 88% | 0.882 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.8 | -172.1 | -94.9 | -89.7 | 0 | 0 | 0 | 112.8 | ||
| 535 | S | 60.2 | Low | 81.2 | Confident | 86 Ų | 86 | 66.1 Ų | 66.1 | 60% | 0.601 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -12.7 | -175 | 61.6 | 0 | 0 | 0 | 0 | 114.7 | D533 G537 | D533-S535 PolarHBondContact O-N 3.11Å; D533-S535 PolarHBondContact OD1-N 2.76Å; D533-S535 PolarHBondContact OD1-OG 3.15Å; S535-G537 PolarHBondContact O-N 3.29Å; S535-G537 VanDerWaalsContact O-N 3.17Å; S535-G537 PolarHBondContact OG-N 3.16Å |
| 536 | G | 62.9 | Low | 81.3 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 57% | 0.567 | 32% | 0.322 | S | S | * | . | trans | 65.7 | 9.2 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | M730 | G536-M730 WeakPolarHBondContact O-CE 3.37Š| ||
| 537 | G | 73 | Confident | 81.4 | Confident | 29 Ų | 29 | 64.3 Ų | 64.3 | 30% | 0.299 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -78 | 170.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S535 | S535-G537 PolarHBondContact O-N 3.29Å; S535-G537 VanDerWaalsContact O-N 3.17Å; S535-G537 PolarHBondContact OG-N 3.16Å |
| 538 | L | 80.5 | Confident | 81.7 | Confident | 31 Ų | 31 | 58.1 Ų | 58.1 | 16% | 0.162 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 136.7 | 177.7 | -68.4 | 170.5 | 0 | 0 | 0 | 111.6 | R540 P575 V576 S729 M730 | L538-R540 PolarHBondContact O-N 3.48Å; L538-P575 HydrophobicContact CB-CG 3.58Å; L538-P575 HydrophobicContact CD1-CG 4.42Å; L538-V576 HydrophobicContact CD1-CG2 4.38Å; L538-S729 VanDerWaalsContact CD2-CB 3.41Å; L538-M730 HydrophobicContact CD2-CE 3.76Å; L538-M730 HydrophobicContact CD2-CG 4.25Å; L538-M730 HydrophobicContact CD2-SD 3.92Å; L538-M730 HydrophobicContact CG-CE 3.93Å |
| 539 | R | 84.8 | Confident | 82.1 | Confident | 42 Ų | 42 | 56.7 Ų | 56.7 | 16% | 0.158 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 122.6 | -177.1 | -62 | -71.2 | 173.6 | -154 | -10.7 | 110.9 | L529 N531 I541 L733 | L529-R539 HydrophobicContact CD2-CB 3.92Å; L529-R539 HydrophobicContact CD2-CG 4.22Å; N531-R539 PolarHBondContact O-NE 3.49Å; N531-R539 PolarHBondContact O-NH1 3.34Å; N531-R539 PolarHBondContact O-NH2 3.1Å; R539-I541 PolarHBondContact O-N 3.01Å; R539-L733 HydrophobicContact CG-CD1 3.92Å; R539-L733 HydrophobicContact CG-CD2 3.99Å |
| 540 | R | 87.8 | Confident | 82.5 | Confident | 161 Ų | 161 | 56.7 Ų | 56.7 | 61% | 0.608 | 29% | 0.285 | S | S | * | . | trans | -73.5 | 107.8 | 171.8 | -65.3 | -178.5 | -176.4 | -177 | -0.6 | 110.1 | W522 L538 | W522-R540 HydrophobicContact CD2-CB 3.92Å; W522-R540 HydrophobicContact CE3-CB 4.14Å; W522-R540 HydrophobicContact CG-CB 4.43Å; W522-R540 HydrophobicContact CH2-CB 4.32Å; W522-R540 HydrophobicContact CH2-CG 4.13Å; W522-R540 HydrophobicContact CZ2-CB 4.14Å; W522-R540 HydrophobicContact CZ2-CG 3.88Å; W522-R540 HydrophobicContact CZ3-CB 4.33Å; L538-R540 PolarHBondContact O-N 3.48Å | ||
| 541 | I | 91.1 | Very high | 82.9 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | trans | -140.4 | 139.4 | 179.8 | -168.5 | 176.4 | 0 | 0 | 0 | 110.1 | P523 S525 L526 L529 R539 K543 L545 | P523-I541 VanDerWaalsContact O-CG1 3.29Å; P523-I541 WeakPolarHBondContact O-CG1 3.4Å; S525-I541 WeakPolarHBondContact O-CD1 3.22Å; L526-I541 HydrophobicContact CD2-CD1 4.23Å; L529-I541 HydrophobicContact CD2-CD1 4.14Å; L529-I541 HydrophobicContact CD2-CG2 4.28Å; L529-I541 HydrophobicContact CG-CD1 4.13Å; R539-I541 PolarHBondContact O-N 3.01Å; I541-K543 HydrophobicContact CD1-CB 4.22Å; I541-K543 HydrophobicContact CD1-CG 4.36Å; I541-K543 HydrophobicContact CG1-CB 4.13Å; I541-K543 HydrophobicContact CG1-CG 4.47Å; I541-K543 HydrophobicContact CG2-CB 4.27Å; I541-K543 PolarHBondContact O-N 3.37Å; I541-L545 HydrophobicContact CD1-CD1 4.5Å; I541-L545 HydrophobicContact CG2-CD1 3.97Å | ||
| 542 | R | 93.2 | Very high | 83.6 | Confident | 85 Ų | 85 | 48.1 Ų | 48.1 | 32% | 0.321 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -81.1 | 58.2 | 179.8 | -156.7 | 175.2 | 66.7 | 117.5 | -8 | 111.1 | L513 E514 Y519 W522 P523 | L513-R542 WeakPolarHBondContact O-CG 3.29Å; E514-R542 PolarHBondContact O-NH1 3.27Å; E514-R542 VanDerWaalsContact O-NH1 3.1Å; Y519-R542 WeakPolarHBondContact O-CD 3.41Å; W522-R542 HydrophobicContact CB-CB 3.91Å; W522-R542 WeakPolarHBondContact O-CB 3.33Å; P523-R542 PolarHBondContact O-N 3.25Å |
| 543 | K | 93 | Very high | 85.1 | Confident | 28 Ų | 28 | 41.3 Ų | 41.3 | 12% | 0.122 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -148.9 | 137.3 | -174.6 | -93.6 | -87.4 | 171.5 | -173.3 | 0 | 110.3 | E514 L526 I541 L545 N747 Q749 | E514-K543 WeakPolarHBondContact OE1-CD 3.34Å; E514-K543 IonicContact OE1-NZ 2.63Å; L526-K543 HydrophobicContact CD2-CG 4.47Å; I541-K543 HydrophobicContact CD1-CB 4.22Å; I541-K543 HydrophobicContact CD1-CG 4.36Å; I541-K543 HydrophobicContact CG1-CB 4.13Å; I541-K543 HydrophobicContact CG1-CG 4.47Å; I541-K543 HydrophobicContact CG2-CB 4.27Å; I541-K543 PolarHBondContact O-N 3.37Å; K543-L545 VanDerWaalsContact C-N 3.3Å; K543-L545 HydrophobicContact CB-CD1 4.49Å; K543-L545 HydrophobicContact CB-CD2 4.43Å; K543-L545 HydrophobicContact CB-CG 4.05Å; K543-L545 PolarHBondContact O-N 2.82Å; K543-N747 VanDerWaalsContact CE-O 3.25Å; K543-N747 WeakPolarHBondContact CE-O 3.21Å; K543-N747 PolarHBondContact NZ-O 2.98Å; K543-Q749 PolarHBondContact NZ-O 2.91Å |
| 544 | N | 93.3 | Very high | 86.5 | Confident | 19 Ų | 19 | 37.7 Ų | 37.7 | 10% | 0.102 | 20% | 0.196 | C | C | . | . | trans | -82.2 | 68 | 179.5 | -66.6 | -44.5 | 0 | 0 | 0 | 112.3 | N512 L513 E514 N547 | N512-N544 PolarHBondContact OD1-ND2 2.93Å; L513-N544 WeakPolarHBondContact CB-OD1 3.41Å; L513-N544 PolarHBondContact N-OD1 3.4Å; L513-N544 VanDerWaalsContact N-OD1 3.1Å; E514-N544 PolarHBondContact OE1-N 3.09Å; N544-N547 PolarHBondContact O-ND2 3.17Å | ||
| 545 | L | 92.4 | Very high | 88 | Confident | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | trans | -84.3 | -35.5 | -178 | -61.5 | 177.6 | 0 | 0 | 0 | 113.4 | L526 L529 I541 K543 N706 V736 | L526-L545 HydrophobicContact CD2-CD1 4.16Å; L526-L545 HydrophobicContact CD2-CD2 3.99Å; L529-L545 HydrophobicContact CD1-CD1 3.98Å; L529-L545 HydrophobicContact CD2-CD1 4.05Å; I541-L545 HydrophobicContact CD1-CD1 4.5Å; I541-L545 HydrophobicContact CG2-CD1 3.97Å; K543-L545 VanDerWaalsContact C-N 3.3Å; K543-L545 HydrophobicContact CB-CD1 4.49Å; K543-L545 HydrophobicContact CB-CD2 4.43Å; K543-L545 HydrophobicContact CB-CG 4.05Å; K543-L545 PolarHBondContact O-N 2.82Å; L545-N706 PolarHBondContact O-ND2 3.22Å; L545-N706 PolarHBondContact O-OD1 3.36Å; L545-V736 HydrophobicContact CD1-CG1 4.43Å | ||
| 546 | Y | 93.5 | Very high | 89.3 | Confident | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | trans | -113.5 | 102.6 | -177.3 | -42.9 | -63.3 | 0 | 0 | 0 | 108.9 | P575 R577 F705 S729 E732 L733 | Y546-P575 VanDerWaalsContact CD2-O 3.31Å; Y546-P575 WeakPolarHBondContact CD2-O 3.31Å; Y546-R577 PolarHBondContact O-N 3.27Å; Y546-F705 HydrophobicContact CD1-CZ 4.1Å; Y546-S729 WeakPolarHBondContact CE1-O 3.47Å; Y546-E732 HydrophobicContact CD1-CB 3.99Å; Y546-E732 HydrophobicContact CD1-CG 3.85Å; Y546-E732 HydrophobicContact CE1-CB 3.85Å; Y546-E732 HydrophobicContact CE1-CG 3.85Å; Y546-L733 WeakPolarHBondContact OH-CB 3.37Å; Y546-L733 WeakPolarHBondContact OH-CD1 3.49Å | ||
| 547 | N | 94.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.4 | 179.1 | -55.2 | -78.8 | 0 | 0 | 0 | 109.3 | N544 R577 F705 N706 | N544-N547 PolarHBondContact O-ND2 3.17Å; N547-R577 WeakPolarHBondContact CA-O 3.5Å; N547-R577 VanDerWaalsContact OD1-CD 3.31Å; N547-R577 WeakPolarHBondContact OD1-CD 3.34Å; N547-F705 CarbonylContact O-C 3.51Å; N547-F705 WeakPolarHBondContact O-CA 3.01Å; N547-N706 WeakPolarHBondContact CB-OD1 3.4Å; N547-N706 PolarHBondContact N-OD1 3.2Å; N547-N706 PolarHBondContact ND2-OD1 3.5Å; N547-N706 PolarHBondContact O-N 3.15Å |
| 548 | V | 95.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 111.4 | 176.1 | 177.4 | 0 | 0 | 0 | 0 | 108.3 | L550 V576 R577 F578 G579 I703 F705 V725 | V548-L550 HydrophobicContact CG1-CD2 3.93Å; V548-V576 HydrophobicContact CB-CG1 4.1Å; V548-V576 HydrophobicContact CG2-CG1 3.5Å; V548-R577 PolarHBondContact N-O 3.45Å; V548-F578 HydrophobicContact CB-CD1 3.84Å; V548-F578 HydrophobicContact CB-CE1 3.88Å; V548-F578 HydrophobicContact CG1-CD1 3.87Å; V548-F578 HydrophobicContact CG1-CE1 3.79Å; V548-F578 HydrophobicContact CG2-CE1 4.36Å; V548-F578 CarbonylContact O-C 3.6Å; V548-F578 WeakPolarHBondContact O-CA 3.17Å; V548-G579 PolarHBondContact O-N 3.37Å; V548-I703 HydrophobicContact CG1-CG2 4.1Å; V548-F705 HydrophobicContact CG2-CD2 3.77Å; V548-F705 HydrophobicContact CG2-CE2 4.01Å; V548-V725 HydrophobicContact CG1-CG2 4.38Å; V548-V725 HydrophobicContact CG2-CG1 4.27Å; V548-V725 HydrophobicContact CG2-CG2 4.29Å |
| 549 | I | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.3 | 178 | -60.4 | 141.9 | 0 | 0 | 0 | 108.6 | L502 I507 G579 I581 L704 | L502-I549 HydrophobicContact CD1-CD1 3.32Å; L502-I549 HydrophobicContact CD2-CD1 4.13Å; L502-I549 HydrophobicContact CG-CD1 4.27Å; I507-I549 HydrophobicContact CD1-CD1 3.57Å; I507-I549 HydrophobicContact CD1-CG1 4.01Å; I507-I549 HydrophobicContact CG1-CD1 4.48Å; I507-I549 HydrophobicContact CG1-CG2 4.4Å; I507-I549 HydrophobicContact CG2-CG1 4.23Å; I507-I549 HydrophobicContact CG2-CG2 4.43Å; I549-G579 CarbonylContact C-O 3.57Å; I549-G579 VanDerWaalsContact CA-O 3.31Å; I549-G579 WeakPolarHBondContact CA-O 3.49Å; I549-I581 HydrophobicContact CG2-CD1 3.91Å; I549-I581 HydrophobicContact CG2-CG1 3.96Å; I549-L704 HydrophobicContact CB-CB 3.84Å; I549-L704 HydrophobicContact CB-CD1 4.35Å; I549-L704 HydrophobicContact CD1-CB 4.43Å; I549-L704 HydrophobicContact CG2-CB 4.45Å; I549-L704 HydrophobicContact CG2-CD1 4.1Å; I549-L704 PolarHBondContact N-O 3.01Å; I549-L704 PolarHBondContact O-N 3.29Å |
| 550 | L | 95.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 121.6 | -177.9 | -54.2 | 178.5 | 0 | 0 | 0 | 109.3 | V548 I552 M562 T566 G579 I580 I581 I703 F721 | V548-L550 HydrophobicContact CG1-CD2 3.93Å; L550-I552 HydrophobicContact CB-CD1 4.19Å; L550-I552 HydrophobicContact CB-CG1 4.32Å; L550-I552 HydrophobicContact CB-CG2 4.19Å; L550-M562 HydrophobicContact CD2-CE 3.77Å; L550-T566 HydrophobicContact CD1-CG2 4.35Å; L550-T566 WeakPolarHBondContact CD1-OG1 3.45Å; L550-G579 PolarHBondContact N-O 2.85Å; L550-I580 HydrophobicContact CB-CG1 4.44Å; L550-I580 WeakPolarHBondContact O-CA 3.25Å; L550-I581 PolarHBondContact O-N 3.02Å; L550-I703 HydrophobicContact CD2-CG1 4.26Å; L550-F721 HydrophobicContact CD2-CE2 3.65Å; L550-F721 HydrophobicContact CD2-CZ 3.89Å |
| 551 | I | 95.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 106.4 | 168.9 | -60 | 161.1 | 0 | 0 | 0 | 107.6 | I581 A583 L689 L694 L702 L704 | I551-I581 WeakPolarHBondContact CA-O 3.44Å; I551-I581 HydrophobicContact CG1-CB 4.13Å; I551-A583 HydrophobicContact CG2-CB 3.84Å; I551-L689 HydrophobicContact CD1-CD2 4.29Å; I551-L689 HydrophobicContact CG1-CD2 4.49Å; I551-L689 HydrophobicContact CG2-CD2 3.84Å; I551-L694 HydrophobicContact CD1-CD1 3.59Å; I551-L694 HydrophobicContact CD1-CD2 4.42Å; I551-L694 HydrophobicContact CD1-CG 4.45Å; I551-L702 HydrophobicContact CB-CB 4.09Å; I551-L702 HydrophobicContact CD1-CB 4.22Å; I551-L702 HydrophobicContact CD1-CD1 4.29Å; I551-L702 HydrophobicContact CG2-CD1 4.42Å; I551-L702 PolarHBondContact N-O 3.2Å; I551-L702 PolarHBondContact O-N 3.5Å; I551-L704 HydrophobicContact CD1-CD1 3.47Å; I551-L704 VanDerWaalsContact CD1-CD1 3.47Å; I551-L704 HydrophobicContact CD1-CG 4.08Å; I551-L704 HydrophobicContact CG1-CD1 4.12Å |
| 552 | I | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 151.5 | -165 | 53.6 | 173.2 | 0 | 0 | 0 | 111.9 | L550 M562 L563 I580 I581 W582 A583 P701 | L550-I552 HydrophobicContact CB-CD1 4.19Å; L550-I552 HydrophobicContact CB-CG1 4.32Å; L550-I552 HydrophobicContact CB-CG2 4.19Å; I552-M562 HydrophobicContact CG2-SD 4.47Å; I552-L563 HydrophobicContact CD1-CD1 3.86Å; I552-L563 HydrophobicContact CD1-CD2 3.56Å; I552-L563 HydrophobicContact CD1-CG 3.64Å; I552-I580 HydrophobicContact CD1-CG2 4.47Å; I552-I580 HydrophobicContact CG1-CG2 4.34Å; I552-I581 PolarHBondContact N-O 3.32Å; I552-W582 HydrophobicContact CD1-CZ3 4.17Å; I552-W582 HydrophobicContact CG1-CE3 4.31Å; I552-W582 HydrophobicContact CG1-CZ3 4.16Å; I552-A583 PolarHBondContact O-N 2.66Å; I552-P701 HydrophobicContact CG2-CB 3.82Å |
| 553 | D | 92 | Very high | 91.2 | Very high | 43 Ų | 43 | 24.9 Ų | 24.9 | 23% | 0.23 | 12% | 0.12 | C | C | . | . | trans | -98.2 | 122.1 | 164.2 | -179.1 | -25.3 | 0 | 0 | 0 | 107.6 | V555 S556 S559 S592 | D553-V555 PolarHBondContact O-N 3.16Å; D553-V555 PolarHBondContact OD1-N 3.5Å; D553-S556 PolarHBondContact O-N 3.11Å; D553-S556 VanDerWaalsContact O-N 3.07Å; D553-S559 WeakPolarHBondContact O-CB 3.45Å; D553-S559 PolarHBondContact O-OG 2.93Å; D553-S592 WeakPolarHBondContact OD1-CB 3.27Å; D553-S592 PolarHBondContact OD1-OG 2.9Å; D553-S592 PolarHBondContact OD2-OG 3.3Å | ||
| 554 | P | 91.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -21.5 | -177.4 | 24.5 | -33.8 | 0 | 0 | 0 | 113.6 | W582 L595 Y637 | P554-W582 HydrophobicContact CB-CH2 4.46Å; P554-W582 HydrophobicContact CB-CZ3 3.83Å; P554-W582 HydrophobicContact CG-CE3 4.28Å; P554-W582 HydrophobicContact CG-CZ3 4.06Å; P554-L595 HydrophobicContact CB-CB 4.29Å; P554-L595 HydrophobicContact CB-CD1 4.05Å; P554-L595 HydrophobicContact CG-CB 4.07Å; P554-L595 HydrophobicContact CG-CD1 4.32Å; P554-Y637 WeakPolarHBondContact CB-OH 3.21Å; P554-Y637 PolarHBondContact O-OH 2.93Å |
| 555 | V | 88.4 | Confident | 91 | Very high | 37 Ų | 37 | 27.4 Ų | 27.4 | 22% | 0.224 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -22.9 | -179.5 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | D553 R560 T591 S592 L595 | D553-V555 PolarHBondContact O-N 3.16Å; D553-V555 PolarHBondContact OD1-N 3.5Å; V555-R560 VanDerWaalsContact O-CZ 3.24Å; V555-R560 PolarHBondContact O-NE 2.89Å; V555-R560 VanDerWaalsContact O-NE 3.08Å; V555-R560 PolarHBondContact O-NH2 3.38Å; V555-T591 HydrophobicContact CG2-CG2 4.33Å; V555-S592 VanDerWaalsContact CG2-OG 3.26Å; V555-S592 WeakPolarHBondContact CG2-OG 3.46Å; V555-L595 HydrophobicContact CG2-CD1 3.96Å |
| 556 | S | 86.8 | Confident | 91 | Very high | 25 Ų | 25 | 27.1 Ų | 27.1 | 18% | 0.175 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -61.4 | 140.3 | -179.6 | 134.7 | 0 | 0 | 0 | 0 | 111.7 | D553 E558 S559 R560 | D553-S556 PolarHBondContact O-N 3.11Å; D553-S556 VanDerWaalsContact O-N 3.07Å; S556-E558 PolarHBondContact OG-N 3.42Å; S556-E558 PolarHBondContact OG-OE2 3.31Å; S556-S559 WeakPolarHBondContact CB-OG 3.33Å; S556-S559 WeakPolarHBondContact O-CB 3.31Å; S556-S559 PolarHBondContact O-N 3.42Å; S556-S559 WeakPolarHBondContact OG-CB 3.36Å; S556-S559 PolarHBondContact OG-N 2.85Å; S556-S559 VanDerWaalsContact OG-N 3.14Å; S556-S559 PolarHBondContact OG-OG 3.32Å; S556-R560 WeakPolarHBondContact O-CG 3.32Å; S556-R560 PolarHBondContact O-N 2.9Å; S556-R560 VanDerWaalsContact O-N 3.16Å |
| 557 | F | 83.1 | Confident | 90.8 | Very high | 132 Ų | 132 | 28.7 Ų | 28.7 | 58% | 0.579 | 14% | 0.137 | S | C | * | . | H | α-helix | trans | -62.1 | -48 | 179.8 | 179.1 | -97.1 | 0 | 0 | 0 | 112 | S559 R560 E561 | F557-S559 PolarHBondContact O-N 2.92Å; F557-R560 PolarHBondContact O-N 2.96Å; F557-R560 VanDerWaalsContact O-N 3.16Å; F557-E561 PolarHBondContact O-N 3.21Å |
| 558 | E | 83 | Confident | 90.6 | Very high | 78 Ų | 78 | 31 Ų | 31 | 36% | 0.364 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -60.9 | -36.2 | 178 | -58.5 | 90.8 | 166.3 | 0 | 0 | 111.8 | S556 R560 E561 M562 P701 | S556-E558 PolarHBondContact OG-N 3.42Å; S556-E558 PolarHBondContact OG-OE2 3.31Å; E558-R560 VanDerWaalsContact C-N 3.34Å; E558-R560 PolarHBondContact O-N 3.07Å; E558-E561 PolarHBondContact O-N 3.14Å; E558-M562 WeakPolarHBondContact O-CG 3.47Å; E558-M562 PolarHBondContact O-N 2.94Å; E558-M562 VanDerWaalsContact O-N 3.15Å; E558-P701 HydrophobicContact CB-CG 3.92Å |
| 559 | S | 89.6 | Confident | 90.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.5 | -34.8 | 178.9 | -57.1 | 0 | 0 | 0 | 0 | 112.5 | D553 S556 F557 M562 L563 | D553-S559 WeakPolarHBondContact O-CB 3.45Å; D553-S559 PolarHBondContact O-OG 2.93Å; S556-S559 WeakPolarHBondContact CB-OG 3.33Å; S556-S559 WeakPolarHBondContact O-CB 3.31Å; S556-S559 PolarHBondContact O-N 3.42Å; S556-S559 WeakPolarHBondContact OG-CB 3.36Å; S556-S559 PolarHBondContact OG-N 2.85Å; S556-S559 VanDerWaalsContact OG-N 3.14Å; S556-S559 PolarHBondContact OG-OG 3.32Å; F557-S559 PolarHBondContact O-N 2.92Å; S559-M562 PolarHBondContact O-N 3.48Å; S559-L563 WeakPolarHBondContact O-CB 3.49Å; S559-L563 WeakPolarHBondContact O-CG 3.48Å; S559-L563 PolarHBondContact O-N 3.38Å |
| 560 | R | 88.6 | Confident | 90.1 | Very high | 47 Ų | 47 | 32 Ų | 32 | 18% | 0.177 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.6 | -44 | 177.8 | -66 | 171.3 | -159.9 | 177.6 | 5.4 | 111.9 | V555 S556 F557 E558 L563 K564 Y637 | V555-R560 VanDerWaalsContact O-CZ 3.24Å; V555-R560 PolarHBondContact O-NE 2.89Å; V555-R560 VanDerWaalsContact O-NE 3.08Å; V555-R560 PolarHBondContact O-NH2 3.38Å; S556-R560 WeakPolarHBondContact O-CG 3.32Å; S556-R560 PolarHBondContact O-N 2.9Å; S556-R560 VanDerWaalsContact O-N 3.16Å; F557-R560 PolarHBondContact O-N 2.96Å; F557-R560 VanDerWaalsContact O-N 3.16Å; E558-R560 VanDerWaalsContact C-N 3.34Å; E558-R560 PolarHBondContact O-N 3.07Å; R560-L563 PolarHBondContact O-N 3.34Å; R560-K564 PolarHBondContact O-N 3.43Å; R560-Y637 HydrophobicContact CB-CD2 3.88Å; R560-Y637 HydrophobicContact CB-CE2 4.07Å; R560-Y637 HydrophobicContact CB-CG 4.25Å; R560-Y637 HydrophobicContact CG-CD1 3.97Å; R560-Y637 HydrophobicContact CG-CD2 3.86Å; R560-Y637 HydrophobicContact CG-CE1 3.9Å; R560-Y637 HydrophobicContact CG-CE2 3.8Å; R560-Y637 HydrophobicContact CG-CG 3.96Å |
| 561 | E | 84.9 | Confident | 89.7 | Confident | 94 Ų | 94 | 35 Ų | 35 | 44% | 0.439 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.5 | -47.6 | 174.3 | -88.8 | -81.4 | 121.6 | 0 | 0 | 111 | F557 E558 L563 K564 L565 | F557-E561 PolarHBondContact O-N 3.21Å; E558-E561 PolarHBondContact O-N 3.14Å; E561-L563 VanDerWaalsContact C-N 3.34Å; E561-L563 PolarHBondContact O-N 3.41Å; E561-K564 PolarHBondContact O-N 3.07Å; E561-L565 PolarHBondContact O-N 3.26Å |
| 562 | M | 91.9 | Very high | 89.3 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.6 | -41.1 | 177.8 | -68.2 | 175.2 | 78.1 | 0 | 0 | 112.7 | L550 I552 E558 S559 L565 T566 P701 I703 F721 | L550-M562 HydrophobicContact CD2-CE 3.77Å; I552-M562 HydrophobicContact CG2-SD 4.47Å; E558-M562 WeakPolarHBondContact O-CG 3.47Å; E558-M562 PolarHBondContact O-N 2.94Å; E558-M562 VanDerWaalsContact O-N 3.15Å; S559-M562 PolarHBondContact O-N 3.48Å; M562-L565 PolarHBondContact O-N 3.23Å; M562-T566 WeakPolarHBondContact O-CB 3.21Å; M562-T566 PolarHBondContact O-N 3.37Å; M562-T566 PolarHBondContact O-OG1 2.78Å; M562-P701 HydrophobicContact SD-CB 3.69Å; M562-P701 HydrophobicContact SD-CG 3.73Å; M562-I703 HydrophobicContact CE-CD1 3.71Å; M562-I703 HydrophobicContact CE-CG1 3.51Å; M562-F721 HydrophobicContact CB-CD1 4.42Å; M562-F721 HydrophobicContact CB-CG 4.44Å; M562-F721 HydrophobicContact CE-CD2 3.43Å; M562-F721 VanDerWaalsContact CE-CD2 3.43Å; M562-F721 HydrophobicContact CE-CE2 3.55Å; M562-F721 HydrophobicContact CE-CG 4.26Å; M562-F721 HydrophobicContact CE-CZ 4.45Å; M562-F721 HydrophobicContact CG-CB 4.18Å; M562-F721 HydrophobicContact CG-CD1 4.39Å; M562-F721 HydrophobicContact CG-CD2 4.09Å; M562-F721 HydrophobicContact CG-CG 3.97Å |
| 563 | L | 93 | Very high | 89.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 177.8 | -76.7 | 169.7 | 0 | 0 | 0 | 112.3 | I552 S559 R560 E561 T566 E567 I580 L630 L633 Y637 | I552-L563 HydrophobicContact CD1-CD1 3.86Å; I552-L563 HydrophobicContact CD1-CD2 3.56Å; I552-L563 HydrophobicContact CD1-CG 3.64Å; S559-L563 WeakPolarHBondContact O-CB 3.49Å; S559-L563 WeakPolarHBondContact O-CG 3.48Å; S559-L563 PolarHBondContact O-N 3.38Å; R560-L563 PolarHBondContact O-N 3.34Å; E561-L563 VanDerWaalsContact C-N 3.34Å; E561-L563 PolarHBondContact O-N 3.41Å; L563-T566 PolarHBondContact O-N 3.17Å; L563-E567 PolarHBondContact O-N 3.15Å; L563-I580 HydrophobicContact CD2-CD1 3.8Å; L563-L630 HydrophobicContact CB-CD1 4.17Å; L563-L630 HydrophobicContact CD2-CD1 3.6Å; L563-L630 HydrophobicContact CG-CD1 4.45Å; L563-L633 HydrophobicContact CD1-CD1 4.49Å; L563-Y637 HydrophobicContact CB-CE2 4.43Å; L563-Y637 HydrophobicContact CD1-CE2 3.86Å |
| 564 | K | 89.5 | Confident | 88.9 | Confident | 52 Ų | 52 | 43 Ų | 43 | 23% | 0.226 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -46 | 174.2 | -76.4 | 174.1 | 173.7 | 174.9 | 0 | 111.7 | R560 E561 T566 E567 S568 T634 E641 | R560-K564 PolarHBondContact O-N 3.43Å; E561-K564 PolarHBondContact O-N 3.07Å; K564-T566 VanDerWaalsContact C-N 3.32Å; K564-T566 PolarHBondContact O-N 3.15Å; K564-E567 PolarHBondContact O-N 2.95Å; K564-S568 PolarHBondContact O-N 3.36Å; K564-S568 VanDerWaalsContact O-N 3.17Å; K564-T634 HydrophobicContact CG-CG2 3.96Å; K564-E641 IonicContact NZ-OE1 3.24Å; K564-E641 PolarHBondContact NZ-OE1 3.23Å; K564-E641 IonicContact NZ-OE2 2.75Å; K564-E641 PolarHBondContact NZ-OE2 3.16Å |
| 565 | L | 91.1 | Very high | 88.9 | Confident | 47 Ų | 47 | 43.4 Ų | 43.4 | 25% | 0.246 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.7 | -36.1 | 177.3 | -73.5 | 169.2 | 0 | 0 | 0 | 112 | E561 M562 E567 S568 F569 F721 | E561-L565 PolarHBondContact O-N 3.26Å; M562-L565 PolarHBondContact O-N 3.23Å; L565-E567 PolarHBondContact O-N 3.29Å; L565-S568 WeakPolarHBondContact O-CB 3.48Å; L565-S568 PolarHBondContact O-N 3.46Å; L565-F569 WeakPolarHBondContact O-CD2 3.46Å; L565-F569 PolarHBondContact O-N 3.23Å; L565-F721 HydrophobicContact CB-CD1 3.7Å; L565-F721 HydrophobicContact CB-CE1 3.93Å; L565-F721 HydrophobicContact CD1-CB 4.27Å; L565-F721 HydrophobicContact CD1-CD1 3.84Å; L565-F721 HydrophobicContact CG-CD1 4.44Å |
| 566 | T | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 175.1 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | M510 L550 M562 L563 K564 S568 F569 L570 F578 | M510-T566 HydrophobicContact SD-CG2 3.91Å; L550-T566 HydrophobicContact CD1-CG2 4.35Å; L550-T566 WeakPolarHBondContact CD1-OG1 3.45Å; M562-T566 WeakPolarHBondContact O-CB 3.21Å; M562-T566 PolarHBondContact O-N 3.37Å; M562-T566 PolarHBondContact O-OG1 2.78Å; L563-T566 PolarHBondContact O-N 3.17Å; K564-T566 VanDerWaalsContact C-N 3.32Å; K564-T566 PolarHBondContact O-N 3.15Å; T566-S568 VanDerWaalsContact C-N 3.31Å; T566-S568 PolarHBondContact O-N 3.06Å; T566-F569 PolarHBondContact O-N 3.43Å; T566-L570 HydrophobicContact CG2-CD1 4.08Å; T566-L570 WeakPolarHBondContact O-CG 3.46Å; T566-L570 PolarHBondContact O-N 3.2Å; T566-L570 VanDerWaalsContact O-N 3.08Å; T566-F578 HydrophobicContact CG2-CB 3.92Å; T566-F578 HydrophobicContact CG2-CD1 3.65Å; T566-F578 HydrophobicContact CG2-CD2 4.27Å; T566-F578 HydrophobicContact CG2-CE1 4.2Å; T566-F578 HydrophobicContact CG2-CG 3.67Å |
| 567 | E | 89.7 | Confident | 89.6 | Confident | 33 Ų | 33 | 42.4 Ų | 42.4 | 15% | 0.154 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | 173.6 | -171.5 | 172 | -149.4 | 0 | 0 | 111.3 | L563 K564 L565 L570 L571 M627 L630 S631 T634 | L563-E567 PolarHBondContact O-N 3.15Å; K564-E567 PolarHBondContact O-N 2.95Å; L565-E567 PolarHBondContact O-N 3.29Å; E567-L570 PolarHBondContact O-N 3.32Å; E567-L571 HydrophobicContact CG-CD1 4.04Å; E567-L571 WeakPolarHBondContact O-CB 3.34Å; E567-L571 WeakPolarHBondContact O-CG 3.23Å; E567-L571 PolarHBondContact O-N 3.34Å; E567-M627 HydrophobicContact CG-CE 3.93Å; E567-L630 HydrophobicContact CB-CD2 3.65Å; E567-L630 HydrophobicContact CB-CG 4.32Å; E567-L630 HydrophobicContact CG-CD2 4.12Å; E567-S631 WeakPolarHBondContact OE1-CA 3.15Å; E567-S631 WeakPolarHBondContact OE1-CB 3.26Å; E567-S631 PolarHBondContact OE1-OG 3.1Å; E567-T634 VanDerWaalsContact OE2-CB 3.24Å; E567-T634 WeakPolarHBondContact OE2-CB 3.2Å; E567-T634 VanDerWaalsContact OE2-CG2 3.28Å; E567-T634 WeakPolarHBondContact OE2-CG2 3.48Å; E567-T634 PolarHBondContact OE2-OG1 3.03Å |
| 568 | S | 89.4 | Confident | 90.2 | Very high | 51 Ų | 51 | 36.1 Ų | 36.1 | 36% | 0.357 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.4 | -48.7 | 176.1 | -174 | 0 | 0 | 0 | 0 | 112.5 | K564 L565 T566 L570 L571 H572 | K564-S568 PolarHBondContact O-N 3.36Å; K564-S568 VanDerWaalsContact O-N 3.17Å; L565-S568 WeakPolarHBondContact O-CB 3.48Å; L565-S568 PolarHBondContact O-N 3.46Å; T566-S568 VanDerWaalsContact C-N 3.31Å; T566-S568 PolarHBondContact O-N 3.06Å; S568-L570 VanDerWaalsContact C-N 3.31Å; S568-L570 PolarHBondContact O-N 2.8Å; S568-L571 PolarHBondContact O-N 3.04Å; S568-H572 PolarHBondContact O-CD2 3.13Å; S568-H572 VanDerWaalsContact O-CD2 3.23Å; S568-H572 PolarHBondContact O-N 2.93Å |
| 569 | F | 91.2 | Very high | 90.8 | Very high | 19 Ų | 19 | 32.4 Ų | 32.4 | 8% | 0.083 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.7 | -43.1 | 177.2 | -82.6 | -59.6 | 0 | 0 | 0 | 112.8 | L565 T566 H572 M573 T574 F578 F721 E722 V725 | L565-F569 WeakPolarHBondContact O-CD2 3.46Å; L565-F569 PolarHBondContact O-N 3.23Å; T566-F569 PolarHBondContact O-N 3.43Å; F569-H572 PolarHBondContact O-N 3.3Å; F569-M573 PolarHBondContact O-N 2.99Å; F569-T574 WeakPolarHBondContact CB-OG1 3.43Å; F569-T574 HydrophobicContact CD1-CG2 3.75Å; F569-T574 WeakPolarHBondContact CD1-OG1 3.22Å; F569-T574 HydrophobicContact CE1-CG2 4.33Å; F569-T574 PolarHBondContact O-N 3.32Å; F569-T574 PolarHBondContact O-OG1 2.91Å; F569-F578 HydrophobicContact CB-CE2 3.63Å; F569-F578 HydrophobicContact CB-CZ 3.82Å; F569-F578 HydrophobicContact CD2-CE2 4.46Å; F569-F578 AromaticContact CD2-CZ 3.76Å; F569-F578 HydrophobicContact CD2-CZ 3.76Å; F569-F578 HydrophobicContact CE2-CZ 4.48Å; F569-F578 HydrophobicContact CG-CE2 4.19Å; F569-F578 AromaticContact CG-CZ 3.9Å; F569-F578 HydrophobicContact CG-CZ 3.9Å; F569-F721 HydrophobicContact CD2-CE1 4.37Å; F569-F721 HydrophobicContact CE2-CD1 4.48Å; F569-F721 HydrophobicContact CE2-CE1 4.15Å; F569-E722 HydrophobicContact CE1-CG 4.31Å; F569-E722 HydrophobicContact CE2-CG 4.12Å; F569-E722 HydrophobicContact CZ-CB 4.36Å; F569-E722 HydrophobicContact CZ-CG 3.5Å; F569-V725 HydrophobicContact CZ-CB 4.33Å; F569-V725 HydrophobicContact CZ-CG1 4.35Å |
| 570 | L | 89.8 | Confident | 91 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.9 | -47.8 | 178.2 | -71.9 | 166.8 | 0 | 0 | 0 | 111.1 | M510 N511 T566 E567 S568 H572 M573 F578 M627 L630 | M510-L570 HydrophobicContact CB-CD1 3.8Å; M510-L570 HydrophobicContact CG-CD1 4.49Å; M510-L570 HydrophobicContact SD-CD1 3.97Å; N511-L570 HydrophobicContact CB-CD2 3.73Å; N511-L570 WeakPolarHBondContact ND2-CD2 3.29Å; T566-L570 HydrophobicContact CG2-CD1 4.08Å; T566-L570 WeakPolarHBondContact O-CG 3.46Å; T566-L570 PolarHBondContact O-N 3.2Å; T566-L570 VanDerWaalsContact O-N 3.08Å; E567-L570 PolarHBondContact O-N 3.32Å; S568-L570 VanDerWaalsContact C-N 3.31Å; S568-L570 PolarHBondContact O-N 2.8Å; L570-H572 VanDerWaalsContact C-N 3.26Å; L570-H572 PolarHBondContact O-N 3.14Å; L570-M573 PolarHBondContact O-N 3.1Å; L570-F578 HydrophobicContact CD2-CD2 4.06Å; L570-F578 HydrophobicContact CG-CD2 4.18Å; L570-M627 HydrophobicContact CB-CE 3.78Å; L570-M627 HydrophobicContact CB-SD 4.36Å; L570-M627 HydrophobicContact CD1-CE 3.8Å; L570-M627 HydrophobicContact CD1-SD 3.56Å; L570-M627 VanDerWaalsContact CD1-SD 3.56Å; L570-M627 HydrophobicContact CG-CE 4.44Å; L570-L630 HydrophobicContact CD1-CD2 4.27Å |
| 571 | L | 86.8 | Confident | 91.4 | Very high | 64 Ų | 64 | 30.2 Ų | 30.2 | 34% | 0.335 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59.2 | -35.5 | 177.3 | -74.8 | 168.7 | 0 | 0 | 0 | 112.7 | E567 S568 M573 | E567-L571 HydrophobicContact CG-CD1 4.04Å; E567-L571 WeakPolarHBondContact O-CB 3.34Å; E567-L571 WeakPolarHBondContact O-CG 3.23Å; E567-L571 PolarHBondContact O-N 3.34Å; S568-L571 PolarHBondContact O-N 3.04Å; L571-M573 VanDerWaalsContact C-N 3.28Å; L571-M573 PolarHBondContact O-N 3.25Å |
| 572 | H | 88.4 | Confident | 91.8 | Very high | 139 Ų | 139 | 25.8 Ų | 25.8 | 64% | 0.644 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 2.2 | 177.3 | -76.1 | -61.4 | 0 | 0 | 0 | 114.7 | S568 F569 L570 T574 | S568-H572 PolarHBondContact O-CD2 3.13Å; S568-H572 VanDerWaalsContact O-CD2 3.23Å; S568-H572 PolarHBondContact O-N 2.93Å; F569-H572 PolarHBondContact O-N 3.3Å; L570-H572 VanDerWaalsContact C-N 3.26Å; L570-H572 PolarHBondContact O-N 3.14Å; H572-T574 VanDerWaalsContact C-N 3.29Å; H572-T574 PolarHBondContact O-N 2.84Å |
| 573 | M | 88.9 | Confident | 91.9 | Very high | 39 Ų | 39 | 26.1 Ų | 26.1 | 19% | 0.192 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 43.4 | -177.4 | -56.6 | -163.9 | -58.6 | 0 | 0 | 113.1 | Y519 Y521 W522 F569 L570 L571 L621 | Y519-M573 HydrophobicContact CE1-CB 4.29Å; Y521-M573 VanDerWaalsContact OH-CE 3.24Å; Y521-M573 WeakPolarHBondContact OH-CE 3.43Å; Y521-M573 PolarHBondContact OH-SD 3.19Å; W522-M573 VanDerWaalsContact CH2-O 3.25Å; W522-M573 WeakPolarHBondContact CH2-O 3.27Å; W522-M573 HydrophobicContact CZ2-CB 4.37Å; W522-M573 WeakPolarHBondContact CZ2-O 3.14Å; F569-M573 PolarHBondContact O-N 2.99Å; L570-M573 PolarHBondContact O-N 3.1Å; L571-M573 VanDerWaalsContact C-N 3.28Å; L571-M573 PolarHBondContact O-N 3.25Å; M573-L621 HydrophobicContact CG-CD1 3.64Å; M573-L621 HydrophobicContact SD-CD1 4.12Å |
| 574 | T | 89.2 | Confident | 91.8 | Very high | 33 Ų | 33 | 26.3 Ų | 26.3 | 20% | 0.202 | 14% | 0.135 | C | C | . | . | trans | -63.1 | 145.2 | 169.5 | 43 | 0 | 0 | 0 | 0 | 110.8 | F569 H572 V576 | F569-T574 WeakPolarHBondContact CB-OG1 3.43Å; F569-T574 HydrophobicContact CD1-CG2 3.75Å; F569-T574 WeakPolarHBondContact CD1-OG1 3.22Å; F569-T574 HydrophobicContact CE1-CG2 4.33Å; F569-T574 PolarHBondContact O-N 3.32Å; F569-T574 PolarHBondContact O-OG1 2.91Å; H572-T574 VanDerWaalsContact C-N 3.29Å; H572-T574 PolarHBondContact O-N 2.84Å; T574-V576 PolarHBondContact O-N 3.29Å | ||
| 575 | P | 91.7 | Very high | 91.7 | Very high | 8 Ų | 8 | 26.7 Ų | 26.7 | 5% | 0.052 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -75.6 | 39.6 | -175.5 | 33.2 | -37 | 0 | 0 | 0 | 112.9 | L513 W522 L538 Y546 | L513-P575 WeakPolarHBondContact CD1-O 3.31Å; W522-P575 HydrophobicContact CH2-CB 4Å; W522-P575 HydrophobicContact CZ3-CB 3.7Å; L538-P575 HydrophobicContact CB-CG 3.58Å; L538-P575 HydrophobicContact CD1-CG 4.42Å; Y546-P575 VanDerWaalsContact CD2-O 3.31Å; Y546-P575 WeakPolarHBondContact CD2-O 3.31Å |
| 576 | V | 94.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | trans | -117.3 | 137.9 | -177.8 | -179.5 | 0 | 0 | 0 | 0 | 109 | N511 L538 V548 T574 F578 V725 | N511-V576 PolarHBondContact ND2-O 3.13Å; L538-V576 HydrophobicContact CD1-CG2 4.38Å; V548-V576 HydrophobicContact CB-CG1 4.1Å; V548-V576 HydrophobicContact CG2-CG1 3.5Å; T574-V576 PolarHBondContact O-N 3.29Å; V576-F578 HydrophobicContact CB-CD2 4.47Å; V576-F578 HydrophobicContact CB-CE2 3.83Å; V576-F578 HydrophobicContact CB-CZ 4.22Å; V576-F578 HydrophobicContact CG1-CD2 4.2Å; V576-F578 HydrophobicContact CG1-CE1 4.3Å; V576-F578 HydrophobicContact CG1-CE2 3.72Å; V576-F578 HydrophobicContact CG1-CZ 3.78Å; V576-V725 HydrophobicContact CG1-CG1 4.31Å; V576-V725 HydrophobicContact CG2-CG1 4.19Å | ||
| 577 | R | 94.9 | Very high | 91.1 | Very high | 40 Ų | 40 | 32.9 Ų | 32.9 | 15% | 0.151 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 117.8 | 176.1 | -165.3 | -170.2 | -174.1 | -171.9 | -5.1 | 109.9 | Y509 N511 Y546 N547 V548 | Y509-R577 HydrophobicContact CD1-CG 3.95Å; Y509-R577 VanDerWaalsContact CD1-NE 3.28Å; Y509-R577 VanDerWaalsContact CD2-NH2 3.31Å; Y509-R577 HydrophobicContact CE1-CG 4.23Å; N511-R577 WeakPolarHBondContact O-CG 3.4Å; N511-R577 PolarHBondContact O-NE 3.4Å; N511-R577 VanDerWaalsContact O-NE 3.15Å; N511-R577 WeakPolarHBondContact OD1-CA 3.22Å; Y546-R577 PolarHBondContact O-N 3.27Å; N547-R577 WeakPolarHBondContact CA-O 3.5Å; N547-R577 VanDerWaalsContact OD1-CD 3.31Å; N547-R577 WeakPolarHBondContact OD1-CD 3.34Å; V548-R577 PolarHBondContact N-O 3.45Å |
| 578 | F | 95.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 138 | 179.5 | -70.2 | -85.5 | 0 | 0 | 0 | 111.7 | M510 N511 V548 T566 F569 L570 V576 F721 V725 | M510-F578 HydrophobicContact CG-CB 4.38Å; M510-F578 PolarHBondContact N-O 3.45Å; M510-F578 HydrophobicContact SD-CB 4.4Å; N511-F578 PolarHBondContact OD1-N 2.95Å; V548-F578 HydrophobicContact CB-CD1 3.84Å; V548-F578 HydrophobicContact CB-CE1 3.88Å; V548-F578 HydrophobicContact CG1-CD1 3.87Å; V548-F578 HydrophobicContact CG1-CE1 3.79Å; V548-F578 HydrophobicContact CG2-CE1 4.36Å; V548-F578 CarbonylContact O-C 3.6Å; V548-F578 WeakPolarHBondContact O-CA 3.17Å; T566-F578 HydrophobicContact CG2-CB 3.92Å; T566-F578 HydrophobicContact CG2-CD1 3.65Å; T566-F578 HydrophobicContact CG2-CD2 4.27Å; T566-F578 HydrophobicContact CG2-CE1 4.2Å; T566-F578 HydrophobicContact CG2-CG 3.67Å; F569-F578 HydrophobicContact CB-CE2 3.63Å; F569-F578 HydrophobicContact CB-CZ 3.82Å; F569-F578 HydrophobicContact CD2-CE2 4.46Å; F569-F578 AromaticContact CD2-CZ 3.76Å; F569-F578 HydrophobicContact CD2-CZ 3.76Å; F569-F578 HydrophobicContact CE2-CZ 4.48Å; F569-F578 HydrophobicContact CG-CE2 4.19Å; F569-F578 AromaticContact CG-CZ 3.9Å; F569-F578 HydrophobicContact CG-CZ 3.9Å; L570-F578 HydrophobicContact CD2-CD2 4.06Å; L570-F578 HydrophobicContact CG-CD2 4.18Å; V576-F578 HydrophobicContact CB-CD2 4.47Å; V576-F578 HydrophobicContact CB-CE2 3.83Å; V576-F578 HydrophobicContact CB-CZ 4.22Å; V576-F578 HydrophobicContact CG1-CD2 4.2Å; V576-F578 HydrophobicContact CG1-CE1 4.3Å; V576-F578 HydrophobicContact CG1-CE2 3.72Å; V576-F578 HydrophobicContact CG1-CZ 3.78Å; F578-F721 HydrophobicContact CE1-CZ 4.07Å; F578-V725 HydrophobicContact CZ-CG1 4.43Å |
| 579 | G | 95.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 157.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S508 V548 I549 L550 | S508-G579 WeakPolarHBondContact O-CA 3.41Å; V548-G579 PolarHBondContact O-N 3.37Å; I549-G579 CarbonylContact C-O 3.57Å; I549-G579 VanDerWaalsContact CA-O 3.31Å; I549-G579 WeakPolarHBondContact CA-O 3.49Å; L550-G579 PolarHBondContact N-O 2.85Å |
| 580 | I | 95.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 140.7 | -178.4 | -64.1 | 171.9 | 0 | 0 | 0 | 110.1 | S508 M510 L550 I552 L563 W582 | S508-I580 PolarHBondContact N-O 3.18Å; S508-I580 VanDerWaalsContact N-O 3.17Å; S508-I580 PolarHBondContact O-N 3.46Å; M510-I580 HydrophobicContact CE-CD1 3.84Å; M510-I580 HydrophobicContact SD-CD1 3.81Å; M510-I580 HydrophobicContact SD-CG1 4.28Å; L550-I580 HydrophobicContact CB-CG1 4.44Å; L550-I580 WeakPolarHBondContact O-CA 3.25Å; I552-I580 HydrophobicContact CD1-CG2 4.47Å; I552-I580 HydrophobicContact CG1-CG2 4.34Å; L563-I580 HydrophobicContact CD2-CD1 3.8Å; I580-W582 HydrophobicContact CD1-CH2 4.43Å; I580-W582 HydrophobicContact CD1-CZ2 4.44Å; I580-W582 HydrophobicContact CG2-CD2 3.71Å; I580-W582 HydrophobicContact CG2-CE3 3.92Å; I580-W582 HydrophobicContact CG2-CG 4.3Å; I580-W582 HydrophobicContact CG2-CH2 4.09Å; I580-W582 HydrophobicContact CG2-CZ2 3.87Å; I580-W582 HydrophobicContact CG2-CZ3 4.1Å |
| 581 | I | 95.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 121.1 | 163.6 | -63 | 178 | 0 | 0 | 0 | 107.2 | I507 I549 L550 I551 I552 A583 H685 F688 L689 | I507-I581 HydrophobicContact CG1-CD1 4.03Å; I507-I581 HydrophobicContact CG1-CG1 4.24Å; I549-I581 HydrophobicContact CG2-CD1 3.91Å; I549-I581 HydrophobicContact CG2-CG1 3.96Å; L550-I581 PolarHBondContact O-N 3.02Å; I551-I581 WeakPolarHBondContact CA-O 3.44Å; I551-I581 HydrophobicContact CG1-CB 4.13Å; I552-I581 PolarHBondContact N-O 3.32Å; I581-A583 PolarHBondContact O-N 2.96Å; I581-H685 HydrophobicContact CG2-CB 3.91Å; I581-F688 HydrophobicContact CD1-CD1 3.8Å; I581-F688 HydrophobicContact CD1-CE1 3.65Å; I581-L689 HydrophobicContact CG2-CD1 4.46Å; I581-L689 HydrophobicContact CG2-CD2 4.17Å; I581-L689 HydrophobicContact CG2-CG 4.21Å |
| 582 | W | 94.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 122 | -176.8 | -61.6 | 118.1 | 0 | 0 | 0 | 111.5 | I552 P554 I580 V584 T596 F599 L633 H685 | I552-W582 HydrophobicContact CD1-CZ3 4.17Å; I552-W582 HydrophobicContact CG1-CE3 4.31Å; I552-W582 HydrophobicContact CG1-CZ3 4.16Å; P554-W582 HydrophobicContact CB-CH2 4.46Å; P554-W582 HydrophobicContact CB-CZ3 3.83Å; P554-W582 HydrophobicContact CG-CE3 4.28Å; P554-W582 HydrophobicContact CG-CZ3 4.06Å; I580-W582 HydrophobicContact CD1-CH2 4.43Å; I580-W582 HydrophobicContact CD1-CZ2 4.44Å; I580-W582 HydrophobicContact CG2-CD2 3.71Å; I580-W582 HydrophobicContact CG2-CE3 3.92Å; I580-W582 HydrophobicContact CG2-CG 4.3Å; I580-W582 HydrophobicContact CG2-CH2 4.09Å; I580-W582 HydrophobicContact CG2-CZ2 3.87Å; I580-W582 HydrophobicContact CG2-CZ3 4.1Å; W582-V584 HydrophobicContact CB-CG2 4.37Å; W582-V584 PolarHBondContact O-N 2.84Å; W582-V584 VanDerWaalsContact O-N 3.11Å; W582-T596 HydrophobicContact CB-CG2 3.67Å; W582-T596 HydrophobicContact CD2-CG2 3.35Å; W582-T596 HydrophobicContact CE3-CG2 4.13Å; W582-T596 HydrophobicContact CG-CG2 3.1Å; W582-T596 HydrophobicContact CZ2-CG2 4.38Å; W582-F599 HydrophobicContact CH2-CD2 4.4Å; W582-F599 HydrophobicContact CZ2-CB 4.27Å; W582-F599 AromaticContact CZ2-CD1 3.92Å; W582-F599 HydrophobicContact CZ2-CD1 3.92Å; W582-F599 AromaticContact CZ2-CD2 3.79Å; W582-F599 HydrophobicContact CZ2-CD2 3.79Å; W582-F599 HydrophobicContact CZ2-CE1 4.19Å; W582-F599 HydrophobicContact CZ2-CE2 4.06Å; W582-F599 AromaticContact CZ2-CG 3.72Å; W582-F599 HydrophobicContact CZ2-CG 3.72Å; W582-F599 HydrophobicContact CZ2-CZ 4.26Å; W582-L633 HydrophobicContact CH2-CD1 3.81Å; W582-L633 HydrophobicContact CZ2-CD1 4.44Å; W582-H685 AromaticContact CD1-CE1 3.42Å; W582-H685 VanDerWaalsContact CD1-CE1 3.42Å; W582-H685 AromaticContact CD1-ND1 3.28Å; W582-H685 VanDerWaalsContact CD1-ND1 3.28Å; W582-H685 AromaticContact CG-ND1 3.72Å; W582-H685 PolarHBondContact N-ND1 2.91Å |
| 583 | A | 92.5 | Very high | 90.3 | Very high | 17 Ų | 17 | 31.2 Ų | 31.2 | 14% | 0.14 | 17% | 0.165 | C | C | . | . | trans | -87.5 | 53.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I551 I552 I581 L689 I700 | I551-A583 HydrophobicContact CG2-CB 3.84Å; I552-A583 PolarHBondContact O-N 2.66Å; I581-A583 PolarHBondContact O-N 2.96Å; A583-L689 HydrophobicContact CB-CD1 4.34Å; A583-I700 HydrophobicContact CB-CD1 3.64Å; A583-I700 HydrophobicContact CB-CG1 4.37Å; A583-I700 HydrophobicContact CB-CG2 4.23Å | ||
| 584 | V | 90.8 | Very high | 90.3 | Very high | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.03 | 16% | 0.157 | C | C | . | . | trans | -115.6 | 140 | -175.3 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | W582 P586 L593 V682 H686 | W582-V584 HydrophobicContact CB-CG2 4.37Å; W582-V584 PolarHBondContact O-N 2.84Å; W582-V584 VanDerWaalsContact O-N 3.11Å; V584-P586 WeakPolarHBondContact O-CD 3.48Å; V584-L593 HydrophobicContact CG1-CB 4.07Å; V584-L593 HydrophobicContact CG1-CD1 4.31Å; V584-V682 HydrophobicContact CB-CG1 4.24Å; V584-V682 HydrophobicContact CG1-CG1 4.47Å; V584-H686 PolarHBondContact O-ND1 2.74Å | ||
| 585 | N | 88 | Confident | 90.4 | Very high | 59 Ų | 59 | 28 Ų | 28 | 32% | 0.316 | 15% | 0.147 | S | C | . | . | trans | -84.4 | 114.5 | 173.6 | -174.2 | -18.6 | 0 | 0 | 0 | 109.8 | K587 L588 | N585-K587 PolarHBondContact O-N 3.33Å; N585-K587 VanDerWaalsContact O-N 3.16Å; N585-K587 WeakPolarHBondContact OD1-CB 3.46Å; N585-K587 PolarHBondContact OD1-N 3.38Å; N585-L588 HydrophobicContact CB-CB 4.46Å; N585-L588 HydrophobicContact CB-CD1 4.15Å; N585-L588 PolarHBondContact O-N 3.31Å | ||
| 586 | P | 87.2 | Confident | 90.4 | Very high | 12 Ų | 12 | 27.7 Ų | 27.7 | 8% | 0.078 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.6 | -176.3 | 26 | -33.9 | 0 | 0 | 0 | 113.4 | V584 S673 V682 H686 | V584-P586 WeakPolarHBondContact O-CD 3.48Å; P586-S673 WeakPolarHBondContact O-CB 3.18Å; P586-V682 HydrophobicContact CB-CG1 4.09Å; P586-H686 HydrophobicContact CG-CB 4.04Å |
| 587 | K | 83.5 | Confident | 90.2 | Very high | 166 Ų | 166 | 27.6 Ų | 27.6 | 72% | 0.722 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -13.7 | -178.7 | -61.4 | -176.8 | 179.6 | 179.3 | 0 | 114.1 | N585 S673 | N585-K587 PolarHBondContact O-N 3.33Å; N585-K587 VanDerWaalsContact O-N 3.16Å; N585-K587 WeakPolarHBondContact OD1-CB 3.46Å; N585-K587 PolarHBondContact OD1-N 3.38Å; K587-S673 PolarHBondContact O-OG 3.26Å |
| 588 | L | 82.3 | Confident | 90 | Very high | 108 Ų | 108 | 25.8 Ų | 25.8 | 57% | 0.565 | 14% | 0.138 | S | C | * | . | S | Bend | trans | -104.4 | 116.1 | -179.4 | -73.7 | 167.9 | 0 | 0 | 0 | 108.4 | N585 S590 | N585-L588 HydrophobicContact CB-CB 4.46Å; N585-L588 HydrophobicContact CB-CD1 4.15Å; N585-L588 PolarHBondContact O-N 3.31Å; L588-S590 PolarHBondContact O-N 3.03Å |
| 589 | N | 82 | Confident | 89.8 | Confident | 78 Ų | 78 | 25.9 Ų | 25.9 | 42% | 0.417 | 14% | 0.138 | S | C | . | . | trans | -66.6 | 108.5 | 171.7 | -172.9 | 10.8 | 0 | 0 | 0 | 108.9 | P671 | N589-P671 VanDerWaalsContact ND2-CA 3.29Å; N589-P671 WeakPolarHBondContact ND2-CA 3.26Å; N589-P671 PolarHBondContact ND2-O 3.31Å | ||
| 590 | S | 86.6 | Confident | 89.6 | Confident | 38 Ų | 38 | 26.3 Ų | 26.3 | 27% | 0.266 | 14% | 0.141 | S | C | . | . | trans | -138.9 | 157.3 | -174.4 | 64.1 | 0 | 0 | 0 | 0 | 110.4 | L588 S592 L593 I594 | L588-S590 PolarHBondContact O-N 3.03Å; S590-S592 PolarHBondContact O-N 3.03Å; S590-L593 WeakPolarHBondContact O-CB 3.03Å; S590-L593 PolarHBondContact O-N 3.17Å; S590-L593 PolarHBondContact OG-N 2.9Å; S590-I594 PolarHBondContact O-N 3.48Å | ||
| 591 | T | 88.1 | Confident | 89.3 | Confident | 36 Ų | 36 | 27.2 Ų | 27.2 | 22% | 0.221 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.3 | -35 | 173.1 | -42.2 | 0 | 0 | 0 | 0 | 111.3 | V555 I594 L595 I649 I652 | V555-T591 HydrophobicContact CG2-CG2 4.33Å; T591-I594 PolarHBondContact O-N 3.37Å; T591-L595 PolarHBondContact O-N 3.22Å; T591-I649 HydrophobicContact CG2-CG1 4.24Å; T591-I652 HydrophobicContact CG2-CD1 3.5Å; T591-I652 VanDerWaalsContact CG2-CD1 3.5Å |
| 592 | S | 89.5 | Confident | 89 | Confident | 13 Ų | 13 | 27.2 Ų | 27.2 | 9% | 0.091 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.5 | -49.2 | 175.6 | -45.2 | 0 | 0 | 0 | 0 | 111.2 | D553 V555 S590 I594 L595 T596 | D553-S592 WeakPolarHBondContact OD1-CB 3.27Å; D553-S592 PolarHBondContact OD1-OG 2.9Å; D553-S592 PolarHBondContact OD2-OG 3.3Å; V555-S592 VanDerWaalsContact CG2-OG 3.26Å; V555-S592 WeakPolarHBondContact CG2-OG 3.46Å; S590-S592 PolarHBondContact O-N 3.03Å; S592-I594 VanDerWaalsContact C-N 3.33Å; S592-I594 PolarHBondContact O-N 2.89Å; S592-L595 PolarHBondContact O-N 2.87Å; S592-T596 PolarHBondContact O-N 3.15Å; S592-T596 PolarHBondContact O-OG1 2.82Å |
| 593 | L | 90.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58 | -43.5 | 178.2 | -176.7 | 66.6 | 0 | 0 | 0 | 112.2 | V584 S590 T596 R597 V682 | V584-L593 HydrophobicContact CG1-CB 4.07Å; V584-L593 HydrophobicContact CG1-CD1 4.31Å; S590-L593 WeakPolarHBondContact O-CB 3.03Å; S590-L593 PolarHBondContact O-N 3.17Å; S590-L593 PolarHBondContact OG-N 2.9Å; L593-T596 WeakPolarHBondContact CA-OG1 3.29Å; L593-T596 PolarHBondContact O-N 2.76Å; L593-T596 PolarHBondContact O-OG1 3.14Å; L593-R597 WeakPolarHBondContact O-CG 3.47Å; L593-R597 PolarHBondContact O-N 3.3Å; L593-V682 HydrophobicContact CD1-CG1 4.06Å |
| 594 | I | 89.7 | Confident | 88.4 | Confident | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 179.8 | -65.5 | 175.4 | 0 | 0 | 0 | 111 | S590 T591 S592 T596 R597 I598 I649 F669 | S590-I594 PolarHBondContact O-N 3.48Å; T591-I594 PolarHBondContact O-N 3.37Å; S592-I594 VanDerWaalsContact C-N 3.33Å; S592-I594 PolarHBondContact O-N 2.89Å; I594-T596 VanDerWaalsContact C-N 3.28Å; I594-T596 PolarHBondContact O-N 3.14Å; I594-R597 PolarHBondContact O-N 2.94Å; I594-I598 HydrophobicContact CG2-CD1 4.07Å; I594-I598 WeakPolarHBondContact O-CG1 3.34Å; I594-I598 PolarHBondContact O-N 2.96Å; I594-I649 HydrophobicContact CD1-CB 4.46Å; I594-I649 HydrophobicContact CD1-CD1 3.77Å; I594-I649 HydrophobicContact CD1-CG1 3.94Å; I594-I649 HydrophobicContact CD1-CG2 3.69Å; I594-F669 HydrophobicContact CD1-CD1 4.31Å; I594-F669 HydrophobicContact CG2-CD1 3.53Å; I594-F669 HydrophobicContact CG2-CE1 3.39Å; I594-F669 HydrophobicContact CG2-CG 4.4Å; I594-F669 HydrophobicContact CG2-CZ 4.16Å |
| 595 | L | 91.3 | Very high | 88 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.9 | -39 | 175.7 | -75.9 | 173.9 | 0 | 0 | 0 | 111.8 | P554 V555 T591 S592 I598 F599 L633 I636 L647 I652 | P554-L595 HydrophobicContact CB-CB 4.29Å; P554-L595 HydrophobicContact CB-CD1 4.05Å; P554-L595 HydrophobicContact CG-CB 4.07Å; P554-L595 HydrophobicContact CG-CD1 4.32Å; V555-L595 HydrophobicContact CG2-CD1 3.96Å; T591-L595 PolarHBondContact O-N 3.22Å; S592-L595 PolarHBondContact O-N 2.87Å; L595-I598 PolarHBondContact O-N 2.84Å; L595-F599 WeakPolarHBondContact O-CB 3.34Å; L595-F599 PolarHBondContact O-N 3.33Å; L595-L633 HydrophobicContact CB-CD2 4.28Å; L595-L633 HydrophobicContact CD1-CD2 4.48Å; L595-L633 HydrophobicContact CD2-CD2 3.83Å; L595-L633 HydrophobicContact CG-CD2 4.42Å; L595-I636 HydrophobicContact CD2-CD1 4.48Å; L595-L647 HydrophobicContact CD1-CD2 4.11Å; L595-I652 HydrophobicContact CD1-CD1 4.42Å; L595-I652 HydrophobicContact CD2-CD1 3.81Å; L595-I652 HydrophobicContact CD2-CG1 4.17Å; L595-I652 HydrophobicContact CD2-CG2 4.03Å; L595-I652 HydrophobicContact CG-CD1 3.98Å |
| 596 | T | 90.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.3 | -41.6 | 175.2 | -3.7 | 0 | 0 | 0 | 0 | 112.8 | W582 S592 L593 I594 I598 F599 S600 V682 | W582-T596 HydrophobicContact CB-CG2 3.67Å; W582-T596 HydrophobicContact CD2-CG2 3.35Å; W582-T596 HydrophobicContact CE3-CG2 4.13Å; W582-T596 HydrophobicContact CG-CG2 3.1Å; W582-T596 HydrophobicContact CZ2-CG2 4.38Å; S592-T596 PolarHBondContact O-N 3.15Å; S592-T596 PolarHBondContact O-OG1 2.82Å; L593-T596 WeakPolarHBondContact CA-OG1 3.29Å; L593-T596 PolarHBondContact O-N 2.76Å; L593-T596 PolarHBondContact O-OG1 3.14Å; I594-T596 VanDerWaalsContact C-N 3.28Å; I594-T596 PolarHBondContact O-N 3.14Å; T596-I598 VanDerWaalsContact C-N 3.31Å; T596-I598 PolarHBondContact O-N 3.27Å; T596-F599 WeakPolarHBondContact O-CB 3.39Å; T596-F599 PolarHBondContact O-N 3.35Å; T596-F599 VanDerWaalsContact O-N 3.14Å; T596-S600 PolarHBondContact O-N 3.41Å; T596-S600 PolarHBondContact O-OG 2.64Å; T596-V682 HydrophobicContact CG2-CG2 3.57Å |
| 597 | R | 90.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.6 | -43.8 | 174.8 | -73.5 | 176.1 | 177.2 | 175.7 | -8.9 | 111.3 | L593 I594 F599 S600 Y601 I668 T670 E672 D679 | L593-R597 WeakPolarHBondContact O-CG 3.47Å; L593-R597 PolarHBondContact O-N 3.3Å; I594-R597 PolarHBondContact O-N 2.94Å; R597-F599 VanDerWaalsContact C-N 3.32Å; R597-F599 PolarHBondContact O-N 2.99Å; R597-S600 PolarHBondContact O-N 3.47Å; R597-Y601 WeakPolarHBondContact O-CB 3.37Å; R597-Y601 PolarHBondContact O-N 3.34Å; R597-I668 HydrophobicContact CB-CG2 4.08Å; R597-I668 WeakPolarHBondContact CD-O 3.48Å; R597-I668 PolarHBondContact NH1-O 3.37Å; R597-T670 PolarHBondContact NH1-O 2.98Å; R597-T670 PolarHBondContact NH1-OG1 3.1Å; R597-E672 PolarHBondContact NH2-O 3.46Å; R597-D679 IonicContact CZ-OD1 3.71Å; R597-D679 IonicContact CZ-OD2 3.12Å; R597-D679 IonicContact NE-OD1 3.74Å; R597-D679 PolarHBondContact NE-OD1 3.11Å; R597-D679 IonicContact NE-OD2 2.79Å; R597-D679 IonicContact NH2-OD1 2.85Å; R597-D679 PolarHBondContact NH2-OD1 2.89Å; R597-D679 IonicContact NH2-OD2 3.79Å; R597-D679 PolarHBondContact NH2-OD2 3.46Å |
| 598 | I | 90.4 | Very high | 87 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 174.9 | -66.7 | 165.8 | 0 | 0 | 0 | 110.6 | I594 L595 T596 S600 Y601 I602 F632 I652 F656 I668 F669 | I594-I598 HydrophobicContact CG2-CD1 4.07Å; I594-I598 WeakPolarHBondContact O-CG1 3.34Å; I594-I598 PolarHBondContact O-N 2.96Å; L595-I598 PolarHBondContact O-N 2.84Å; T596-I598 VanDerWaalsContact C-N 3.31Å; T596-I598 PolarHBondContact O-N 3.27Å; I598-S600 PolarHBondContact O-N 2.92Å; I598-Y601 PolarHBondContact O-N 2.86Å; I598-I602 HydrophobicContact CG2-CD1 3.64Å; I598-I602 HydrophobicContact CG2-CG1 4.17Å; I598-I602 WeakPolarHBondContact O-CB 3.47Å; I598-I602 VanDerWaalsContact O-CG1 3.27Å; I598-I602 WeakPolarHBondContact O-CG1 3.36Å; I598-I602 PolarHBondContact O-N 3.26Å; I598-F632 HydrophobicContact CB-CE1 4.45Å; I598-F632 HydrophobicContact CD1-CE1 4.48Å; I598-F632 HydrophobicContact CG2-CD1 3.8Å; I598-F632 HydrophobicContact CG2-CE1 3.34Å; I598-F632 HydrophobicContact CG2-CZ 4Å; I598-I652 HydrophobicContact CD1-CG2 3.29Å; I598-F656 HydrophobicContact CB-CD2 4.36Å; I598-F656 HydrophobicContact CB-CE2 4.42Å; I598-F656 HydrophobicContact CD1-CB 4.46Å; I598-F656 HydrophobicContact CD1-CD2 4.23Å; I598-F656 HydrophobicContact CD1-CG 4.39Å; I598-F656 HydrophobicContact CG1-CD2 3.96Å; I598-F656 HydrophobicContact CG1-CE2 4.21Å; I598-F656 HydrophobicContact CG1-CG 4.41Å; I598-F656 HydrophobicContact CG2-CD2 3.53Å; I598-F656 HydrophobicContact CG2-CE2 3.69Å; I598-I668 HydrophobicContact CG1-CG2 3.64Å; I598-F669 HydrophobicContact CD1-CE1 4.29Å; I598-F669 HydrophobicContact CD1-CE2 4.44Å; I598-F669 HydrophobicContact CD1-CZ 3.72Å; I598-F669 HydrophobicContact CG1-CZ 4.35Å |
| 599 | F | 92.1 | Very high | 86.5 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.013 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.8 | -48.9 | 176.9 | -172.8 | -83 | 0 | 0 | 0 | 111.5 | W582 L595 T596 R597 Y601 I602 S603 P626 A629 L633 | W582-F599 HydrophobicContact CH2-CD2 4.4Å; W582-F599 HydrophobicContact CZ2-CB 4.27Å; W582-F599 AromaticContact CZ2-CD1 3.92Å; W582-F599 HydrophobicContact CZ2-CD1 3.92Å; W582-F599 AromaticContact CZ2-CD2 3.79Å; W582-F599 HydrophobicContact CZ2-CD2 3.79Å; W582-F599 HydrophobicContact CZ2-CE1 4.19Å; W582-F599 HydrophobicContact CZ2-CE2 4.06Å; W582-F599 AromaticContact CZ2-CG 3.72Å; W582-F599 HydrophobicContact CZ2-CG 3.72Å; W582-F599 HydrophobicContact CZ2-CZ 4.26Å; L595-F599 WeakPolarHBondContact O-CB 3.34Å; L595-F599 PolarHBondContact O-N 3.33Å; T596-F599 WeakPolarHBondContact O-CB 3.39Å; T596-F599 PolarHBondContact O-N 3.35Å; T596-F599 VanDerWaalsContact O-N 3.14Å; R597-F599 VanDerWaalsContact C-N 3.32Å; R597-F599 PolarHBondContact O-N 2.99Å; F599-Y601 PolarHBondContact O-N 3.06Å; F599-I602 PolarHBondContact O-N 2.97Å; F599-S603 WeakPolarHBondContact O-CB 2.94Å; F599-S603 PolarHBondContact O-N 2.97Å; F599-P626 HydrophobicContact CZ-CB 4.32Å; F599-A629 HydrophobicContact CB-CB 4.47Å; F599-A629 HydrophobicContact CD1-CB 4.2Å; F599-A629 HydrophobicContact CD2-CB 3.35Å; F599-A629 HydrophobicContact CE1-CB 4.25Å; F599-A629 HydrophobicContact CE2-CB 3.42Å; F599-A629 VanDerWaalsContact CE2-CB 3.42Å; F599-A629 HydrophobicContact CG-CB 3.76Å; F599-A629 HydrophobicContact CZ-CB 3.88Å; F599-L633 HydrophobicContact CD2-CD1 3.69Å; F599-L633 HydrophobicContact CD2-CG 4.44Å; F599-L633 HydrophobicContact CE2-CD1 4.25Å |
| 600 | S | 90.5 | Very high | 85.7 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 6% | 0.056 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.2 | -37.5 | 177.7 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | T596 R597 I598 S604 E681 | T596-S600 PolarHBondContact O-N 3.41Å; T596-S600 PolarHBondContact O-OG 2.64Å; R597-S600 PolarHBondContact O-N 3.47Å; I598-S600 PolarHBondContact O-N 2.92Å; S600-S604 VanDerWaalsContact O-CB 3.31Å; S600-S604 WeakPolarHBondContact O-CB 3.38Å; S600-S604 PolarHBondContact O-N 3.37Å; S600-S604 PolarHBondContact O-OG 3.47Å; S600-E681 WeakPolarHBondContact CB-OE2 3.39Å; S600-E681 PolarHBondContact OG-OE2 3.01Å |
| 601 | Y | 89.3 | Confident | 84.4 | Confident | 20 Ų | 20 | 38 Ų | 38 | 8% | 0.078 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -54.3 | 173.3 | 171.1 | -94.5 | 0 | 0 | 0 | 111.2 | R597 I598 F599 S603 S604 T605 F656 F660 A663 I668 Y678 | R597-Y601 WeakPolarHBondContact O-CB 3.37Å; R597-Y601 PolarHBondContact O-N 3.34Å; I598-Y601 PolarHBondContact O-N 2.86Å; F599-Y601 PolarHBondContact O-N 3.06Å; Y601-S603 VanDerWaalsContact C-N 3.3Å; Y601-S603 PolarHBondContact O-N 3.43Å; Y601-S604 PolarHBondContact O-N 2.88Å; Y601-S604 PolarHBondContact O-OG 3.1Å; Y601-S604 VanDerWaalsContact O-OG 3.06Å; Y601-T605 WeakPolarHBondContact CE2-OG1 3.4Å; Y601-T605 VanDerWaalsContact O-CB 3.23Å; Y601-T605 WeakPolarHBondContact O-CB 3.49Å; Y601-T605 PolarHBondContact O-N 3.29Å; Y601-T605 PolarHBondContact O-OG1 2.97Å; Y601-F656 AromaticContact CD1-CE2 3.71Å; Y601-F656 HydrophobicContact CD1-CE2 3.71Å; Y601-F656 AromaticContact CD1-CZ 3.54Å; Y601-F656 HydrophobicContact CD1-CZ 3.54Å; Y601-F656 HydrophobicContact CE1-CE2 4.07Å; Y601-F656 AromaticContact CE1-CZ 3.66Å; Y601-F656 HydrophobicContact CE1-CZ 3.66Å; Y601-F656 HydrophobicContact CG-CZ 4.22Å; Y601-F660 HydrophobicContact CE1-CB 4.35Å; Y601-F660 HydrophobicContact CE1-CD1 4.01Å; Y601-F660 HydrophobicContact CE1-CG 4.14Å; Y601-A663 HydrophobicContact CE1-CB 3.96Å; Y601-A663 HydrophobicContact CE2-CB 4.12Å; Y601-A663 VanDerWaalsContact OH-CB 3.27Å; Y601-A663 WeakPolarHBondContact OH-CB 3.4Å; Y601-I668 HydrophobicContact CD1-CD1 4.15Å; Y601-I668 HydrophobicContact CD2-CD1 3.73Å; Y601-I668 HydrophobicContact CE2-CD1 4.28Å; Y601-I668 HydrophobicContact CG-CD1 3.67Å; Y601-Y678 AromaticContact CD2-CE1 3.96Å; Y601-Y678 HydrophobicContact CD2-CE1 3.96Å; Y601-Y678 HydrophobicContact CD2-CE2 4.06Å; Y601-Y678 AromaticContact CD2-CZ 3.55Å; Y601-Y678 WeakPolarHBondContact CD2-OH 3.33Å |
| 602 | I | 88.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.1 | -45.2 | -178.4 | -66.7 | 174.2 | 0 | 0 | 0 | 109.6 | I598 F599 T605 I606 A628 A629 F632 F660 | I598-I602 HydrophobicContact CG2-CD1 3.64Å; I598-I602 HydrophobicContact CG2-CG1 4.17Å; I598-I602 WeakPolarHBondContact O-CB 3.47Å; I598-I602 VanDerWaalsContact O-CG1 3.27Å; I598-I602 WeakPolarHBondContact O-CG1 3.36Å; I598-I602 PolarHBondContact O-N 3.26Å; F599-I602 PolarHBondContact O-N 2.97Å; I602-T605 PolarHBondContact O-N 2.81Å; I602-I606 HydrophobicContact CG2-CD1 3.55Å; I602-I606 HydrophobicContact CG2-CG1 4.44Å; I602-I606 WeakPolarHBondContact O-CB 3.25Å; I602-I606 WeakPolarHBondContact O-CG1 2.99Å; I602-I606 PolarHBondContact O-N 2.94Å; I602-A628 HydrophobicContact CG2-CB 4.22Å; I602-A629 HydrophobicContact CB-CB 3.98Å; I602-A629 HydrophobicContact CG2-CB 3.85Å; I602-F632 HydrophobicContact CD1-CB 3.8Å; I602-F632 HydrophobicContact CD1-CD1 3.7Å; I602-F632 HydrophobicContact CD1-CD2 4.21Å; I602-F632 HydrophobicContact CD1-CE1 4.31Å; I602-F632 HydrophobicContact CD1-CG 3.62Å; I602-F660 HydrophobicContact CD1-CE2 3.66Å; I602-F660 HydrophobicContact CD1-CZ 3.93Å; I602-F660 HydrophobicContact CG1-CE1 4.46Å; I602-F660 HydrophobicContact CG1-CE2 3.78Å; I602-F660 HydrophobicContact CG1-CZ 3.68Å; I602-F660 HydrophobicContact CG2-CZ 4.31Å |
| 603 | S | 88.5 | Confident | 82.1 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 10% | 0.098 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -49.7 | -178.6 | -165.9 | 0 | 0 | 0 | 0 | 112.1 | F599 Y601 M607 P626 | F599-S603 WeakPolarHBondContact O-CB 2.94Å; F599-S603 PolarHBondContact O-N 2.97Å; Y601-S603 VanDerWaalsContact C-N 3.3Å; Y601-S603 PolarHBondContact O-N 3.43Å; S603-M607 WeakPolarHBondContact O-CB 3.48Å; S603-M607 WeakPolarHBondContact O-CG 3.33Å; S603-M607 PolarHBondContact O-N 2.8Å; S603-M607 VanDerWaalsContact O-N 3.11Å; S603-P626 VanDerWaalsContact OG-CD 3.25Å; S603-P626 WeakPolarHBondContact OG-CD 3.35Å; S603-P626 WeakPolarHBondContact OG-CG 3.33Å |
| 604 | S | 85.8 | Confident | 80.8 | Confident | 45 Ų | 45 | 41.7 Ų | 41.7 | 32% | 0.315 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.7 | -40.8 | 179.1 | 58.1 | 0 | 0 | 0 | 0 | 113 | S600 Y601 N608 | S600-S604 VanDerWaalsContact O-CB 3.31Å; S600-S604 WeakPolarHBondContact O-CB 3.38Å; S600-S604 PolarHBondContact O-N 3.37Å; S600-S604 PolarHBondContact O-OG 3.47Å; Y601-S604 PolarHBondContact O-N 2.88Å; Y601-S604 PolarHBondContact O-OG 3.1Å; Y601-S604 VanDerWaalsContact O-OG 3.06Å; S604-N608 VanDerWaalsContact O-CG 3.31Å; S604-N608 PolarHBondContact O-N 2.93Å; S604-N608 PolarHBondContact O-ND2 3.38Å |
| 605 | T | 83.5 | Confident | 79.2 | Confident | 41 Ų | 41 | 46.2 Ų | 46.2 | 25% | 0.252 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.6 | -45.1 | -178.6 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | Y601 I602 N608 S609 | Y601-T605 WeakPolarHBondContact CE2-OG1 3.4Å; Y601-T605 VanDerWaalsContact O-CB 3.23Å; Y601-T605 WeakPolarHBondContact O-CB 3.49Å; Y601-T605 PolarHBondContact O-N 3.29Å; Y601-T605 PolarHBondContact O-OG1 2.97Å; I602-T605 PolarHBondContact O-N 2.81Å; T605-N608 PolarHBondContact O-N 3.07Å; T605-S609 WeakPolarHBondContact O-CB 3.4Å; T605-S609 PolarHBondContact O-N 3.19Å; T605-S609 PolarHBondContact O-OG 3.04Å |
| 606 | I | 81.9 | Confident | 77.4 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.6 | -36.8 | -178.5 | -68.7 | 173.4 | 0 | 0 | 0 | 111.5 | I602 N608 H610 P624 A628 | I602-I606 HydrophobicContact CG2-CD1 3.55Å; I602-I606 HydrophobicContact CG2-CG1 4.44Å; I602-I606 WeakPolarHBondContact O-CB 3.25Å; I602-I606 WeakPolarHBondContact O-CG1 2.99Å; I602-I606 PolarHBondContact O-N 2.94Å; I606-N608 PolarHBondContact O-N 2.82Å; I606-H610 WeakPolarHBondContact O-CA 3.31Å; I606-H610 PolarHBondContact O-N 2.83Å; I606-P624 HydrophobicContact CG2-CB 4.22Å; I606-A628 HydrophobicContact CD1-CB 3.24Å |
| 607 | M | 78.5 | Confident | 75.6 | Confident | 86 Ų | 86 | 56.1 Ų | 56.1 | 42% | 0.424 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.6 | -36 | 172.9 | -77.4 | -112.6 | 119.8 | 0 | 0 | 112.2 | S603 S623 P624 | S603-M607 WeakPolarHBondContact O-CB 3.48Å; S603-M607 WeakPolarHBondContact O-CG 3.33Å; S603-M607 PolarHBondContact O-N 2.8Å; S603-M607 VanDerWaalsContact O-N 3.11Å; M607-S623 WeakPolarHBondContact CE-OG 3.45Å; M607-P624 HydrophobicContact CE-CG 4.01Å |
| 608 | N | 78.2 | Confident | 74 | Confident | 140 Ų | 140 | 59.2 Ų | 59.2 | 75% | 0.749 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -86.1 | -35.1 | -178.6 | -70 | -26.3 | 0 | 0 | 0 | 113.8 | S604 T605 I606 | S604-N608 VanDerWaalsContact O-CG 3.31Å; S604-N608 PolarHBondContact O-N 2.93Å; S604-N608 PolarHBondContact O-ND2 3.38Å; T605-N608 PolarHBondContact O-N 3.07Å; I606-N608 PolarHBondContact O-N 2.82Å |
| 609 | S | 71.2 | Confident | 72.7 | Confident | 58 Ų | 58 | 66.9 Ų | 66.9 | 41% | 0.406 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -96.9 | -18.1 | -172.8 | 60.3 | 0 | 0 | 0 | 0 | 114.4 | T605 E611 | T605-S609 WeakPolarHBondContact O-CB 3.4Å; T605-S609 PolarHBondContact O-N 3.19Å; T605-S609 PolarHBondContact O-OG 3.04Å; S609-E611 PolarHBondContact O-N 2.84Å |
| 610 | H | 64.7 | Low | 71.8 | Confident | 162 Ų | 162 | 68.2 Ų | 68.2 | 75% | 0.75 | 38% | 0.377 | S | S | * | . | trans | 57.6 | 0.1 | -171.3 | -66.4 | -62.2 | 0 | 0 | 0 | 116.1 | I606 | I606-H610 WeakPolarHBondContact O-CA 3.31Å; I606-H610 PolarHBondContact O-N 2.83Å | ||
| 611 | E | 58.5 | Low | 71.1 | Confident | 161 Ų | 161 | 68.1 Ų | 68.1 | 75% | 0.752 | 38% | 0.376 | S | S | * | . | trans | -104.7 | 122.8 | 177.4 | -71.7 | -175.3 | 166.5 | 0 | 0 | 110 | S609 | S609-E611 PolarHBondContact O-N 2.84Š| ||
| 612 | S | 65 | Low | 70.5 | Confident | 38 Ų | 38 | 67.6 Ų | 67.6 | 27% | 0.266 | 38% | 0.376 | S | S | . | . | trans | -117.1 | 130.9 | 177.5 | 168.2 | 0 | 0 | 0 | 0 | 109.6 | F614 | S612-F614 PolarHBondContact O-N 2.87Å; S612-F614 PolarHBondContact OG-N 3.11Å; S612-F614 PolarHBondContact OG-O 3.26Å | ||
| 613 | P | 65.3 | Low | 70.1 | Confident | 72 Ų | 72 | 68.9 Ų | 68.9 | 47% | 0.468 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -69 | -15.1 | 169.9 | 26.6 | -30.3 | 0 | 0 | 0 | 112.5 | F660 | P613-F660 HydrophobicContact CG-CE1 3.71Å; P613-F660 HydrophobicContact CG-CZ 3.78Å |
| 614 | F | 62.7 | Low | 69.6 | Low | 17 Ų | 17 | 70.6 Ų | 70.6 | 8% | 0.075 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -93.3 | 134.5 | 176.4 | -57.3 | -74.8 | 0 | 0 | 0 | 111 | S612 V616 A628 F632 L659 F660 | S612-F614 PolarHBondContact O-N 2.87Å; S612-F614 PolarHBondContact OG-N 3.11Å; S612-F614 PolarHBondContact OG-O 3.26Å; F614-V616 PolarHBondContact O-N 3.36Å; F614-A628 HydrophobicContact CD2-CB 4.32Å; F614-F632 HydrophobicContact CE1-CD2 4.46Å; F614-F632 HydrophobicContact CE2-CB 4.1Å; F614-F632 HydrophobicContact CE2-CD2 4.33Å; F614-F632 HydrophobicContact CZ-CB 4Å; F614-F632 AromaticContact CZ-CD2 3.67Å; F614-F632 HydrophobicContact CZ-CD2 3.67Å; F614-F632 HydrophobicContact CZ-CG 4.3Å; F614-L659 HydrophobicContact CE1-CD1 4.26Å; F614-L659 HydrophobicContact CE1-CD2 4.27Å; F614-L659 HydrophobicContact CZ-CD1 3.97Å; F614-L659 HydrophobicContact CZ-CD2 4.23Å; F614-F660 HydrophobicContact CE2-CE2 4Å; F614-F660 AromaticContact CE2-CZ 3.77Å; F614-F660 HydrophobicContact CE2-CZ 3.77Å; F614-F660 HydrophobicContact CZ-CE2 4.36Å |
| 615 | P | 55.6 | Low | 69.6 | Low | 100 Ų | 100 | 68.5 Ų | 68.5 | 65% | 0.649 | 38% | 0.381 | S | S | * | . | trans | -68.5 | 101 | 175.6 | 27.9 | -31.3 | 0 | 0 | 0 | 109.1 | Q617 | P615-Q617 VanDerWaalsContact C-N 3.26Å; P615-Q617 HydrophobicContact CB-CG 4.41Å; P615-Q617 PolarHBondContact O-N 2.84Å | ||
| 616 | V | 54.2 | Low | 69.7 | Low | 53 Ų | 53 | 66.9 Ų | 66.9 | 32% | 0.321 | 37% | 0.372 | S | S | . | . | trans | -70 | 93.3 | 163.3 | -172.7 | 0 | 0 | 0 | 0 | 105.6 | F614 I618 | F614-V616 PolarHBondContact O-N 3.36Å; V616-I618 PolarHBondContact O-N 2.9Å | ||
| 617 | Q | 53.5 | Low | 69.9 | Low | 157 Ų | 157 | 67.2 Ų | 67.2 | 73% | 0.734 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -62.7 | -11.2 | -164.9 | -75.1 | -177.1 | -8.1 | 0 | 0 | 114.5 | P615 | P615-Q617 VanDerWaalsContact C-N 3.26Å; P615-Q617 HydrophobicContact CB-CG 4.41Å; P615-Q617 PolarHBondContact O-N 2.84Å |
| 618 | I | 57.2 | Low | 70.2 | Confident | 65 Ų | 65 | 63.2 Ų | 63.2 | 33% | 0.333 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -132.3 | 116.2 | -180 | -57.3 | 177.9 | 0 | 0 | 0 | 109 | V616 G620 L621 | V616-I618 PolarHBondContact O-N 2.9Å; I618-G620 PolarHBondContact O-N 3.15Å; I618-L621 HydrophobicContact CB-CB 3.8Å; I618-L621 HydrophobicContact CB-CD2 4.13Å; I618-L621 HydrophobicContact CD1-CD2 4.1Å; I618-L621 HydrophobicContact CG1-CD2 4.5Å; I618-L621 HydrophobicContact CG2-CB 3.9Å; I618-L621 WeakPolarHBondContact O-CB 3.06Å; I618-L621 PolarHBondContact O-N 3.21Å |
| 619 | N | 63.1 | Low | 70.7 | Confident | 162 Ų | 162 | 56.6 Ų | 56.6 | 87% | 0.866 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 120.4 | 178 | -86 | -8.2 | 0 | 0 | 0 | 111.1 | ||
| 620 | G | 73 | Confident | 71.6 | Confident | 30 Ų | 30 | 53.8 Ų | 53.8 | 31% | 0.309 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 14.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | P517 A518 I618 | P517-G620 WeakPolarHBondContact CD-O 3.44Å; A518-G620 VanDerWaalsContact CB-O 3.25Å; A518-G620 WeakPolarHBondContact CB-O 3.49Å; A518-G620 PolarHBondContact N-O 3.03Å; A518-G620 VanDerWaalsContact N-O 3.1Å; I618-G620 PolarHBondContact O-N 3.15Å |
| 621 | L | 75.9 | Confident | 72.7 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | trans | -83.6 | 118.8 | 172.5 | -173.5 | 80 | 0 | 0 | 0 | 110.7 | A518 M573 I618 | A518-L621 HydrophobicContact CB-CB 4.14Å; A518-L621 HydrophobicContact CB-CD1 3.82Å; M573-L621 HydrophobicContact CG-CD1 3.64Å; M573-L621 HydrophobicContact SD-CD1 4.12Å; I618-L621 HydrophobicContact CB-CB 3.8Å; I618-L621 HydrophobicContact CB-CD2 4.13Å; I618-L621 HydrophobicContact CD1-CD2 4.1Å; I618-L621 HydrophobicContact CG1-CD2 4.5Å; I618-L621 HydrophobicContact CG2-CB 3.9Å; I618-L621 WeakPolarHBondContact O-CB 3.06Å; I618-L621 PolarHBondContact O-N 3.21Å | ||
| 622 | G | 76 | Confident | 74.2 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 66.8 | -174.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | M510 D516 | M510-G622 CarbonylContact O-C 3.57Å; M510-G622 WeakPolarHBondContact O-CA 3.42Å; D516-G622 VanDerWaalsContact OD2-CA 3.32Å; D516-G622 WeakPolarHBondContact OD2-CA 3.45Å |
| 623 | S | 79.6 | Confident | 75.4 | Confident | 28 Ų | 28 | 38.2 Ų | 38.2 | 20% | 0.196 | 23% | 0.225 | C | C | . | . | trans | -83.4 | 118.3 | 174.6 | -165.8 | 0 | 0 | 0 | 0 | 109 | M510 M607 G625 P626 M627 | M510-S623 PolarHBondContact O-N 3.46Å; M607-S623 WeakPolarHBondContact CE-OG 3.45Å; S623-G625 VanDerWaalsContact C-N 3.31Å; S623-G625 PolarHBondContact O-N 2.81Å; S623-P626 WeakPolarHBondContact O-CD 3.44Å; S623-M627 VanDerWaalsContact O-CB 3.29Å; S623-M627 WeakPolarHBondContact O-CB 3.19Å; S623-M627 PolarHBondContact O-N 3.13Å | ||
| 624 | P | 78.6 | Confident | 76.5 | Confident | 50 Ų | 50 | 35.3 Ų | 35.3 | 33% | 0.325 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.8 | -36.6 | -166.7 | 18.8 | -30.8 | 0 | 0 | 0 | 113.7 | I606 M607 A628 | I606-P624 HydrophobicContact CG2-CB 4.22Å; M607-P624 HydrophobicContact CE-CG 4.01Å; P624-A628 WeakPolarHBondContact O-CB 3.46Å; P624-A628 PolarHBondContact O-N 3.49Å; P624-A628 VanDerWaalsContact O-N 3.15Å |
| 625 | G | 84.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.4 | -62.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S623 M627 A628 A629 | S623-G625 VanDerWaalsContact C-N 3.31Å; S623-G625 PolarHBondContact O-N 2.81Å; G625-M627 PolarHBondContact O-N 3.35Å; G625-A628 PolarHBondContact O-N 2.91Å; G625-A629 PolarHBondContact O-N 3.01Å |
| 626 | P | 87.6 | Confident | 79.2 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 5% | 0.045 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.9 | -34.7 | 179 | -26.4 | 32.9 | 0 | 0 | 0 | 113.2 | F599 S603 S623 A629 L630 | F599-P626 HydrophobicContact CZ-CB 4.32Å; S603-P626 VanDerWaalsContact OG-CD 3.25Å; S603-P626 WeakPolarHBondContact OG-CD 3.35Å; S603-P626 WeakPolarHBondContact OG-CG 3.33Å; S623-P626 WeakPolarHBondContact O-CD 3.44Å; P626-A629 PolarHBondContact O-N 3.27Å; P626-L630 PolarHBondContact O-N 2.76Å |
| 627 | M | 85 | Confident | 80.9 | Confident | 11 Ų | 11 | 31 Ų | 31 | 5% | 0.054 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.4 | -42.1 | -177.7 | -158.1 | 58.6 | -162.6 | 0 | 0 | 112.4 | E567 L570 S623 G625 A629 L630 S631 | E567-M627 HydrophobicContact CG-CE 3.93Å; L570-M627 HydrophobicContact CB-CE 3.78Å; L570-M627 HydrophobicContact CB-SD 4.36Å; L570-M627 HydrophobicContact CD1-CE 3.8Å; L570-M627 HydrophobicContact CD1-SD 3.56Å; L570-M627 VanDerWaalsContact CD1-SD 3.56Å; L570-M627 HydrophobicContact CG-CE 4.44Å; S623-M627 VanDerWaalsContact O-CB 3.29Å; S623-M627 WeakPolarHBondContact O-CB 3.19Å; S623-M627 PolarHBondContact O-N 3.13Å; G625-M627 PolarHBondContact O-N 3.35Å; M627-A629 VanDerWaalsContact C-N 3.28Å; M627-A629 PolarHBondContact O-N 2.98Å; M627-L630 HydrophobicContact CE-CD2 3.91Å; M627-L630 WeakPolarHBondContact O-CB 3.06Å; M627-L630 PolarHBondContact O-N 3.38Å; M627-L630 HydrophobicContact SD-CD2 4.06Å; M627-S631 PolarHBondContact O-N 2.6Å; M627-S631 PolarHBondContact O-OG 3.33Å |
| 628 | A | 84.6 | Confident | 82.4 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 2% | 0.017 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.7 | -35.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I602 I606 F614 P624 G625 S631 F632 | I602-A628 HydrophobicContact CG2-CB 4.22Å; I606-A628 HydrophobicContact CD1-CB 3.24Å; F614-A628 HydrophobicContact CD2-CB 4.32Å; P624-A628 WeakPolarHBondContact O-CB 3.46Å; P624-A628 PolarHBondContact O-N 3.49Å; P624-A628 VanDerWaalsContact O-N 3.15Å; G625-A628 PolarHBondContact O-N 2.91Å; A628-S631 PolarHBondContact O-N 2.84Å; A628-F632 PolarHBondContact O-N 2.84Å |
| 629 | A | 89.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.7 | -36.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | F599 I602 G625 P626 M627 F632 L633 | F599-A629 HydrophobicContact CB-CB 4.47Å; F599-A629 HydrophobicContact CD1-CB 4.2Å; F599-A629 HydrophobicContact CD2-CB 3.35Å; F599-A629 HydrophobicContact CE1-CB 4.25Å; F599-A629 HydrophobicContact CE2-CB 3.42Å; F599-A629 VanDerWaalsContact CE2-CB 3.42Å; F599-A629 HydrophobicContact CG-CB 3.76Å; F599-A629 HydrophobicContact CZ-CB 3.88Å; I602-A629 HydrophobicContact CB-CB 3.98Å; I602-A629 HydrophobicContact CG2-CB 3.85Å; G625-A629 PolarHBondContact O-N 3.01Å; P626-A629 PolarHBondContact O-N 3.27Å; M627-A629 VanDerWaalsContact C-N 3.28Å; M627-A629 PolarHBondContact O-N 2.98Å; A629-F632 PolarHBondContact O-N 3.35Å; A629-L633 PolarHBondContact O-N 3.05Å |
| 630 | L | 89.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.2 | -48.9 | 172.8 | -176.3 | 65.1 | 0 | 0 | 0 | 111.8 | M510 L563 E567 L570 P626 M627 F632 L633 T634 | M510-L630 HydrophobicContact CE-CB 3.51Å; M510-L630 HydrophobicContact CE-CD1 3.88Å; M510-L630 HydrophobicContact CE-CD2 3.53Å; M510-L630 HydrophobicContact CE-CG 3.79Å; M510-L630 HydrophobicContact SD-CD2 4.13Å; L563-L630 HydrophobicContact CB-CD1 4.17Å; L563-L630 HydrophobicContact CD2-CD1 3.6Å; L563-L630 HydrophobicContact CG-CD1 4.45Å; E567-L630 HydrophobicContact CB-CD2 3.65Å; E567-L630 HydrophobicContact CB-CG 4.32Å; E567-L630 HydrophobicContact CG-CD2 4.12Å; L570-L630 HydrophobicContact CD1-CD2 4.27Å; P626-L630 PolarHBondContact O-N 2.76Å; M627-L630 HydrophobicContact CE-CD2 3.91Å; M627-L630 WeakPolarHBondContact O-CB 3.06Å; M627-L630 PolarHBondContact O-N 3.38Å; M627-L630 HydrophobicContact SD-CD2 4.06Å; L630-F632 PolarHBondContact O-N 3.3Å; L630-L633 WeakPolarHBondContact O-CB 3.29Å; L630-L633 PolarHBondContact O-N 2.55Å; L630-T634 PolarHBondContact O-N 2.91Å; L630-T634 PolarHBondContact O-OG1 3.38Å |
| 631 | S | 87.3 | Confident | 84.6 | Confident | 29 Ų | 29 | 20.3 Ų | 20.3 | 20% | 0.203 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.1 | -35.3 | 178.7 | -65.4 | 0 | 0 | 0 | 0 | 111.9 | E567 M627 A628 T634 E635 | E567-S631 WeakPolarHBondContact OE1-CA 3.15Å; E567-S631 WeakPolarHBondContact OE1-CB 3.26Å; E567-S631 PolarHBondContact OE1-OG 3.1Å; M627-S631 PolarHBondContact O-N 2.6Å; M627-S631 PolarHBondContact O-OG 3.33Å; A628-S631 PolarHBondContact O-N 2.84Å; S631-T634 WeakPolarHBondContact CA-OG1 3.35Å; S631-T634 PolarHBondContact O-OG1 2.76Å; S631-T634 VanDerWaalsContact O-OG1 3.12Å; S631-E635 VanDerWaalsContact O-CB 3.29Å; S631-E635 WeakPolarHBondContact O-CB 3.42Å; S631-E635 PolarHBondContact O-N 2.95Å |
| 632 | F | 90 | Very high | 84.7 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 172.8 | 176.1 | -100.5 | 0 | 0 | 0 | 112.4 | I598 I602 F614 A628 A629 L630 E635 I636 F656 L659 | I598-F632 HydrophobicContact CB-CE1 4.45Å; I598-F632 HydrophobicContact CD1-CE1 4.48Å; I598-F632 HydrophobicContact CG2-CD1 3.8Å; I598-F632 HydrophobicContact CG2-CE1 3.34Å; I598-F632 HydrophobicContact CG2-CZ 4Å; I602-F632 HydrophobicContact CD1-CB 3.8Å; I602-F632 HydrophobicContact CD1-CD1 3.7Å; I602-F632 HydrophobicContact CD1-CD2 4.21Å; I602-F632 HydrophobicContact CD1-CE1 4.31Å; I602-F632 HydrophobicContact CD1-CG 3.62Å; F614-F632 HydrophobicContact CE1-CD2 4.46Å; F614-F632 HydrophobicContact CE2-CB 4.1Å; F614-F632 HydrophobicContact CE2-CD2 4.33Å; F614-F632 HydrophobicContact CZ-CB 4Å; F614-F632 AromaticContact CZ-CD2 3.67Å; F614-F632 HydrophobicContact CZ-CD2 3.67Å; F614-F632 HydrophobicContact CZ-CG 4.3Å; A628-F632 PolarHBondContact O-N 2.84Å; A629-F632 PolarHBondContact O-N 3.35Å; L630-F632 PolarHBondContact O-N 3.3Å; F632-E635 PolarHBondContact O-N 2.97Å; F632-I636 HydrophobicContact CD1-CD1 4.18Å; F632-I636 HydrophobicContact CE1-CD1 3.36Å; F632-I636 HydrophobicContact CE1-CG1 4.2Å; F632-I636 HydrophobicContact CE2-CD1 4.08Å; F632-I636 HydrophobicContact CE2-CG1 4.39Å; F632-I636 HydrophobicContact CZ-CD1 3.34Å; F632-I636 HydrophobicContact CZ-CG1 4.11Å; F632-I636 PolarHBondContact O-N 3.12Å; F632-F656 HydrophobicContact CZ-CB 4.26Å; F632-F656 HydrophobicContact CZ-CD2 4.17Å; F632-L659 HydrophobicContact CD2-CD1 4.09Å; F632-L659 HydrophobicContact CE2-CD1 3.87Å |
| 633 | L | 91.1 | Very high | 84.5 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.5 | -48.5 | 177.5 | -77.2 | 174.1 | 0 | 0 | 0 | 111.8 | L563 W582 L595 F599 A629 L630 E635 I636 Y637 | L563-L633 HydrophobicContact CD1-CD1 4.49Å; W582-L633 HydrophobicContact CH2-CD1 3.81Å; W582-L633 HydrophobicContact CZ2-CD1 4.44Å; L595-L633 HydrophobicContact CB-CD2 4.28Å; L595-L633 HydrophobicContact CD1-CD2 4.48Å; L595-L633 HydrophobicContact CD2-CD2 3.83Å; L595-L633 HydrophobicContact CG-CD2 4.42Å; F599-L633 HydrophobicContact CD2-CD1 3.69Å; F599-L633 HydrophobicContact CD2-CG 4.44Å; F599-L633 HydrophobicContact CE2-CD1 4.25Å; A629-L633 PolarHBondContact O-N 3.05Å; L630-L633 WeakPolarHBondContact O-CB 3.29Å; L630-L633 PolarHBondContact O-N 2.55Å; L633-E635 VanDerWaalsContact C-N 3.3Å; L633-E635 PolarHBondContact O-N 3.16Å; L633-I636 WeakPolarHBondContact O-CB 3.2Å; L633-I636 PolarHBondContact O-N 2.96Å; L633-I636 VanDerWaalsContact O-N 3.13Å; L633-Y637 HydrophobicContact CB-CE2 4.08Å; L633-Y637 WeakPolarHBondContact O-CD1 3.33Å; L633-Y637 WeakPolarHBondContact O-CD2 3.31Å; L633-Y637 PolarHBondContact O-N 2.87Å |
| 634 | T | 88.1 | Confident | 84.1 | Confident | 12 Ų | 12 | 37.6 Ų | 37.6 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.6 | -35.2 | -179.9 | 52.1 | 0 | 0 | 0 | 0 | 111.9 | K564 E567 L630 S631 Y637 A638 | K564-T634 HydrophobicContact CG-CG2 3.96Å; E567-T634 VanDerWaalsContact OE2-CB 3.24Å; E567-T634 WeakPolarHBondContact OE2-CB 3.2Å; E567-T634 VanDerWaalsContact OE2-CG2 3.28Å; E567-T634 WeakPolarHBondContact OE2-CG2 3.48Å; E567-T634 PolarHBondContact OE2-OG1 3.03Å; L630-T634 PolarHBondContact O-N 2.91Å; L630-T634 PolarHBondContact O-OG1 3.38Å; S631-T634 WeakPolarHBondContact CA-OG1 3.35Å; S631-T634 PolarHBondContact O-OG1 2.76Å; S631-T634 VanDerWaalsContact O-OG1 3.12Å; T634-Y637 PolarHBondContact O-N 3.42Å; T634-A638 WeakPolarHBondContact O-CB 3.12Å; T634-A638 PolarHBondContact O-N 3.23Å |
| 635 | E | 87 | Confident | 83.5 | Confident | 75 Ų | 75 | 37.4 Ų | 37.4 | 35% | 0.35 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.5 | -34.3 | 173.3 | -154.9 | -151.6 | 129.3 | 0 | 0 | 112.8 | S631 F632 L633 N639 K655 | S631-E635 VanDerWaalsContact O-CB 3.29Å; S631-E635 WeakPolarHBondContact O-CB 3.42Å; S631-E635 PolarHBondContact O-N 2.95Å; F632-E635 PolarHBondContact O-N 2.97Å; L633-E635 VanDerWaalsContact C-N 3.3Å; L633-E635 PolarHBondContact O-N 3.16Å; E635-N639 PolarHBondContact O-N 3.23Å; E635-K655 VanDerWaalsContact CD-NZ 3.34Å; E635-K655 PolarHBondContact O-NZ 3.09Å; E635-K655 WeakPolarHBondContact OE1-CE 3.42Å; E635-K655 IonicContact OE1-NZ 3.5Å; E635-K655 PolarHBondContact OE1-NZ 3.14Å |
| 636 | I | 88.9 | Confident | 82.8 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.8 | -46.4 | 170.6 | -79.3 | -168.9 | 0 | 0 | 0 | 110.4 | L595 F632 L633 A638 N639 A640 L647 I652 K655 | L595-I636 HydrophobicContact CD2-CD1 4.48Å; F632-I636 HydrophobicContact CD1-CD1 4.18Å; F632-I636 HydrophobicContact CE1-CD1 3.36Å; F632-I636 HydrophobicContact CE1-CG1 4.2Å; F632-I636 HydrophobicContact CE2-CD1 4.08Å; F632-I636 HydrophobicContact CE2-CG1 4.39Å; F632-I636 HydrophobicContact CZ-CD1 3.34Å; F632-I636 HydrophobicContact CZ-CG1 4.11Å; F632-I636 PolarHBondContact O-N 3.12Å; L633-I636 WeakPolarHBondContact O-CB 3.2Å; L633-I636 PolarHBondContact O-N 2.96Å; L633-I636 VanDerWaalsContact O-N 3.13Å; I636-A638 PolarHBondContact O-N 2.98Å; I636-N639 PolarHBondContact O-N 3.45Å; I636-A640 PolarHBondContact O-N 3.48Å; I636-L647 HydrophobicContact CG2-CD2 3.69Å; I636-L647 HydrophobicContact CG2-CG 4.48Å; I636-I652 HydrophobicContact CD1-CG1 4.42Å; I636-I652 HydrophobicContact CD1-CG2 4.17Å; I636-K655 HydrophobicContact CG1-CD 3.86Å |
| 637 | Y | 88.7 | Confident | 82.4 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | -179.7 | -58.8 | -24.5 | 0 | 0 | 0 | 111.9 | P554 R560 L563 L633 T634 N639 A640 E641 L647 | P554-Y637 WeakPolarHBondContact CB-OH 3.21Å; P554-Y637 PolarHBondContact O-OH 2.93Å; R560-Y637 HydrophobicContact CB-CD2 3.88Å; R560-Y637 HydrophobicContact CB-CE2 4.07Å; R560-Y637 HydrophobicContact CB-CG 4.25Å; R560-Y637 HydrophobicContact CG-CD1 3.97Å; R560-Y637 HydrophobicContact CG-CD2 3.86Å; R560-Y637 HydrophobicContact CG-CE1 3.9Å; R560-Y637 HydrophobicContact CG-CE2 3.8Å; R560-Y637 HydrophobicContact CG-CG 3.96Å; L563-Y637 HydrophobicContact CB-CE2 4.43Å; L563-Y637 HydrophobicContact CD1-CE2 3.86Å; L633-Y637 HydrophobicContact CB-CE2 4.08Å; L633-Y637 WeakPolarHBondContact O-CD1 3.33Å; L633-Y637 WeakPolarHBondContact O-CD2 3.31Å; L633-Y637 PolarHBondContact O-N 2.87Å; T634-Y637 PolarHBondContact O-N 3.42Å; Y637-N639 VanDerWaalsContact C-N 3.26Å; Y637-N639 PolarHBondContact O-N 2.61Å; Y637-A640 PolarHBondContact O-N 2.77Å; Y637-E641 PolarHBondContact O-N 2.84Å; Y637-L647 HydrophobicContact CD1-CD1 3.81Å; Y637-L647 HydrophobicContact CE1-CD1 3.94Å |
| 638 | A | 84.8 | Confident | 82.2 | Confident | 34 Ų | 34 | 48.4 Ų | 48.4 | 28% | 0.281 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61 | -34.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T634 I636 K642 | T634-A638 WeakPolarHBondContact O-CB 3.12Å; T634-A638 PolarHBondContact O-N 3.23Å; I636-A638 PolarHBondContact O-N 2.98Å; A638-K642 WeakPolarHBondContact O-CB 3.26Å; A638-K642 WeakPolarHBondContact O-CG 3.42Å; A638-K642 PolarHBondContact O-N 3.35Å; A638-K642 VanDerWaalsContact O-N 3.08Å |
| 639 | N | 82.6 | Confident | 82.1 | Confident | 66 Ų | 66 | 51.6 Ų | 51.6 | 35% | 0.353 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -73.7 | -40.5 | 175.7 | -88 | 7.3 | 0 | 0 | 0 | 112.9 | E635 I636 Y637 E641 K642 S643 K655 | E635-N639 PolarHBondContact O-N 3.23Å; I636-N639 PolarHBondContact O-N 3.45Å; Y637-N639 VanDerWaalsContact C-N 3.26Å; Y637-N639 PolarHBondContact O-N 2.61Å; N639-E641 VanDerWaalsContact C-N 3.33Å; N639-K642 PolarHBondContact O-N 3.06Å; N639-S643 WeakPolarHBondContact O-CB 3.35Å; N639-S643 PolarHBondContact O-N 3.37Å; N639-S643 PolarHBondContact O-OG 2.83Å; N639-K655 WeakPolarHBondContact ND2-CE 3.37Å; N639-K655 PolarHBondContact ND2-NZ 3.36Å |
| 640 | A | 79.9 | Confident | 81.8 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | I636 Y637 S643 N644 S645 L647 L651 | I636-A640 PolarHBondContact O-N 3.48Å; Y637-A640 PolarHBondContact O-N 2.77Å; A640-S643 PolarHBondContact O-N 3.44Å; A640-S643 PolarHBondContact O-OG 3.09Å; A640-N644 PolarHBondContact O-N 3.12Å; A640-S645 PolarHBondContact O-N 3.25Å; A640-L647 HydrophobicContact CB-CG 4.4Å; A640-L651 HydrophobicContact CB-CD2 4.5Å |
| 641 | E | 77.6 | Confident | 81.5 | Confident | 85 Ų | 85 | 59.1 Ų | 59.1 | 40% | 0.397 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 174.3 | -79.1 | 169 | -174.5 | 0 | 0 | 112.3 | K564 Y637 N639 S643 N644 | K564-E641 IonicContact NZ-OE1 3.24Å; K564-E641 PolarHBondContact NZ-OE1 3.23Å; K564-E641 IonicContact NZ-OE2 2.75Å; K564-E641 PolarHBondContact NZ-OE2 3.16Å; Y637-E641 PolarHBondContact O-N 2.84Å; N639-E641 VanDerWaalsContact C-N 3.33Å; E641-S643 VanDerWaalsContact C-N 3.26Å; E641-S643 PolarHBondContact O-N 3.48Å; E641-N644 PolarHBondContact O-N 3.31Å |
| 642 | K | 78.8 | Confident | 81.5 | Confident | 183 Ų | 183 | 57.8 Ų | 57.8 | 80% | 0.796 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62 | -33.1 | 177.7 | -83.9 | 179.4 | 178.8 | 174.4 | 0 | 113.6 | A638 N639 | A638-K642 WeakPolarHBondContact O-CB 3.26Å; A638-K642 WeakPolarHBondContact O-CG 3.42Å; A638-K642 PolarHBondContact O-N 3.35Å; A638-K642 VanDerWaalsContact O-N 3.08Å; N639-K642 PolarHBondContact O-N 3.06Å |
| 643 | S | 70.7 | Confident | 81.4 | Confident | 64 Ų | 64 | 60.5 Ų | 60.5 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -91.5 | -4.4 | -179.4 | 50.3 | 0 | 0 | 0 | 0 | 113.4 | N639 A640 E641 S645 | N639-S643 WeakPolarHBondContact O-CB 3.35Å; N639-S643 PolarHBondContact O-N 3.37Å; N639-S643 PolarHBondContact O-OG 2.83Å; A640-S643 PolarHBondContact O-N 3.44Å; A640-S643 PolarHBondContact O-OG 3.09Å; E641-S643 VanDerWaalsContact C-N 3.26Å; E641-S643 PolarHBondContact O-N 3.48Å; S643-S645 PolarHBondContact O-N 3.43Å; S643-S645 VanDerWaalsContact O-N 3.12Å; S643-S645 PolarHBondContact OG-OG 2.73Å |
| 644 | N | 70.2 | Confident | 81.2 | Confident | 159 Ų | 159 | 68.9 Ų | 68.9 | 85% | 0.85 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 30.1 | -175.6 | -128.2 | 19.4 | 0 | 0 | 0 | 113.1 | A640 E641 | A640-N644 PolarHBondContact O-N 3.12Å; E641-N644 PolarHBondContact O-N 3.31Å |
| 645 | S | 67.6 | Low | 81 | Confident | 47 Ų | 47 | 69.8 Ų | 69.8 | 33% | 0.329 | 35% | 0.353 | S | S | . | . | trans | -107.8 | 138 | -177.4 | 65.6 | 0 | 0 | 0 | 0 | 110.7 | A640 S643 | A640-S645 PolarHBondContact O-N 3.25Å; S643-S645 PolarHBondContact O-N 3.43Å; S643-S645 VanDerWaalsContact O-N 3.12Å; S643-S645 PolarHBondContact OG-OG 2.73Å | ||
| 646 | E | 68.7 | Low | 81.1 | Confident | 182 Ų | 182 | 66.3 Ų | 66.3 | 85% | 0.85 | 34% | 0.337 | S | S | * | . | trans | -57.3 | 147.2 | 170.3 | -78.8 | -174.4 | 158.7 | 0 | 0 | 111.3 | S648 | E646-S648 VanDerWaalsContact C-N 3.28Å; E646-S648 PolarHBondContact O-N 3.04Å | ||
| 647 | L | 78.9 | Confident | 81 | Confident | 14 Ų | 14 | 69.9 Ų | 69.9 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | trans | -64.9 | 87.1 | 178.1 | -113.7 | 145.5 | 0 | 0 | 0 | 109.6 | L595 I636 Y637 A640 I652 | L595-L647 HydrophobicContact CD1-CD2 4.11Å; I636-L647 HydrophobicContact CG2-CD2 3.69Å; I636-L647 HydrophobicContact CG2-CG 4.48Å; Y637-L647 HydrophobicContact CD1-CD1 3.81Å; Y637-L647 HydrophobicContact CE1-CD1 3.94Å; A640-L647 HydrophobicContact CB-CG 4.4Å; L647-I652 HydrophobicContact CD2-CD1 3.68Å; L647-I652 HydrophobicContact CD2-CG1 3.85Å | ||
| 648 | S | 81.4 | Confident | 80.8 | Confident | 53 Ų | 53 | 78.5 Ų | 78.5 | 37% | 0.371 | 39% | 0.391 | S | S | . | . | trans | -91.6 | 148 | 179.1 | 65.3 | 0 | 0 | 0 | 0 | 111.4 | E646 D650 L651 I652 | E646-S648 VanDerWaalsContact C-N 3.28Å; E646-S648 PolarHBondContact O-N 3.04Å; S648-D650 PolarHBondContact O-N 3.36Å; S648-L651 PolarHBondContact O-N 3.4Å; S648-L651 VanDerWaalsContact O-N 3.15Å; S648-L651 WeakPolarHBondContact OG-CB 3.38Å; S648-L651 PolarHBondContact OG-N 3.42Å; S648-I652 WeakPolarHBondContact O-CG1 3.32Å; S648-I652 PolarHBondContact O-N 3.37Å; S648-I652 VanDerWaalsContact O-N 3.16Å | ||
| 649 | I | 82.6 | Confident | 80.7 | Confident | 68 Ų | 68 | 79.5 Ų | 79.5 | 35% | 0.349 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.3 | -37.6 | 177.7 | -60.1 | 172.7 | 0 | 0 | 0 | 110.7 | T591 I594 I652 K653 F669 | T591-I649 HydrophobicContact CG2-CG1 4.24Å; I594-I649 HydrophobicContact CD1-CB 4.46Å; I594-I649 HydrophobicContact CD1-CD1 3.77Å; I594-I649 HydrophobicContact CD1-CG1 3.94Å; I594-I649 HydrophobicContact CD1-CG2 3.69Å; I649-I652 PolarHBondContact O-N 3.39Å; I649-K653 VanDerWaalsContact O-CB 3.31Å; I649-K653 WeakPolarHBondContact O-CB 3.47Å; I649-K653 PolarHBondContact O-N 3.39Å; I649-F669 HydrophobicContact CG2-CD1 4.06Å; I649-F669 HydrophobicContact CG2-CE1 4.4Å |
| 650 | D | 82.5 | Confident | 80.7 | Confident | 106 Ų | 106 | 77.2 Ų | 77.2 | 57% | 0.567 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 177.5 | -87.8 | -12.1 | 0 | 0 | 0 | 113.4 | S648 I652 K653 R654 | S648-D650 PolarHBondContact O-N 3.36Å; D650-I652 VanDerWaalsContact C-N 3.34Å; D650-K653 PolarHBondContact O-N 2.87Å; D650-R654 WeakPolarHBondContact O-CG 3.43Å; D650-R654 PolarHBondContact O-N 2.67Å |
| 651 | L | 83.5 | Confident | 80.6 | Confident | 53 Ų | 53 | 82 Ų | 82 | 28% | 0.277 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 176.4 | -176.5 | 81.9 | 0 | 0 | 0 | 110.1 | A640 S648 K655 | A640-L651 HydrophobicContact CB-CD2 4.5Å; S648-L651 PolarHBondContact O-N 3.4Å; S648-L651 VanDerWaalsContact O-N 3.15Å; S648-L651 WeakPolarHBondContact OG-CB 3.38Å; S648-L651 PolarHBondContact OG-N 3.42Å; L651-K655 PolarHBondContact O-N 3.09Å |
| 652 | I | 87.9 | Confident | 80.6 | Confident | 1 Ų | 1 | 84.4 Ų | 84.4 | 1% | 0.005 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 179.8 | -61.4 | 164 | 0 | 0 | 0 | 109.9 | T591 L595 I598 I636 L647 S648 I649 D650 K655 F656 F669 | T591-I652 HydrophobicContact CG2-CD1 3.5Å; T591-I652 VanDerWaalsContact CG2-CD1 3.5Å; L595-I652 HydrophobicContact CD1-CD1 4.42Å; L595-I652 HydrophobicContact CD2-CD1 3.81Å; L595-I652 HydrophobicContact CD2-CG1 4.17Å; L595-I652 HydrophobicContact CD2-CG2 4.03Å; L595-I652 HydrophobicContact CG-CD1 3.98Å; I598-I652 HydrophobicContact CD1-CG2 3.29Å; I636-I652 HydrophobicContact CD1-CG1 4.42Å; I636-I652 HydrophobicContact CD1-CG2 4.17Å; L647-I652 HydrophobicContact CD2-CD1 3.68Å; L647-I652 HydrophobicContact CD2-CG1 3.85Å; S648-I652 WeakPolarHBondContact O-CG1 3.32Å; S648-I652 PolarHBondContact O-N 3.37Å; S648-I652 VanDerWaalsContact O-N 3.16Å; I649-I652 PolarHBondContact O-N 3.39Å; D650-I652 VanDerWaalsContact C-N 3.34Å; I652-K655 PolarHBondContact O-N 2.82Å; I652-F656 VanDerWaalsContact O-CB 3.31Å; I652-F656 WeakPolarHBondContact O-CB 3.43Å; I652-F656 PolarHBondContact O-N 3.43Å; I652-F669 HydrophobicContact CG2-CE1 4.21Å; I652-F669 HydrophobicContact CG2-CZ 4.27Å |
| 653 | K | 88.5 | Confident | 80.5 | Confident | 58 Ų | 58 | 76.4 Ų | 76.4 | 25% | 0.252 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.5 | -50.3 | -178.6 | -171.2 | 167.9 | 178.6 | 169.7 | 0 | 112.2 | I649 D650 K655 F656 E657 F669 | I649-K653 VanDerWaalsContact O-CB 3.31Å; I649-K653 WeakPolarHBondContact O-CB 3.47Å; I649-K653 PolarHBondContact O-N 3.39Å; D650-K653 PolarHBondContact O-N 2.87Å; K653-K655 VanDerWaalsContact C-N 3.28Å; K653-K655 PolarHBondContact O-N 3.31Å; K653-F656 PolarHBondContact O-N 3.01Å; K653-E657 WeakPolarHBondContact CE-OE1 3.45Å; K653-E657 HydrophobicContact CG-CG 4.37Å; K653-E657 WeakPolarHBondContact CG-OE1 3.08Å; K653-E657 WeakPolarHBondContact O-CB 3.4Å; K653-E657 WeakPolarHBondContact O-CG 3.25Å; K653-E657 PolarHBondContact O-N 3.05Å; K653-F669 VanDerWaalsContact CA-CZ 3.47Å; K653-F669 HydrophobicContact CB-CD1 4.06Å; K653-F669 HydrophobicContact CB-CE1 3.58Å; K653-F669 HydrophobicContact CB-CE2 4.44Å; K653-F669 HydrophobicContact CB-CZ 3.81Å; K653-F669 HydrophobicContact CD-CD1 4.16Å; K653-F669 HydrophobicContact CD-CD2 4.44Å; K653-F669 HydrophobicContact CD-CE1 4.49Å; K653-F669 HydrophobicContact CD-CG 4.14Å; K653-F669 HydrophobicContact CG-CD1 4.19Å; K653-F669 HydrophobicContact CG-CD2 4.28Å; K653-F669 HydrophobicContact CG-CE1 4.03Å; K653-F669 HydrophobicContact CG-CE2 4.14Å; K653-F669 HydrophobicContact CG-CG 4.32Å; K653-F669 HydrophobicContact CG-CZ 4.01Å |
| 654 | R | 86.5 | Confident | 81 | Confident | 179 Ų | 179 | 78.4 Ų | 78.4 | 68% | 0.675 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -58.3 | -40.3 | 177.2 | -75.3 | -176.8 | -157.2 | 157.5 | 10.3 | 112.7 | D650 K658 | D650-R654 WeakPolarHBondContact O-CG 3.43Å; D650-R654 PolarHBondContact O-N 2.67Å; R654-K658 WeakPolarHBondContact O-CB 3.12Å; R654-K658 PolarHBondContact O-N 2.96Å |
| 655 | K | 84.1 | Confident | 81.4 | Confident | 31 Ų | 31 | 72.1 Ų | 72.1 | 14% | 0.135 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -72.3 | -41.6 | -178.2 | -136.7 | -170.4 | 172.1 | -165.2 | 0 | 111 | E635 I636 N639 L651 I652 K653 K658 L659 | E635-K655 VanDerWaalsContact CD-NZ 3.34Å; E635-K655 PolarHBondContact O-NZ 3.09Å; E635-K655 WeakPolarHBondContact OE1-CE 3.42Å; E635-K655 IonicContact OE1-NZ 3.5Å; E635-K655 PolarHBondContact OE1-NZ 3.14Å; I636-K655 HydrophobicContact CG1-CD 3.86Å; N639-K655 WeakPolarHBondContact ND2-CE 3.37Å; N639-K655 PolarHBondContact ND2-NZ 3.36Å; L651-K655 PolarHBondContact O-N 3.09Å; I652-K655 PolarHBondContact O-N 2.82Å; K653-K655 VanDerWaalsContact C-N 3.28Å; K653-K655 PolarHBondContact O-N 3.31Å; K655-K658 PolarHBondContact O-N 3.06Å; K655-L659 PolarHBondContact O-N 3.34Å |
| 656 | F | 88.1 | Confident | 82 | Confident | 1 Ų | 1 | 75.2 Ų | 75.2 | 0% | 0.004 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.6 | -52.6 | 176.6 | -179.1 | -96.4 | 0 | 0 | 0 | 111.7 | I598 Y601 F632 I652 K653 K658 L659 F660 A663 I668 F669 | I598-F656 HydrophobicContact CB-CD2 4.36Å; I598-F656 HydrophobicContact CB-CE2 4.42Å; I598-F656 HydrophobicContact CD1-CB 4.46Å; I598-F656 HydrophobicContact CD1-CD2 4.23Å; I598-F656 HydrophobicContact CD1-CG 4.39Å; I598-F656 HydrophobicContact CG1-CD2 3.96Å; I598-F656 HydrophobicContact CG1-CE2 4.21Å; I598-F656 HydrophobicContact CG1-CG 4.41Å; I598-F656 HydrophobicContact CG2-CD2 3.53Å; I598-F656 HydrophobicContact CG2-CE2 3.69Å; Y601-F656 AromaticContact CD1-CE2 3.71Å; Y601-F656 HydrophobicContact CD1-CE2 3.71Å; Y601-F656 AromaticContact CD1-CZ 3.54Å; Y601-F656 HydrophobicContact CD1-CZ 3.54Å; Y601-F656 HydrophobicContact CE1-CE2 4.07Å; Y601-F656 AromaticContact CE1-CZ 3.66Å; Y601-F656 HydrophobicContact CE1-CZ 3.66Å; Y601-F656 HydrophobicContact CG-CZ 4.22Å; F632-F656 HydrophobicContact CZ-CB 4.26Å; F632-F656 HydrophobicContact CZ-CD2 4.17Å; I652-F656 VanDerWaalsContact O-CB 3.31Å; I652-F656 WeakPolarHBondContact O-CB 3.43Å; I652-F656 PolarHBondContact O-N 3.43Å; K653-F656 PolarHBondContact O-N 3.01Å; F656-K658 PolarHBondContact O-N 3.47Å; F656-L659 PolarHBondContact O-N 2.95Å; F656-L659 VanDerWaalsContact O-N 3.07Å; F656-F660 AromaticContact CD2-CD2 3.84Å; F656-F660 HydrophobicContact CD2-CD2 3.84Å; F656-F660 HydrophobicContact CD2-CE2 4.48Å; F656-F660 HydrophobicContact CE1-CB 4.34Å; F656-F660 HydrophobicContact CE2-CB 4.27Å; F656-F660 AromaticContact CE2-CD2 3.67Å; F656-F660 HydrophobicContact CE2-CD2 3.67Å; F656-F660 HydrophobicContact CE2-CE2 4.31Å; F656-F660 HydrophobicContact CE2-CG 4.15Å; F656-F660 HydrophobicContact CZ-CB 4.06Å; F656-F660 HydrophobicContact CZ-CD2 4.3Å; F656-F660 HydrophobicContact CZ-CG 4.37Å; F656-F660 PolarHBondContact O-N 3.05Å; F656-A663 HydrophobicContact CE1-CB 3.65Å; F656-A663 HydrophobicContact CZ-CB 3.78Å; F656-I668 HydrophobicContact CE1-CD1 3.48Å; F656-I668 VanDerWaalsContact CE1-CD1 3.48Å; F656-I668 HydrophobicContact CE2-CD1 4.25Å; F656-I668 HydrophobicContact CZ-CD1 3.25Å; F656-F669 HydrophobicContact CB-CE2 4.37Å; F656-F669 HydrophobicContact CB-CZ 4.12Å; F656-F669 AromaticContact CD1-CE2 3.7Å; F656-F669 HydrophobicContact CD1-CE2 3.7Å; F656-F669 HydrophobicContact CD1-CZ 4.29Å; F656-F669 HydrophobicContact CE1-CE2 4.32Å; F656-F669 HydrophobicContact CG-CE2 4.16Å; F656-F669 HydrophobicContact CG-CZ 4.31Å |
| 657 | E | 87.3 | Confident | 82.7 | Confident | 77 Ų | 77 | 68.2 Ų | 68.2 | 36% | 0.36 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.7 | -32.2 | 178.8 | -72.1 | 172.9 | 173 | 0 | 0 | 112.5 | K653 P661 | K653-E657 WeakPolarHBondContact CE-OE1 3.45Å; K653-E657 HydrophobicContact CG-CG 4.37Å; K653-E657 WeakPolarHBondContact CG-OE1 3.08Å; K653-E657 WeakPolarHBondContact O-CB 3.4Å; K653-E657 WeakPolarHBondContact O-CG 3.25Å; K653-E657 PolarHBondContact O-N 3.05Å; E657-P661 WeakPolarHBondContact O-CA 3.42Å |
| 658 | K | 85.3 | Confident | 82.9 | Confident | 183 Ų | 183 | 67.6 Ų | 67.6 | 80% | 0.796 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -70.1 | -35.3 | 177.5 | -166.2 | -179.3 | -177 | -175.3 | 0 | 112.7 | R654 K655 F656 | R654-K658 WeakPolarHBondContact O-CB 3.12Å; R654-K658 PolarHBondContact O-N 2.96Å; K655-K658 PolarHBondContact O-N 3.06Å; F656-K658 PolarHBondContact O-N 3.47Å |
| 659 | L | 81.5 | Confident | 83.2 | Confident | 55 Ų | 55 | 66.2 Ų | 66.2 | 29% | 0.288 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -89.8 | -29.7 | -178 | -76.6 | 157 | 0 | 0 | 0 | 112.3 | F614 F632 K655 F656 P661 | F614-L659 HydrophobicContact CE1-CD1 4.26Å; F614-L659 HydrophobicContact CE1-CD2 4.27Å; F614-L659 HydrophobicContact CZ-CD1 3.97Å; F614-L659 HydrophobicContact CZ-CD2 4.23Å; F632-L659 HydrophobicContact CD2-CD1 4.09Å; F632-L659 HydrophobicContact CE2-CD1 3.87Å; K655-L659 PolarHBondContact O-N 3.34Å; F656-L659 PolarHBondContact O-N 2.95Å; F656-L659 VanDerWaalsContact O-N 3.07Å; L659-P661 VanDerWaalsContact C-CD 3.44Å; L659-P661 WeakPolarHBondContact O-CD 3.39Å |
| 660 | F | 82.9 | Confident | 83.2 | Confident | 17 Ų | 17 | 64.4 Ų | 64.4 | 8% | 0.075 | 33% | 0.329 | C | S | . | . | trans | -126.6 | 67.1 | -178.8 | -61.3 | -81.1 | 0 | 0 | 0 | 111.1 | Y601 I602 P613 F614 F656 T662 A663 | Y601-F660 HydrophobicContact CE1-CB 4.35Å; Y601-F660 HydrophobicContact CE1-CD1 4.01Å; Y601-F660 HydrophobicContact CE1-CG 4.14Å; I602-F660 HydrophobicContact CD1-CE2 3.66Å; I602-F660 HydrophobicContact CD1-CZ 3.93Å; I602-F660 HydrophobicContact CG1-CE1 4.46Å; I602-F660 HydrophobicContact CG1-CE2 3.78Å; I602-F660 HydrophobicContact CG1-CZ 3.68Å; I602-F660 HydrophobicContact CG2-CZ 4.31Å; P613-F660 HydrophobicContact CG-CE1 3.71Å; P613-F660 HydrophobicContact CG-CZ 3.78Å; F614-F660 HydrophobicContact CE2-CE2 4Å; F614-F660 AromaticContact CE2-CZ 3.77Å; F614-F660 HydrophobicContact CE2-CZ 3.77Å; F614-F660 HydrophobicContact CZ-CE2 4.36Å; F656-F660 AromaticContact CD2-CD2 3.84Å; F656-F660 HydrophobicContact CD2-CD2 3.84Å; F656-F660 HydrophobicContact CD2-CE2 4.48Å; F656-F660 HydrophobicContact CE1-CB 4.34Å; F656-F660 HydrophobicContact CE2-CB 4.27Å; F656-F660 AromaticContact CE2-CD2 3.67Å; F656-F660 HydrophobicContact CE2-CD2 3.67Å; F656-F660 HydrophobicContact CE2-CE2 4.31Å; F656-F660 HydrophobicContact CE2-CG 4.15Å; F656-F660 HydrophobicContact CZ-CB 4.06Å; F656-F660 HydrophobicContact CZ-CD2 4.3Å; F656-F660 HydrophobicContact CZ-CG 4.37Å; F656-F660 PolarHBondContact O-N 3.05Å; F660-T662 PolarHBondContact O-N 3.44Å; F660-T662 VanDerWaalsContact O-N 3.16Å; F660-A663 HydrophobicContact CB-CB 3.91Å; F660-A663 WeakPolarHBondContact O-CB 3.43Å; F660-A663 PolarHBondContact O-N 2.98Å; F660-A663 VanDerWaalsContact O-N 3.09Å | ||
| 661 | P | 78 | Confident | 82.8 | Confident | 107 Ų | 107 | 64.1 Ų | 64.1 | 70% | 0.695 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -17.1 | -174.8 | 26.1 | -34.3 | 0 | 0 | 0 | 114.1 | E657 L659 | E657-P661 WeakPolarHBondContact O-CA 3.42Å; L659-P661 VanDerWaalsContact C-CD 3.44Å; L659-P661 WeakPolarHBondContact O-CD 3.39Å |
| 662 | T | 77.8 | Confident | 82.2 | Confident | 134 Ų | 134 | 67.7 Ų | 67.7 | 82% | 0.822 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -5.7 | 176.8 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | F660 | F660-T662 PolarHBondContact O-N 3.44Å; F660-T662 VanDerWaalsContact O-N 3.16Å |
| 663 | A | 76.8 | Confident | 81.2 | Confident | 15 Ų | 15 | 70 Ų | 70 | 12% | 0.124 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -74.2 | 140.1 | -180 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y601 F656 F660 S665 | Y601-A663 HydrophobicContact CE1-CB 3.96Å; Y601-A663 HydrophobicContact CE2-CB 4.12Å; Y601-A663 VanDerWaalsContact OH-CB 3.27Å; Y601-A663 WeakPolarHBondContact OH-CB 3.4Å; F656-A663 HydrophobicContact CE1-CB 3.65Å; F656-A663 HydrophobicContact CZ-CB 3.78Å; F660-A663 HydrophobicContact CB-CB 3.91Å; F660-A663 WeakPolarHBondContact O-CB 3.43Å; F660-A663 PolarHBondContact O-N 2.98Å; F660-A663 VanDerWaalsContact O-N 3.09Å; A663-S665 PolarHBondContact O-N 3.43Å |
| 664 | D | 80.2 | Confident | 80.3 | Confident | 106 Ų | 106 | 69.7 Ų | 69.7 | 57% | 0.567 | 38% | 0.378 | S | S | * | . | trans | -72.8 | 94.8 | 170.7 | -165.2 | -14.5 | 0 | 0 | 0 | 109.3 | D666 D667 | D664-D666 PolarHBondContact O-N 3.14Å; D664-D666 PolarHBondContact OD1-N 3.26Å; D664-D667 HydrophobicContact CB-CB 4.47Å; D664-D667 PolarHBondContact O-N 3.42Å | ||
| 665 | S | 80.2 | Confident | 79.6 | Confident | 28 Ų | 28 | 66.7 Ų | 66.7 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.2 | -26.2 | -178.8 | 51.2 | 0 | 0 | 0 | 0 | 112.5 | A663 F669 | A663-S665 PolarHBondContact O-N 3.43Å; S665-F669 WeakPolarHBondContact O-CB 3.26Å; S665-F669 VanDerWaalsContact O-CD2 3.28Å; S665-F669 WeakPolarHBondContact O-CD2 3.38Å; S665-F669 PolarHBondContact O-N 3.14Å; S665-F669 VanDerWaalsContact O-N 3.1Å |
| 666 | D | 79.7 | Confident | 79.5 | Confident | 111 Ų | 111 | 65.6 Ų | 65.6 | 59% | 0.594 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -73.9 | -33.9 | -176.5 | -73.2 | -17.9 | 0 | 0 | 0 | 111.2 | D664 T670 | D664-D666 PolarHBondContact O-N 3.14Å; D664-D666 PolarHBondContact OD1-N 3.26Å; D666-T670 WeakPolarHBondContact O-CA 3.41Å; D666-T670 WeakPolarHBondContact O-CG2 3.22Å; D666-T670 PolarHBondContact O-N 3.2Å; D666-T670 VanDerWaalsContact O-N 3.1Å |
| 667 | D | 82.7 | Confident | 79.2 | Confident | 36 Ų | 36 | 72 Ų | 72 | 19% | 0.193 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.3 | -46.7 | 176 | -171.3 | 11.9 | 0 | 0 | 0 | 111.9 | D664 T670 S676 | D664-D667 HydrophobicContact CB-CB 4.47Å; D664-D667 PolarHBondContact O-N 3.42Å; D667-T670 PolarHBondContact O-N 2.74Å; D667-T670 PolarHBondContact O-OG1 2.88Å; D667-S676 PolarHBondContact O-OG 2.93Å; D667-S676 WeakPolarHBondContact OD1-CA 3.28Å; D667-S676 PolarHBondContact OD1-OG 3.27Å; D667-S676 VanDerWaalsContact OD1-OG 3.12Å |
| 668 | I | 84.2 | Confident | 79.1 | Confident | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69.7 | -42.9 | -177.1 | -62.2 | 170.1 | 0 | 0 | 0 | 111.6 | R597 I598 Y601 F656 T670 Y678 | R597-I668 HydrophobicContact CB-CG2 4.08Å; R597-I668 WeakPolarHBondContact CD-O 3.48Å; R597-I668 PolarHBondContact NH1-O 3.37Å; I598-I668 HydrophobicContact CG1-CG2 3.64Å; Y601-I668 HydrophobicContact CD1-CD1 4.15Å; Y601-I668 HydrophobicContact CD2-CD1 3.73Å; Y601-I668 HydrophobicContact CE2-CD1 4.28Å; Y601-I668 HydrophobicContact CG-CD1 3.67Å; F656-I668 HydrophobicContact CE1-CD1 3.48Å; F656-I668 VanDerWaalsContact CE1-CD1 3.48Å; F656-I668 HydrophobicContact CE2-CD1 4.25Å; F656-I668 HydrophobicContact CZ-CD1 3.25Å; I668-T670 VanDerWaalsContact C-N 3.32Å; I668-Y678 HydrophobicContact CG1-CD2 4.1Å; I668-Y678 HydrophobicContact CG1-CE2 4.01Å |
| 669 | F | 87 | Confident | 79.2 | Confident | 24 Ų | 24 | 62.4 Ų | 62.4 | 11% | 0.105 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 18.8 | -177.7 | -64.5 | -95.9 | 0 | 0 | 0 | 112.6 | I594 I598 I649 I652 K653 F656 S665 | I594-F669 HydrophobicContact CD1-CD1 4.31Å; I594-F669 HydrophobicContact CG2-CD1 3.53Å; I594-F669 HydrophobicContact CG2-CE1 3.39Å; I594-F669 HydrophobicContact CG2-CG 4.4Å; I594-F669 HydrophobicContact CG2-CZ 4.16Å; I598-F669 HydrophobicContact CD1-CE1 4.29Å; I598-F669 HydrophobicContact CD1-CE2 4.44Å; I598-F669 HydrophobicContact CD1-CZ 3.72Å; I598-F669 HydrophobicContact CG1-CZ 4.35Å; I649-F669 HydrophobicContact CG2-CD1 4.06Å; I649-F669 HydrophobicContact CG2-CE1 4.4Å; I652-F669 HydrophobicContact CG2-CE1 4.21Å; I652-F669 HydrophobicContact CG2-CZ 4.27Å; K653-F669 VanDerWaalsContact CA-CZ 3.47Å; K653-F669 HydrophobicContact CB-CD1 4.06Å; K653-F669 HydrophobicContact CB-CE1 3.58Å; K653-F669 HydrophobicContact CB-CE2 4.44Å; K653-F669 HydrophobicContact CB-CZ 3.81Å; K653-F669 HydrophobicContact CD-CD1 4.16Å; K653-F669 HydrophobicContact CD-CD2 4.44Å; K653-F669 HydrophobicContact CD-CE1 4.49Å; K653-F669 HydrophobicContact CD-CG 4.14Å; K653-F669 HydrophobicContact CG-CD1 4.19Å; K653-F669 HydrophobicContact CG-CD2 4.28Å; K653-F669 HydrophobicContact CG-CE1 4.03Å; K653-F669 HydrophobicContact CG-CE2 4.14Å; K653-F669 HydrophobicContact CG-CG 4.32Å; K653-F669 HydrophobicContact CG-CZ 4.01Å; F656-F669 HydrophobicContact CB-CE2 4.37Å; F656-F669 HydrophobicContact CB-CZ 4.12Å; F656-F669 AromaticContact CD1-CE2 3.7Å; F656-F669 HydrophobicContact CD1-CE2 3.7Å; F656-F669 HydrophobicContact CD1-CZ 4.29Å; F656-F669 HydrophobicContact CE1-CE2 4.32Å; F656-F669 HydrophobicContact CG-CE2 4.16Å; F656-F669 HydrophobicContact CG-CZ 4.31Å; S665-F669 WeakPolarHBondContact O-CB 3.26Å; S665-F669 VanDerWaalsContact O-CD2 3.28Å; S665-F669 WeakPolarHBondContact O-CD2 3.38Å; S665-F669 PolarHBondContact O-N 3.14Å; S665-F669 VanDerWaalsContact O-N 3.1Å |
| 670 | T | 83.1 | Confident | 79.6 | Confident | 30 Ų | 30 | 68.1 Ų | 68.1 | 18% | 0.184 | 39% | 0.385 | C | S | . | . | trans | -53.5 | 132.5 | 177.9 | 36.3 | 0 | 0 | 0 | 0 | 111.4 | R597 D666 D667 I668 E672 | R597-T670 PolarHBondContact NH1-O 2.98Å; R597-T670 PolarHBondContact NH1-OG1 3.1Å; D666-T670 WeakPolarHBondContact O-CA 3.41Å; D666-T670 WeakPolarHBondContact O-CG2 3.22Å; D666-T670 PolarHBondContact O-N 3.2Å; D666-T670 VanDerWaalsContact O-N 3.1Å; D667-T670 PolarHBondContact O-N 2.74Å; D667-T670 PolarHBondContact O-OG1 2.88Å; I668-T670 VanDerWaalsContact C-N 3.32Å; T670-E672 VanDerWaalsContact C-N 3.3Å; T670-E672 PolarHBondContact O-N 2.87Å | ||
| 671 | P | 73.8 | Confident | 79.8 | Confident | 100 Ų | 100 | 69.3 Ų | 69.3 | 65% | 0.649 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -73.9 | -21.8 | -180 | 27.1 | -32.2 | 0 | 0 | 0 | 113.3 | N589 | N589-P671 VanDerWaalsContact ND2-CA 3.29Å; N589-P671 WeakPolarHBondContact ND2-CA 3.26Å; N589-P671 PolarHBondContact ND2-O 3.31Å |
| 672 | E | 71.2 | Confident | 80.4 | Confident | 127 Ų | 127 | 64.2 Ų | 64.2 | 59% | 0.593 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -87.4 | 122.8 | 178.9 | -67.4 | -175.4 | 173 | 0 | 0 | 110.9 | R597 T670 N675 | R597-E672 PolarHBondContact NH2-O 3.46Å; T670-E672 VanDerWaalsContact C-N 3.3Å; T670-E672 PolarHBondContact O-N 2.87Å; E672-N675 PolarHBondContact OE2-ND2 2.91Å |
| 673 | S | 66.5 | Low | 81.1 | Confident | 51 Ų | 51 | 60.2 Ų | 60.2 | 36% | 0.357 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 130.7 | 175.2 | 48.5 | 0 | 0 | 0 | 0 | 111.9 | P586 K587 | P586-S673 WeakPolarHBondContact O-CB 3.18Å; K587-S673 PolarHBondContact O-OG 3.26Å |
| 674 | G | 68.6 | Low | 81.9 | Confident | 51 Ų | 51 | 61.5 Ų | 61.5 | 53% | 0.526 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | 0.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | D679 | G674-D679 WeakPolarHBondContact CA-OD2 3.41Å; G674-D679 PolarHBondContact N-OD2 3.28Å |
| 675 | N | 72.9 | Confident | 82.6 | Confident | 115 Ų | 115 | 56.5 Ų | 56.5 | 62% | 0.615 | 31% | 0.314 | S | S | * | . | trans | -101.3 | -4 | 179.2 | -96.1 | -12.8 | 0 | 0 | 0 | 114 | E672 | E672-N675 PolarHBondContact OE2-ND2 2.91Š| ||
| 676 | S | 81.9 | Confident | 83.1 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -88.6 | 141.5 | 178.7 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | D667 Y678 D679 | D667-S676 PolarHBondContact O-OG 2.93Å; D667-S676 WeakPolarHBondContact OD1-CA 3.28Å; D667-S676 PolarHBondContact OD1-OG 3.27Å; D667-S676 VanDerWaalsContact OD1-OG 3.12Å; S676-Y678 PolarHBondContact O-N 2.69Å; S676-Y678 WeakPolarHBondContact OG-CD2 3.26Å; S676-Y678 PolarHBondContact OG-N 3.29Å; S676-D679 PolarHBondContact N-OD2 2.91Å; S676-D679 WeakPolarHBondContact O-CB 3.49Å; S676-D679 PolarHBondContact O-N 2.82Å |
| 677 | D | 81.4 | Confident | 83.7 | Confident | 135 Ų | 135 | 57.2 Ų | 57.2 | 72% | 0.722 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.3 | 174.6 | -79.5 | -13.5 | 0 | 0 | 0 | 112.6 | ||
| 678 | Y | 86 | Confident | 84.2 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 21% | 0.208 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -3.5 | -178.9 | -52.5 | -69.2 | 0 | 0 | 0 | 114.1 | Y601 I668 S676 K680 | Y601-Y678 AromaticContact CD2-CE1 3.96Å; Y601-Y678 HydrophobicContact CD2-CE1 3.96Å; Y601-Y678 HydrophobicContact CD2-CE2 4.06Å; Y601-Y678 AromaticContact CD2-CZ 3.55Å; Y601-Y678 WeakPolarHBondContact CD2-OH 3.33Å; I668-Y678 HydrophobicContact CG1-CD2 4.1Å; I668-Y678 HydrophobicContact CG1-CE2 4.01Å; S676-Y678 PolarHBondContact O-N 2.69Å; S676-Y678 WeakPolarHBondContact OG-CD2 3.26Å; S676-Y678 PolarHBondContact OG-N 3.29Å; Y678-K680 PolarHBondContact O-N 3.4Å |
| 679 | D | 87.3 | Confident | 84.6 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -74.2 | -13 | -179.6 | -74.5 | -20.4 | 0 | 0 | 0 | 113 | R597 G674 S676 E681 V682 T683 | R597-D679 IonicContact CZ-OD1 3.71Å; R597-D679 IonicContact CZ-OD2 3.12Å; R597-D679 IonicContact NE-OD1 3.74Å; R597-D679 PolarHBondContact NE-OD1 3.11Å; R597-D679 IonicContact NE-OD2 2.79Å; R597-D679 IonicContact NH2-OD1 2.85Å; R597-D679 PolarHBondContact NH2-OD1 2.89Å; R597-D679 IonicContact NH2-OD2 3.79Å; R597-D679 PolarHBondContact NH2-OD2 3.46Å; G674-D679 WeakPolarHBondContact CA-OD2 3.41Å; G674-D679 PolarHBondContact N-OD2 3.28Å; S676-D679 PolarHBondContact N-OD2 2.91Å; S676-D679 WeakPolarHBondContact O-CB 3.49Å; S676-D679 PolarHBondContact O-N 2.82Å; D679-E681 PolarHBondContact O-N 3.07Å; D679-V682 PolarHBondContact O-N 3.09Å; D679-T683 VanDerWaalsContact O-CB 3.32Å; D679-T683 WeakPolarHBondContact O-CB 3.48Å; D679-T683 PolarHBondContact O-N 3.37Å; D679-T683 PolarHBondContact O-OG1 3.03Å |
| 680 | K | 89 | Confident | 84.7 | Confident | 176 Ų | 176 | 59 Ų | 59 | 77% | 0.765 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.8 | -42.7 | -174.2 | -159.5 | 177.9 | -173.9 | 177.3 | 0 | 113.1 | Y678 S684 | Y678-K680 PolarHBondContact O-N 3.4Å; K680-S684 PolarHBondContact O-N 3.46Å; K680-S684 PolarHBondContact O-OG 3Å |
| 681 | E | 88.1 | Confident | 85 | Confident | 41 Ų | 41 | 64 Ų | 64 | 19% | 0.192 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.5 | -51.4 | 179.8 | -172.8 | 176.5 | -175.4 | 0 | 0 | 110.7 | S508 S600 D679 T683 S684 H685 | S508-E681 VanDerWaalsContact CB-OE1 3.24Å; S508-E681 WeakPolarHBondContact CB-OE1 3.13Å; S508-E681 PolarHBondContact OG-OE1 3.36Å; S600-E681 WeakPolarHBondContact CB-OE2 3.39Å; S600-E681 PolarHBondContact OG-OE2 3.01Å; D679-E681 PolarHBondContact O-N 3.07Å; E681-T683 VanDerWaalsContact C-N 3.29Å; E681-T683 PolarHBondContact O-N 3.04Å; E681-S684 PolarHBondContact O-N 3.48Å; E681-S684 VanDerWaalsContact O-N 3.15Å; E681-S684 PolarHBondContact O-OG 3.3Å; E681-H685 PolarHBondContact O-N 3.44Å; E681-H685 IonicContact OE1-CE1 2.84Å |
| 682 | V | 90.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.6 | -41.1 | 176.7 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | V584 P586 L593 T596 D679 H685 H686 | V584-V682 HydrophobicContact CB-CG1 4.24Å; V584-V682 HydrophobicContact CG1-CG1 4.47Å; P586-V682 HydrophobicContact CB-CG1 4.09Å; L593-V682 HydrophobicContact CD1-CG1 4.06Å; T596-V682 HydrophobicContact CG2-CG2 3.57Å; D679-V682 PolarHBondContact O-N 3.09Å; V682-H685 PolarHBondContact O-N 2.7Å; V682-H686 WeakPolarHBondContact O-CB 3.35Å; V682-H686 PolarHBondContact O-N 3.5Å |
| 683 | T | 92 | Very high | 86.6 | Confident | 51 Ų | 51 | 53.4 Ų | 53.4 | 31% | 0.313 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 178.2 | -54 | 0 | 0 | 0 | 0 | 110.8 | D679 E681 H686 E687 | D679-T683 VanDerWaalsContact O-CB 3.32Å; D679-T683 WeakPolarHBondContact O-CB 3.48Å; D679-T683 PolarHBondContact O-N 3.37Å; D679-T683 PolarHBondContact O-OG1 3.03Å; E681-T683 VanDerWaalsContact C-N 3.29Å; E681-T683 PolarHBondContact O-N 3.04Å; T683-H686 PolarHBondContact O-N 2.81Å; T683-E687 WeakPolarHBondContact O-CG 3.49Å; T683-E687 PolarHBondContact O-N 2.9Å |
| 684 | S | 93.6 | Very high | 87.6 | Confident | 41 Ų | 41 | 51.1 Ų | 51.1 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 177 | 66.9 | 0 | 0 | 0 | 0 | 113.2 | P506 K680 E681 F688 | P506-S684 WeakPolarHBondContact CG-O 3.23Å; K680-S684 PolarHBondContact O-N 3.46Å; K680-S684 PolarHBondContact O-OG 3Å; E681-S684 PolarHBondContact O-N 3.48Å; E681-S684 VanDerWaalsContact O-N 3.15Å; E681-S684 PolarHBondContact O-OG 3.3Å; S684-F688 WeakPolarHBondContact O-CB 3.48Å; S684-F688 PolarHBondContact O-N 3.28Å |
| 685 | H | 94.5 | Very high | 88.4 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 172.1 | -69 | 173.4 | 0 | 0 | 0 | 111.2 | P506 I581 W582 E681 V682 E687 F688 L689 | P506-H685 PolarHBondContact O-CD2 3.09Å; P506-H685 PolarHBondContact O-NE2 2.82Å; I581-H685 HydrophobicContact CG2-CB 3.91Å; W582-H685 AromaticContact CD1-CE1 3.42Å; W582-H685 VanDerWaalsContact CD1-CE1 3.42Å; W582-H685 AromaticContact CD1-ND1 3.28Å; W582-H685 VanDerWaalsContact CD1-ND1 3.28Å; W582-H685 AromaticContact CG-ND1 3.72Å; W582-H685 PolarHBondContact N-ND1 2.91Å; E681-H685 PolarHBondContact O-N 3.44Å; E681-H685 IonicContact OE1-CE1 2.84Å; V682-H685 PolarHBondContact O-N 2.7Å; H685-E687 PolarHBondContact O-N 3.26Å; H685-F688 PolarHBondContact O-N 2.77Å; H685-L689 WeakPolarHBondContact O-CG 3.22Å; H685-L689 PolarHBondContact O-N 3.15Å |
| 686 | H | 92.2 | Very high | 88.7 | Confident | 29 Ų | 29 | 51.2 Ų | 51.2 | 13% | 0.134 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -44.8 | 179.4 | -169.6 | 73.7 | 0 | 0 | 0 | 112.2 | V584 P586 V682 T683 F688 L689 I690 | V584-H686 PolarHBondContact O-ND1 2.74Å; P586-H686 HydrophobicContact CG-CB 4.04Å; V682-H686 WeakPolarHBondContact O-CB 3.35Å; V682-H686 PolarHBondContact O-N 3.5Å; T683-H686 PolarHBondContact O-N 2.81Å; H686-F688 VanDerWaalsContact C-N 3.32Å; H686-F688 PolarHBondContact O-N 3.49Å; H686-L689 PolarHBondContact O-N 3.09Å; H686-I690 WeakPolarHBondContact O-CG1 3.4Å; H686-I690 PolarHBondContact O-N 2.71Å; H686-I690 VanDerWaalsContact O-N 3.09Å |
| 687 | E | 92 | Very high | 88.5 | Confident | 125 Ų | 125 | 51.5 Ų | 51.5 | 58% | 0.584 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.2 | -40.7 | 173.9 | -76 | -177.9 | 171.3 | 0 | 0 | 112.2 | T683 H685 I690 R691 | T683-E687 WeakPolarHBondContact O-CG 3.49Å; T683-E687 PolarHBondContact O-N 2.9Å; H685-E687 PolarHBondContact O-N 3.26Å; E687-I690 PolarHBondContact O-N 3.15Å; E687-R691 VanDerWaalsContact O-CB 3.29Å; E687-R691 WeakPolarHBondContact O-CB 3.5Å; E687-R691 PolarHBondContact O-N 2.89Å |
| 688 | F | 92.9 | Very high | 88.1 | Confident | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.035 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 175.3 | 176.4 | -100 | 0 | 0 | 0 | 112 | L500 L502 A505 P506 I581 S684 H685 H686 I690 R691 S692 L694 | L500-F688 HydrophobicContact CD2-CZ 4.07Å; L502-F688 HydrophobicContact CD2-CZ 4.39Å; A505-F688 HydrophobicContact CB-CD2 4.15Å; A505-F688 HydrophobicContact CB-CE1 4.1Å; A505-F688 HydrophobicContact CB-CE2 3.55Å; A505-F688 HydrophobicContact CB-CZ 3.52Å; P506-F688 HydrophobicContact CG-CB 3.74Å; P506-F688 HydrophobicContact CG-CG 4.28Å; I581-F688 HydrophobicContact CD1-CD1 3.8Å; I581-F688 HydrophobicContact CD1-CE1 3.65Å; S684-F688 WeakPolarHBondContact O-CB 3.48Å; S684-F688 PolarHBondContact O-N 3.28Å; H685-F688 PolarHBondContact O-N 2.77Å; H686-F688 VanDerWaalsContact C-N 3.32Å; H686-F688 PolarHBondContact O-N 3.49Å; F688-I690 VanDerWaalsContact C-N 3.28Å; F688-I690 PolarHBondContact O-N 2.67Å; F688-R691 PolarHBondContact O-N 3.27Å; F688-S692 WeakPolarHBondContact O-CB 3.39Å; F688-S692 PolarHBondContact O-N 3.46Å; F688-S692 PolarHBondContact O-OG 3.08Å; F688-L694 HydrophobicContact CE1-CD1 4.01Å |
| 689 | L | 91.8 | Very high | 87.5 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -37.7 | 177.5 | -69.5 | 170.9 | 0 | 0 | 0 | 112.1 | I551 I581 A583 H685 H686 S692 G693 L694 Q695 | I551-L689 HydrophobicContact CD1-CD2 4.29Å; I551-L689 HydrophobicContact CG1-CD2 4.49Å; I551-L689 HydrophobicContact CG2-CD2 3.84Å; I581-L689 HydrophobicContact CG2-CD1 4.46Å; I581-L689 HydrophobicContact CG2-CD2 4.17Å; I581-L689 HydrophobicContact CG2-CG 4.21Å; A583-L689 HydrophobicContact CB-CD1 4.34Å; H685-L689 WeakPolarHBondContact O-CG 3.22Å; H685-L689 PolarHBondContact O-N 3.15Å; H686-L689 PolarHBondContact O-N 3.09Å; L689-S692 PolarHBondContact O-OG 2.88Å; L689-G693 PolarHBondContact O-N 2.72Å; L689-L694 HydrophobicContact CD2-CB 3.96Å; L689-L694 HydrophobicContact CD2-CD1 4.26Å; L689-L694 PolarHBondContact O-N 3.23Å; L689-Q695 HydrophobicContact CB-CB 4.43Å; L689-Q695 PolarHBondContact O-N 3.47Å; L689-Q695 VanDerWaalsContact O-N 3.1Å |
| 690 | I | 88.7 | Confident | 87.2 | Confident | 79 Ų | 79 | 60 Ų | 60 | 41% | 0.405 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.5 | -54.2 | 173.4 | -66.3 | 159.5 | 0 | 0 | 0 | 110.7 | H686 E687 F688 S692 G693 R764 | H686-I690 WeakPolarHBondContact O-CG1 3.4Å; H686-I690 PolarHBondContact O-N 2.71Å; H686-I690 VanDerWaalsContact O-N 3.09Å; E687-I690 PolarHBondContact O-N 3.15Å; F688-I690 VanDerWaalsContact C-N 3.28Å; F688-I690 PolarHBondContact O-N 2.67Å; I690-S692 PolarHBondContact O-N 2.79Å; I690-G693 PolarHBondContact O-N 3.26Å; I690-R764 PolarHBondContact O-NH1 2.9Å |
| 691 | R | 89.7 | Confident | 87.3 | Confident | 134 Ų | 134 | 51.6 Ų | 51.6 | 51% | 0.506 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.2 | -46.4 | -175.7 | 169.2 | 173.6 | 66 | 165.1 | 0.3 | 112.4 | N504 E687 F688 G693 R764 | N504-R691 PolarHBondContact O-NH2 3.13Å; E687-R691 VanDerWaalsContact O-CB 3.29Å; E687-R691 WeakPolarHBondContact O-CB 3.5Å; E687-R691 PolarHBondContact O-N 2.89Å; F688-R691 PolarHBondContact O-N 3.27Å; R691-G693 PolarHBondContact O-N 3.09Å; R691-R764 PolarHBondContact O-NH1 2.87Å |
| 692 | S | 91.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -14.8 | 179.3 | 62.4 | 0 | 0 | 0 | 0 | 113.2 | F688 L689 I690 L694 R764 F765 | F688-S692 WeakPolarHBondContact O-CB 3.39Å; F688-S692 PolarHBondContact O-N 3.46Å; F688-S692 PolarHBondContact O-OG 3.08Å; L689-S692 PolarHBondContact O-OG 2.88Å; I690-S692 PolarHBondContact O-N 2.79Å; S692-L694 VanDerWaalsContact C-N 3.27Å; S692-L694 PolarHBondContact O-N 3.36Å; S692-L694 WeakPolarHBondContact OG-CD1 3.27Å; S692-L694 WeakPolarHBondContact OG-CG 3.17Å; S692-R764 CarbonylContact O-C 3.44Å; S692-F765 PolarHBondContact O-N 2.63Å |
| 693 | G | 87.7 | Confident | 87.6 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 80.1 | 1.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L689 I690 R691 Q695 S696 F765 | L689-G693 PolarHBondContact O-N 2.72Å; I690-G693 PolarHBondContact O-N 3.26Å; R691-G693 PolarHBondContact O-N 3.09Å; G693-Q695 PolarHBondContact O-N 3.09Å; G693-S696 WeakPolarHBondContact O-CB 3.41Å; G693-S696 PolarHBondContact O-N 2.93Å; G693-S696 VanDerWaalsContact O-N 3.17Å; G693-S696 PolarHBondContact O-OG 3.5Å; G693-F765 WeakPolarHBondContact CA-O 3.49Å |
| 694 | L | 89 | Confident | 87.6 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -62.9 | -27.7 | 178 | -70.7 | 167.8 | 0 | 0 | 0 | 113.3 | L500 I551 F688 L689 S692 S696 I697 L704 I709 | L500-L694 HydrophobicContact CD2-CD1 3.64Å; L500-L694 HydrophobicContact CD2-CD2 4.39Å; L500-L694 HydrophobicContact CD2-CG 4.12Å; I551-L694 HydrophobicContact CD1-CD1 3.59Å; I551-L694 HydrophobicContact CD1-CD2 4.42Å; I551-L694 HydrophobicContact CD1-CG 4.45Å; F688-L694 HydrophobicContact CE1-CD1 4.01Å; L689-L694 HydrophobicContact CD2-CB 3.96Å; L689-L694 HydrophobicContact CD2-CD1 4.26Å; L689-L694 PolarHBondContact O-N 3.23Å; S692-L694 VanDerWaalsContact C-N 3.27Å; S692-L694 PolarHBondContact O-N 3.36Å; S692-L694 WeakPolarHBondContact OG-CD1 3.27Å; S692-L694 WeakPolarHBondContact OG-CG 3.17Å; L694-S696 PolarHBondContact O-N 3.1Å; L694-I697 HydrophobicContact CD2-CD1 3.97Å; L694-I697 WeakPolarHBondContact O-CB 3.43Å; L694-I697 PolarHBondContact O-N 3.03Å; L694-L704 HydrophobicContact CD1-CD1 4.18Å; L694-I709 HydrophobicContact CD2-CD1 3.6Å; L694-I709 HydrophobicContact CD2-CG1 4.08Å; L694-I709 HydrophobicContact CD2-CG2 4.32Å |
| 695 | Q | 84.7 | Confident | 87.6 | Confident | 108 Ų | 108 | 45.5 Ų | 45.5 | 51% | 0.505 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -61.8 | -25 | 176.3 | -169 | -177.8 | 29.3 | 0 | 0 | 113.4 | L689 G693 I697 | L689-Q695 HydrophobicContact CB-CB 4.43Å; L689-Q695 PolarHBondContact O-N 3.47Å; L689-Q695 VanDerWaalsContact O-N 3.1Å; G693-Q695 PolarHBondContact O-N 3.09Å; Q695-I697 PolarHBondContact O-N 2.94Å |
| 696 | S | 78.1 | Confident | 87.4 | Confident | 60 Ų | 60 | 45.4 Ų | 45.4 | 42% | 0.42 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -65.3 | -19.6 | 176.6 | 66.4 | 0 | 0 | 0 | 0 | 112.8 | G693 L694 K698 V767 | G693-S696 WeakPolarHBondContact O-CB 3.41Å; G693-S696 PolarHBondContact O-N 2.93Å; G693-S696 VanDerWaalsContact O-N 3.17Å; G693-S696 PolarHBondContact O-OG 3.5Å; L694-S696 PolarHBondContact O-N 3.1Å; S696-K698 PolarHBondContact O-N 2.84Å; S696-V767 WeakPolarHBondContact OG-CG2 3.36Å |
| 697 | I | 78.4 | Confident | 87.2 | Confident | 16 Ų | 16 | 44 Ų | 44 | 8% | 0.082 | 21% | 0.207 | C | C | . | . | trans | -81.3 | 96.2 | 175.4 | -50.3 | 168.4 | 0 | 0 | 0 | 107.8 | I494 L694 Q695 K699 L702 I709 F765 V767 | I494-I697 HydrophobicContact CD1-CD1 4.34Å; I494-I697 HydrophobicContact CD1-CG2 4.16Å; L694-I697 HydrophobicContact CD2-CD1 3.97Å; L694-I697 WeakPolarHBondContact O-CB 3.43Å; L694-I697 PolarHBondContact O-N 3.03Å; Q695-I697 PolarHBondContact O-N 2.94Å; I697-K699 PolarHBondContact O-N 3.24Å; I697-K699 VanDerWaalsContact O-N 3.16Å; I697-L702 HydrophobicContact CB-CD1 4.2Å; I697-L702 HydrophobicContact CB-CD2 4.42Å; I697-L702 HydrophobicContact CD1-CD1 4.07Å; I697-L702 HydrophobicContact CD1-CD2 4.18Å; I697-L702 HydrophobicContact CG2-CD1 4.3Å; I697-L702 HydrophobicContact CG2-CD2 3.69Å; I697-I709 HydrophobicContact CD1-CG2 3.96Å; I697-F765 HydrophobicContact CD1-CD1 3.94Å; I697-F765 HydrophobicContact CD1-CE1 3.61Å; I697-F765 HydrophobicContact CG1-CD1 4.36Å; I697-F765 HydrophobicContact CG1-CE1 3.92Å; I697-V767 HydrophobicContact CG1-CG2 3.72Å | ||
| 698 | K | 72.3 | Confident | 87 | Confident | 186 Ų | 186 | 38.1 Ų | 38.1 | 81% | 0.809 | 18% | 0.179 | S | C | * | . | trans | -64.2 | -17.9 | -175 | -65.4 | -177 | 179.8 | 177.4 | 0 | 114.2 | S696 | S696-K698 PolarHBondContact O-N 2.84Š| ||
| 699 | K | 74.5 | Confident | 86.8 | Confident | 114 Ų | 114 | 37.7 Ų | 37.7 | 50% | 0.496 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -96.8 | 111 | -179.4 | -68.1 | -173.6 | -179.5 | -173.9 | 0 | 110.5 | I697 D713 | I697-K699 PolarHBondContact O-N 3.24Å; I697-K699 VanDerWaalsContact O-N 3.16Å; K699-D713 IonicContact NZ-OD1 3.7Å; K699-D713 IonicContact NZ-OD2 2.76Å; K699-D713 PolarHBondContact NZ-OD2 2.99Å |
| 700 | I | 81.5 | Confident | 86.7 | Confident | 71 Ų | 71 | 37.1 Ų | 37.1 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | trans | -106.9 | 144.2 | 168.8 | -65.5 | 158.5 | 0 | 0 | 0 | 106.3 | A583 | A583-I700 HydrophobicContact CB-CD1 3.64Å; A583-I700 HydrophobicContact CB-CG1 4.37Å; A583-I700 HydrophobicContact CB-CG2 4.23Å | ||
| 701 | P | 90 | Very high | 86.5 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | cis | -78.8 | 155.6 | 11.2 | 32.9 | -37.6 | 0 | 0 | 0 | 115.4 | I552 E558 M562 N712 | I552-P701 HydrophobicContact CG2-CB 3.82Å; E558-P701 HydrophobicContact CB-CG 3.92Å; M562-P701 HydrophobicContact SD-CB 3.69Å; M562-P701 HydrophobicContact SD-CG 3.73Å; P701-N712 PolarHBondContact O-N 2.75Å | ||
| 702 | L | 92.1 | Very high | 86.2 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 143.9 | 170.2 | -57.8 | 158 | 0 | 0 | 0 | 110.6 | I494 I551 I697 I709 L710 D711 | I494-L702 HydrophobicContact CD1-CD2 4.3Å; I551-L702 HydrophobicContact CB-CB 4.09Å; I551-L702 HydrophobicContact CD1-CB 4.22Å; I551-L702 HydrophobicContact CD1-CD1 4.29Å; I551-L702 HydrophobicContact CG2-CD1 4.42Å; I551-L702 PolarHBondContact N-O 3.2Å; I551-L702 PolarHBondContact O-N 3.5Å; I697-L702 HydrophobicContact CB-CD1 4.2Å; I697-L702 HydrophobicContact CB-CD2 4.42Å; I697-L702 HydrophobicContact CD1-CD1 4.07Å; I697-L702 HydrophobicContact CD1-CD2 4.18Å; I697-L702 HydrophobicContact CG2-CD1 4.3Å; I697-L702 HydrophobicContact CG2-CD2 3.69Å; L702-I709 HydrophobicContact CD2-CG2 4.3Å; L702-L710 WeakPolarHBondContact CA-O 3.2Å; L702-D711 HydrophobicContact CD2-CB 4.08Å |
| 703 | I | 92.5 | Very high | 85.5 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.2 | 169.3 | -63.8 | 171.7 | 0 | 0 | 0 | 109.1 | V548 L550 M562 L710 I715 F721 T724 | V548-I703 HydrophobicContact CG1-CG2 4.1Å; L550-I703 HydrophobicContact CD2-CG1 4.26Å; M562-I703 HydrophobicContact CE-CD1 3.71Å; M562-I703 HydrophobicContact CE-CG1 3.51Å; I703-L710 HydrophobicContact CB-CB 4.36Å; I703-L710 PolarHBondContact N-O 2.99Å; I703-L710 PolarHBondContact O-N 2.84Å; I703-I715 HydrophobicContact CB-CD1 4.3Å; I703-I715 HydrophobicContact CD1-CD1 3.43Å; I703-I715 VanDerWaalsContact CD1-CD1 3.43Å; I703-I715 HydrophobicContact CD1-CG1 3.63Å; I703-I715 HydrophobicContact CD1-CG2 4.43Å; I703-I715 HydrophobicContact CG1-CD1 3.62Å; I703-I715 HydrophobicContact CG1-CG1 4.26Å; I703-F721 HydrophobicContact CD1-CD2 3.49Å; I703-F721 VanDerWaalsContact CD1-CD2 3.49Å; I703-F721 HydrophobicContact CD1-CE2 3.72Å; I703-F721 HydrophobicContact CG1-CD2 4.42Å; I703-F721 HydrophobicContact CG1-CE2 4.31Å; I703-T724 HydrophobicContact CD1-CG2 4.26Å |
| 704 | L | 93 | Very high | 85 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 102.2 | 168.3 | -82.3 | 161.9 | 0 | 0 | 0 | 108.4 | L500 L502 I549 I551 L694 I708 I709 | L500-L704 HydrophobicContact CB-CD2 4.28Å; L500-L704 HydrophobicContact CD2-CD2 4.09Å; L502-L704 HydrophobicContact CD2-CD1 4.18Å; I549-L704 HydrophobicContact CB-CB 3.84Å; I549-L704 HydrophobicContact CB-CD1 4.35Å; I549-L704 HydrophobicContact CD1-CB 4.43Å; I549-L704 HydrophobicContact CG2-CB 4.45Å; I549-L704 HydrophobicContact CG2-CD1 4.1Å; I549-L704 PolarHBondContact N-O 3.01Å; I549-L704 PolarHBondContact O-N 3.29Å; I551-L704 HydrophobicContact CD1-CD1 3.47Å; I551-L704 VanDerWaalsContact CD1-CD1 3.47Å; I551-L704 HydrophobicContact CD1-CG 4.08Å; I551-L704 HydrophobicContact CG1-CD1 4.12Å; L694-L704 HydrophobicContact CD1-CD1 4.18Å; L704-I708 CarbonylContact C-O 3.58Å; L704-I708 VanDerWaalsContact CA-O 3.26Å; L704-I708 WeakPolarHBondContact CA-O 3.46Å; L704-I709 HydrophobicContact CD2-CG1 3.57Å |
| 705 | F | 92.1 | Very high | 84.8 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 105.6 | 174.7 | -170.8 | -85.9 | 0 | 0 | 0 | 109.4 | Y546 N547 V548 G707 I708 L728 E732 | Y546-F705 HydrophobicContact CD1-CZ 4.1Å; N547-F705 CarbonylContact O-C 3.51Å; N547-F705 WeakPolarHBondContact O-CA 3.01Å; V548-F705 HydrophobicContact CG2-CD2 3.77Å; V548-F705 HydrophobicContact CG2-CE2 4.01Å; F705-G707 PolarHBondContact O-N 2.64Å; F705-I708 PolarHBondContact N-O 3.43Å; F705-I708 VanDerWaalsContact O-CB 3.29Å; F705-I708 WeakPolarHBondContact O-CB 3.41Å; F705-I708 PolarHBondContact O-N 3.11Å; F705-L728 HydrophobicContact CB-CD1 3.81Å; F705-L728 HydrophobicContact CD1-CB 4.04Å; F705-L728 HydrophobicContact CD1-CD1 4.5Å; F705-L728 HydrophobicContact CD2-CB 3.73Å; F705-L728 HydrophobicContact CD2-CD1 3.85Å; F705-L728 HydrophobicContact CD2-CG 4.46Å; F705-L728 HydrophobicContact CE1-CB 4Å; F705-L728 HydrophobicContact CE2-CB 3.71Å; F705-L728 HydrophobicContact CG-CB 3.92Å; F705-L728 HydrophobicContact CG-CD1 3.8Å; F705-L728 HydrophobicContact CG-CG 4.44Å; F705-L728 HydrophobicContact CZ-CB 3.86Å; F705-E732 HydrophobicContact CE1-CB 3.9Å; F705-E732 HydrophobicContact CE1-CG 4.13Å; F705-E732 HydrophobicContact CZ-CB 4.26Å |
| 706 | N | 90.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 23.1 | -172 | -73.4 | -26.5 | 0 | 0 | 0 | 114.3 | V499 L545 N547 E732 Y755 | V499-N706 WeakPolarHBondContact CG1-O 3.34Å; L545-N706 PolarHBondContact O-ND2 3.22Å; L545-N706 PolarHBondContact O-OD1 3.36Å; N547-N706 WeakPolarHBondContact CB-OD1 3.4Å; N547-N706 PolarHBondContact N-OD1 3.2Å; N547-N706 PolarHBondContact ND2-OD1 3.5Å; N547-N706 PolarHBondContact O-N 3.15Å; N706-E732 PolarHBondContact ND2-OE2 2.66Å; N706-Y755 HydrophobicContact CB-CE2 4.03Å |
| 707 | G | 88.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | -7.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L500 F705 | L500-G707 PolarHBondContact N-O 2.86Å; F705-G707 PolarHBondContact O-N 2.64Å |
| 708 | I | 88.4 | Confident | 83.6 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 130.4 | 171.3 | -58.9 | 178.2 | 0 | 0 | 0 | 109 | P488 V499 L704 F705 | P488-I708 WeakPolarHBondContact O-CD1 3.34Å; V499-I708 HydrophobicContact CG2-CG1 4.02Å; L704-I708 CarbonylContact C-O 3.58Å; L704-I708 VanDerWaalsContact CA-O 3.26Å; L704-I708 WeakPolarHBondContact CA-O 3.46Å; F705-I708 PolarHBondContact N-O 3.43Å; F705-I708 VanDerWaalsContact O-CB 3.29Å; F705-I708 WeakPolarHBondContact O-CB 3.41Å; F705-I708 PolarHBondContact O-N 3.11Å |
| 709 | I | 89.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 121.4 | -170.7 | -56.8 | 164.1 | 0 | 0 | 0 | 110.4 | S493 I494 S495 L694 I697 L702 L704 F765 | S493-I709 CarbonylContact C-O 3.51Å; S493-I709 VanDerWaalsContact CA-O 3.31Å; S493-I709 WeakPolarHBondContact CA-O 3.42Å; S493-I709 VanDerWaalsContact CB-O 3.29Å; S493-I709 WeakPolarHBondContact CB-O 3.48Å; I494-I709 HydrophobicContact CD1-CG2 4.21Å; I494-I709 PolarHBondContact N-O 3.49Å; S495-I709 PolarHBondContact OG-N 3.28Å; S495-I709 VanDerWaalsContact OG-N 3.1Å; L694-I709 HydrophobicContact CD2-CD1 3.6Å; L694-I709 HydrophobicContact CD2-CG1 4.08Å; L694-I709 HydrophobicContact CD2-CG2 4.32Å; I697-I709 HydrophobicContact CD1-CG2 3.96Å; L702-I709 HydrophobicContact CD2-CG2 4.3Å; L704-I709 HydrophobicContact CD2-CG1 3.57Å; I709-F765 HydrophobicContact CD1-CB 3.92Å; I709-F765 HydrophobicContact CD1-CD1 3.93Å; I709-F765 HydrophobicContact CD1-CD2 3.57Å; I709-F765 HydrophobicContact CD1-CE1 4.32Å; I709-F765 HydrophobicContact CD1-CE2 4.06Å; I709-F765 HydrophobicContact CD1-CG 3.52Å; I709-F765 HydrophobicContact CD1-CZ 4.4Å |
| 710 | L | 88 | Confident | 83.9 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.3 | 172.1 | -68.9 | 133.8 | 0 | 0 | 0 | 110.1 | H492 L702 I703 I715 I718 T724 L728 | H492-L710 HydrophobicContact CB-CD2 4.12Å; L702-L710 WeakPolarHBondContact CA-O 3.2Å; I703-L710 HydrophobicContact CB-CB 4.36Å; I703-L710 PolarHBondContact N-O 2.99Å; I703-L710 PolarHBondContact O-N 2.84Å; L710-I715 HydrophobicContact CB-CG1 4.17Å; L710-I718 HydrophobicContact CD2-CD1 3.98Å; L710-T724 HydrophobicContact CD1-CG2 4.3Å; L710-L728 HydrophobicContact CD1-CD1 3.41Å; L710-L728 VanDerWaalsContact CD1-CD1 3.41Å |
| 711 | D | 86.1 | Confident | 84.3 | Confident | 17 Ų | 17 | 19.1 Ų | 19.1 | 9% | 0.091 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 169.6 | 166.1 | 52.7 | 4.2 | 0 | 0 | 0 | 111.7 | I494 L702 D713 G714 I715 K773 | I494-D711 HydrophobicContact CD1-CB 3.38Å; I494-D711 VanDerWaalsContact CD1-CG 3.46Å; I494-D711 HydrophobicContact CG1-CB 4.05Å; L702-D711 HydrophobicContact CD2-CB 4.08Å; D711-D713 PolarHBondContact O-N 2.86Å; D711-D713 VanDerWaalsContact O-N 3.17Å; D711-G714 PolarHBondContact O-N 2.78Å; D711-G714 PolarHBondContact OD1-N 3.04Å; D711-I715 WeakPolarHBondContact O-CD1 3.48Å; D711-I715 VanDerWaalsContact O-CG1 3.26Å; D711-I715 WeakPolarHBondContact O-CG1 3.31Å; D711-I715 PolarHBondContact O-N 2.98Å; D711-K773 IonicContact OD1-NZ 2.75Å |
| 712 | N | 82.6 | Confident | 84.2 | Confident | 24 Ų | 24 | 24.2 Ų | 24.2 | 13% | 0.128 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -50.3 | -37.6 | 173.5 | -160.6 | 14.7 | 0 | 0 | 0 | 112.7 | P701 I715 K716 | P701-N712 PolarHBondContact O-N 2.75Å; N712-I715 PolarHBondContact O-N 2.71Å; N712-K716 WeakPolarHBondContact O-CB 3.35Å; N712-K716 VanDerWaalsContact O-CG 3.26Å; N712-K716 WeakPolarHBondContact O-CG 3.22Å; N712-K716 PolarHBondContact O-N 3.39Å |
| 713 | D | 76.6 | Confident | 83.9 | Confident | 57 Ų | 57 | 28.2 Ų | 28.2 | 31% | 0.305 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -67.3 | -42.7 | 177.7 | -64.6 | -16.9 | 0 | 0 | 0 | 111.4 | K699 D711 K717 | K699-D713 IonicContact NZ-OD1 3.7Å; K699-D713 IonicContact NZ-OD2 2.76Å; K699-D713 PolarHBondContact NZ-OD2 2.99Å; D711-D713 PolarHBondContact O-N 2.86Å; D711-D713 VanDerWaalsContact O-N 3.17Å; D713-K717 WeakPolarHBondContact O-CG 3.46Å; D713-K717 PolarHBondContact O-N 3.42Å |
| 714 | G | 77.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.5 | -41.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D711 K717 I718 | D711-G714 PolarHBondContact O-N 2.78Å; D711-G714 PolarHBondContact OD1-N 3.04Å; G714-K717 PolarHBondContact O-N 3.05Å; G714-I718 WeakPolarHBondContact O-CG1 3.47Å; G714-I718 PolarHBondContact O-N 2.87Å |
| 715 | I | 83 | Confident | 83.6 | Confident | 7 Ų | 7 | 28.2 Ų | 28.2 | 4% | 0.036 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.9 | -46 | 177.9 | -63.2 | 161.4 | 0 | 0 | 0 | 110.6 | I703 L710 D711 N712 K717 I718 G719 G720 T724 | I703-I715 HydrophobicContact CB-CD1 4.3Å; I703-I715 HydrophobicContact CD1-CD1 3.43Å; I703-I715 VanDerWaalsContact CD1-CD1 3.43Å; I703-I715 HydrophobicContact CD1-CG1 3.63Å; I703-I715 HydrophobicContact CD1-CG2 4.43Å; I703-I715 HydrophobicContact CG1-CD1 3.62Å; I703-I715 HydrophobicContact CG1-CG1 4.26Å; L710-I715 HydrophobicContact CB-CG1 4.17Å; D711-I715 WeakPolarHBondContact O-CD1 3.48Å; D711-I715 VanDerWaalsContact O-CG1 3.26Å; D711-I715 WeakPolarHBondContact O-CG1 3.31Å; D711-I715 PolarHBondContact O-N 2.98Å; N712-I715 PolarHBondContact O-N 2.71Å; I715-K717 PolarHBondContact O-N 2.76Å; I715-I718 PolarHBondContact O-N 3.38Å; I715-G719 PolarHBondContact O-N 3.1Å; I715-G720 PolarHBondContact O-N 3.33Å; I715-T724 PolarHBondContact O-OG1 3.14Å |
| 716 | K | 74.7 | Confident | 83.4 | Confident | 89 Ų | 89 | 30.8 Ų | 30.8 | 39% | 0.387 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 177 | -74.6 | 176.3 | -179.4 | -173.2 | 0 | 112 | N712 I718 G719 | N712-K716 WeakPolarHBondContact O-CB 3.35Å; N712-K716 VanDerWaalsContact O-CG 3.26Å; N712-K716 WeakPolarHBondContact O-CG 3.22Å; N712-K716 PolarHBondContact O-N 3.39Å; K716-I718 PolarHBondContact O-N 2.89Å; K716-G719 PolarHBondContact O-N 3.38Å; K716-G719 VanDerWaalsContact O-N 3.11Å |
| 717 | K | 68.8 | Low | 83.1 | Confident | 107 Ų | 107 | 33.3 Ų | 33.3 | 47% | 0.465 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.7 | -27 | 179.9 | -77.2 | -175.4 | -176.8 | -157.4 | 0 | 113.9 | D713 G714 I715 E1330 | D713-K717 WeakPolarHBondContact O-CG 3.46Å; D713-K717 PolarHBondContact O-N 3.42Å; G714-K717 PolarHBondContact O-N 3.05Å; I715-K717 PolarHBondContact O-N 2.76Å; K717-E1330 IonicContact NZ-OE1 3.56Å |
| 718 | I | 72.9 | Confident | 83.1 | Confident | 28 Ų | 28 | 33.4 Ų | 33.4 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -83.4 | -20.3 | 177.9 | -61 | 164.9 | 0 | 0 | 0 | 112 | H492 L710 G714 I715 K716 T724 T727 | H492-I718 HydrophobicContact CB-CD1 3.94Å; H492-I718 HydrophobicContact CB-CG1 4.04Å; L710-I718 HydrophobicContact CD2-CD1 3.98Å; G714-I718 WeakPolarHBondContact O-CG1 3.47Å; G714-I718 PolarHBondContact O-N 2.87Å; I715-I718 PolarHBondContact O-N 3.38Å; K716-I718 PolarHBondContact O-N 2.89Å; I718-T724 HydrophobicContact CD1-CG2 3.96Å; I718-T727 HydrophobicContact CG2-CG2 4.3Å |
| 719 | G | 71.7 | Confident | 83.1 | Confident | 31 Ų | 31 | 33.4 Ų | 33.4 | 32% | 0.32 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 126.6 | 4.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | I715 K716 | I715-G719 PolarHBondContact O-N 3.1Å; K716-G719 PolarHBondContact O-N 3.38Å; K716-G719 VanDerWaalsContact O-N 3.11Å |
| 720 | G | 82.5 | Confident | 82.9 | Confident | 22 Ų | 22 | 36.1 Ų | 36.1 | 23% | 0.227 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 107.6 | -176.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I715 E722 T724 | I715-G720 PolarHBondContact O-N 3.33Å; G720-E722 PolarHBondContact O-N 3.06Å; G720-T724 WeakPolarHBondContact O-CB 3.39Å; G720-T724 PolarHBondContact O-N 3.15Å; G720-T724 PolarHBondContact O-OG1 3.06Å |
| 721 | F | 89.6 | Confident | 82.7 | Confident | 15 Ų | 15 | 39.3 Ų | 39.3 | 7% | 0.066 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.8 | -46.6 | -171 | 178.5 | -117.9 | 0 | 0 | 0 | 113.3 | L550 M562 L565 F569 F578 I703 T724 V725 | L550-F721 HydrophobicContact CD2-CE2 3.65Å; L550-F721 HydrophobicContact CD2-CZ 3.89Å; M562-F721 HydrophobicContact CB-CD1 4.42Å; M562-F721 HydrophobicContact CB-CG 4.44Å; M562-F721 HydrophobicContact CE-CD2 3.43Å; M562-F721 VanDerWaalsContact CE-CD2 3.43Å; M562-F721 HydrophobicContact CE-CE2 3.55Å; M562-F721 HydrophobicContact CE-CG 4.26Å; M562-F721 HydrophobicContact CE-CZ 4.45Å; M562-F721 HydrophobicContact CG-CB 4.18Å; M562-F721 HydrophobicContact CG-CD1 4.39Å; M562-F721 HydrophobicContact CG-CD2 4.09Å; M562-F721 HydrophobicContact CG-CG 3.97Å; L565-F721 HydrophobicContact CB-CD1 3.7Å; L565-F721 HydrophobicContact CB-CE1 3.93Å; L565-F721 HydrophobicContact CD1-CB 4.27Å; L565-F721 HydrophobicContact CD1-CD1 3.84Å; L565-F721 HydrophobicContact CG-CD1 4.44Å; F569-F721 HydrophobicContact CD2-CE1 4.37Å; F569-F721 HydrophobicContact CE2-CD1 4.48Å; F569-F721 HydrophobicContact CE2-CE1 4.15Å; F578-F721 HydrophobicContact CE1-CZ 4.07Å; I703-F721 HydrophobicContact CD1-CD2 3.49Å; I703-F721 VanDerWaalsContact CD1-CD2 3.49Å; I703-F721 HydrophobicContact CD1-CE2 3.72Å; I703-F721 HydrophobicContact CG1-CD2 4.42Å; I703-F721 HydrophobicContact CG1-CE2 4.31Å; F721-T724 WeakPolarHBondContact O-CB 3.49Å; F721-T724 PolarHBondContact O-N 3.21Å; F721-V725 HydrophobicContact CD2-CG2 4.25Å; F721-V725 HydrophobicContact CE2-CG2 3.87Å; F721-V725 HydrophobicContact CZ-CG2 4.07Å; F721-V725 WeakPolarHBondContact O-CG2 3.45Å; F721-V725 PolarHBondContact O-N 3.36Å |
| 722 | E | 88.1 | Confident | 82.8 | Confident | 106 Ų | 106 | 38.5 Ų | 38.5 | 50% | 0.495 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.3 | -52.8 | -177.1 | -158 | -177.9 | 170.9 | 0 | 0 | 111.3 | F569 G720 T724 V725 V726 | F569-E722 HydrophobicContact CE1-CG 4.31Å; F569-E722 HydrophobicContact CE2-CG 4.12Å; F569-E722 HydrophobicContact CZ-CB 4.36Å; F569-E722 HydrophobicContact CZ-CG 3.5Å; G720-E722 PolarHBondContact O-N 3.06Å; E722-T724 VanDerWaalsContact C-N 3.25Å; E722-T724 PolarHBondContact O-N 3.47Å; E722-V725 PolarHBondContact O-N 2.89Å; E722-V725 VanDerWaalsContact O-N 3.17Å; E722-V726 WeakPolarHBondContact O-CG2 3.35Å; E722-V726 PolarHBondContact O-N 3.4Å |
| 723 | D | 84.7 | Confident | 83 | Confident | 86 Ų | 86 | 38 Ų | 38 | 46% | 0.46 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.1 | -36.2 | 176.8 | -76 | -21.6 | 0 | 0 | 0 | 111.9 | T727 | D723-T727 WeakPolarHBondContact O-CB 3.27Å; D723-T727 PolarHBondContact O-N 2.83Å; D723-T727 PolarHBondContact O-OG1 3.24Å |
| 724 | T | 88.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.1 | -51.4 | 174.7 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | I703 L710 I715 I718 G720 F721 E722 V726 L728 | I703-T724 HydrophobicContact CD1-CG2 4.26Å; L710-T724 HydrophobicContact CD1-CG2 4.3Å; I715-T724 PolarHBondContact O-OG1 3.14Å; I718-T724 HydrophobicContact CD1-CG2 3.96Å; G720-T724 WeakPolarHBondContact O-CB 3.39Å; G720-T724 PolarHBondContact O-N 3.15Å; G720-T724 PolarHBondContact O-OG1 3.06Å; F721-T724 WeakPolarHBondContact O-CB 3.49Å; F721-T724 PolarHBondContact O-N 3.21Å; E722-T724 VanDerWaalsContact C-N 3.25Å; E722-T724 PolarHBondContact O-N 3.47Å; T724-V726 VanDerWaalsContact C-N 3.34Å; T724-V726 PolarHBondContact O-N 3.04Å; T724-L728 HydrophobicContact CG2-CD1 3.54Å; T724-L728 HydrophobicContact CG2-CG 4.26Å; T724-L728 VanDerWaalsContact O-CB 3.31Å; T724-L728 WeakPolarHBondContact O-CB 3.39Å; T724-L728 WeakPolarHBondContact O-CD1 3.47Å; T724-L728 WeakPolarHBondContact O-CG 2.91Å; T724-L728 PolarHBondContact O-N 3.27Å |
| 725 | V | 90.8 | Very high | 83.6 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.9 | -43.5 | -179.5 | 173.4 | 0 | 0 | 0 | 0 | 111 | V548 F569 V576 F578 F721 E722 S729 | V548-V725 HydrophobicContact CG1-CG2 4.38Å; V548-V725 HydrophobicContact CG2-CG1 4.27Å; V548-V725 HydrophobicContact CG2-CG2 4.29Å; F569-V725 HydrophobicContact CZ-CB 4.33Å; F569-V725 HydrophobicContact CZ-CG1 4.35Å; V576-V725 HydrophobicContact CG1-CG1 4.31Å; V576-V725 HydrophobicContact CG2-CG1 4.19Å; F578-V725 HydrophobicContact CZ-CG1 4.43Å; F721-V725 HydrophobicContact CD2-CG2 4.25Å; F721-V725 HydrophobicContact CE2-CG2 3.87Å; F721-V725 HydrophobicContact CZ-CG2 4.07Å; F721-V725 WeakPolarHBondContact O-CG2 3.45Å; F721-V725 PolarHBondContact O-N 3.36Å; E722-V725 PolarHBondContact O-N 2.89Å; E722-V725 VanDerWaalsContact O-N 3.17Å; V725-S729 VanDerWaalsContact O-CB 3.25Å; V725-S729 WeakPolarHBondContact O-CB 3.42Å; V725-S729 PolarHBondContact O-N 2.74Å; V725-S729 VanDerWaalsContact O-N 3.11Å; V725-S729 PolarHBondContact O-OG 3.05Å |
| 726 | V | 88.5 | Confident | 83.9 | Confident | 55 Ų | 55 | 41.3 Ų | 41.3 | 33% | 0.333 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.7 | -49.1 | -178.9 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | E722 T724 S729 M730 | E722-V726 WeakPolarHBondContact O-CG2 3.35Å; E722-V726 PolarHBondContact O-N 3.4Å; T724-V726 VanDerWaalsContact C-N 3.34Å; T724-V726 PolarHBondContact O-N 3.04Å; V726-S729 PolarHBondContact O-N 3.4Å; V726-M730 WeakPolarHBondContact O-CG 3.4Å; V726-M730 PolarHBondContact O-N 3.3Å |
| 727 | T | 84.1 | Confident | 84.5 | Confident | 54 Ų | 54 | 38.6 Ų | 38.6 | 33% | 0.331 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.1 | -48.2 | -177.5 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | I718 D723 S729 M730 E731 | I718-T727 HydrophobicContact CG2-CG2 4.3Å; D723-T727 WeakPolarHBondContact O-CB 3.27Å; D723-T727 PolarHBondContact O-N 2.83Å; D723-T727 PolarHBondContact O-OG1 3.24Å; T727-S729 VanDerWaalsContact C-N 3.31Å; T727-S729 PolarHBondContact O-N 3.28Å; T727-M730 PolarHBondContact O-N 3.19Å; T727-E731 WeakPolarHBondContact O-CG 3.19Å; T727-E731 PolarHBondContact O-N 2.91Å |
| 728 | L | 87.8 | Confident | 85.2 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 178.3 | -66.4 | 174.6 | 0 | 0 | 0 | 112.1 | F705 L710 T724 M730 E731 E732 | F705-L728 HydrophobicContact CB-CD1 3.81Å; F705-L728 HydrophobicContact CD1-CB 4.04Å; F705-L728 HydrophobicContact CD1-CD1 4.5Å; F705-L728 HydrophobicContact CD2-CB 3.73Å; F705-L728 HydrophobicContact CD2-CD1 3.85Å; F705-L728 HydrophobicContact CD2-CG 4.46Å; F705-L728 HydrophobicContact CE1-CB 4Å; F705-L728 HydrophobicContact CE2-CB 3.71Å; F705-L728 HydrophobicContact CG-CB 3.92Å; F705-L728 HydrophobicContact CG-CD1 3.8Å; F705-L728 HydrophobicContact CG-CG 4.44Å; F705-L728 HydrophobicContact CZ-CB 3.86Å; L710-L728 HydrophobicContact CD1-CD1 3.41Å; L710-L728 VanDerWaalsContact CD1-CD1 3.41Å; T724-L728 HydrophobicContact CG2-CD1 3.54Å; T724-L728 HydrophobicContact CG2-CG 4.26Å; T724-L728 VanDerWaalsContact O-CB 3.31Å; T724-L728 WeakPolarHBondContact O-CB 3.39Å; T724-L728 WeakPolarHBondContact O-CD1 3.47Å; T724-L728 WeakPolarHBondContact O-CG 2.91Å; T724-L728 PolarHBondContact O-N 3.27Å; L728-M730 VanDerWaalsContact C-N 3.33Å; L728-M730 PolarHBondContact O-N 3.13Å; L728-E731 PolarHBondContact O-N 3.18Å; L728-E732 VanDerWaalsContact O-CB 3.29Å; L728-E732 WeakPolarHBondContact O-CB 3.24Å; L728-E732 PolarHBondContact O-N 3.01Å |
| 729 | S | 89.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.6 | -34.7 | 177.5 | -58 | 0 | 0 | 0 | 0 | 112.4 | L538 Y546 V725 V726 T727 L733 | L538-S729 VanDerWaalsContact CD2-CB 3.41Å; Y546-S729 WeakPolarHBondContact CE1-O 3.47Å; V725-S729 VanDerWaalsContact O-CB 3.25Å; V725-S729 WeakPolarHBondContact O-CB 3.42Å; V725-S729 PolarHBondContact O-N 2.74Å; V725-S729 VanDerWaalsContact O-N 3.11Å; V725-S729 PolarHBondContact O-OG 3.05Å; V726-S729 PolarHBondContact O-N 3.4Å; T727-S729 VanDerWaalsContact C-N 3.31Å; T727-S729 PolarHBondContact O-N 3.28Å; S729-L733 WeakPolarHBondContact O-CB 3.5Å; S729-L733 PolarHBondContact O-N 3.23Å |
| 730 | M | 85.3 | Confident | 86.7 | Confident | 58 Ų | 58 | 33.4 Ų | 33.4 | 29% | 0.286 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -70.6 | -42.4 | 174.9 | -73 | -63.7 | 176.8 | 0 | 0 | 112.5 | G536 L538 V726 T727 L728 L733 M734 | G536-M730 WeakPolarHBondContact O-CE 3.37Å; L538-M730 HydrophobicContact CD2-CE 3.76Å; L538-M730 HydrophobicContact CD2-CG 4.25Å; L538-M730 HydrophobicContact CD2-SD 3.92Å; L538-M730 HydrophobicContact CG-CE 3.93Å; V726-M730 WeakPolarHBondContact O-CG 3.4Å; V726-M730 PolarHBondContact O-N 3.3Å; T727-M730 PolarHBondContact O-N 3.19Å; L728-M730 VanDerWaalsContact C-N 3.33Å; L728-M730 PolarHBondContact O-N 3.13Å; M730-L733 WeakPolarHBondContact O-CB 3.25Å; M730-L733 PolarHBondContact O-N 3.27Å; M730-L733 HydrophobicContact SD-CD2 4.45Å; M730-M734 PolarHBondContact O-N 3.42Å |
| 731 | E | 83.9 | Confident | 86.9 | Confident | 67 Ų | 67 | 40.7 Ų | 40.7 | 31% | 0.313 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 174 | -71.2 | -178.8 | 165.7 | 0 | 0 | 111.1 | P488 G489 T727 L728 L733 M734 H735 | P488-E731 WeakPolarHBondContact CA-OE2 3.47Å; P488-E731 HydrophobicContact CB-CB 3.69Å; P488-E731 HydrophobicContact CG-CB 4.2Å; G489-E731 PolarHBondContact N-OE2 2.87Å; T727-E731 WeakPolarHBondContact O-CG 3.19Å; T727-E731 PolarHBondContact O-N 2.91Å; L728-E731 PolarHBondContact O-N 3.18Å; E731-L733 VanDerWaalsContact C-N 3.34Å; E731-L733 PolarHBondContact O-N 3.37Å; E731-M734 PolarHBondContact O-N 2.8Å; E731-H735 PolarHBondContact O-N 2.81Å; E731-H735 VanDerWaalsContact O-N 3.13Å |
| 732 | E | 87.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -35.9 | 176.8 | -171.3 | 80.4 | -125.2 | 0 | 0 | 112.2 | P488 Y546 F705 N706 L728 M734 H735 V736 Y755 | P488-E732 HydrophobicContact CB-CB 4.14Å; P488-E732 HydrophobicContact CG-CB 3.62Å; P488-E732 HydrophobicContact CG-CG 4.23Å; P488-E732 VanDerWaalsContact CG-N 3.32Å; Y546-E732 HydrophobicContact CD1-CB 3.99Å; Y546-E732 HydrophobicContact CD1-CG 3.85Å; Y546-E732 HydrophobicContact CE1-CB 3.85Å; Y546-E732 HydrophobicContact CE1-CG 3.85Å; F705-E732 HydrophobicContact CE1-CB 3.9Å; F705-E732 HydrophobicContact CE1-CG 4.13Å; F705-E732 HydrophobicContact CZ-CB 4.26Å; N706-E732 PolarHBondContact ND2-OE2 2.66Å; L728-E732 VanDerWaalsContact O-CB 3.29Å; L728-E732 WeakPolarHBondContact O-CB 3.24Å; L728-E732 PolarHBondContact O-N 3.01Å; E732-M734 VanDerWaalsContact C-N 3.32Å; E732-M734 PolarHBondContact O-N 3.25Å; E732-H735 PolarHBondContact O-N 3.16Å; E732-H735 IonicContact OE1-CD2 2.69Å; E732-V736 HydrophobicContact CG-CG2 4.17Å; E732-V736 WeakPolarHBondContact O-CB 3.03Å; E732-V736 VanDerWaalsContact O-CG2 3.28Å; E732-V736 WeakPolarHBondContact O-CG2 3.31Å; E732-V736 PolarHBondContact O-N 2.82Å; E732-Y755 PolarHBondContact OE1-OH 3.21Å; E732-Y755 PolarHBondContact OE2-OH 2.72Å |
| 733 | L | 87.4 | Confident | 86.6 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.6 | -45.8 | 173.6 | 177 | 62 | 0 | 0 | 0 | 111.5 | L529 R539 Y546 S729 M730 E731 H735 V736 Q737 | L529-L733 HydrophobicContact CB-CD1 4.37Å; L529-L733 HydrophobicContact CD2-CD1 3.78Å; R539-L733 HydrophobicContact CG-CD1 3.92Å; R539-L733 HydrophobicContact CG-CD2 3.99Å; Y546-L733 WeakPolarHBondContact OH-CB 3.37Å; Y546-L733 WeakPolarHBondContact OH-CD1 3.49Å; S729-L733 WeakPolarHBondContact O-CB 3.5Å; S729-L733 PolarHBondContact O-N 3.23Å; M730-L733 WeakPolarHBondContact O-CB 3.25Å; M730-L733 PolarHBondContact O-N 3.27Å; M730-L733 HydrophobicContact SD-CD2 4.45Å; E731-L733 VanDerWaalsContact C-N 3.34Å; E731-L733 PolarHBondContact O-N 3.37Å; L733-H735 VanDerWaalsContact C-N 3.33Å; L733-H735 PolarHBondContact O-N 3.09Å; L733-V736 PolarHBondContact O-N 2.91Å; L733-Q737 HydrophobicContact CD1-CG 4.14Å; L733-Q737 WeakPolarHBondContact O-CB 3.25Å; L733-Q737 VanDerWaalsContact O-CG 3.27Å; L733-Q737 WeakPolarHBondContact O-CG 3.49Å; L733-Q737 PolarHBondContact O-N 2.9Å |
| 734 | M | 83 | Confident | 86.6 | Confident | 117 Ų | 117 | 42.7 Ų | 42.7 | 58% | 0.576 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -62.9 | -41.8 | 178 | -65.7 | -93.7 | 76.2 | 0 | 0 | 111.1 | M730 E731 E732 S738 | M730-M734 PolarHBondContact O-N 3.42Å; E731-M734 PolarHBondContact O-N 2.8Å; E732-M734 VanDerWaalsContact C-N 3.32Å; E732-M734 PolarHBondContact O-N 3.25Å; M734-S738 WeakPolarHBondContact O-CB 3.4Å; M734-S738 PolarHBondContact O-N 3.19Å |
| 735 | H | 83.5 | Confident | 86.6 | Confident | 16 Ų | 16 | 43 Ų | 43 | 7% | 0.074 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.5 | -50.9 | 177.2 | -172.8 | 36.8 | 0 | 0 | 0 | 112.4 | N486 P488 E731 E732 L733 Q737 S738 A739 | N486-H735 WeakPolarHBondContact O-CB 3.43Å; N486-H735 PolarHBondContact O-CD2 2.83Å; N486-H735 VanDerWaalsContact O-CD2 3.26Å; N486-H735 PolarHBondContact O-CE1 2.86Å; N486-H735 PolarHBondContact O-ND1 2.89Å; P488-H735 HydrophobicContact CG-CB 4.38Å; E731-H735 PolarHBondContact O-N 2.81Å; E731-H735 VanDerWaalsContact O-N 3.13Å; E732-H735 PolarHBondContact O-N 3.16Å; E732-H735 IonicContact OE1-CD2 2.69Å; L733-H735 VanDerWaalsContact C-N 3.33Å; L733-H735 PolarHBondContact O-N 3.09Å; H735-Q737 VanDerWaalsContact C-N 3.35Å; H735-Q737 PolarHBondContact O-N 3.01Å; H735-S738 WeakPolarHBondContact O-CB 3.25Å; H735-S738 PolarHBondContact O-N 3.25Å; H735-A739 WeakPolarHBondContact O-CB 3.23Å; H735-A739 PolarHBondContact O-N 2.89Å |
| 736 | V | 88.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64 | -40.7 | -178.8 | 174 | 0 | 0 | 0 | 0 | 110.8 | L529 L545 E732 L733 S738 A739 V740 L745 I751 | L529-V736 HydrophobicContact CD1-CG1 3.65Å; L545-V736 HydrophobicContact CD1-CG1 4.43Å; E732-V736 HydrophobicContact CG-CG2 4.17Å; E732-V736 WeakPolarHBondContact O-CB 3.03Å; E732-V736 VanDerWaalsContact O-CG2 3.28Å; E732-V736 WeakPolarHBondContact O-CG2 3.31Å; E732-V736 PolarHBondContact O-N 2.82Å; L733-V736 PolarHBondContact O-N 2.91Å; V736-S738 PolarHBondContact O-N 3.49Å; V736-A739 PolarHBondContact O-N 2.94Å; V736-V740 HydrophobicContact CG1-CG2 4.22Å; V736-V740 WeakPolarHBondContact O-CB 3.12Å; V736-V740 VanDerWaalsContact O-CG2 3.23Å; V736-V740 WeakPolarHBondContact O-CG2 3.31Å; V736-V740 PolarHBondContact O-N 3Å; V736-L745 HydrophobicContact CG1-CD2 3.84Å; V736-I751 HydrophobicContact CG2-CD1 3.46Å; V736-I751 VanDerWaalsContact CG2-CD1 3.46Å |
| 737 | Q | 87.7 | Confident | 86.5 | Confident | 32 Ų | 32 | 46.3 Ų | 46.3 | 15% | 0.15 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 174.1 | -78.7 | 177.4 | -18.8 | 0 | 0 | 111.4 | L529 F530 L733 H735 A739 V740 F741 | L529-Q737 HydrophobicContact CB-CG 4.09Å; L529-Q737 PolarHBondContact O-NE2 3.08Å; F530-Q737 HydrophobicContact CD1-CG 4.49Å; F530-Q737 HydrophobicContact CE1-CB 3.98Å; F530-Q737 HydrophobicContact CE1-CG 4.19Å; F530-Q737 HydrophobicContact CZ-CB 4.22Å; F530-Q737 HydrophobicContact CZ-CG 4.47Å; F530-Q737 VanDerWaalsContact CZ-O 3.3Å; F530-Q737 WeakPolarHBondContact CZ-O 3.31Å; L733-Q737 HydrophobicContact CD1-CG 4.14Å; L733-Q737 WeakPolarHBondContact O-CB 3.25Å; L733-Q737 VanDerWaalsContact O-CG 3.27Å; L733-Q737 WeakPolarHBondContact O-CG 3.49Å; L733-Q737 PolarHBondContact O-N 2.9Å; H735-Q737 VanDerWaalsContact C-N 3.35Å; H735-Q737 PolarHBondContact O-N 3.01Å; Q737-A739 PolarHBondContact O-N 3.44Å; Q737-V740 PolarHBondContact O-N 2.69Å; Q737-F741 WeakPolarHBondContact O-CB 3.4Å; Q737-F741 PolarHBondContact O-N 2.85Å |
| 738 | S | 84.7 | Confident | 86.7 | Confident | 38 Ų | 38 | 49 Ų | 49 | 27% | 0.266 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 176.3 | -170.6 | 0 | 0 | 0 | 0 | 111.7 | M734 H735 V736 V740 F741 Q742 | M734-S738 WeakPolarHBondContact O-CB 3.4Å; M734-S738 PolarHBondContact O-N 3.19Å; H735-S738 WeakPolarHBondContact O-CB 3.25Å; H735-S738 PolarHBondContact O-N 3.25Å; V736-S738 PolarHBondContact O-N 3.49Å; S738-V740 PolarHBondContact O-N 3.41Å; S738-F741 PolarHBondContact O-N 3.19Å; S738-Q742 WeakPolarHBondContact O-CB 3.39Å; S738-Q742 VanDerWaalsContact O-CG 3.3Å; S738-Q742 WeakPolarHBondContact O-CG 3.26Å; S738-Q742 PolarHBondContact O-N 2.9Å; S738-Q742 PolarHBondContact OG-NE2 3.32Å |
| 739 | A | 86.7 | Confident | 86.8 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 2% | 0.017 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.7 | -41 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H735 V736 Q737 Q742 G743 Q744 L745 L754 | H735-A739 WeakPolarHBondContact O-CB 3.23Å; H735-A739 PolarHBondContact O-N 2.89Å; V736-A739 PolarHBondContact O-N 2.94Å; Q737-A739 PolarHBondContact O-N 3.44Å; A739-Q742 PolarHBondContact O-N 3.31Å; A739-G743 PolarHBondContact O-N 3.5Å; A739-Q744 HydrophobicContact CB-CB 4.26Å; A739-Q744 WeakPolarHBondContact O-CB 3.15Å; A739-Q744 PolarHBondContact O-N 3.35Å; A739-L745 HydrophobicContact CB-CB 4.32Å; A739-L745 PolarHBondContact O-N 3.4Å; A739-L754 HydrophobicContact CB-CD1 3.54Å; A739-L754 HydrophobicContact CB-CD2 4.04Å; A739-L754 HydrophobicContact CB-CG 4.45Å |
| 740 | V | 89.2 | Confident | 86.7 | Confident | 18 Ų | 18 | 54.6 Ų | 54.6 | 11% | 0.109 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 110.3 | L526 F530 V736 Q737 S738 Q742 G743 L745 | L526-V740 HydrophobicContact CB-CG1 4.46Å; L526-V740 HydrophobicContact CB-CG2 4.14Å; L526-V740 HydrophobicContact CD1-CG2 4.02Å; F530-V740 HydrophobicContact CE2-CB 4.19Å; F530-V740 HydrophobicContact CE2-CG1 3.77Å; F530-V740 HydrophobicContact CZ-CB 4.28Å; F530-V740 HydrophobicContact CZ-CG1 4.26Å; V736-V740 HydrophobicContact CG1-CG2 4.22Å; V736-V740 WeakPolarHBondContact O-CB 3.12Å; V736-V740 VanDerWaalsContact O-CG2 3.23Å; V736-V740 WeakPolarHBondContact O-CG2 3.31Å; V736-V740 PolarHBondContact O-N 3Å; Q737-V740 PolarHBondContact O-N 2.69Å; S738-V740 PolarHBondContact O-N 3.41Å; V740-Q742 VanDerWaalsContact C-N 3.32Å; V740-Q742 PolarHBondContact O-N 3.21Å; V740-G743 PolarHBondContact O-N 3.43Å; V740-G743 VanDerWaalsContact O-N 3.07Å; V740-L745 HydrophobicContact CG2-CB 4.03Å; V740-L745 HydrophobicContact CG2-CD2 4.11Å; V740-L745 HydrophobicContact CG2-CG 4.45Å |
| 741 | F | 86.7 | Confident | 86.8 | Confident | 174 Ų | 174 | 51.9 Ų | 51.9 | 76% | 0.763 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.8 | -38.7 | 177.8 | -171.7 | -95.2 | 0 | 0 | 0 | 112.3 | F530 Q737 S738 G743 | F530-F741 HydrophobicContact CE1-CB 4.49Å; F530-F741 HydrophobicContact CZ-CB 4.18Å; Q737-F741 WeakPolarHBondContact O-CB 3.4Å; Q737-F741 PolarHBondContact O-N 2.85Å; S738-F741 PolarHBondContact O-N 3.19Å; F741-G743 PolarHBondContact O-N 3.38Å |
| 742 | Q | 85.4 | Confident | 86.8 | Confident | 113 Ų | 113 | 50.7 Ų | 50.7 | 53% | 0.528 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -2.4 | 175.8 | -66.2 | 177.7 | 21.9 | 0 | 0 | 113.7 | S738 A739 V740 Q744 | S738-Q742 WeakPolarHBondContact O-CB 3.39Å; S738-Q742 VanDerWaalsContact O-CG 3.3Å; S738-Q742 WeakPolarHBondContact O-CG 3.26Å; S738-Q742 PolarHBondContact O-N 2.9Å; S738-Q742 PolarHBondContact OG-NE2 3.32Å; A739-Q742 PolarHBondContact O-N 3.31Å; V740-Q742 VanDerWaalsContact C-N 3.32Å; V740-Q742 PolarHBondContact O-N 3.21Å; Q742-Q744 VanDerWaalsContact C-N 3.27Å; Q742-Q744 HydrophobicContact CB-CG 4.09Å; Q742-Q744 PolarHBondContact O-N 2.9Å |
| 743 | G | 85.9 | Confident | 86.8 | Confident | 63 Ų | 63 | 53.4 Ų | 53.4 | 65% | 0.649 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 15.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A739 V740 F741 | A739-G743 PolarHBondContact O-N 3.5Å; V740-G743 PolarHBondContact O-N 3.43Å; V740-G743 VanDerWaalsContact O-N 3.07Å; F741-G743 PolarHBondContact O-N 3.38Å |
| 744 | Q | 84.5 | Confident | 86.7 | Confident | 73 Ų | 73 | 52.8 Ų | 52.8 | 34% | 0.341 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -78.2 | -25.8 | 177.8 | -63.6 | -174.6 | -0.5 | 0 | 0 | 112.8 | A739 Q742 L754 K757 | A739-Q744 HydrophobicContact CB-CB 4.26Å; A739-Q744 WeakPolarHBondContact O-CB 3.15Å; A739-Q744 PolarHBondContact O-N 3.35Å; Q742-Q744 VanDerWaalsContact C-N 3.27Å; Q742-Q744 HydrophobicContact CB-CG 4.09Å; Q742-Q744 PolarHBondContact O-N 2.9Å; Q744-L754 HydrophobicContact CB-CD1 4.12Å; Q744-K757 PolarHBondContact O-NZ 2.81Å |
| 745 | L | 87.9 | Confident | 86.7 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | trans | -123.1 | 134.4 | 177.6 | -169.3 | 71.2 | 0 | 0 | 0 | 111.4 | L526 V736 A739 V740 Q749 T750 L754 | L526-L745 HydrophobicContact CD1-CD2 3.93Å; L526-L745 HydrophobicContact CD1-CG 3.97Å; V736-L745 HydrophobicContact CG1-CD2 3.84Å; A739-L745 HydrophobicContact CB-CB 4.32Å; A739-L745 PolarHBondContact O-N 3.4Å; V740-L745 HydrophobicContact CG2-CB 4.03Å; V740-L745 HydrophobicContact CG2-CD2 4.11Å; V740-L745 HydrophobicContact CG2-CG 4.45Å; L745-Q749 HydrophobicContact CD1-CB 3.78Å; L745-T750 WeakPolarHBondContact CD1-O 3.44Å; L745-L754 HydrophobicContact CB-CD1 4.39Å; L745-L754 HydrophobicContact CD1-CB 4.3Å | ||
| 746 | S | 90.7 | Very high | 86.6 | Confident | 48 Ų | 48 | 52.9 Ų | 52.9 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | trans | -123.3 | 164.4 | 179.1 | 61.9 | 0 | 0 | 0 | 0 | 112.1 | L526 S748 Q749 | L526-S746 WeakPolarHBondContact CD1-O 3.29Å; S746-S748 PolarHBondContact O-N 3.35Å; S746-S748 VanDerWaalsContact O-N 3.13Å; S746-S748 PolarHBondContact OG-OG 3.26Å; S746-Q749 VanDerWaalsContact N-OE1 3.15Å; S746-Q749 PolarHBondContact O-N 3.31Å; S746-Q749 VanDerWaalsContact OG-CD 3.27Å; S746-Q749 PolarHBondContact OG-OE1 3.47Å | ||
| 747 | N | 87 | Confident | 86.1 | Confident | 77 Ų | 77 | 58.2 Ų | 58.2 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.5 | -176.7 | -77.5 | -20.9 | 0 | 0 | 0 | 114.2 | L526 K543 | L526-N747 VanDerWaalsContact CB-OD1 3.31Å; L526-N747 WeakPolarHBondContact CB-OD1 3.22Å; L526-N747 VanDerWaalsContact CG-OD1 3.26Å; L526-N747 WeakPolarHBondContact CG-OD1 3.49Å; L526-N747 PolarHBondContact N-OD1 2.94Å; K543-N747 VanDerWaalsContact CE-O 3.25Å; K543-N747 WeakPolarHBondContact CE-O 3.21Å; K543-N747 PolarHBondContact NZ-O 2.98Å |
| 748 | S | 88.7 | Confident | 85.2 | Confident | 110 Ų | 110 | 59.5 Ų | 59.5 | 77% | 0.769 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -13.9 | 177.2 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | S746 | S746-S748 PolarHBondContact O-N 3.35Å; S746-S748 VanDerWaalsContact O-N 3.13Å; S746-S748 PolarHBondContact OG-OG 3.26Å |
| 749 | Q | 88.4 | Confident | 84.2 | Confident | 51 Ų | 51 | 59.9 Ų | 59.9 | 24% | 0.238 | 33% | 0.332 | C | S | . | . | trans | -92.3 | 156.1 | -177.7 | -75.1 | 165.1 | -19.1 | 0 | 0 | 111.7 | K543 L745 S746 D753 K757 | K543-Q749 PolarHBondContact NZ-O 2.91Å; L745-Q749 HydrophobicContact CD1-CB 3.78Å; S746-Q749 VanDerWaalsContact N-OE1 3.15Å; S746-Q749 PolarHBondContact O-N 3.31Å; S746-Q749 VanDerWaalsContact OG-CD 3.27Å; S746-Q749 PolarHBondContact OG-OE1 3.47Å; Q749-D753 HydrophobicContact CB-CB 4.12Å; Q749-D753 HydrophobicContact CG-CB 4.23Å; Q749-K757 VanDerWaalsContact NE2-NZ 3.15Å | ||
| 750 | T | 87.8 | Confident | 83.7 | Confident | 69 Ų | 69 | 60.6 Ų | 60.6 | 42% | 0.423 | 34% | 0.336 | S | S | . | . | trans | -97.3 | 166.9 | 172.4 | 65.3 | 0 | 0 | 0 | 0 | 110.4 | L745 F752 D753 | L745-T750 WeakPolarHBondContact CD1-O 3.44Å; T750-F752 PolarHBondContact O-N 3.43Å; T750-D753 PolarHBondContact N-OD2 3.07Å; T750-D753 WeakPolarHBondContact O-CB 3.44Å; T750-D753 PolarHBondContact O-N 2.91Å; T750-D753 PolarHBondContact OG1-N 3.03Å; T750-D753 PolarHBondContact OG1-OD2 3.05Å | ||
| 751 | I | 87.4 | Confident | 83.5 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.2 | -31.6 | 176.1 | -164.7 | 63.6 | 0 | 0 | 0 | 112.2 | V736 D753 L754 Y755 | V736-I751 HydrophobicContact CG2-CD1 3.46Å; V736-I751 VanDerWaalsContact CG2-CD1 3.46Å; I751-D753 VanDerWaalsContact C-N 3.3Å; I751-D753 PolarHBondContact O-N 3.18Å; I751-L754 HydrophobicContact CD1-CD2 4.04Å; I751-L754 VanDerWaalsContact O-CB 3.22Å; I751-L754 WeakPolarHBondContact O-CB 3.47Å; I751-L754 PolarHBondContact O-N 2.92Å; I751-L754 VanDerWaalsContact O-N 3.1Å; I751-Y755 HydrophobicContact CG1-CD2 4.37Å; I751-Y755 HydrophobicContact CG1-CE2 3.89Å; I751-Y755 PolarHBondContact O-N 2.92Å |
| 752 | F | 85.3 | Confident | 83.5 | Confident | 43 Ų | 43 | 53.3 Ų | 53.3 | 19% | 0.189 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66 | -31.8 | 176.9 | -63.6 | -72.8 | 0 | 0 | 0 | 112.7 | L502 T750 L754 Y755 Q756 | L502-F752 HydrophobicContact CB-CE1 4Å; L502-F752 HydrophobicContact CB-CZ 4Å; L502-F752 HydrophobicContact CD1-CE1 3.81Å; L502-F752 HydrophobicContact CD1-CZ 3.76Å; L502-F752 HydrophobicContact CG-CE1 4.25Å; L502-F752 HydrophobicContact CG-CZ 4.43Å; T750-F752 PolarHBondContact O-N 3.43Å; F752-L754 PolarHBondContact O-N 2.89Å; F752-Y755 PolarHBondContact O-N 3.49Å; F752-Q756 WeakPolarHBondContact O-CB 3.38Å; F752-Q756 PolarHBondContact O-N 3.26Å |
| 753 | D | 86.6 | Confident | 83.6 | Confident | 56 Ų | 56 | 50.5 Ų | 50.5 | 30% | 0.299 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.5 | -28.1 | 174.4 | -61.5 | -53.9 | 0 | 0 | 0 | 112.1 | Q749 T750 I751 K757 | Q749-D753 HydrophobicContact CB-CB 4.12Å; Q749-D753 HydrophobicContact CG-CB 4.23Å; T750-D753 PolarHBondContact N-OD2 3.07Å; T750-D753 WeakPolarHBondContact O-CB 3.44Å; T750-D753 PolarHBondContact O-N 2.91Å; T750-D753 PolarHBondContact OG1-N 3.03Å; T750-D753 PolarHBondContact OG1-OD2 3.05Å; I751-D753 VanDerWaalsContact C-N 3.3Å; I751-D753 PolarHBondContact O-N 3.18Å; D753-K757 WeakPolarHBondContact O-CG 3.34Å; D753-K757 PolarHBondContact O-N 3.18Å |
| 754 | L | 84.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.4 | -53.3 | 173.3 | -174.7 | 70.9 | 0 | 0 | 0 | 110.2 | A739 Q744 L745 I751 F752 Q756 K757 T758 | A739-L754 HydrophobicContact CB-CD1 3.54Å; A739-L754 HydrophobicContact CB-CD2 4.04Å; A739-L754 HydrophobicContact CB-CG 4.45Å; Q744-L754 HydrophobicContact CB-CD1 4.12Å; L745-L754 HydrophobicContact CB-CD1 4.39Å; L745-L754 HydrophobicContact CD1-CB 4.3Å; I751-L754 HydrophobicContact CD1-CD2 4.04Å; I751-L754 VanDerWaalsContact O-CB 3.22Å; I751-L754 WeakPolarHBondContact O-CB 3.47Å; I751-L754 PolarHBondContact O-N 2.92Å; I751-L754 VanDerWaalsContact O-N 3.1Å; F752-L754 PolarHBondContact O-N 2.89Å; L754-Q756 PolarHBondContact O-N 3.16Å; L754-K757 WeakPolarHBondContact O-CB 3.46Å; L754-K757 PolarHBondContact O-N 3.45Å; L754-T758 PolarHBondContact O-N 2.94Å |
| 755 | Y | 83.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.5 | -28.8 | -179.3 | -69.7 | -53.6 | 0 | 0 | 0 | 113.2 | L487 V499 N706 E732 I751 F752 K757 T758 A759 T760 | L487-Y755 HydrophobicContact CD1-CD1 4.15Å; L487-Y755 HydrophobicContact CD1-CE1 3.6Å; L487-Y755 HydrophobicContact CG-CE1 4.21Å; V499-Y755 HydrophobicContact CG1-CD2 4.44Å; V499-Y755 HydrophobicContact CG2-CD1 4.08Å; V499-Y755 HydrophobicContact CG2-CE1 4.33Å; V499-Y755 HydrophobicContact CG2-CG 4.21Å; N706-Y755 HydrophobicContact CB-CE2 4.03Å; E732-Y755 PolarHBondContact OE1-OH 3.21Å; E732-Y755 PolarHBondContact OE2-OH 2.72Å; I751-Y755 HydrophobicContact CG1-CD2 4.37Å; I751-Y755 HydrophobicContact CG1-CE2 3.89Å; I751-Y755 PolarHBondContact O-N 2.92Å; F752-Y755 PolarHBondContact O-N 3.49Å; Y755-K757 VanDerWaalsContact C-N 3.34Å; Y755-T758 WeakPolarHBondContact CA-OG1 3.14Å; Y755-T758 PolarHBondContact O-OG1 2.83Å; Y755-A759 PolarHBondContact O-N 3.43Å; Y755-T760 PolarHBondContact O-N 2.87Å; Y755-T760 PolarHBondContact O-OG1 2.7Å |
| 756 | Q | 82.2 | Confident | 83.9 | Confident | 135 Ų | 135 | 46 Ų | 46 | 63% | 0.631 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -68.5 | -34.2 | 173.8 | -164.8 | 159.3 | 3 | 0 | 0 | 112.2 | F752 L754 A759 I761 | F752-Q756 WeakPolarHBondContact O-CB 3.38Å; F752-Q756 PolarHBondContact O-N 3.26Å; L754-Q756 PolarHBondContact O-N 3.16Å; Q756-A759 PolarHBondContact O-N 2.67Å; Q756-I761 HydrophobicContact CB-CD1 4Å |
| 757 | K | 77.9 | Confident | 83.5 | Confident | 113 Ų | 113 | 45.3 Ų | 45.3 | 49% | 0.491 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72 | -34.4 | 176.3 | -69.7 | 172.1 | -166.4 | 176 | 0 | 112.7 | Q744 Q749 D753 L754 Y755 A759 | Q744-K757 PolarHBondContact O-NZ 2.81Å; Q749-K757 VanDerWaalsContact NE2-NZ 3.15Å; D753-K757 WeakPolarHBondContact O-CG 3.34Å; D753-K757 PolarHBondContact O-N 3.18Å; L754-K757 WeakPolarHBondContact O-CB 3.46Å; L754-K757 PolarHBondContact O-N 3.45Å; Y755-K757 VanDerWaalsContact C-N 3.34Å; K757-A759 PolarHBondContact O-N 3.09Å |
| 758 | T | 68.6 | Low | 83.3 | Confident | 59 Ų | 59 | 45.7 Ų | 45.7 | 36% | 0.362 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -1.2 | 173.6 | 54 | 0 | 0 | 0 | 0 | 112.7 | L754 Y755 T760 | L754-T758 PolarHBondContact O-N 2.94Å; Y755-T758 WeakPolarHBondContact CA-OG1 3.14Å; Y755-T758 PolarHBondContact O-OG1 2.83Å; T758-T760 PolarHBondContact O-N 2.67Å; T758-T760 PolarHBondContact OG1-OG1 3.11Å |
| 759 | A | 64.8 | Low | 83.1 | Confident | 45 Ų | 45 | 40.9 Ų | 40.9 | 37% | 0.372 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 20.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y755 Q756 K757 I761 R1037 | Y755-A759 PolarHBondContact O-N 3.43Å; Q756-A759 PolarHBondContact O-N 2.67Å; K757-A759 PolarHBondContact O-N 3.09Å; A759-I761 VanDerWaalsContact C-N 3.28Å; A759-I761 PolarHBondContact O-N 3.46Å; A759-R1037 PolarHBondContact O-NH1 3.06Å; A759-R1037 PolarHBondContact O-NH2 3.34Å |
| 760 | T | 74.9 | Confident | 82.6 | Confident | 17 Ų | 17 | 39.1 Ų | 39.1 | 10% | 0.104 | 20% | 0.204 | C | C | . | . | trans | -79.2 | -10.1 | -176.4 | 46.3 | 0 | 0 | 0 | 0 | 113.9 | Q497 F498 V499 Y755 T758 | Q497-T760 WeakPolarHBondContact O-CB 3.36Å; Q497-T760 WeakPolarHBondContact O-CG2 3.01Å; F498-T760 WeakPolarHBondContact CA-O 3.26Å; V499-T760 PolarHBondContact N-O 3Å; Y755-T760 PolarHBondContact O-N 2.87Å; Y755-T760 PolarHBondContact O-OG1 2.7Å; T758-T760 PolarHBondContact O-N 2.67Å; T758-T760 PolarHBondContact OG1-OG1 3.11Å | ||
| 761 | I | 84.9 | Confident | 81.5 | Confident | 31 Ų | 31 | 37.7 Ų | 37.7 | 16% | 0.159 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 134.3 | -176 | -69 | 178.4 | 0 | 0 | 0 | 112.8 | V499 D501 Q756 A759 | V499-I761 HydrophobicContact CB-CG1 4.39Å; V499-I761 CarbonylContact O-C 3.54Å; V499-I761 VanDerWaalsContact O-CA 3.26Å; V499-I761 WeakPolarHBondContact O-CA 2.98Å; D501-I761 HydrophobicContact CB-CG2 3.66Å; Q756-I761 HydrophobicContact CB-CD1 4Å; A759-I761 VanDerWaalsContact C-N 3.28Å; A759-I761 PolarHBondContact O-N 3.46Å |
| 762 | V | 86.7 | Confident | 79.9 | Confident | 8 Ų | 8 | 43.4 Ų | 43.4 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 134 | 172 | -67.8 | 0 | 0 | 0 | 0 | 111.1 | F498 V499 L500 D501 R764 L1034 | F498-V762 HydrophobicContact CB-CG1 4.32Å; F498-V762 HydrophobicContact CB-CG2 4.09Å; F498-V762 HydrophobicContact CD1-CG1 3.68Å; F498-V762 HydrophobicContact CE1-CG1 4.4Å; F498-V762 HydrophobicContact CG-CG1 4.27Å; V499-V762 PolarHBondContact O-N 3.4Å; L500-V762 CarbonylContact C-O 3.45Å; L500-V762 WeakPolarHBondContact CA-O 3.42Å; D501-V762 PolarHBondContact N-O 3.14Å; V762-R764 VanDerWaalsContact C-N 3.35Å; V762-L1034 HydrophobicContact CG1-CD1 3.88Å |
| 763 | P | 87.7 | Confident | 78.1 | Confident | 55 Ų | 55 | 45.7 Ų | 45.7 | 36% | 0.357 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -74.3 | -27.2 | -179.2 | 29.5 | -34.7 | 0 | 0 | 0 | 113.1 | D1030 | P763-D1030 HydrophobicContact CG-CB 4.12Š|
| 764 | R | 88.9 | Confident | 76.1 | Confident | 34 Ų | 34 | 48 Ų | 48 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -135.4 | 130.3 | 179.8 | 178.7 | 176.3 | 173.8 | 82.1 | -1.7 | 108.8 | I690 R691 S692 V762 D1030 D1031 | I690-R764 PolarHBondContact O-NH1 2.9Å; R691-R764 PolarHBondContact O-NH1 2.87Å; S692-R764 CarbonylContact O-C 3.44Å; V762-R764 VanDerWaalsContact C-N 3.35Å; R764-D1030 HydrophobicContact CB-CB 4.18Å; R764-D1031 IonicContact CZ-OD2 3.88Å; R764-D1031 IonicContact NE-OD1 2.74Å; R764-D1031 PolarHBondContact NE-OD1 3.34Å; R764-D1031 IonicContact NE-OD2 3.51Å; R764-D1031 PolarHBondContact NE-OD2 2.81Å |
| 765 | F | 88.1 | Confident | 73.9 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | trans | -87.4 | 128.7 | 172.8 | 179.1 | -105 | 0 | 0 | 0 | 109.7 | I494 L500 S692 G693 I697 I709 V767 L770 | I494-F765 HydrophobicContact CB-CZ 4.34Å; I494-F765 HydrophobicContact CG2-CZ 3.88Å; L500-F765 HydrophobicContact CD1-CB 4.01Å; S692-F765 PolarHBondContact O-N 2.63Å; G693-F765 WeakPolarHBondContact CA-O 3.49Å; I697-F765 HydrophobicContact CD1-CD1 3.94Å; I697-F765 HydrophobicContact CD1-CE1 3.61Å; I697-F765 HydrophobicContact CG1-CD1 4.36Å; I697-F765 HydrophobicContact CG1-CE1 3.92Å; I709-F765 HydrophobicContact CD1-CB 3.92Å; I709-F765 HydrophobicContact CD1-CD1 3.93Å; I709-F765 HydrophobicContact CD1-CD2 3.57Å; I709-F765 HydrophobicContact CD1-CE1 4.32Å; I709-F765 HydrophobicContact CD1-CE2 4.06Å; I709-F765 HydrophobicContact CD1-CG 3.52Å; I709-F765 HydrophobicContact CD1-CZ 4.4Å; F765-V767 HydrophobicContact CD1-CG2 4.11Å; F765-V767 HydrophobicContact CE1-CB 4.33Å; F765-V767 HydrophobicContact CE1-CG2 3.36Å; F765-V767 HydrophobicContact CZ-CG2 4.12Å; F765-L770 HydrophobicContact CD2-CD1 3.34Å; F765-L770 HydrophobicContact CE2-CB 3.98Å; F765-L770 HydrophobicContact CE2-CD1 3.46Å; F765-L770 VanDerWaalsContact CE2-CD1 3.46Å; F765-L770 HydrophobicContact CE2-CG 4.35Å; F765-L770 HydrophobicContact CG-CD1 4.37Å | ||
| 766 | N | 88.1 | Confident | 71.6 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 6% | 0.059 | 28% | 0.283 | C | S | . | . | trans | -124.4 | 107.2 | 176.3 | -169.2 | -46.4 | 0 | 0 | 0 | 109.7 | R768 L769 L770 D1031 L1034 | N766-R768 PolarHBondContact O-N 2.8Å; N766-R768 WeakPolarHBondContact OD1-CB 3.44Å; N766-R768 PolarHBondContact OD1-N 2.97Å; N766-L769 HydrophobicContact CB-CB 4.24Å; N766-L769 HydrophobicContact CB-CD1 4.08Å; N766-L769 HydrophobicContact CB-CG 4.29Å; N766-L769 PolarHBondContact O-N 3.35Å; N766-L769 VanDerWaalsContact O-N 3.16Å; N766-L769 PolarHBondContact OD1-N 3.45Å; N766-L770 WeakPolarHBondContact O-CB 3.44Å; N766-L770 PolarHBondContact O-N 3.46Å; N766-D1031 WeakPolarHBondContact CB-OD1 3.5Å; N766-D1031 PolarHBondContact ND2-OD1 3.07Å; N766-L1034 HydrophobicContact CB-CD2 4.43Å | ||
| 767 | V | 81.3 | Confident | 69.2 | Low | 34 Ų | 34 | 54 Ų | 54 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -54.3 | -42 | -178.9 | 174.9 | 0 | 0 | 0 | 0 | 111 | S696 I697 F765 L769 L770 N771 | S696-V767 WeakPolarHBondContact OG-CG2 3.36Å; I697-V767 HydrophobicContact CG1-CG2 3.72Å; F765-V767 HydrophobicContact CD1-CG2 4.11Å; F765-V767 HydrophobicContact CE1-CB 4.33Å; F765-V767 HydrophobicContact CE1-CG2 3.36Å; F765-V767 HydrophobicContact CZ-CG2 4.12Å; V767-L769 VanDerWaalsContact C-N 3.3Å; V767-L769 PolarHBondContact O-N 2.62Å; V767-L770 PolarHBondContact O-N 3.5Å; V767-N771 HydrophobicContact CG1-CB 3.92Å; V767-N771 WeakPolarHBondContact O-CA 3.34Å; V767-N771 WeakPolarHBondContact O-CB 3.25Å; V767-N771 PolarHBondContact O-N 3.34Å |
| 768 | R | 83.2 | Confident | 66.9 | Low | 85 Ų | 85 | 53.5 Ų | 53.5 | 32% | 0.321 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.9 | -31.8 | -176.1 | -60.8 | -173.9 | -178.3 | -95.3 | 7.8 | 112.9 | N766 V1018 P1020 E1025 | N766-R768 PolarHBondContact O-N 2.8Å; N766-R768 WeakPolarHBondContact OD1-CB 3.44Å; N766-R768 PolarHBondContact OD1-N 2.97Å; R768-V1018 HydrophobicContact CB-CG1 3.81Å; R768-P1020 PolarHBondContact NH1-O 3.49Å; R768-P1020 PolarHBondContact NH2-O 2.95Å; R768-P1020 VanDerWaalsContact NH2-O 3.15Å; R768-E1025 WeakPolarHBondContact CD-OE1 3.33Å; R768-E1025 IonicContact CZ-OE1 2.93Å; R768-E1025 IonicContact CZ-OE2 3.39Å; R768-E1025 IonicContact NE-OE1 3.99Å; R768-E1025 PolarHBondContact NE-OE1 3.34Å; R768-E1025 IonicContact NE-OE2 3.34Å; R768-E1025 PolarHBondContact NE-OE2 3.08Å; R768-E1025 IonicContact NH2-OE1 3.74Å; R768-E1025 IonicContact NH2-OE2 3.8Å; R768-E1025 PolarHBondContact NH2-OE2 3.24Å |
| 769 | L | 84.9 | Confident | 65 | Low | 9 Ų | 9 | 56.2 Ų | 56.2 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -80.4 | -42.4 | 177.8 | -69.6 | 176.1 | 0 | 0 | 0 | 112.1 | N766 V767 K1016 V1018 F1027 D1031 L1034 A1035 L1038 | N766-L769 HydrophobicContact CB-CB 4.24Å; N766-L769 HydrophobicContact CB-CD1 4.08Å; N766-L769 HydrophobicContact CB-CG 4.29Å; N766-L769 PolarHBondContact O-N 3.35Å; N766-L769 VanDerWaalsContact O-N 3.16Å; N766-L769 PolarHBondContact OD1-N 3.45Å; V767-L769 VanDerWaalsContact C-N 3.3Å; V767-L769 PolarHBondContact O-N 2.62Å; L769-K1016 PolarHBondContact O-NZ 3.39Å; L769-V1018 HydrophobicContact CD2-CB 4.5Å; L769-V1018 HydrophobicContact CD2-CG1 3.98Å; L769-V1018 HydrophobicContact CD2-CG2 3.75Å; L769-V1018 HydrophobicContact CG-CG1 4.43Å; L769-F1027 HydrophobicContact CD1-CE2 4.14Å; L769-F1027 HydrophobicContact CD1-CZ 3.95Å; L769-F1027 HydrophobicContact CD2-CZ 4.43Å; L769-F1027 HydrophobicContact CG-CE2 4.36Å; L769-F1027 HydrophobicContact CG-CZ 4.47Å; L769-D1031 HydrophobicContact CD1-CB 4.38Å; L769-D1031 WeakPolarHBondContact CD1-O 3.4Å; L769-L1034 HydrophobicContact CB-CD2 4.28Å; L769-L1034 HydrophobicContact CD1-CB 4.15Å; L769-L1034 HydrophobicContact CD1-CD2 4.01Å; L769-L1034 HydrophobicContact CD1-CG 4.1Å; L769-A1035 HydrophobicContact CD1-CB 4.18Å; L769-A1035 HydrophobicContact CD2-CB 4.1Å; L769-L1038 HydrophobicContact CB-CD1 3.99Å |
| 770 | L | 78.1 | Confident | 63.2 | Low | 14 Ų | 14 | 57.4 Ų | 57.4 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -94.8 | -25.5 | -167.8 | -66.3 | 176.2 | 0 | 0 | 0 | 114.5 | F498 F765 N766 V767 K772 L1034 L1038 | F498-L770 HydrophobicContact CD2-CD2 3.33Å; F498-L770 HydrophobicContact CD2-CG 4.5Å; F498-L770 HydrophobicContact CE2-CD2 3.44Å; F498-L770 VanDerWaalsContact CE2-CD2 3.44Å; F498-L770 HydrophobicContact CG-CD2 4.06Å; F498-L770 HydrophobicContact CZ-CD2 4.27Å; F765-L770 HydrophobicContact CD2-CD1 3.34Å; F765-L770 HydrophobicContact CE2-CB 3.98Å; F765-L770 HydrophobicContact CE2-CD1 3.46Å; F765-L770 VanDerWaalsContact CE2-CD1 3.46Å; F765-L770 HydrophobicContact CE2-CG 4.35Å; F765-L770 HydrophobicContact CG-CD1 4.37Å; N766-L770 WeakPolarHBondContact O-CB 3.44Å; N766-L770 PolarHBondContact O-N 3.46Å; V767-L770 PolarHBondContact O-N 3.5Å; L770-K772 PolarHBondContact O-N 2.96Å; L770-L1034 HydrophobicContact CD1-CD2 3.92Å; L770-L1034 HydrophobicContact CD2-CD1 4.23Å; L770-L1034 HydrophobicContact CD2-CD2 4.05Å; L770-L1034 HydrophobicContact CD2-CG 4.49Å; L770-L1034 HydrophobicContact CG-CD2 3.89Å; L770-L1038 HydrophobicContact CD2-CD1 4.14Å; L770-L1038 HydrophobicContact CD2-CD2 4.39Å |
| 771 | N | 65.4 | Low | 61.1 | Low | 40 Ų | 40 | 60 Ų | 60 | 21% | 0.214 | 33% | 0.325 | C | S | . | . | trans | -74.7 | 117.1 | -174.3 | -160.8 | 7.1 | 0 | 0 | 0 | 111 | V767 K773 | V767-N771 HydrophobicContact CG1-CB 3.92Å; V767-N771 WeakPolarHBondContact O-CA 3.34Å; V767-N771 WeakPolarHBondContact O-CB 3.25Å; V767-N771 PolarHBondContact O-N 3.34Å; N771-K773 WeakPolarHBondContact OD1-CB 3.25Å; N771-K773 PolarHBondContact OD1-N 3.23Å; N771-K773 VanDerWaalsContact OD1-N 3.14Å | ||
| 772 | K | 52.3 | Low | 58.6 | Low | 121 Ų | 121 | 65.9 Ų | 65.9 | 53% | 0.526 | 36% | 0.356 | S | S | . | . | trans | -96.1 | -12.8 | 170.6 | -79.6 | -170.7 | 179.1 | -177.8 | 0 | 112.8 | T480 L770 K774 | T480-K772 PolarHBondContact OG1-NZ 2.99Å; L770-K772 PolarHBondContact O-N 2.96Å; K772-K774 PolarHBondContact O-N 3.41Å | ||
| 773 | K | 48.1 | Very low | 56.7 | Low | 91 Ų | 91 | 71.9 Ų | 71.9 | 40% | 0.396 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -61.9 | 128.2 | -178 | -80 | -178.5 | 179.9 | 171 | 0 | 109.2 | D711 N771 D775 | D711-K773 IonicContact OD1-NZ 2.75Å; N771-K773 WeakPolarHBondContact OD1-CB 3.25Å; N771-K773 PolarHBondContact OD1-N 3.23Å; N771-K773 VanDerWaalsContact OD1-N 3.14Å; K773-D775 PolarHBondContact O-N 3.44Å |
| 774 | K | 45.2 | Very low | 54.9 | Low | 105 Ų | 105 | 72.9 Ų | 72.9 | 46% | 0.457 | 40% | 0.396 | S | S | . | . | trans | -57.1 | 109.4 | 164.4 | -78.1 | 178.4 | 172.7 | 178.7 | 0 | 106.1 | K772 N776 S1085 E1089 | K772-K774 PolarHBondContact O-N 3.41Å; K774-N776 WeakPolarHBondContact CB-OD1 3.3Å; K774-N776 PolarHBondContact O-N 3.39Å; K774-S1085 WeakPolarHBondContact CE-OG 3.29Å; K774-S1085 PolarHBondContact NZ-OG 3.4Å; K774-E1089 IonicContact NZ-OE1 3.51Å; K774-E1089 PolarHBondContact NZ-OE1 2.88Å | ||
| 775 | D | 37.5 | Very low | 53.7 | Low | 102 Ų | 102 | 73.7 Ų | 73.7 | 55% | 0.545 | 41% | 0.406 | S | S | . | . | trans | -65.5 | 81.2 | 159.3 | -79.7 | -24 | 0 | 0 | 0 | 106.7 | K773 S777 N778 | K773-D775 PolarHBondContact O-N 3.44Å; D775-S777 PolarHBondContact O-N 3.44Å; D775-S777 VanDerWaalsContact O-N 3.11Å; D775-N778 PolarHBondContact O-N 3.22Å | ||
| 776 | N | 35.5 | Very low | 53.2 | Low | 81 Ų | 81 | 78.3 Ų | 78.3 | 43% | 0.433 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -59.3 | -17.7 | 173.4 | -78.3 | -17.2 | 0 | 0 | 0 | 110.9 | K774 N778 Q779 | K774-N776 WeakPolarHBondContact CB-OD1 3.3Å; K774-N776 PolarHBondContact O-N 3.39Å; N776-N778 PolarHBondContact O-N 3.07Å; N776-Q779 PolarHBondContact O-N 3.41Å |
| 777 | S | 30.2 | Very low | 53.1 | Low | 78 Ų | 78 | 78.8 Ų | 78.8 | 55% | 0.545 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -65 | -15.4 | 173.1 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | D775 | D775-S777 PolarHBondContact O-N 3.44Å; D775-S777 VanDerWaalsContact O-N 3.11Å |
| 778 | N | 29.7 | Very low | 53.3 | Low | 101 Ų | 101 | 77.3 Ų | 77.3 | 54% | 0.54 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -103.6 | 22.2 | 179.9 | -76.9 | -7.8 | 0 | 0 | 0 | 114.4 | D775 N776 G780 S781 | D775-N778 PolarHBondContact O-N 3.22Å; N776-N778 PolarHBondContact O-N 3.07Å; N778-G780 PolarHBondContact O-N 3.5Å; N778-S781 PolarHBondContact O-N 3.46Å |
| 779 | Q | 30.7 | Very low | 53 | Low | 117 Ų | 117 | 77.6 Ų | 77.6 | 55% | 0.547 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -13.1 | 166 | -74.2 | -171.1 | 3.8 | 0 | 0 | 113 | N776 | N776-Q779 PolarHBondContact O-N 3.41Š|
| 780 | G | 26.8 | Very low | 52.6 | Low | 69 Ų | 69 | 77.3 Ų | 77.3 | 71% | 0.711 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -10.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | N778 | N778-G780 PolarHBondContact O-N 3.5Š|
| 781 | S | 29.7 | Very low | 51.8 | Low | 72 Ų | 72 | 80 Ų | 80 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | trans | -106.6 | 79.2 | 175.6 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | N778 N783 | N778-S781 PolarHBondContact O-N 3.46Å; S781-N783 PolarHBondContact O-N 3.22Å | ||
| 782 | L | 33.1 | Very low | 51 | Low | 154 Ų | 154 | 79.1 Ų | 79.1 | 81% | 0.806 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -2.5 | -170.2 | -141.5 | 83.2 | 0 | 0 | 0 | 116.3 | ||
| 783 | N | 45.4 | Very low | 50.5 | Low | 135 Ų | 135 | 74.2 Ų | 74.2 | 72% | 0.722 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.2 | -1.9 | -152.5 | -74.6 | -17 | 0 | 0 | 0 | 120.4 | S781 P785 | S781-N783 PolarHBondContact O-N 3.22Å; N783-P785 WeakPolarHBondContact O-CD 3.43Å |
| 784 | S | 51 | Low | 49.9 | Very low | 76 Ų | 76 | 71.6 Ų | 71.6 | 53% | 0.531 | 41% | 0.411 | S | S | . | . | trans | -98.3 | 113 | 178.3 | 62.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 785 | P | 63 | Low | 49.4 | Very low | 50 Ų | 50 | 72.5 Ų | 72.5 | 33% | 0.325 | 42% | 0.419 | S | S | . | . | trans | -66.9 | 135.4 | 178.3 | 28 | -32.8 | 0 | 0 | 0 | 110.9 | N783 I1002 I1017 | N783-P785 WeakPolarHBondContact O-CD 3.43Å; P785-I1002 WeakPolarHBondContact CG-O 3.29Å; P785-I1017 HydrophobicContact CB-CD1 4.4Å; P785-I1017 HydrophobicContact CG-CD1 4.09Å; P785-I1017 WeakPolarHBondContact O-CD1 3.4Å | ||
| 786 | K | 78.2 | Confident | 49.2 | Very low | 99 Ų | 99 | 70.3 Ų | 70.3 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -79 | -24.1 | 175.6 | -166.7 | -179.7 | 179.3 | -166.8 | 0 | 112.7 | I1017 E1081 | K786-I1017 PolarHBondContact O-N 3.15Å; K786-E1081 IonicContact NZ-OE1 2.74Å; K786-E1081 IonicContact NZ-OE2 3.18Å; K786-E1081 PolarHBondContact NZ-OE2 2.96Å |
| 787 | Y | 86.4 | Confident | 48.8 | Very low | 22 Ų | 22 | 75.6 Ų | 75.6 | 9% | 0.086 | 44% | 0.435 | C | S | . | . | B | Isolated β-bridge | trans | -134.8 | 146.2 | -178.9 | -67.6 | -85.9 | 0 | 0 | 0 | 110 | N789 G1015 K1016 Q1077 E1081 | Y787-N789 PolarHBondContact O-N 3.35Å; Y787-G1015 CarbonylContact C-O 3.57Å; Y787-G1015 WeakPolarHBondContact CA-O 3.36Å; Y787-K1016 HydrophobicContact CD1-CB 3.97Å; Y787-K1016 HydrophobicContact CD1-CG 4.4Å; Y787-K1016 HydrophobicContact CE1-CB 3.6Å; Y787-K1016 HydrophobicContact CE1-CD 4.38Å; Y787-K1016 HydrophobicContact CE1-CG 3.8Å; Y787-Q1077 HydrophobicContact CE1-CB 4.06Å; Y787-Q1077 HydrophobicContact CE1-CG 3.92Å; Y787-Q1077 WeakPolarHBondContact OH-CG 3.24Å; Y787-Q1077 PolarHBondContact OH-NE2 2.9Å; Y787-Q1077 VanDerWaalsContact OH-NE2 3.1Å; Y787-E1081 WeakPolarHBondContact CE2-OE2 3.32Å; Y787-E1081 PolarHBondContact OH-OE1 3.2Å; Y787-E1081 PolarHBondContact OH-OE2 3.09Å |
| 788 | I | 85.4 | Confident | 48.8 | Very low | 3 Ų | 3 | 75.3 Ų | 75.3 | 2% | 0.015 | 44% | 0.444 | C | S | . | . | trans | -66.9 | 127 | 170 | -62.9 | -178.3 | 0 | 0 | 0 | 108.9 | F790 L811 W836 I1001 I1012 G1015 I1017 W1070 S1074 | I788-F790 HydrophobicContact CB-CE2 4.03Å; I788-F790 HydrophobicContact CB-CZ 4.09Å; I788-F790 HydrophobicContact CG2-CD1 4.35Å; I788-F790 HydrophobicContact CG2-CD2 4.35Å; I788-F790 HydrophobicContact CG2-CE1 3.89Å; I788-F790 HydrophobicContact CG2-CE2 3.88Å; I788-F790 HydrophobicContact CG2-CZ 3.64Å; I788-F790 WeakPolarHBondContact O-CD2 3.35Å; I788-L811 HydrophobicContact CG2-CD2 3.88Å; I788-W836 HydrophobicContact CD1-CE3 4.32Å; I788-W836 HydrophobicContact CD1-CZ3 4.25Å; I788-I1001 HydrophobicContact CG2-CG2 4.23Å; I788-I1012 HydrophobicContact CD1-CG1 4.35Å; I788-I1012 HydrophobicContact CD1-CG2 3.74Å; I788-I1012 HydrophobicContact CG1-CG2 4.32Å; I788-G1015 PolarHBondContact N-O 3.28Å; I788-I1017 HydrophobicContact CG1-CD1 4.11Å; I788-I1017 HydrophobicContact CG1-CG1 4.16Å; I788-W1070 HydrophobicContact CD1-CZ3 4.36Å; I788-S1074 PolarHBondContact O-OG 3.37Å | ||
| 789 | N | 76.7 | Confident | 48.9 | Very low | 90 Ų | 90 | 75.9 Ų | 75.9 | 48% | 0.481 | 45% | 0.446 | S | S | . | . | trans | -89.4 | 113.2 | 177.6 | -173.2 | -4.8 | 0 | 0 | 0 | 110.9 | Y787 N791 | Y787-N789 PolarHBondContact O-N 3.35Å; N789-N791 VanDerWaalsContact C-N 3.35Å; N789-N791 PolarHBondContact ND2-ND2 3.3Å; N789-N791 VanDerWaalsContact ND2-ND2 3.17Å; N789-N791 VanDerWaalsContact OD1-CB 3.27Å; N789-N791 WeakPolarHBondContact OD1-CB 3.39Å; N789-N791 PolarHBondContact OD1-N 3.03Å; N789-N791 PolarHBondContact OD1-ND2 2.87Å; N789-N791 PolarHBondContact OD1-OD1 2.89Å | ||
| 790 | F | 76 | Confident | 48.9 | Very low | 3 Ų | 3 | 75.9 Ų | 75.9 | 1% | 0.013 | 46% | 0.459 | C | S | . | . | trans | -93.1 | 23.9 | 177.8 | -62.5 | -78.9 | 0 | 0 | 0 | 113.6 | L458 I788 G792 Y793 L811 M815 W1070 Q1071 V1075 | L458-F790 HydrophobicContact CD2-CB 4.31Å; I788-F790 HydrophobicContact CB-CE2 4.03Å; I788-F790 HydrophobicContact CB-CZ 4.09Å; I788-F790 HydrophobicContact CG2-CD1 4.35Å; I788-F790 HydrophobicContact CG2-CD2 4.35Å; I788-F790 HydrophobicContact CG2-CE1 3.89Å; I788-F790 HydrophobicContact CG2-CE2 3.88Å; I788-F790 HydrophobicContact CG2-CZ 3.64Å; I788-F790 WeakPolarHBondContact O-CD2 3.35Å; F790-G792 PolarHBondContact O-N 2.97Å; F790-Y793 HydrophobicContact CB-CD2 4.23Å; F790-Y793 HydrophobicContact CB-CE2 4.29Å; F790-Y793 AromaticContact CD1-CE2 3.98Å; F790-Y793 HydrophobicContact CD1-CE2 3.98Å; F790-Y793 WeakPolarHBondContact O-CD2 3.33Å; F790-L811 HydrophobicContact CD1-CD2 3.59Å; F790-L811 HydrophobicContact CE1-CD2 3.75Å; F790-L811 HydrophobicContact CE1-CG 4.44Å; F790-M815 HydrophobicContact CD1-SD 4.33Å; F790-M815 HydrophobicContact CE1-SD 3.73Å; F790-W1070 HydrophobicContact CE1-CH2 4.08Å; F790-W1070 HydrophobicContact CE1-CZ2 4.12Å; F790-W1070 HydrophobicContact CZ-CD2 4.49Å; F790-W1070 HydrophobicContact CZ-CE3 4.21Å; F790-W1070 AromaticContact CZ-CH2 3.63Å; F790-W1070 HydrophobicContact CZ-CH2 3.63Å; F790-W1070 AromaticContact CZ-CZ2 3.94Å; F790-W1070 HydrophobicContact CZ-CZ2 3.94Å; F790-W1070 AromaticContact CZ-CZ3 3.79Å; F790-W1070 HydrophobicContact CZ-CZ3 3.79Å; F790-Q1071 HydrophobicContact CD1-CG 3.95Å; F790-Q1071 HydrophobicContact CD2-CB 4.27Å; F790-Q1071 HydrophobicContact CD2-CG 4.48Å; F790-Q1071 HydrophobicContact CE1-CG 3.84Å; F790-Q1071 HydrophobicContact CE2-CB 4.38Å; F790-Q1071 HydrophobicContact CE2-CG 4.38Å; F790-Q1071 HydrophobicContact CG-CB 4.33Å; F790-Q1071 HydrophobicContact CG-CG 4.28Å; F790-Q1071 HydrophobicContact CZ-CG 4.06Å; F790-V1075 HydrophobicContact CB-CG2 4.5Å | ||
| 791 | N | 62 | Low | 48.9 | Very low | 70 Ų | 70 | 79.6 Ų | 79.6 | 37% | 0.374 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 136.1 | 179.6 | -88.2 | -9 | 0 | 0 | 0 | 113.3 | Q454 N789 S808 | Q454-N791 WeakPolarHBondContact CG-OD1 3.36Å; Q454-N791 PolarHBondContact NE2-OD1 3.27Å; N789-N791 VanDerWaalsContact C-N 3.35Å; N789-N791 PolarHBondContact ND2-ND2 3.3Å; N789-N791 VanDerWaalsContact ND2-ND2 3.17Å; N789-N791 VanDerWaalsContact OD1-CB 3.27Å; N789-N791 WeakPolarHBondContact OD1-CB 3.39Å; N789-N791 PolarHBondContact OD1-N 3.03Å; N789-N791 PolarHBondContact OD1-ND2 2.87Å; N789-N791 PolarHBondContact OD1-OD1 2.89Å; N791-S808 WeakPolarHBondContact O-CB 3.34Å |
| 792 | G | 47.9 | Very low | 48.8 | Very low | 22 Ų | 22 | 84.1 Ų | 84.1 | 23% | 0.227 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 18.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | F790 S794 | F790-G792 PolarHBondContact O-N 2.97Å; G792-S794 PolarHBondContact O-N 3.01Å |
| 793 | Y | 42.6 | Very low | 48.6 | Very low | 18 Ų | 18 | 83.7 Ų | 83.7 | 7% | 0.071 | 47% | 0.474 | C | S | . | . | trans | -65.5 | 130.1 | 164.5 | -91.3 | -110.7 | 0 | 0 | 0 | 109.2 | D457 L458 F790 L811 K812 M815 | D457-Y793 CarbonylContact C-O 3.54Å; D457-Y793 CarbonylContact O-C 3.57Å; L458-Y793 HydrophobicContact CD2-CD1 4.16Å; L458-Y793 HydrophobicContact CD2-CD2 4.3Å; L458-Y793 HydrophobicContact CD2-CG 3.73Å; F790-Y793 HydrophobicContact CB-CD2 4.23Å; F790-Y793 HydrophobicContact CB-CE2 4.29Å; F790-Y793 AromaticContact CD1-CE2 3.98Å; F790-Y793 HydrophobicContact CD1-CE2 3.98Å; F790-Y793 WeakPolarHBondContact O-CD2 3.33Å; Y793-L811 HydrophobicContact CE2-CD2 4.28Å; Y793-K812 HydrophobicContact CE1-CB 3.94Å; Y793-K812 HydrophobicContact CE1-CD 4.33Å; Y793-K812 HydrophobicContact CE1-CG 4.04Å; Y793-K812 VanDerWaalsContact OH-CA 3.27Å; Y793-K812 WeakPolarHBondContact OH-CA 3.28Å; Y793-K812 PolarHBondContact OH-N 3.26Å; Y793-M815 HydrophobicContact CE1-CE 3.76Å; Y793-M815 WeakPolarHBondContact OH-CE 3.5Å; Y793-M815 PolarHBondContact OH-SD 3.43Å | ||
| 794 | S | 34.8 | Very low | 48.3 | Very low | 37 Ų | 37 | 83.6 Ų | 83.6 | 26% | 0.259 | 48% | 0.478 | S | S | . | . | trans | -131.1 | 143.3 | 152.2 | 62.5 | 0 | 0 | 0 | 0 | 106.9 | G792 K812 | G792-S794 PolarHBondContact O-N 3.01Å; S794-K812 PolarHBondContact O-NZ 2.97Å | ||
| 795 | I | 34.7 | Very low | 48 | Very low | 123 Ų | 123 | 84.6 Ų | 84.6 | 63% | 0.631 | 48% | 0.477 | S | S | * | . | trans | -64.5 | 121.8 | 166.8 | -59.1 | 171.5 | 0 | 0 | 0 | 105.6 | M797 L919 | I795-M797 PolarHBondContact O-N 3.4Å; I795-L919 HydrophobicContact CG2-CD1 4.47Å | ||
| 796 | P | 33 | Very low | 47.6 | Very low | 56 Ų | 56 | 85.4 Ų | 85.4 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | trans | -80.5 | 118.7 | -166.3 | 3.2 | 18.4 | 0 | 0 | 0 | 108.6 | K812 | P796-K812 VanDerWaalsContact CG-NZ 3.28Š| ||
| 797 | M | 27.3 | Very low | 46.8 | Very low | 193 Ų | 193 | 84.7 Ų | 84.7 | 95% | 0.951 | 49% | 0.486 | S | S | * | . | trans | -95.6 | 99.6 | 153.4 | -76.8 | -79.3 | -78.5 | 0 | 0 | 107.2 | I795 | I795-M797 PolarHBondContact O-N 3.4Š| ||
| 798 | G | 30 | Very low | 45.6 | Very low | 72 Ų | 72 | 84.8 Ų | 84.8 | 74% | 0.742 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 91.2 | 140.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 799 | I | 32.6 | Very low | 44.7 | Very low | 112 Ų | 112 | 89.2 Ų | 89.2 | 57% | 0.574 | 51% | 0.511 | S | S | * | . | trans | -92.1 | 145.9 | -167.6 | -63.9 | 159.4 | 0 | 0 | 0 | 112.3 | L921 | I799-L921 HydrophobicContact CD1-CD2 4.2Å; I799-L921 HydrophobicContact CD1-CG 4.4Å; I799-L921 HydrophobicContact CG1-CD2 4.14Å | ||
| 800 | S | 29.6 | Very low | 44.5 | Very low | 117 Ų | 117 | 86.5 Ų | 86.5 | 82% | 0.818 | 50% | 0.496 | S | S | * | . | trans | -169.8 | 145.7 | 131.3 | 28.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 801 | D | 27.7 | Very low | 44.7 | Very low | 148 Ų | 148 | 86.4 Ų | 86.4 | 79% | 0.791 | 50% | 0.496 | S | S | * | . | trans | -51 | 164.1 | -178.2 | -69.5 | -50.9 | 0 | 0 | 0 | 115.5 | ||||
| 802 | E | 27.6 | Very low | 45.3 | Very low | 167 Ų | 167 | 85 Ų | 85 | 78% | 0.78 | 49% | 0.486 | S | S | * | . | cis | -167 | 139.7 | 42.7 | -142.4 | 172.6 | -142.7 | 0 | 0 | 111.1 | ||||
| 803 | N | 30 | Very low | 46.7 | Very low | 145 Ų | 145 | 85.8 Ų | 85.8 | 78% | 0.775 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 52.3 | 68.8 | 151.6 | -62.9 | -23.4 | 0 | 0 | 0 | 121.5 | ||
| 804 | V | 37.2 | Very low | 48.8 | Very low | 133 Ų | 133 | 85 Ų | 85 | 81% | 0.806 | 49% | 0.485 | S | S | * | . | S | Bend | trans | 154.2 | 99.2 | 139 | 165 | 0 | 0 | 0 | 0 | 103.4 | P806 | V804-P806 WeakPolarHBondContact O-CD 3.41Š|
| 805 | L | 45.4 | Very low | 51.1 | Low | 97 Ų | 97 | 83.4 Ų | 83.4 | 51% | 0.508 | 47% | 0.474 | S | S | . | . | trans | -59.7 | 125.8 | -174.6 | -93.3 | 79.7 | 0 | 0 | 0 | 109.4 | Q809 | L805-Q809 HydrophobicContact CB-CB 4.24Å; L805-Q809 HydrophobicContact CD2-CB 3.64Å; L805-Q809 HydrophobicContact CG-CB 4.01Å | ||
| 806 | P | 55 | Low | 53.3 | Low | 66 Ų | 66 | 80.7 Ų | 80.7 | 43% | 0.429 | 46% | 0.461 | S | S | . | . | trans | -55.3 | 145.7 | 167.8 | 20.6 | -28.8 | 0 | 0 | 0 | 109.2 | V804 S808 Q809 L810 | V804-P806 WeakPolarHBondContact O-CD 3.41Å; P806-S808 PolarHBondContact O-N 3.41Å; P806-Q809 HydrophobicContact CG-CB 4.4Å; P806-Q809 HydrophobicContact CG-CG 4.03Å; P806-Q809 PolarHBondContact O-N 3.4Å; P806-L810 PolarHBondContact O-N 3.25Å | ||
| 807 | T | 61.6 | Low | 55.7 | Low | 84 Ų | 84 | 79.8 Ų | 79.8 | 52% | 0.515 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -48.7 | -30.6 | -174 | 25.6 | 0 | 0 | 0 | 0 | 113.8 | L811 I1001 | T807-L811 WeakPolarHBondContact O-CB 2.99Å; T807-L811 PolarHBondContact O-N 3.48Å; T807-I1001 HydrophobicContact CG2-CG1 4.34Å |
| 808 | S | 61.1 | Low | 58.6 | Low | 24 Ų | 24 | 70.7 Ų | 70.7 | 17% | 0.168 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 175.8 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | N791 P806 K812 | N791-S808 WeakPolarHBondContact O-CB 3.34Å; P806-S808 PolarHBondContact O-N 3.41Å; S808-K812 PolarHBondContact O-N 2.91Å; S808-K812 VanDerWaalsContact O-N 3.09Å |
| 809 | Q | 65.5 | Low | 61.5 | Low | 97 Ų | 97 | 67.5 Ų | 67.5 | 45% | 0.453 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -71.3 | -36 | 176.8 | -70.3 | -176.9 | -7.4 | 0 | 0 | 111.2 | L805 P806 K812 S813 | L805-Q809 HydrophobicContact CB-CB 4.24Å; L805-Q809 HydrophobicContact CD2-CB 3.64Å; L805-Q809 HydrophobicContact CG-CB 4.01Å; P806-Q809 HydrophobicContact CG-CB 4.4Å; P806-Q809 HydrophobicContact CG-CG 4.03Å; P806-Q809 PolarHBondContact O-N 3.4Å; Q809-K812 PolarHBondContact O-N 3.4Å; Q809-S813 PolarHBondContact O-N 2.65Å |
| 810 | L | 73.6 | Confident | 64.3 | Low | 32 Ų | 32 | 62.4 Ų | 62.4 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 174.3 | -176.8 | 70.3 | 0 | 0 | 0 | 111 | P806 K812 S813 F814 M993 T996 I997 | P806-L810 PolarHBondContact O-N 3.25Å; L810-K812 VanDerWaalsContact C-N 3.28Å; L810-K812 PolarHBondContact O-N 2.92Å; L810-S813 PolarHBondContact O-N 3.06Å; L810-F814 WeakPolarHBondContact O-CB 3.37Å; L810-F814 PolarHBondContact O-N 3.24Å; L810-M993 HydrophobicContact CD1-CE 4.37Å; L810-M993 HydrophobicContact CD1-CG 4.45Å; L810-T996 HydrophobicContact CD2-CG2 3.72Å; L810-I997 HydrophobicContact CD2-CD1 4.01Å; L810-I997 HydrophobicContact CG-CD1 3.84Å |
| 811 | L | 80.1 | Confident | 67.3 | Low | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 177.3 | -174.4 | 59 | 0 | 0 | 0 | 112.2 | I788 F790 Y793 T807 F814 M815 W836 I997 I1001 | I788-L811 HydrophobicContact CG2-CD2 3.88Å; F790-L811 HydrophobicContact CD1-CD2 3.59Å; F790-L811 HydrophobicContact CE1-CD2 3.75Å; F790-L811 HydrophobicContact CE1-CG 4.44Å; Y793-L811 HydrophobicContact CE2-CD2 4.28Å; T807-L811 WeakPolarHBondContact O-CB 2.99Å; T807-L811 PolarHBondContact O-N 3.48Å; L811-F814 WeakPolarHBondContact O-CB 3.21Å; L811-F814 PolarHBondContact O-N 3.31Å; L811-M815 HydrophobicContact CG-SD 4.2Å; L811-M815 WeakPolarHBondContact O-CB 3.5Å; L811-M815 VanDerWaalsContact O-CG 3.31Å; L811-M815 WeakPolarHBondContact O-CG 3.35Å; L811-M815 PolarHBondContact O-N 3.43Å; L811-W836 HydrophobicContact CD1-CH2 4.39Å; L811-I997 HydrophobicContact CD1-CD1 4.31Å; L811-I1001 HydrophobicContact CB-CD1 3.79Å; L811-I1001 HydrophobicContact CD1-CD1 4.15Å; L811-I1001 HydrophobicContact CD1-CG2 4.43Å; L811-I1001 HydrophobicContact CD2-CG2 4.41Å; L811-I1001 HydrophobicContact CG-CD1 4.4Å |
| 812 | K | 75 | Confident | 70.2 | Confident | 39 Ų | 39 | 50.3 Ų | 50.3 | 17% | 0.17 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.4 | -53.1 | 177.4 | -178.4 | 174.9 | -173.7 | 158.6 | 0 | 112.5 | Y793 S794 P796 S808 Q809 L810 F814 M815 D816 | Y793-K812 HydrophobicContact CE1-CB 3.94Å; Y793-K812 HydrophobicContact CE1-CD 4.33Å; Y793-K812 HydrophobicContact CE1-CG 4.04Å; Y793-K812 VanDerWaalsContact OH-CA 3.27Å; Y793-K812 WeakPolarHBondContact OH-CA 3.28Å; Y793-K812 PolarHBondContact OH-N 3.26Å; S794-K812 PolarHBondContact O-NZ 2.97Å; P796-K812 VanDerWaalsContact CG-NZ 3.28Å; S808-K812 PolarHBondContact O-N 2.91Å; S808-K812 VanDerWaalsContact O-N 3.09Å; Q809-K812 PolarHBondContact O-N 3.4Å; L810-K812 VanDerWaalsContact C-N 3.28Å; L810-K812 PolarHBondContact O-N 2.92Å; K812-F814 PolarHBondContact O-N 3.29Å; K812-M815 PolarHBondContact O-N 3.38Å; K812-M815 VanDerWaalsContact O-N 3.14Å; K812-D816 PolarHBondContact O-N 2.89Å |
| 813 | S | 77.2 | Confident | 72.9 | Confident | 39 Ų | 39 | 44.4 Ų | 44.4 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.4 | -37.8 | 176.7 | 179.4 | 0 | 0 | 0 | 0 | 110.7 | Q809 L810 Q817 M993 | Q809-S813 PolarHBondContact O-N 2.65Å; L810-S813 PolarHBondContact O-N 3.06Å; S813-Q817 WeakPolarHBondContact O-CG 3.36Å; S813-Q817 PolarHBondContact O-N 3.22Å; S813-M993 WeakPolarHBondContact OG-CE 3.46Å |
| 814 | F | 85.2 | Confident | 75 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.4 | -50.2 | 176 | -178.7 | -103.3 | 0 | 0 | 0 | 112.5 | L810 L811 K812 D816 Q817 M818 W836 V886 M993 H994 I997 | L810-F814 WeakPolarHBondContact O-CB 3.37Å; L810-F814 PolarHBondContact O-N 3.24Å; L811-F814 WeakPolarHBondContact O-CB 3.21Å; L811-F814 PolarHBondContact O-N 3.31Å; K812-F814 PolarHBondContact O-N 3.29Å; F814-D816 PolarHBondContact O-N 3.01Å; F814-Q817 CarbonylContact O-C 3.54Å; F814-Q817 PolarHBondContact O-N 2.92Å; F814-Q817 VanDerWaalsContact O-N 3.12Å; F814-M818 HydrophobicContact CD1-CG 4.18Å; F814-M818 HydrophobicContact CE1-CE 4.42Å; F814-M818 HydrophobicContact CE1-CG 3.87Å; F814-M818 HydrophobicContact CE1-SD 3.76Å; F814-M818 HydrophobicContact CZ-CG 4.33Å; F814-M818 HydrophobicContact CZ-SD 3.72Å; F814-M818 PolarHBondContact O-N 3.26Å; F814-M818 VanDerWaalsContact O-N 3.17Å; F814-W836 AromaticContact CD1-CH2 3.72Å; F814-W836 HydrophobicContact CD1-CH2 3.72Å; F814-W836 HydrophobicContact CD1-CZ3 4.11Å; F814-W836 HydrophobicContact CE1-CE3 4.38Å; F814-W836 AromaticContact CE1-CH2 3.61Å; F814-W836 HydrophobicContact CE1-CH2 3.61Å; F814-W836 HydrophobicContact CE1-CZ2 4.26Å; F814-W836 AromaticContact CE1-CZ3 3.69Å; F814-W836 HydrophobicContact CE1-CZ3 3.69Å; F814-V886 HydrophobicContact CE1-CG2 4.17Å; F814-V886 HydrophobicContact CZ-CG1 4.13Å; F814-V886 HydrophobicContact CZ-CG2 4Å; F814-M993 VanDerWaalsContact CA-CE 3.46Å; F814-M993 HydrophobicContact CB-CE 3.81Å; F814-M993 HydrophobicContact CD2-CE 4.46Å; F814-M993 HydrophobicContact CD2-CG 4.16Å; F814-M993 HydrophobicContact CD2-SD 4.24Å; F814-H994 HydrophobicContact CE2-CB 4.32Å; F814-H994 AromaticContact CE2-CD2 3.6Å; F814-H994 AromaticContact CE2-CE1 3.4Å; F814-H994 WeakPolarHBondContact CE2-CE1 3.26Å; F814-H994 AromaticContact CE2-CG 3.57Å; F814-H994 AromaticContact CE2-ND1 3.44Å; F814-H994 WeakPolarHBondContact CE2-ND1 3.23Å; F814-H994 AromaticContact CE2-NE2 3.48Å; F814-H994 WeakPolarHBondContact CE2-NE2 3.04Å; F814-H994 AromaticContact CZ-CE1 3.58Å; F814-H994 AromaticContact CZ-ND1 3.58Å; F814-I997 HydrophobicContact CB-CD1 3.87Å; F814-I997 HydrophobicContact CB-CG1 4.02Å; F814-I997 HydrophobicContact CD1-CD1 4.42Å; F814-I997 HydrophobicContact CD1-CG1 4.15Å; F814-I997 HydrophobicContact CD1-CG2 4.15Å; F814-I997 HydrophobicContact CD2-CD1 4.47Å; F814-I997 HydrophobicContact CD2-CG1 3.7Å; F814-I997 HydrophobicContact CE1-CG2 4.08Å; F814-I997 HydrophobicContact CE2-CG1 4.14Å; F814-I997 HydrophobicContact CG-CD1 4.02Å; F814-I997 HydrophobicContact CG-CG1 3.68Å; F814-I997 HydrophobicContact CZ-CG2 4.38Å |
| 815 | M | 84.6 | Confident | 76.3 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -40.9 | 179.5 | -76.9 | 174.3 | 12.9 | 0 | 0 | 112.7 | F790 Y793 L811 K812 Q817 M818 W836 I915 W1070 Q1071 | F790-M815 HydrophobicContact CD1-SD 4.33Å; F790-M815 HydrophobicContact CE1-SD 3.73Å; Y793-M815 HydrophobicContact CE1-CE 3.76Å; Y793-M815 WeakPolarHBondContact OH-CE 3.5Å; Y793-M815 PolarHBondContact OH-SD 3.43Å; L811-M815 HydrophobicContact CG-SD 4.2Å; L811-M815 WeakPolarHBondContact O-CB 3.5Å; L811-M815 VanDerWaalsContact O-CG 3.31Å; L811-M815 WeakPolarHBondContact O-CG 3.35Å; L811-M815 PolarHBondContact O-N 3.43Å; K812-M815 PolarHBondContact O-N 3.38Å; K812-M815 VanDerWaalsContact O-N 3.14Å; M815-Q817 PolarHBondContact O-N 2.91Å; M815-M818 WeakPolarHBondContact O-CB 3.41Å; M815-M818 PolarHBondContact O-N 3.1Å; M815-W836 HydrophobicContact CG-CH2 3.76Å; M815-W836 HydrophobicContact CG-CZ2 3.89Å; M815-I915 WeakPolarHBondContact O-CD1 3.44Å; M815-W1070 HydrophobicContact CG-CZ2 4.19Å; M815-W1070 HydrophobicContact SD-CH2 4.47Å; M815-W1070 HydrophobicContact SD-CZ2 3.75Å; M815-Q1071 HydrophobicContact CE-CG 4.42Å |
| 816 | D | 79.4 | Confident | 76.9 | Confident | 65 Ų | 65 | 36.8 Ų | 36.8 | 35% | 0.348 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.3 | -21.6 | 177.8 | -70.7 | -19.2 | 0 | 0 | 0 | 112.2 | K812 F814 | K812-D816 PolarHBondContact O-N 2.89Å; F814-D816 PolarHBondContact O-N 3.01Å |
| 817 | Q | 84.2 | Confident | 77 | Confident | 37 Ų | 37 | 38.7 Ų | 38.7 | 17% | 0.173 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -4.8 | 174.7 | -64.8 | 177.6 | 12.4 | 0 | 0 | 113.2 | S813 F814 M815 Y909 | S813-Q817 WeakPolarHBondContact O-CG 3.36Å; S813-Q817 PolarHBondContact O-N 3.22Å; F814-Q817 CarbonylContact O-C 3.54Å; F814-Q817 PolarHBondContact O-N 2.92Å; F814-Q817 VanDerWaalsContact O-N 3.12Å; M815-Q817 PolarHBondContact O-N 2.91Å; Q817-Y909 WeakPolarHBondContact O-CE2 3.43Å; Q817-Y909 PolarHBondContact O-OH 3Å |
| 818 | M | 88.7 | Confident | 76.9 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | trans | -68.4 | 148 | -178.6 | -82.1 | -68 | -86.2 | 0 | 0 | 112.1 | F814 M815 Y820 W836 V886 I915 | F814-M818 HydrophobicContact CD1-CG 4.18Å; F814-M818 HydrophobicContact CE1-CE 4.42Å; F814-M818 HydrophobicContact CE1-CG 3.87Å; F814-M818 HydrophobicContact CE1-SD 3.76Å; F814-M818 HydrophobicContact CZ-CG 4.33Å; F814-M818 HydrophobicContact CZ-SD 3.72Å; F814-M818 PolarHBondContact O-N 3.26Å; F814-M818 VanDerWaalsContact O-N 3.17Å; M815-M818 WeakPolarHBondContact O-CB 3.41Å; M815-M818 PolarHBondContact O-N 3.1Å; M818-Y820 HydrophobicContact CB-CE2 4.31Å; M818-W836 HydrophobicContact CE-CD2 3.91Å; M818-W836 HydrophobicContact CE-CG 3.97Å; M818-W836 HydrophobicContact CE-CZ2 4.11Å; M818-W836 HydrophobicContact CG-CZ2 3.98Å; M818-V886 HydrophobicContact CE-CG2 3.99Å; M818-I915 HydrophobicContact CB-CD1 4.26Å; M818-I915 WeakPolarHBondContact O-CG1 3.27Å | ||
| 819 | R | 90.5 | Very high | 77.6 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 2% | 0.023 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 142.5 | 176.1 | -70.1 | 178.5 | 172 | -100.5 | 5.8 | 110.8 | Y909 L910 G912 N913 I930 A931 R933 | R819-Y909 HydrophobicContact CB-CD2 4.3Å; R819-Y909 HydrophobicContact CB-CE2 4.07Å; R819-Y909 WeakPolarHBondContact CD-O 3.42Å; R819-Y909 HydrophobicContact CG-CD2 4.42Å; R819-Y909 HydrophobicContact CG-CE2 3.85Å; R819-L910 PolarHBondContact NH1-O 3.2Å; R819-G912 PolarHBondContact NH1-O 3.18Å; R819-N913 CarbonylContact C-O 3.51Å; R819-N913 WeakPolarHBondContact CA-O 3.3Å; R819-N913 WeakPolarHBondContact CB-O 3.47Å; R819-I930 PolarHBondContact NH2-O 2.73Å; R819-A931 PolarHBondContact NE-O 3.32Å; R819-A931 PolarHBondContact NH2-O 3.11Å; R819-R933 PolarHBondContact NH1-O 3.31Å; R819-R933 PolarHBondContact NH2-O 2.99Å |
| 820 | Y | 91.8 | Very high | 78.5 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 2% | 0.02 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 141 | -171.1 | -63.2 | -69.7 | 0 | 0 | 0 | 113.6 | M818 T834 W836 R882 I883 N913 I915 E1067 | M818-Y820 HydrophobicContact CB-CE2 4.31Å; Y820-T834 HydrophobicContact CE1-CG2 3.8Å; Y820-W836 AromaticContact CE1-CD1 3.88Å; Y820-W836 AromaticContact CE1-NE1 3.5Å; Y820-W836 AromaticContact CZ-NE1 3.78Å; Y820-W836 PolarHBondContact OH-NE1 3.46Å; Y820-R882 HydrophobicContact CD1-CB 4.46Å; Y820-R882 HydrophobicContact CD1-CG 4.27Å; Y820-R882 HydrophobicContact CG-CB 4.38Å; Y820-R882 HydrophobicContact CG-CG 4.39Å; Y820-I883 CarbonylContact C-O 3.55Å; Y820-I883 VanDerWaalsContact CA-O 3.32Å; Y820-I883 WeakPolarHBondContact CA-O 3.48Å; Y820-N913 PolarHBondContact N-O 3.38Å; Y820-N913 VanDerWaalsContact O-CB 3.31Å; Y820-N913 WeakPolarHBondContact O-CB 3.47Å; Y820-N913 PolarHBondContact O-N 3.33Å; Y820-I915 HydrophobicContact CD2-CD1 4.28Å; Y820-I915 HydrophobicContact CD2-CG1 3.93Å; Y820-I915 HydrophobicContact CE2-CD1 3.55Å; Y820-I915 HydrophobicContact CE2-CG1 3.71Å; Y820-E1067 WeakPolarHBondContact CE2-OE1 3.16Å; Y820-E1067 PolarHBondContact OH-OE1 3.39Å |
| 821 | F | 92.6 | Very high | 79.2 | Confident | 3 Ų | 3 | 35 Ų | 35 | 1% | 0.013 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133.8 | 164.5 | -64.8 | -85.5 | 0 | 0 | 0 | 109.8 | L869 L872 R882 I883 F885 L908 V911 R942 A945 | F821-L869 HydrophobicContact CB-CD2 4.09Å; F821-L869 HydrophobicContact CD1-CD2 4.2Å; F821-L869 HydrophobicContact CD2-CD2 3.95Å; F821-L869 HydrophobicContact CE2-CD2 4.44Å; F821-L869 HydrophobicContact CG-CD2 3.81Å; F821-L872 HydrophobicContact CB-CD2 3.59Å; F821-L872 WeakPolarHBondContact O-CD2 3.33Å; F821-R882 WeakPolarHBondContact O-CA 3.1Å; F821-I883 PolarHBondContact N-O 3.5Å; F821-I883 PolarHBondContact O-N 2.8Å; F821-F885 HydrophobicContact CD2-CD2 4.2Å; F821-F885 AromaticContact CD2-CE2 3.81Å; F821-F885 HydrophobicContact CD2-CE2 3.81Å; F821-F885 AromaticContact CE2-CD2 3.82Å; F821-F885 HydrophobicContact CE2-CD2 3.82Å; F821-F885 AromaticContact CE2-CE2 3.57Å; F821-F885 HydrophobicContact CE2-CE2 3.57Å; F821-L908 HydrophobicContact CZ-CD1 4.17Å; F821-L908 WeakPolarHBondContact CZ-O 3.39Å; F821-V911 HydrophobicContact CE1-CG2 3.99Å; F821-V911 HydrophobicContact CZ-CG2 3.83Å; F821-R942 HydrophobicContact CD1-CB 4.28Å; F821-A945 HydrophobicContact CE1-CB 3.74Å; F821-A945 HydrophobicContact CZ-CB 3.79Å |
| 822 | Q | 89.1 | Confident | 79.7 | Confident | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 171.2 | -178.5 | 61.6 | -170.3 | 40.8 | 0 | 0 | 114 | R882 Q938 R942 | Q822-R882 HydrophobicContact CB-CB 4.33Å; Q822-Q938 HydrophobicContact CG-CG 3.84Å; Q822-Q938 VanDerWaalsContact N-OE1 3.11Å; Q822-R942 PolarHBondContact O-NH1 2.85Å |
| 823 | K | 82.9 | Confident | 80.6 | Confident | 43 Ų | 43 | 33.6 Ų | 33.6 | 19% | 0.187 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -86.3 | 110.7 | 173.6 | -84 | -172.8 | 174.6 | 173.3 | 0 | 111.4 | R831 L872 S874 S877 | K823-R831 PolarHBondContact O-NH1 2.84Å; K823-R831 PolarHBondContact O-NH2 2.84Å; K823-L872 WeakPolarHBondContact CE-O 3.47Å; K823-L872 HydrophobicContact CG-CD1 4.42Å; K823-S874 WeakPolarHBondContact CE-O 3.48Å; K823-S874 PolarHBondContact NZ-O 3.28Å; K823-S877 WeakPolarHBondContact CE-OG 3.47Å; K823-S877 PolarHBondContact NZ-O 3.43Å; K823-S877 PolarHBondContact NZ-OG 3.34Å |
| 824 | G | 74.4 | Confident | 81.5 | Confident | 37 Ų | 37 | 31.8 Ų | 31.8 | 38% | 0.381 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 77.4 | 160.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 825 | D | 64.9 | Low | 82 | Confident | 64 Ų | 64 | 31.8 Ų | 31.8 | 34% | 0.342 | 19% | 0.185 | S | C | . | . | trans | -94.5 | 18.1 | -176.4 | -67.7 | -78.4 | 0 | 0 | 0 | 114.1 | E827 K934 Q938 | D825-E827 VanDerWaalsContact C-N 3.29Å; D825-E827 PolarHBondContact O-N 3.13Å; D825-K934 IonicContact OD1-NZ 2.75Å; D825-K934 PolarHBondContact OD1-NZ 3.22Å; D825-Q938 WeakPolarHBondContact OD1-CG 3.24Å; D825-Q938 PolarHBondContact OD1-N 2.94Å | ||
| 826 | L | 58.4 | Low | 82.5 | Confident | 114 Ų | 114 | 31.6 Ų | 31.6 | 60% | 0.597 | 18% | 0.184 | S | C | * | . | trans | -70.6 | 86.6 | 175.5 | -78.6 | 155.5 | 0 | 0 | 0 | 110 | A828 S829 | L826-A828 PolarHBondContact O-N 2.98Å; L826-A828 VanDerWaalsContact O-N 3.09Å; L826-S829 PolarHBondContact O-N 2.84Å; L826-S829 PolarHBondContact O-OG 3.18Å | ||
| 827 | E | 55.9 | Low | 83.4 | Confident | 105 Ų | 105 | 28.5 Ų | 28.5 | 49% | 0.491 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -19.5 | 171 | -66.7 | 178.4 | 176.8 | 0 | 0 | 112 | D825 S829 P1062 | D825-E827 VanDerWaalsContact C-N 3.29Å; D825-E827 PolarHBondContact O-N 3.13Å; E827-S829 PolarHBondContact O-N 3.47Å; E827-P1062 WeakPolarHBondContact O-CG 3.24Å |
| 828 | A | 59.4 | Low | 83.9 | Confident | 85 Ų | 85 | 26.7 Ų | 26.7 | 70% | 0.702 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | 7.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L826 P1062 | L826-A828 PolarHBondContact O-N 2.98Å; L826-A828 VanDerWaalsContact O-N 3.09Å; A828-P1062 VanDerWaalsContact C-CG 3.42Å |
| 829 | S | 76.4 | Confident | 84.2 | Confident | 41 Ų | 41 | 26.6 Ų | 26.6 | 29% | 0.287 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -119.5 | 129.6 | -173.1 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | L826 E827 R831 | L826-S829 PolarHBondContact O-N 2.84Å; L826-S829 PolarHBondContact O-OG 3.18Å; E827-S829 PolarHBondContact O-N 3.47Å; S829-R831 PolarHBondContact OG-NE 2.94Å |
| 830 | I | 84.6 | Confident | 84.2 | Confident | 31 Ų | 31 | 26.4 Ų | 26.4 | 16% | 0.159 | 16% | 0.158 | C | C | . | . | trans | -65.4 | 133.7 | 175.4 | -61.6 | 164.9 | 0 | 0 | 0 | 109.5 | P832 E1052 P1062 I1065 | I830-P832 WeakPolarHBondContact O-CD 3.38Å; I830-E1052 HydrophobicContact CD1-CB 3.85Å; I830-E1052 HydrophobicContact CD1-CG 4.07Å; I830-P1062 HydrophobicContact CG1-CB 4.2Å; I830-I1065 HydrophobicContact CD1-CB 4.41Å; I830-I1065 HydrophobicContact CD1-CD1 3.98Å; I830-I1065 HydrophobicContact CD1-CG2 3.87Å; I830-I1065 HydrophobicContact CG1-CB 4.22Å; I830-I1065 HydrophobicContact CG1-CD1 4.3Å; I830-I1065 HydrophobicContact CG1-CG2 4.05Å; I830-I1065 HydrophobicContact CG2-CG2 3.94Å | ||
| 831 | R | 88.6 | Confident | 84.1 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | trans | -112.1 | 90.1 | 179.2 | -58.9 | -66.8 | 174.4 | 137.8 | 6.7 | 108.9 | K823 S829 V833 K879 G880 R882 S1066 | K823-R831 PolarHBondContact O-NH1 2.84Å; K823-R831 PolarHBondContact O-NH2 2.84Å; S829-R831 PolarHBondContact OG-NE 2.94Å; R831-V833 PolarHBondContact O-N 3.42Å; R831-K879 WeakPolarHBondContact CD-O 3.31Å; R831-K879 PolarHBondContact NE-O 3.11Å; R831-K879 PolarHBondContact NH1-O 3.34Å; R831-G880 CarbonylContact C-O 3.59Å; R831-G880 VanDerWaalsContact C-O 3.29Å; R831-G880 VanDerWaalsContact CA-O 3.26Å; R831-G880 WeakPolarHBondContact CA-O 3.19Å; R831-G880 WeakPolarHBondContact CB-O 3.21Å; R831-R882 HydrophobicContact CB-CG 4.38Å; R831-S1066 PolarHBondContact N-OG 3Å; R831-S1066 WeakPolarHBondContact O-CB 3.28Å | ||
| 832 | P | 90.2 | Very high | 83.9 | Confident | 11 Ų | 11 | 26.1 Ų | 26.1 | 7% | 0.071 | 16% | 0.157 | C | C | . | . | trans | -69.7 | -14.8 | -173.2 | 26.9 | -35.6 | 0 | 0 | 0 | 114.4 | I830 G880 N1014 L1040 A1044 K1045 T1069 | I830-P832 WeakPolarHBondContact O-CD 3.38Å; P832-G880 WeakPolarHBondContact CD-O 3.45Å; P832-N1014 PolarHBondContact O-ND2 3.26Å; P832-L1040 HydrophobicContact CG-CD2 4.29Å; P832-A1044 HydrophobicContact CB-CB 4.24Å; P832-A1044 VanDerWaalsContact CB-O 3.25Å; P832-A1044 WeakPolarHBondContact CB-O 3.29Å; P832-K1045 HydrophobicContact CB-CB 4.48Å; P832-K1045 HydrophobicContact CG-CB 4.3Å; P832-T1069 HydrophobicContact CB-CG2 4.3Å | ||
| 833 | V | 94.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 117.5 | -178 | -173 | 0 | 0 | 0 | 0 | 110.6 | R831 M835 G880 L881 R882 E1036 A1039 L1040 | R831-V833 PolarHBondContact O-N 3.42Å; V833-M835 HydrophobicContact CG1-CE 4.13Å; V833-M835 HydrophobicContact CG1-CG 4.48Å; V833-G880 PolarHBondContact N-O 3.04Å; V833-L881 HydrophobicContact CB-CD1 4.15Å; V833-L881 HydrophobicContact CG1-CD1 3.69Å; V833-L881 WeakPolarHBondContact O-CA 3.13Å; V833-R882 PolarHBondContact O-N 2.92Å; V833-E1036 HydrophobicContact CG1-CG 4.39Å; V833-E1036 HydrophobicContact CG2-CG 4.46Å; V833-A1039 HydrophobicContact CG1-CB 4.08Å; V833-A1039 HydrophobicContact CG2-CB 4.12Å; V833-L1040 HydrophobicContact CG2-CD2 3.7Å; V833-L1040 HydrophobicContact CG2-CG 3.93Å |
| 834 | T | 94.5 | Very high | 83.7 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.4 | 175.9 | -51.8 | 0 | 0 | 0 | 0 | 109.3 | Y820 R882 N1014 W1070 | Y820-T834 HydrophobicContact CE1-CG2 3.8Å; T834-R882 HydrophobicContact CG2-CG 4.16Å; T834-R882 VanDerWaalsContact OG1-CZ 3.32Å; T834-R882 PolarHBondContact OG1-NE 2.76Å; T834-R882 PolarHBondContact OG1-NH2 2.81Å; T834-N1014 PolarHBondContact N-OD1 3.22Å; T834-N1014 PolarHBondContact O-N 2.73Å; T834-N1014 PolarHBondContact O-OD1 2.99Å; T834-W1070 HydrophobicContact CG2-CD2 4.21Å; T834-W1070 HydrophobicContact CG2-CE3 4.46Å; T834-W1070 HydrophobicContact CG2-CG 4.34Å |
| 835 | M | 96.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130.8 | 173.6 | -65.7 | -178.8 | -178.7 | 0 | 0 | 110.9 | V833 L881 R882 I883 G884 I1012 V1013 F1032 A1035 E1036 | V833-M835 HydrophobicContact CG1-CE 4.13Å; V833-M835 HydrophobicContact CG1-CG 4.48Å; M835-L881 HydrophobicContact CE-CD1 3.95Å; M835-L881 HydrophobicContact CG-CD1 3.86Å; M835-L881 HydrophobicContact SD-CD1 3.8Å; M835-R882 PolarHBondContact N-O 3Å; M835-I883 HydrophobicContact CB-CG1 4.41Å; M835-I883 CarbonylContact O-C 3.57Å; M835-I883 WeakPolarHBondContact O-CA 3.49Å; M835-G884 PolarHBondContact O-N 3.03Å; M835-I1012 CarbonylContact C-O 3.59Å; M835-I1012 WeakPolarHBondContact CA-O 3.42Å; M835-V1013 HydrophobicContact CE-CG1 4.17Å; M835-V1013 HydrophobicContact CG-CG1 4.38Å; M835-V1013 HydrophobicContact CG-CG2 4.33Å; M835-F1032 HydrophobicContact SD-CD1 3.9Å; M835-F1032 HydrophobicContact SD-CE1 4.5Å; M835-A1035 HydrophobicContact CE-CB 3.84Å; M835-E1036 HydrophobicContact CE-CB 3.79Å |
| 836 | W | 96.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.6 | 167.3 | -66.6 | -3.4 | 0 | 0 | 0 | 110 | I788 L811 F814 M815 M818 Y820 G884 V886 I1012 W1070 | I788-W836 HydrophobicContact CD1-CE3 4.32Å; I788-W836 HydrophobicContact CD1-CZ3 4.25Å; L811-W836 HydrophobicContact CD1-CH2 4.39Å; F814-W836 AromaticContact CD1-CH2 3.72Å; F814-W836 HydrophobicContact CD1-CH2 3.72Å; F814-W836 HydrophobicContact CD1-CZ3 4.11Å; F814-W836 HydrophobicContact CE1-CE3 4.38Å; F814-W836 AromaticContact CE1-CH2 3.61Å; F814-W836 HydrophobicContact CE1-CH2 3.61Å; F814-W836 HydrophobicContact CE1-CZ2 4.26Å; F814-W836 AromaticContact CE1-CZ3 3.69Å; F814-W836 HydrophobicContact CE1-CZ3 3.69Å; M815-W836 HydrophobicContact CG-CH2 3.76Å; M815-W836 HydrophobicContact CG-CZ2 3.89Å; M818-W836 HydrophobicContact CE-CD2 3.91Å; M818-W836 HydrophobicContact CE-CG 3.97Å; M818-W836 HydrophobicContact CE-CZ2 4.11Å; M818-W836 HydrophobicContact CG-CZ2 3.98Å; Y820-W836 AromaticContact CE1-CD1 3.88Å; Y820-W836 AromaticContact CE1-NE1 3.5Å; Y820-W836 AromaticContact CZ-NE1 3.78Å; Y820-W836 PolarHBondContact OH-NE1 3.46Å; W836-G884 CarbonylContact C-O 3.48Å; W836-G884 WeakPolarHBondContact CA-O 3.42Å; W836-V886 HydrophobicContact CB-CG2 4.03Å; W836-V886 HydrophobicContact CD2-CG2 4Å; W836-V886 HydrophobicContact CE3-CG2 3.71Å; W836-V886 HydrophobicContact CG-CG2 4.19Å; W836-V886 HydrophobicContact CZ3-CG2 4.41Å; W836-I1012 HydrophobicContact CB-CB 4.14Å; W836-I1012 HydrophobicContact CB-CD1 4.05Å; W836-I1012 PolarHBondContact N-O 2.85Å; W836-I1012 PolarHBondContact O-N 2.92Å; W836-W1070 HydrophobicContact CD2-CH2 4.09Å; W836-W1070 HydrophobicContact CD2-CZ3 4.44Å; W836-W1070 AromaticContact CE2-CH2 3.58Å; W836-W1070 HydrophobicContact CE3-CH2 4.24Å; W836-W1070 AromaticContact CH2-CH2 3.53Å; W836-W1070 HydrophobicContact CH2-CH2 3.53Å; W836-W1070 HydrophobicContact CH2-CZ2 4.03Å; W836-W1070 AromaticContact CZ2-CH2 3.31Å; W836-W1070 HydrophobicContact CZ2-CH2 3.31Å; W836-W1070 AromaticContact CZ2-CZ2 3.54Å; W836-W1070 HydrophobicContact CZ2-CZ2 3.54Å; W836-W1070 HydrophobicContact CZ2-CZ3 4.37Å; W836-W1070 AromaticContact CZ3-CH2 3.99Å; W836-W1070 HydrophobicContact CZ3-CH2 3.99Å |
| 837 | I | 96.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 117.6 | 179.2 | -46.8 | -57.7 | 0 | 0 | 0 | 108 | I839 L864 A868 I883 G884 F885 V886 V1011 F1032 | I837-I839 HydrophobicContact CG2-CG2 4.15Å; I837-L864 HydrophobicContact CG2-CD1 4.46Å; I837-L864 HydrophobicContact CG2-CD2 3.7Å; I837-L864 HydrophobicContact CG2-CG 3.63Å; I837-A868 HydrophobicContact CD1-CB 4.01Å; I837-A868 HydrophobicContact CG1-CB 3.96Å; I837-I883 HydrophobicContact CD1-CG2 4.29Å; I837-I883 HydrophobicContact CG1-CG2 3.65Å; I837-G884 PolarHBondContact N-O 2.86Å; I837-F885 HydrophobicContact CB-CD1 3.81Å; I837-F885 HydrophobicContact CB-CE1 3.88Å; I837-F885 HydrophobicContact CG1-CD1 4.48Å; I837-F885 HydrophobicContact CG1-CE1 4.23Å; I837-F885 HydrophobicContact CG2-CD1 4.27Å; I837-F885 HydrophobicContact CG2-CE1 4.09Å; I837-F885 WeakPolarHBondContact O-CA 3.2Å; I837-V886 PolarHBondContact O-N 3.38Å; I837-V1011 HydrophobicContact CD1-CG1 4.08Å; I837-V1011 HydrophobicContact CD1-CG2 4.05Å; I837-F1032 HydrophobicContact CD1-CE1 3.51Å; I837-F1032 HydrophobicContact CD1-CZ 3.89Å |
| 838 | V | 95.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 119.3 | 179 | -169.1 | 0 | 0 | 0 | 0 | 109.8 | V886 N888 I1002 L1004 A1010 I1012 | V838-V886 VanDerWaalsContact CA-O 3.28Å; V838-V886 WeakPolarHBondContact CA-O 3.46Å; V838-V886 HydrophobicContact CG2-CB 4.21Å; V838-N888 HydrophobicContact CG1-CB 3.61Å; V838-I1002 HydrophobicContact CG2-CD1 4.18Å; V838-L1004 HydrophobicContact CB-CD1 4.22Å; V838-L1004 HydrophobicContact CG1-CD1 3.8Å; V838-L1004 HydrophobicContact CG2-CD1 4.13Å; V838-A1010 HydrophobicContact CB-CB 4.41Å; V838-A1010 WeakPolarHBondContact CB-O 3.29Å; V838-A1010 HydrophobicContact CG2-CB 4.21Å; V838-A1010 PolarHBondContact N-O 3.45Å; V838-I1012 HydrophobicContact CG2-CD1 3.37Å |
| 839 | I | 94.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 162.9 | -179.3 | 53.9 | 172.8 | 0 | 0 | 0 | 111 | I837 L842 D861 L864 A865 F885 V886 Y887 N888 | I837-I839 HydrophobicContact CG2-CG2 4.15Å; I839-L842 HydrophobicContact CD1-CD2 4.43Å; I839-D861 HydrophobicContact CB-CB 4.03Å; I839-D861 HydrophobicContact CG2-CB 4.05Å; I839-L864 HydrophobicContact CG2-CD2 4.15Å; I839-A865 HydrophobicContact CD1-CB 4.39Å; I839-F885 HydrophobicContact CD1-CD1 3.75Å; I839-F885 HydrophobicContact CD1-CE1 4.22Å; I839-F885 HydrophobicContact CG1-CD1 4.26Å; I839-V886 PolarHBondContact N-O 3.3Å; I839-Y887 HydrophobicContact CD1-CD1 4.27Å; I839-Y887 HydrophobicContact CD1-CE1 3.83Å; I839-Y887 HydrophobicContact CG1-CD1 3.96Å; I839-Y887 HydrophobicContact CG1-CE1 4.02Å; I839-Y887 CarbonylContact O-C 3.5Å; I839-Y887 VanDerWaalsContact O-CA 3.26Å; I839-Y887 WeakPolarHBondContact O-CA 3.4Å; I839-N888 PolarHBondContact O-N 3.4Å |
| 840 | S | 90.5 | Very high | 86.6 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | trans | -70.3 | 176.7 | 171.2 | -166.6 | 0 | 0 | 0 | 0 | 112.3 | L842 Q844 D861 | S840-L842 PolarHBondContact O-N 3.01Å; S840-Q844 PolarHBondContact OG-NE2 3.09Å; S840-Q844 PolarHBondContact OG-OE1 2.85Å; S840-Q844 VanDerWaalsContact OG-OE1 3.07Å; S840-D861 WeakPolarHBondContact CB-OD2 3.29Å; S840-D861 PolarHBondContact N-OD1 3.06Å; S840-D861 PolarHBondContact N-OD2 2.89Å; S840-D861 VanDerWaalsContact N-OD2 3.14Å | ||
| 841 | D | 89 | Confident | 86.3 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | trans | -70.6 | 119.1 | 171.9 | -178 | 12.3 | 0 | 0 | 0 | 111.2 | D843 Q844 P889 T905 R987 M991 | D841-D843 PolarHBondContact O-N 2.76Å; D841-D843 WeakPolarHBondContact OD1-CB 3.28Å; D841-D843 PolarHBondContact OD1-N 3.3Å; D841-D843 VanDerWaalsContact OD1-N 3.1Å; D841-Q844 HydrophobicContact CB-CG 4.21Å; D841-Q844 WeakPolarHBondContact O-CB 3.25Å; D841-Q844 VanDerWaalsContact O-CG 3.29Å; D841-Q844 WeakPolarHBondContact O-CG 3.34Å; D841-Q844 PolarHBondContact O-N 3.24Å; D841-P889 HydrophobicContact CB-CB 4.04Å; D841-T905 WeakPolarHBondContact OD1-CB 3.29Å; D841-T905 PolarHBondContact OD1-OG1 3.49Å; D841-R987 IonicContact OD2-CZ 2.73Å; D841-R987 IonicContact OD2-NH2 3.06Å; D841-R987 PolarHBondContact OD2-NH2 3.2Å; D841-M991 HydrophobicContact CB-CE 3.66Å | ||
| 842 | L | 88.9 | Confident | 85.9 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -69 | -23.1 | -178.8 | -59.2 | 179.5 | 0 | 0 | 0 | 112.7 | I839 S840 Q844 I845 L858 L904 T905 L908 I952 | I839-L842 HydrophobicContact CD1-CD2 4.43Å; S840-L842 PolarHBondContact O-N 3.01Å; L842-Q844 PolarHBondContact O-N 3.29Å; L842-Q844 VanDerWaalsContact O-N 3.17Å; L842-I845 WeakPolarHBondContact O-CG2 3.29Å; L842-I845 PolarHBondContact O-N 3.23Å; L842-L858 HydrophobicContact CD2-CD1 4.1Å; L842-L904 HydrophobicContact CB-CB 4.13Å; L842-T905 PolarHBondContact N-OG1 3.39Å; L842-L908 HydrophobicContact CD1-CD2 3.54Å; L842-I952 HydrophobicContact CB-CD1 4.45Å; L842-I952 HydrophobicContact CD1-CD1 4.11Å |
| 843 | D | 86.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -68 | -10.3 | 177.2 | -68.7 | -45.6 | 0 | 0 | 0 | 112.6 | D841 I845 F846 H902 W903 L904 T905 R987 | D841-D843 PolarHBondContact O-N 2.76Å; D841-D843 WeakPolarHBondContact OD1-CB 3.28Å; D841-D843 PolarHBondContact OD1-N 3.3Å; D841-D843 VanDerWaalsContact OD1-N 3.1Å; D843-I845 PolarHBondContact O-N 3.41Å; D843-I845 VanDerWaalsContact O-N 3.15Å; D843-F846 HydrophobicContact CB-CD2 4.36Å; D843-F846 WeakPolarHBondContact O-CD2 3.42Å; D843-F846 PolarHBondContact O-N 2.7Å; D843-F846 VanDerWaalsContact O-N 3.1Å; D843-H902 HydrophobicContact CB-CB 4.01Å; D843-H902 WeakPolarHBondContact OD1-CA 3.17Å; D843-W903 PolarHBondContact OD1-N 3.45Å; D843-L904 WeakPolarHBondContact OD1-CB 3.34Å; D843-L904 PolarHBondContact OD1-N 3.35Å; D843-T905 PolarHBondContact N-OG1 2.98Å; D843-R987 IonicContact OD2-NE 2.62Å; D843-R987 PolarHBondContact OD2-NE 3.46Å |
| 844 | Q | 81.8 | Confident | 84.6 | Confident | 13 Ų | 13 | 42.7 Ų | 42.7 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -59.3 | -21.2 | 172.9 | -73.5 | 177.2 | 0.3 | 0 | 0 | 113.1 | S840 D841 L842 F846 D847 L850 I893 | S840-Q844 PolarHBondContact OG-NE2 3.09Å; S840-Q844 PolarHBondContact OG-OE1 2.85Å; S840-Q844 VanDerWaalsContact OG-OE1 3.07Å; D841-Q844 HydrophobicContact CB-CG 4.21Å; D841-Q844 WeakPolarHBondContact O-CB 3.25Å; D841-Q844 VanDerWaalsContact O-CG 3.29Å; D841-Q844 WeakPolarHBondContact O-CG 3.34Å; D841-Q844 PolarHBondContact O-N 3.24Å; L842-Q844 PolarHBondContact O-N 3.29Å; L842-Q844 VanDerWaalsContact O-N 3.17Å; Q844-F846 PolarHBondContact O-N 3.13Å; Q844-D847 WeakPolarHBondContact O-CB 3.37Å; Q844-D847 PolarHBondContact O-N 3.26Å; Q844-D847 VanDerWaalsContact O-N 3.07Å; Q844-L850 HydrophobicContact CB-CD1 4.19Å; Q844-I893 HydrophobicContact CG-CD1 4.12Å |
| 845 | I | 83.1 | Confident | 84 | Confident | 29 Ų | 29 | 45.9 Ų | 45.9 | 15% | 0.149 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -60.5 | -26.3 | 175.1 | -162.8 | 166.8 | 0 | 0 | 0 | 113.1 | L842 D843 D847 L858 L904 I952 I956 | L842-I845 WeakPolarHBondContact O-CG2 3.29Å; L842-I845 PolarHBondContact O-N 3.23Å; D843-I845 PolarHBondContact O-N 3.41Å; D843-I845 VanDerWaalsContact O-N 3.15Å; I845-D847 VanDerWaalsContact C-N 3.29Å; I845-L858 HydrophobicContact CB-CD2 3.98Å; I845-L858 HydrophobicContact CG1-CD2 4.46Å; I845-L904 HydrophobicContact CG2-CD1 3.57Å; I845-I952 HydrophobicContact CD1-CG2 3.92Å; I845-I956 HydrophobicContact CD1-CD1 4.36Å; I845-I956 HydrophobicContact CD1-CG1 3.66Å; I845-I956 HydrophobicContact CG1-CG1 4.35Å |
| 846 | F | 81 | Confident | 83.4 | Confident | 73 Ų | 73 | 48.9 Ų | 48.9 | 32% | 0.32 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -82.3 | -6.2 | 179.4 | -58.5 | -61.6 | 0 | 0 | 0 | 113.1 | D843 Q844 S848 D901 L904 M962 | D843-F846 HydrophobicContact CB-CD2 4.36Å; D843-F846 WeakPolarHBondContact O-CD2 3.42Å; D843-F846 PolarHBondContact O-N 2.7Å; D843-F846 VanDerWaalsContact O-N 3.1Å; Q844-F846 PolarHBondContact O-N 3.13Å; F846-S848 PolarHBondContact O-N 2.68Å; F846-D901 VanDerWaalsContact CD2-O 3.29Å; F846-D901 WeakPolarHBondContact CD2-O 3.41Å; F846-D901 WeakPolarHBondContact CE2-O 3.34Å; F846-D901 WeakPolarHBondContact CZ-O 3.45Å; F846-L904 HydrophobicContact CD2-CD1 4.44Å; F846-L904 HydrophobicContact CE2-CD1 3.47Å; F846-L904 VanDerWaalsContact CE2-CD1 3.47Å; F846-L904 HydrophobicContact CE2-CG 3.77Å; F846-L904 HydrophobicContact CZ-CD1 3.63Å; F846-L904 HydrophobicContact CZ-CG 3.95Å; F846-M962 HydrophobicContact CZ-SD 4.38Å |
| 847 | D | 76.2 | Confident | 82.9 | Confident | 75 Ų | 75 | 50.8 Ų | 50.8 | 40% | 0.401 | 26% | 0.261 | S | S | . | . | trans | -75 | 110.5 | 174.9 | -166.3 | -14.7 | 0 | 0 | 0 | 110.4 | Q844 I845 N849 L850 | Q844-D847 WeakPolarHBondContact O-CB 3.37Å; Q844-D847 PolarHBondContact O-N 3.26Å; Q844-D847 VanDerWaalsContact O-N 3.07Å; I845-D847 VanDerWaalsContact C-N 3.29Å; D847-N849 PolarHBondContact O-N 2.61Å; D847-N849 VanDerWaalsContact O-N 3.08Å; D847-N849 PolarHBondContact OD1-N 2.69Å; D847-N849 VanDerWaalsContact OD1-N 3.16Å; D847-L850 HydrophobicContact CB-CD1 4.21Å; D847-L850 PolarHBondContact O-N 3.45Å | ||
| 848 | S | 67.9 | Low | 82.4 | Confident | 112 Ų | 112 | 50.9 Ų | 50.9 | 78% | 0.783 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -18.3 | -179.2 | 54.5 | 0 | 0 | 0 | 0 | 114.7 | F846 | F846-S848 PolarHBondContact O-N 2.68Š|
| 849 | N | 70.2 | Confident | 82.2 | Confident | 138 Ų | 138 | 53.2 Ų | 53.2 | 74% | 0.738 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | 29.8 | -177.9 | -73.5 | -29.6 | 0 | 0 | 0 | 113.4 | D847 P851 | D847-N849 PolarHBondContact O-N 2.61Å; D847-N849 VanDerWaalsContact O-N 3.08Å; D847-N849 PolarHBondContact OD1-N 2.69Å; D847-N849 VanDerWaalsContact OD1-N 3.16Å; N849-P851 VanDerWaalsContact O-CD 3.3Å; N849-P851 WeakPolarHBondContact O-CD 3.09Å |
| 850 | L | 71.3 | Confident | 82 | Confident | 29 Ų | 29 | 53.9 Ų | 53.9 | 15% | 0.152 | 28% | 0.276 | C | S | . | . | trans | -67.7 | 120.6 | -178.2 | -154.9 | 78.1 | 0 | 0 | 0 | 111.8 | Q844 D847 H854 R855 | Q844-L850 HydrophobicContact CB-CD1 4.19Å; D847-L850 HydrophobicContact CB-CD1 4.21Å; D847-L850 PolarHBondContact O-N 3.45Å; L850-H854 HydrophobicContact CD1-CB 4.15Å; L850-H854 HydrophobicContact CD2-CB 4.17Å; L850-H854 HydrophobicContact CG-CB 3.83Å; L850-R855 HydrophobicContact CB-CG 4.48Å; L850-R855 HydrophobicContact CD2-CG 3.84Å; L850-R855 HydrophobicContact CG-CG 4.49Å | ||
| 851 | P | 78.4 | Confident | 82.1 | Confident | 66 Ų | 66 | 53.9 Ų | 53.9 | 43% | 0.429 | 28% | 0.276 | S | S | . | . | trans | -57.2 | 149.8 | 175.5 | -23.8 | 33.3 | 0 | 0 | 0 | 113 | N849 E853 H854 R855 | N849-P851 VanDerWaalsContact O-CD 3.3Å; N849-P851 WeakPolarHBondContact O-CD 3.09Å; P851-E853 VanDerWaalsContact C-N 3.3Å; P851-E853 PolarHBondContact O-N 3.13Å; P851-H854 WeakPolarHBondContact O-CB 3.2Å; P851-H854 PolarHBondContact O-N 3.25Å; P851-R855 PolarHBondContact O-N 2.84Å | ||
| 852 | E | 80 | Confident | 82.4 | Confident | 148 Ų | 148 | 53.8 Ų | 53.8 | 69% | 0.692 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -52.2 | -45.2 | 177 | -92.6 | -88.8 | 137.1 | 0 | 0 | 112.5 | H854 R855 L856 | E852-H854 VanDerWaalsContact C-N 3.28Å; E852-H854 PolarHBondContact O-N 3.28Å; E852-R855 WeakPolarHBondContact O-CB 3.26Å; E852-R855 PolarHBondContact O-N 2.94Å; E852-R855 VanDerWaalsContact O-N 3.15Å; E852-L856 PolarHBondContact O-N 3.29Å |
| 853 | E | 77.9 | Confident | 82.6 | Confident | 160 Ų | 160 | 55 Ų | 55 | 75% | 0.748 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -57 | -41.3 | 176.4 | -73.9 | -177.5 | 159.2 | 0 | 0 | 112.2 | P851 L856 Q857 | P851-E853 VanDerWaalsContact C-N 3.3Å; P851-E853 PolarHBondContact O-N 3.13Å; E853-L856 PolarHBondContact O-N 3.17Å; E853-Q857 PolarHBondContact O-N 2.75Å |
| 854 | H | 78.8 | Confident | 83 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 22% | 0.222 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.8 | -33.9 | 178.9 | -66 | -177.9 | 0 | 0 | 0 | 112.1 | L850 P851 E852 L856 Q857 L858 L890 | L850-H854 HydrophobicContact CD1-CB 4.15Å; L850-H854 HydrophobicContact CD2-CB 4.17Å; L850-H854 HydrophobicContact CG-CB 3.83Å; P851-H854 WeakPolarHBondContact O-CB 3.2Å; P851-H854 PolarHBondContact O-N 3.25Å; E852-H854 VanDerWaalsContact C-N 3.28Å; E852-H854 PolarHBondContact O-N 3.28Å; H854-L856 VanDerWaalsContact C-N 3.29Å; H854-L856 PolarHBondContact O-N 3Å; H854-Q857 PolarHBondContact O-N 2.96Å; H854-L858 WeakPolarHBondContact O-CB 3.49Å; H854-L858 PolarHBondContact O-N 3.44Å; H854-L890 VanDerWaalsContact CE1-CD2 3.5Å; H854-L890 WeakPolarHBondContact CE1-CD2 3.5Å |
| 855 | R | 81.9 | Confident | 83.6 | Confident | 69 Ų | 69 | 54.5 Ų | 54.5 | 26% | 0.26 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 170.7 | -76.2 | -176.6 | 75.4 | 101.5 | -6.8 | 111 | L850 P851 E852 L858 Q859 I956 S959 | L850-R855 HydrophobicContact CB-CG 4.48Å; L850-R855 HydrophobicContact CD2-CG 3.84Å; L850-R855 HydrophobicContact CG-CG 4.49Å; P851-R855 PolarHBondContact O-N 2.84Å; E852-R855 WeakPolarHBondContact O-CB 3.26Å; E852-R855 PolarHBondContact O-N 2.94Å; E852-R855 VanDerWaalsContact O-N 3.15Å; R855-L858 PolarHBondContact O-N 3.37Å; R855-Q859 WeakPolarHBondContact O-CB 3.26Å; R855-Q859 PolarHBondContact O-N 3.12Å; R855-I956 PolarHBondContact NH2-O 3.49Å; R855-S959 PolarHBondContact NH2-OG 3.39Å |
| 856 | L | 84.3 | Confident | 84.2 | Confident | 62 Ų | 62 | 54.4 Ų | 54.4 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.4 | -40.8 | 179.4 | -128.7 | 146.6 | 0 | 0 | 0 | 111.3 | E852 E853 H854 Q859 M860 F1024 | E852-L856 PolarHBondContact O-N 3.29Å; E853-L856 PolarHBondContact O-N 3.17Å; H854-L856 VanDerWaalsContact C-N 3.29Å; H854-L856 PolarHBondContact O-N 3Å; L856-Q859 WeakPolarHBondContact O-CB 3.46Å; L856-Q859 PolarHBondContact O-N 3.26Å; L856-M860 HydrophobicContact CD2-CE 4.46Å; L856-M860 VanDerWaalsContact O-CG 3.3Å; L856-M860 WeakPolarHBondContact O-CG 2.95Å; L856-M860 PolarHBondContact O-N 3.12Å; L856-F1024 HydrophobicContact CD1-CE1 4.46Å; L856-F1024 HydrophobicContact CD2-CD1 3.73Å; L856-F1024 HydrophobicContact CD2-CE1 3.49Å; L856-F1024 VanDerWaalsContact CD2-CE1 3.49Å; L856-F1024 HydrophobicContact CG-CE1 4.39Å |
| 857 | Q | 85.1 | Confident | 84.9 | Confident | 41 Ų | 41 | 52.6 Ų | 52.6 | 19% | 0.192 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 172 | -172.8 | 173 | 10.9 | 0 | 0 | 112.1 | E853 H854 Q859 M860 D861 G1007 | E853-Q857 PolarHBondContact O-N 2.75Å; H854-Q857 PolarHBondContact O-N 2.96Å; Q857-Q859 VanDerWaalsContact C-N 3.28Å; Q857-Q859 PolarHBondContact O-N 3.49Å; Q857-M860 CarbonylContact O-C 3.58Å; Q857-M860 WeakPolarHBondContact O-CA 3.48Å; Q857-M860 WeakPolarHBondContact O-CB 3.31Å; Q857-M860 PolarHBondContact O-N 2.95Å; Q857-D861 PolarHBondContact O-N 3.22Å; Q857-G1007 VanDerWaalsContact NE2-C 3.31Å; Q857-G1007 PolarHBondContact NE2-O 2.96Å |
| 858 | L | 87.7 | Confident | 85.9 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62 | -36.6 | 176.4 | -175.3 | 67.8 | 0 | 0 | 0 | 112 | L842 I845 H854 R855 M860 D861 C862 I956 | L842-L858 HydrophobicContact CD2-CD1 4.1Å; I845-L858 HydrophobicContact CB-CD2 3.98Å; I845-L858 HydrophobicContact CG1-CD2 4.46Å; H854-L858 WeakPolarHBondContact O-CB 3.49Å; H854-L858 PolarHBondContact O-N 3.44Å; R855-L858 PolarHBondContact O-N 3.37Å; L858-M860 VanDerWaalsContact C-N 3.34Å; L858-D861 WeakPolarHBondContact O-CB 2.94Å; L858-D861 PolarHBondContact O-N 2.96Å; L858-C862 PolarHBondContact O-N 3.26Å; L858-C862 PolarHBondContact O-SG 2.87Å; L858-I956 HydrophobicContact CB-CD1 4.4Å; L858-I956 HydrophobicContact CD2-CD1 3.72Å; L858-I956 HydrophobicContact CD2-CG1 4.31Å; L858-I956 HydrophobicContact CG-CD1 3.79Å |
| 859 | Q | 90.8 | Very high | 87.1 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 23% | 0.229 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 172.7 | -176.9 | -177.9 | -19 | 0 | 0 | 111.3 | R855 L856 Q857 C862 N863 L953 I956 | R855-Q859 WeakPolarHBondContact O-CB 3.26Å; R855-Q859 PolarHBondContact O-N 3.12Å; L856-Q859 WeakPolarHBondContact O-CB 3.46Å; L856-Q859 PolarHBondContact O-N 3.26Å; Q857-Q859 VanDerWaalsContact C-N 3.28Å; Q857-Q859 PolarHBondContact O-N 3.49Å; Q859-C862 PolarHBondContact O-N 3.11Å; Q859-N863 WeakPolarHBondContact O-CB 3.48Å; Q859-N863 PolarHBondContact O-N 3.4Å; Q859-L953 HydrophobicContact CG-CD2 3.96Å; Q859-I956 HydrophobicContact CB-CG2 4.34Å |
| 860 | M | 91.4 | Very high | 88.2 | Confident | 14 Ų | 14 | 38.8 Ų | 38.8 | 7% | 0.069 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.1 | -35.1 | 177.8 | -69.7 | -61.2 | 117.5 | 0 | 0 | 112.5 | L856 Q857 L858 L864 R1009 E1026 | L856-M860 HydrophobicContact CD2-CE 4.46Å; L856-M860 VanDerWaalsContact O-CG 3.3Å; L856-M860 WeakPolarHBondContact O-CG 2.95Å; L856-M860 PolarHBondContact O-N 3.12Å; Q857-M860 CarbonylContact O-C 3.58Å; Q857-M860 WeakPolarHBondContact O-CA 3.48Å; Q857-M860 WeakPolarHBondContact O-CB 3.31Å; Q857-M860 PolarHBondContact O-N 2.95Å; L858-M860 VanDerWaalsContact C-N 3.34Å; M860-L864 WeakPolarHBondContact O-CB 3.13Å; M860-L864 PolarHBondContact O-N 3.41Å; M860-R1009 PolarHBondContact O-NH1 2.98Å; M860-E1026 HydrophobicContact SD-CG 4.18Å |
| 861 | D | 92.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62 | -48.8 | 170.2 | -74.1 | -37.1 | 0 | 0 | 0 | 112 | I839 S840 Q857 L858 N863 L864 A865 R1009 | I839-D861 HydrophobicContact CB-CB 4.03Å; I839-D861 HydrophobicContact CG2-CB 4.05Å; S840-D861 WeakPolarHBondContact CB-OD2 3.29Å; S840-D861 PolarHBondContact N-OD1 3.06Å; S840-D861 PolarHBondContact N-OD2 2.89Å; S840-D861 VanDerWaalsContact N-OD2 3.14Å; Q857-D861 PolarHBondContact O-N 3.22Å; L858-D861 WeakPolarHBondContact O-CB 2.94Å; L858-D861 PolarHBondContact O-N 2.96Å; D861-N863 VanDerWaalsContact C-N 3.32Å; D861-N863 PolarHBondContact O-N 2.95Å; D861-L864 PolarHBondContact O-N 2.64Å; D861-A865 PolarHBondContact O-N 2.68Å; D861-R1009 WeakPolarHBondContact OD1-CD 3.43Å; D861-R1009 WeakPolarHBondContact OD1-CG 3.43Å |
| 862 | C | 93.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.9 | -39.7 | 178.5 | -67.4 | 0 | 0 | 0 | 0 | 111.6 | L858 Q859 A865 L866 I949 I952 L953 | L858-C862 PolarHBondContact O-N 3.26Å; L858-C862 PolarHBondContact O-SG 2.87Å; Q859-C862 PolarHBondContact O-N 3.11Å; C862-A865 PolarHBondContact O-N 2.77Å; C862-L866 WeakPolarHBondContact O-CB 3.2Å; C862-L866 PolarHBondContact O-N 3.01Å; C862-I949 HydrophobicContact CB-CG2 4.06Å; C862-I949 WeakPolarHBondContact O-CG2 3.46Å; C862-I952 VanDerWaalsContact SG-CG2 3.58Å; C862-L953 HydrophobicContact CB-CD1 3.66Å; C862-L953 HydrophobicContact CB-CG 3.71Å |
| 863 | N | 94.3 | Very high | 90.4 | Very high | 27 Ų | 27 | 33.3 Ų | 33.3 | 14% | 0.144 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 174.8 | -80 | -12.1 | 0 | 0 | 0 | 111.4 | Q859 D861 L866 N867 L953 | Q859-N863 WeakPolarHBondContact O-CB 3.48Å; Q859-N863 PolarHBondContact O-N 3.4Å; D861-N863 VanDerWaalsContact C-N 3.32Å; D861-N863 PolarHBondContact O-N 2.95Å; N863-L866 PolarHBondContact O-N 2.97Å; N863-N867 WeakPolarHBondContact O-CB 3.27Å; N863-N867 PolarHBondContact O-N 3.27Å; N863-N867 PolarHBondContact O-ND2 3.31Å; N863-L953 WeakPolarHBondContact OD1-CD2 3.36Å |
| 864 | L | 95.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.7 | -48.8 | 177.7 | 179.2 | 63.9 | 0 | 0 | 0 | 111.5 | I837 I839 M860 D861 L866 N867 A868 R1009 V1011 F1021 F1027 F1032 | I837-L864 HydrophobicContact CG2-CD1 4.46Å; I837-L864 HydrophobicContact CG2-CD2 3.7Å; I837-L864 HydrophobicContact CG2-CG 3.63Å; I839-L864 HydrophobicContact CG2-CD2 4.15Å; M860-L864 WeakPolarHBondContact O-CB 3.13Å; M860-L864 PolarHBondContact O-N 3.41Å; D861-L864 PolarHBondContact O-N 2.64Å; L864-L866 PolarHBondContact O-N 2.96Å; L864-N867 PolarHBondContact O-N 3Å; L864-A868 PolarHBondContact O-N 3.18Å; L864-R1009 HydrophobicContact CD2-CB 4.42Å; L864-V1011 HydrophobicContact CD1-CG2 3.94Å; L864-F1021 HydrophobicContact CD1-CE2 4.32Å; L864-F1021 HydrophobicContact CD2-CE2 4.29Å; L864-F1027 HydrophobicContact CD1-CB 3.64Å; L864-F1027 HydrophobicContact CD1-CD1 4.43Å; L864-F1027 HydrophobicContact CD1-CG 4.34Å; L864-F1032 HydrophobicContact CD1-CE2 4.44Å; L864-F1032 HydrophobicContact CD1-CZ 3.98Å |
| 865 | A | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.5 | -40.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I839 D861 C862 A868 L869 F885 I949 | I839-A865 HydrophobicContact CD1-CB 4.39Å; D861-A865 PolarHBondContact O-N 2.68Å; C862-A865 PolarHBondContact O-N 2.77Å; A865-A868 PolarHBondContact O-N 3.17Å; A865-L869 WeakPolarHBondContact O-CG 3.14Å; A865-L869 PolarHBondContact O-N 3.25Å; A865-L869 VanDerWaalsContact O-N 3.11Å; A865-F885 HydrophobicContact CB-CE1 3.6Å; A865-F885 HydrophobicContact CB-CZ 4.06Å; A865-I949 HydrophobicContact CB-CD1 3.75Å |
| 866 | L | 95.6 | Very high | 91.2 | Very high | 27 Ų | 27 | 32 Ų | 32 | 14% | 0.141 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 177 | -175.9 | 62.6 | 0 | 0 | 0 | 111.5 | C862 N863 L864 A868 L869 T870 I946 I949 K950 L953 | C862-L866 WeakPolarHBondContact O-CB 3.2Å; C862-L866 PolarHBondContact O-N 3.01Å; N863-L866 PolarHBondContact O-N 2.97Å; L864-L866 PolarHBondContact O-N 2.96Å; L866-A868 VanDerWaalsContact C-N 3.33Å; L866-A868 PolarHBondContact O-N 2.73Å; L866-L869 PolarHBondContact O-N 3.15Å; L866-T870 HydrophobicContact CD1-CG2 3.95Å; L866-T870 HydrophobicContact CG-CG2 4.22Å; L866-T870 VanDerWaalsContact O-CB 3.31Å; L866-T870 WeakPolarHBondContact O-CB 3.47Å; L866-T870 VanDerWaalsContact O-CG2 3.22Å; L866-T870 WeakPolarHBondContact O-CG2 3.44Å; L866-T870 PolarHBondContact O-N 3.15Å; L866-T870 PolarHBondContact O-OG1 3.32Å; L866-I946 HydrophobicContact CD1-CG2 4.09Å; L866-I949 HydrophobicContact CB-CG2 3.91Å; L866-K950 HydrophobicContact CD1-CG 3.95Å; L866-K950 HydrophobicContact CD2-CG 4.29Å; L866-L953 HydrophobicContact CD2-CD1 4.01Å |
| 867 | N | 95.4 | Very high | 91.3 | Very high | 34 Ų | 34 | 29.2 Ų | 29.2 | 18% | 0.182 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.5 | -41.5 | 177.6 | -73.4 | -21 | 0 | 0 | 0 | 111.4 | N863 L864 T870 F871 F1027 F1032 | N863-N867 WeakPolarHBondContact O-CB 3.27Å; N863-N867 PolarHBondContact O-N 3.27Å; N863-N867 PolarHBondContact O-ND2 3.31Å; L864-N867 PolarHBondContact O-N 3Å; N867-T870 WeakPolarHBondContact CA-OG1 3.42Å; N867-T870 PolarHBondContact O-OG1 3.42Å; N867-T870 VanDerWaalsContact O-OG1 3.05Å; N867-F871 WeakPolarHBondContact O-CB 3.42Å; N867-F871 PolarHBondContact O-N 3.1Å; N867-F1027 PolarHBondContact ND2-O 3.32Å; N867-F1032 HydrophobicContact CB-CD2 4.31Å; N867-F1032 HydrophobicContact CB-CE2 3.84Å |
| 868 | A | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.6 | -50.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I837 L864 A865 L866 F871 L872 I883 F1032 | I837-A868 HydrophobicContact CD1-CB 4.01Å; I837-A868 HydrophobicContact CG1-CB 3.96Å; L864-A868 PolarHBondContact O-N 3.18Å; A865-A868 PolarHBondContact O-N 3.17Å; L866-A868 VanDerWaalsContact C-N 3.33Å; L866-A868 PolarHBondContact O-N 2.73Å; A868-F871 PolarHBondContact O-N 2.83Å; A868-L872 PolarHBondContact O-N 3.25Å; A868-I883 HydrophobicContact CB-CD1 4.21Å; A868-I883 HydrophobicContact CB-CG2 4.46Å; A868-I883 WeakPolarHBondContact O-CD1 3.47Å; A868-F1032 HydrophobicContact CB-CE1 3.94Å; A868-F1032 HydrophobicContact CB-CE2 3.9Å; A868-F1032 HydrophobicContact CB-CZ 3.54Å |
| 869 | L | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.4 | -34.3 | -177.5 | -69.8 | 168.7 | 0 | 0 | 0 | 113 | F821 A865 L866 L872 R873 F885 A945 I946 I949 | F821-L869 HydrophobicContact CB-CD2 4.09Å; F821-L869 HydrophobicContact CD1-CD2 4.2Å; F821-L869 HydrophobicContact CD2-CD2 3.95Å; F821-L869 HydrophobicContact CE2-CD2 4.44Å; F821-L869 HydrophobicContact CG-CD2 3.81Å; A865-L869 WeakPolarHBondContact O-CG 3.14Å; A865-L869 PolarHBondContact O-N 3.25Å; A865-L869 VanDerWaalsContact O-N 3.11Å; L866-L869 PolarHBondContact O-N 3.15Å; L869-L872 PolarHBondContact O-N 2.89Å; L869-R873 PolarHBondContact O-N 3.32Å; L869-R873 VanDerWaalsContact O-N 3.11Å; L869-F885 HydrophobicContact CD1-CE2 4.43Å; L869-F885 HydrophobicContact CD1-CZ 4.12Å; L869-F885 HydrophobicContact CD2-CE2 4.34Å; L869-F885 HydrophobicContact CD2-CZ 4.43Å; L869-F885 HydrophobicContact CG-CE2 4.48Å; L869-F885 HydrophobicContact CG-CZ 4.12Å; L869-A945 HydrophobicContact CD1-CB 3.77Å; L869-I946 HydrophobicContact CB-CD1 4.28Å; L869-I946 HydrophobicContact CB-CG1 3.69Å; L869-I946 HydrophobicContact CD1-CG1 4.39Å; L869-I949 HydrophobicContact CD1-CD1 3.47Å; L869-I949 VanDerWaalsContact CD1-CD1 3.47Å |
| 870 | T | 93.6 | Very high | 91.1 | Very high | 35 Ų | 35 | 35.6 Ų | 35.6 | 22% | 0.215 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.3 | -39.7 | 175 | 51.8 | 0 | 0 | 0 | 0 | 111.4 | L866 N867 R873 S874 | L866-T870 HydrophobicContact CD1-CG2 3.95Å; L866-T870 HydrophobicContact CG-CG2 4.22Å; L866-T870 VanDerWaalsContact O-CB 3.31Å; L866-T870 WeakPolarHBondContact O-CB 3.47Å; L866-T870 VanDerWaalsContact O-CG2 3.22Å; L866-T870 WeakPolarHBondContact O-CG2 3.44Å; L866-T870 PolarHBondContact O-N 3.15Å; L866-T870 PolarHBondContact O-OG1 3.32Å; N867-T870 WeakPolarHBondContact CA-OG1 3.42Å; N867-T870 PolarHBondContact O-OG1 3.42Å; N867-T870 VanDerWaalsContact O-OG1 3.05Å; T870-R873 PolarHBondContact O-N 3.12Å; T870-R873 VanDerWaalsContact O-N 3.15Å; T870-S874 PolarHBondContact O-N 2.97Å |
| 871 | F | 93.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59 | -48.9 | 171 | 173.9 | -113.3 | 0 | 0 | 0 | 111.4 | N867 A868 R873 S874 H876 S877 L881 F1032 R1033 E1036 | N867-F871 WeakPolarHBondContact O-CB 3.42Å; N867-F871 PolarHBondContact O-N 3.1Å; A868-F871 PolarHBondContact O-N 2.83Å; F871-R873 PolarHBondContact O-N 2.72Å; F871-R873 VanDerWaalsContact O-N 3.12Å; F871-S874 VanDerWaalsContact O-CB 3.24Å; F871-S874 WeakPolarHBondContact O-CB 3.49Å; F871-S874 PolarHBondContact O-N 3.33Å; F871-S874 PolarHBondContact O-OG 2.72Å; F871-H876 HydrophobicContact CE2-CB 4.45Å; F871-S877 WeakPolarHBondContact O-CB 3.49Å; F871-L881 HydrophobicContact CD1-CD2 3.94Å; F871-L881 HydrophobicContact CE1-CD2 3.57Å; F871-F1032 HydrophobicContact CB-CB 4.04Å; F871-F1032 HydrophobicContact CB-CG 4.49Å; F871-F1032 HydrophobicContact CD1-CB 3.46Å; F871-F1032 VanDerWaalsContact CD1-CB 3.46Å; F871-F1032 HydrophobicContact CD1-CG 4.31Å; F871-F1032 HydrophobicContact CD2-CB 4.3Å; F871-F1032 HydrophobicContact CE1-CB 3.92Å; F871-F1032 HydrophobicContact CG-CB 3.65Å; F871-R1033 HydrophobicContact CD2-CB 4.35Å; F871-R1033 HydrophobicContact CE2-CB 3.6Å; F871-R1033 HydrophobicContact CE2-CG 4.11Å; F871-R1033 VanDerWaalsContact CZ-CA 3.49Å; F871-R1033 HydrophobicContact CZ-CB 4.06Å; F871-E1036 HydrophobicContact CE1-CB 4.29Å; F871-E1036 HydrophobicContact CZ-CB 4.29Å; F871-E1036 VanDerWaalsContact CZ-OE2 3.22Å; F871-E1036 WeakPolarHBondContact CZ-OE2 3.27Å |
| 872 | L | 91.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.8 | -26.2 | 176.4 | -176.7 | 65.5 | 0 | 0 | 0 | 113.2 | F821 K823 A868 L869 S877 L881 I883 | F821-L872 HydrophobicContact CB-CD2 3.59Å; F821-L872 WeakPolarHBondContact O-CD2 3.33Å; K823-L872 WeakPolarHBondContact CE-O 3.47Å; K823-L872 HydrophobicContact CG-CD1 4.42Å; A868-L872 PolarHBondContact O-N 3.25Å; L869-L872 PolarHBondContact O-N 2.89Å; L872-S877 PolarHBondContact O-OG 3.12Å; L872-L881 HydrophobicContact CD1-CB 4.39Å; L872-L881 HydrophobicContact CD1-CD2 3.93Å; L872-L881 HydrophobicContact CD1-CG 4.07Å; L872-I883 HydrophobicContact CB-CD1 3.85Å; L872-I883 HydrophobicContact CD1-CD1 4.5Å; L872-I883 HydrophobicContact CD2-CD1 4.25Å; L872-I883 HydrophobicContact CD2-CG1 4.37Å; L872-I883 HydrophobicContact CG-CD1 4.42Å |
| 873 | R | 89.2 | Confident | 91.2 | Very high | 128 Ų | 128 | 35 Ų | 35 | 48% | 0.483 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -83.2 | -25.8 | 174.3 | -168.9 | 178.7 | 66.8 | 165.5 | 4.8 | 112.8 | L869 T870 F871 I946 | L869-R873 PolarHBondContact O-N 3.32Å; L869-R873 VanDerWaalsContact O-N 3.11Å; T870-R873 PolarHBondContact O-N 3.12Å; T870-R873 VanDerWaalsContact O-N 3.15Å; F871-R873 PolarHBondContact O-N 2.72Å; F871-R873 VanDerWaalsContact O-N 3.12Å; R873-I946 HydrophobicContact CB-CD1 4.34Å |
| 874 | S | 89.4 | Confident | 91.2 | Very high | 29 Ų | 29 | 33.8 Ų | 33.8 | 20% | 0.203 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -62.2 | 157.6 | -175.1 | 79.6 | 0 | 0 | 0 | 0 | 112.5 | K823 T870 F871 H876 S877 | K823-S874 WeakPolarHBondContact CE-O 3.48Å; K823-S874 PolarHBondContact NZ-O 3.28Å; T870-S874 PolarHBondContact O-N 2.97Å; F871-S874 VanDerWaalsContact O-CB 3.24Å; F871-S874 WeakPolarHBondContact O-CB 3.49Å; F871-S874 PolarHBondContact O-N 3.33Å; F871-S874 PolarHBondContact O-OG 2.72Å; S874-H876 PolarHBondContact O-N 2.73Å; S874-H876 PolarHBondContact OG-N 3.49Å; S874-S877 PolarHBondContact OG-N 2.87Å |
| 875 | A | 84.7 | Confident | 91.2 | Very high | 100 Ų | 100 | 34 Ų | 34 | 83% | 0.826 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -22 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 876 | H | 82.6 | Confident | 91.2 | Very high | 119 Ų | 119 | 34 Ų | 34 | 55% | 0.551 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -28.4 | -176 | -62.8 | -53.5 | 0 | 0 | 0 | 114 | F871 S874 | F871-H876 HydrophobicContact CE2-CB 4.45Å; S874-H876 PolarHBondContact O-N 2.73Å; S874-H876 PolarHBondContact OG-N 3.49Å |
| 877 | S | 86 | Confident | 91.1 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 4% | 0.035 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -68.5 | 142.4 | 178.4 | 102.3 | 0 | 0 | 0 | 0 | 110.7 | K823 F871 L872 S874 E1036 | K823-S877 WeakPolarHBondContact CE-OG 3.47Å; K823-S877 PolarHBondContact NZ-O 3.43Å; K823-S877 PolarHBondContact NZ-OG 3.34Å; F871-S877 WeakPolarHBondContact O-CB 3.49Å; L872-S877 PolarHBondContact O-OG 3.12Å; S874-S877 PolarHBondContact OG-N 2.87Å; S877-E1036 WeakPolarHBondContact CA-OE2 3.21Å |
| 878 | T | 86.7 | Confident | 91 | Very high | 51 Ų | 51 | 31.1 Ų | 31.1 | 31% | 0.313 | 17% | 0.167 | S | C | . | . | trans | -76.3 | 165.2 | 176.3 | 76.9 | 0 | 0 | 0 | 0 | 111.3 | G880 E1036 L1040 | T878-G880 PolarHBondContact O-N 2.9Å; T878-G880 PolarHBondContact OG1-N 3.42Å; T878-E1036 WeakPolarHBondContact CA-OE1 3.07Å; T878-E1036 VanDerWaalsContact CB-OE1 3.22Å; T878-E1036 WeakPolarHBondContact CB-OE1 3.25Å; T878-E1036 WeakPolarHBondContact CG2-OE1 3.36Å; T878-E1036 PolarHBondContact N-OE1 3.2Å; T878-E1036 PolarHBondContact N-OE2 3.03Å; T878-E1036 PolarHBondContact OG1-OE1 3.47Å; T878-L1040 HydrophobicContact CG2-CD1 3.85Å | ||
| 879 | K | 84.6 | Confident | 90.6 | Very high | 162 Ų | 162 | 31.2 Ų | 31.2 | 70% | 0.704 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -10.9 | 166.5 | -67.1 | -177.5 | -177.8 | 178 | 0 | 111.6 | R831 L881 | R831-K879 WeakPolarHBondContact CD-O 3.31Å; R831-K879 PolarHBondContact NE-O 3.11Å; R831-K879 PolarHBondContact NH1-O 3.34Å; K879-L881 VanDerWaalsContact C-N 3.31Å; K879-L881 PolarHBondContact O-N 3.49Å |
| 880 | G | 87.3 | Confident | 90 | Very high | 12 Ų | 12 | 34.3 Ų | 34.3 | 12% | 0.124 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -5.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | R831 P832 V833 T878 | R831-G880 CarbonylContact C-O 3.59Å; R831-G880 VanDerWaalsContact C-O 3.29Å; R831-G880 VanDerWaalsContact CA-O 3.26Å; R831-G880 WeakPolarHBondContact CA-O 3.19Å; R831-G880 WeakPolarHBondContact CB-O 3.21Å; P832-G880 WeakPolarHBondContact CD-O 3.45Å; V833-G880 PolarHBondContact N-O 3.04Å; T878-G880 PolarHBondContact O-N 2.9Å; T878-G880 PolarHBondContact OG1-N 3.42Å |
| 881 | L | 91.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 137.7 | -174.2 | 179.1 | 64.9 | 0 | 0 | 0 | 113.5 | V833 M835 F871 L872 K879 I883 E1036 | V833-L881 HydrophobicContact CB-CD1 4.15Å; V833-L881 HydrophobicContact CG1-CD1 3.69Å; V833-L881 WeakPolarHBondContact O-CA 3.13Å; M835-L881 HydrophobicContact CE-CD1 3.95Å; M835-L881 HydrophobicContact CG-CD1 3.86Å; M835-L881 HydrophobicContact SD-CD1 3.8Å; F871-L881 HydrophobicContact CD1-CD2 3.94Å; F871-L881 HydrophobicContact CE1-CD2 3.57Å; L872-L881 HydrophobicContact CD1-CB 4.39Å; L872-L881 HydrophobicContact CD1-CD2 3.93Å; L872-L881 HydrophobicContact CD1-CG 4.07Å; K879-L881 VanDerWaalsContact C-N 3.31Å; K879-L881 PolarHBondContact O-N 3.49Å; L881-I883 HydrophobicContact CD1-CG1 4.37Å; L881-I883 HydrophobicContact CD2-CD1 4.28Å; L881-I883 HydrophobicContact CD2-CG1 4.37Å; L881-I883 HydrophobicContact CG-CG1 4.2Å; L881-E1036 WeakPolarHBondContact CB-OE1 3.28Å |
| 882 | R | 92.3 | Very high | 88 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 140.8 | 166.7 | 65.2 | -178.1 | 178.8 | 154.9 | 16.9 | 111.4 | Y820 F821 Q822 R831 V833 T834 M835 S1066 E1067 | Y820-R882 HydrophobicContact CD1-CB 4.46Å; Y820-R882 HydrophobicContact CD1-CG 4.27Å; Y820-R882 HydrophobicContact CG-CB 4.38Å; Y820-R882 HydrophobicContact CG-CG 4.39Å; F821-R882 WeakPolarHBondContact O-CA 3.1Å; Q822-R882 HydrophobicContact CB-CB 4.33Å; R831-R882 HydrophobicContact CB-CG 4.38Å; V833-R882 PolarHBondContact O-N 2.92Å; T834-R882 HydrophobicContact CG2-CG 4.16Å; T834-R882 VanDerWaalsContact OG1-CZ 3.32Å; T834-R882 PolarHBondContact OG1-NE 2.76Å; T834-R882 PolarHBondContact OG1-NH2 2.81Å; M835-R882 PolarHBondContact N-O 3Å; R882-S1066 PolarHBondContact NH2-O 3.44Å; R882-E1067 IonicContact CZ-OE1 2.71Å; R882-E1067 IonicContact NH1-OE1 3.49Å; R882-E1067 PolarHBondContact NH1-OE1 3.04Å; R882-E1067 VanDerWaalsContact NH2-CD 3.3Å; R882-E1067 IonicContact NH2-OE1 3.53Å; R882-E1067 PolarHBondContact NH2-OE1 2.85Å; R882-E1067 IonicContact NH2-OE2 3.18Å |
| 883 | I | 95 | Very high | 86.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.8 | -174.9 | -56.8 | -174.6 | 0 | 0 | 0 | 110.7 | Y820 F821 M835 I837 A868 L872 L881 | Y820-I883 CarbonylContact C-O 3.55Å; Y820-I883 VanDerWaalsContact CA-O 3.32Å; Y820-I883 WeakPolarHBondContact CA-O 3.48Å; F821-I883 PolarHBondContact N-O 3.5Å; F821-I883 PolarHBondContact O-N 2.8Å; M835-I883 HydrophobicContact CB-CG1 4.41Å; M835-I883 CarbonylContact O-C 3.57Å; M835-I883 WeakPolarHBondContact O-CA 3.49Å; I837-I883 HydrophobicContact CD1-CG2 4.29Å; I837-I883 HydrophobicContact CG1-CG2 3.65Å; A868-I883 HydrophobicContact CB-CD1 4.21Å; A868-I883 HydrophobicContact CB-CG2 4.46Å; A868-I883 WeakPolarHBondContact O-CD1 3.47Å; L872-I883 HydrophobicContact CB-CD1 3.85Å; L872-I883 HydrophobicContact CD1-CD1 4.5Å; L872-I883 HydrophobicContact CD2-CD1 4.25Å; L872-I883 HydrophobicContact CD2-CG1 4.37Å; L872-I883 HydrophobicContact CG-CD1 4.42Å; L881-I883 HydrophobicContact CD1-CG1 4.37Å; L881-I883 HydrophobicContact CD2-CD1 4.28Å; L881-I883 HydrophobicContact CD2-CG1 4.37Å; L881-I883 HydrophobicContact CG-CG1 4.2Å |
| 884 | G | 94.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 160.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | M835 W836 I837 | M835-G884 PolarHBondContact O-N 3.03Å; W836-G884 CarbonylContact C-O 3.48Å; W836-G884 WeakPolarHBondContact CA-O 3.42Å; I837-G884 PolarHBondContact N-O 2.86Å |
| 885 | F | 95.6 | Very high | 84.6 | Confident | 8 Ų | 8 | 47.8 Ų | 47.8 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.9 | 179.2 | -71 | -79.6 | 0 | 0 | 0 | 111.5 | F821 I837 I839 A865 L869 Y887 | F821-F885 HydrophobicContact CD2-CD2 4.2Å; F821-F885 AromaticContact CD2-CE2 3.81Å; F821-F885 HydrophobicContact CD2-CE2 3.81Å; F821-F885 AromaticContact CE2-CD2 3.82Å; F821-F885 HydrophobicContact CE2-CD2 3.82Å; F821-F885 AromaticContact CE2-CE2 3.57Å; F821-F885 HydrophobicContact CE2-CE2 3.57Å; I837-F885 HydrophobicContact CB-CD1 3.81Å; I837-F885 HydrophobicContact CB-CE1 3.88Å; I837-F885 HydrophobicContact CG1-CD1 4.48Å; I837-F885 HydrophobicContact CG1-CE1 4.23Å; I837-F885 HydrophobicContact CG2-CD1 4.27Å; I837-F885 HydrophobicContact CG2-CE1 4.09Å; I837-F885 WeakPolarHBondContact O-CA 3.2Å; I839-F885 HydrophobicContact CD1-CD1 3.75Å; I839-F885 HydrophobicContact CD1-CE1 4.22Å; I839-F885 HydrophobicContact CG1-CD1 4.26Å; A865-F885 HydrophobicContact CB-CE1 3.6Å; A865-F885 HydrophobicContact CB-CZ 4.06Å; L869-F885 HydrophobicContact CD1-CE2 4.43Å; L869-F885 HydrophobicContact CD1-CZ 4.12Å; L869-F885 HydrophobicContact CD2-CE2 4.34Å; L869-F885 HydrophobicContact CD2-CZ 4.43Å; L869-F885 HydrophobicContact CG-CE2 4.48Å; L869-F885 HydrophobicContact CG-CZ 4.12Å; F885-Y887 HydrophobicContact CB-CE1 4.48Å; F885-Y887 HydrophobicContact CB-CE2 4.25Å |
| 886 | V | 94.5 | Very high | 83.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 131.6 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 108 | F814 M818 W836 I837 V838 I839 A998 I1002 | F814-V886 HydrophobicContact CE1-CG2 4.17Å; F814-V886 HydrophobicContact CZ-CG1 4.13Å; F814-V886 HydrophobicContact CZ-CG2 4Å; M818-V886 HydrophobicContact CE-CG2 3.99Å; W836-V886 HydrophobicContact CB-CG2 4.03Å; W836-V886 HydrophobicContact CD2-CG2 4Å; W836-V886 HydrophobicContact CE3-CG2 3.71Å; W836-V886 HydrophobicContact CG-CG2 4.19Å; W836-V886 HydrophobicContact CZ3-CG2 4.41Å; I837-V886 PolarHBondContact O-N 3.38Å; V838-V886 VanDerWaalsContact CA-O 3.28Å; V838-V886 WeakPolarHBondContact CA-O 3.46Å; V838-V886 HydrophobicContact CG2-CB 4.21Å; I839-V886 PolarHBondContact N-O 3.3Å; V886-A998 HydrophobicContact CG1-CB 4.45Å; V886-I1002 HydrophobicContact CG1-CD1 4.41Å |
| 887 | Y | 94.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 117.9 | -173.1 | -59.2 | -79.1 | 0 | 0 | 0 | 111.2 | I839 F885 P889 T905 F990 H994 S995 | I839-Y887 HydrophobicContact CD1-CD1 4.27Å; I839-Y887 HydrophobicContact CD1-CE1 3.83Å; I839-Y887 HydrophobicContact CG1-CD1 3.96Å; I839-Y887 HydrophobicContact CG1-CE1 4.02Å; I839-Y887 CarbonylContact O-C 3.5Å; I839-Y887 VanDerWaalsContact O-CA 3.26Å; I839-Y887 WeakPolarHBondContact O-CA 3.4Å; F885-Y887 HydrophobicContact CB-CE1 4.48Å; F885-Y887 HydrophobicContact CB-CE2 4.25Å; Y887-P889 WeakPolarHBondContact O-CD 3.42Å; Y887-T905 HydrophobicContact CD1-CG2 3.75Å; Y887-T905 HydrophobicContact CD2-CG2 4.12Å; Y887-T905 HydrophobicContact CE1-CG2 3.61Å; Y887-T905 HydrophobicContact CE2-CG2 4.02Å; Y887-T905 HydrophobicContact CG-CG2 4Å; Y887-F990 AromaticContact CD2-CE1 3.85Å; Y887-F990 HydrophobicContact CD2-CE1 3.85Å; Y887-F990 AromaticContact CD2-CZ 3.7Å; Y887-F990 HydrophobicContact CD2-CZ 3.7Å; Y887-F990 HydrophobicContact CE2-CE1 4.14Å; Y887-F990 AromaticContact CE2-CZ 3.73Å; Y887-F990 HydrophobicContact CE2-CZ 3.73Å; Y887-H994 AromaticContact CD2-CE1 3.96Å; Y887-H994 AromaticContact CD2-ND1 3.64Å; Y887-H994 PolarHBondContact N-ND1 3.33Å; Y887-H994 CarbonylContact O-C 3.32Å; Y887-H994 WeakPolarHBondContact O-CB 3.27Å; Y887-S995 PolarHBondContact O-N 3.13Å |
| 888 | N | 92.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -118.2 | 75.1 | -179.9 | -175 | 26.4 | 0 | 0 | 0 | 110.8 | V838 I839 A998 K1005 G1007 E1008 | V838-N888 HydrophobicContact CG1-CB 3.61Å; I839-N888 PolarHBondContact O-N 3.4Å; N888-A998 HydrophobicContact CB-CB 3.63Å; N888-K1005 PolarHBondContact ND2-O 3.27Å; N888-G1007 PolarHBondContact ND2-N 3.24Å; N888-G1007 WeakPolarHBondContact O-CA 3.3Å; N888-G1007 PolarHBondContact O-N 2.71Å; N888-E1008 PolarHBondContact ND2-N 3.12Å; N888-E1008 PolarHBondContact ND2-O 2.79Å | ||
| 889 | P | 87.7 | Confident | 78.7 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.013 | 29% | 0.291 | C | S | . | . | trans | -68.3 | 141.3 | -175.6 | 30.3 | -36.8 | 0 | 0 | 0 | 111.7 | D841 Y887 K891 I892 M991 | D841-P889 HydrophobicContact CB-CB 4.04Å; Y887-P889 WeakPolarHBondContact O-CD 3.42Å; P889-K891 VanDerWaalsContact C-N 3.25Å; P889-K891 PolarHBondContact O-N 2.66Å; P889-I892 HydrophobicContact CG-CG1 4.03Å; P889-M991 HydrophobicContact CB-CE 3.97Å; P889-M991 HydrophobicContact CG-CE 3.57Å | ||
| 890 | L | 81.7 | Confident | 77.5 | Confident | 65 Ų | 65 | 60 Ų | 60 | 34% | 0.34 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -63 | -33.3 | 172 | -162.4 | 129.4 | 0 | 0 | 0 | 112.3 | H854 | H854-L890 VanDerWaalsContact CE1-CD2 3.5Å; H854-L890 WeakPolarHBondContact CE1-CD2 3.5Å |
| 891 | K | 77 | Confident | 76.6 | Confident | 162 Ų | 162 | 63.8 Ų | 63.8 | 70% | 0.704 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -142.9 | 132.7 | 171.4 | -165.4 | 176.4 | -177.2 | -179 | 0 | 110.4 | P889 I893 | P889-K891 VanDerWaalsContact C-N 3.25Å; P889-K891 PolarHBondContact O-N 2.66Å; K891-I893 PolarHBondContact O-N 3.4Å |
| 892 | I | 70 | Confident | 76 | Confident | 70 Ų | 70 | 65.4 Ų | 65.4 | 36% | 0.359 | 31% | 0.314 | S | S | . | . | trans | -76.5 | 111.1 | 176.1 | -58.9 | 174.6 | 0 | 0 | 0 | 108.9 | P889 K894 | P889-I892 HydrophobicContact CG-CG1 4.03Å; I892-K894 PolarHBondContact O-N 2.92Å | ||
| 893 | I | 68.7 | Low | 75.7 | Confident | 46 Ų | 46 | 66.5 Ų | 66.5 | 24% | 0.236 | 32% | 0.318 | C | S | . | . | trans | -78.1 | 108.7 | 173.6 | -57.4 | 169.1 | 0 | 0 | 0 | 108.1 | Q844 K891 E895 R987 | Q844-I893 HydrophobicContact CG-CD1 4.12Å; K891-I893 PolarHBondContact O-N 3.4Å; I893-E895 PolarHBondContact O-N 2.94Å; I893-R987 PolarHBondContact O-NH1 2.92Å | ||
| 894 | K | 64.3 | Low | 75.4 | Confident | 169 Ų | 169 | 66.5 Ų | 66.5 | 74% | 0.735 | 32% | 0.318 | S | S | * | . | trans | -76.1 | 117.8 | 174.7 | -71 | -174.4 | 177.2 | -177.9 | 0 | 110 | I892 E896 | I892-K894 PolarHBondContact O-N 2.92Å; K894-E896 PolarHBondContact O-N 3.35Å | ||
| 895 | E | 65.7 | Low | 75.2 | Confident | 29 Ų | 29 | 66.5 Ų | 66.5 | 14% | 0.136 | 32% | 0.319 | C | S | . | . | trans | -73.8 | 112.4 | 169.2 | -86.2 | -179.1 | 158.2 | 0 | 0 | 109.7 | I893 H902 R906 N988 | I893-E895 PolarHBondContact O-N 2.94Å; E895-H902 WeakPolarHBondContact OE1-CB 3.42Å; E895-H902 IonicContact OE1-CD2 2.69Å; E895-H902 PolarHBondContact OE1-CD2 3.45Å; E895-H902 IonicContact OE1-CG 2.67Å; E895-R906 IonicContact OE1-CZ 2.59Å; E895-R906 IonicContact OE1-NH1 3.67Å; E895-R906 PolarHBondContact OE1-NH1 2.86Å; E895-R906 IonicContact OE1-NH2 2.79Å; E895-R906 IonicContact OE2-CZ 2.73Å; E895-R906 IonicContact OE2-NH1 2.87Å; E895-R906 PolarHBondContact OE2-NH1 3.32Å; E895-R906 IonicContact OE2-NH2 2.68Å; E895-R906 PolarHBondContact OE2-NH2 2.98Å; E895-N988 PolarHBondContact N-OD1 2.88Å; E895-N988 PolarHBondContact O-ND2 3.45Å | ||
| 896 | E | 53.8 | Low | 74.9 | Confident | 191 Ų | 191 | 67 Ų | 67 | 89% | 0.893 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -83.6 | -20.2 | 174.7 | -68.8 | -171.9 | 165.8 | 0 | 0 | 113.2 | K894 | K894-E896 PolarHBondContact O-N 3.35Š|
| 897 | K | 52.8 | Low | 74.6 | Confident | 182 Ų | 182 | 67 Ų | 67 | 79% | 0.791 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -140.6 | 152.2 | 173.8 | -73 | 179.9 | 179.7 | 172.6 | 0 | 108.6 | S899 | K897-S899 PolarHBondContact O-N 3.11Š|
| 898 | K | 54.4 | Low | 74.5 | Confident | 169 Ų | 169 | 67 Ų | 67 | 74% | 0.735 | 32% | 0.32 | S | S | * | . | trans | -60.6 | 80.6 | 172.2 | -70.7 | -168.5 | 178.5 | -159.9 | 0 | 109.8 | Q983 | K898-Q983 PolarHBondContact NZ-O 2.97Š| ||
| 899 | S | 55.2 | Low | 74.5 | Confident | 41 Ų | 41 | 67.4 Ų | 67.4 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | trans | -72.8 | 130.3 | 172.8 | 175.6 | 0 | 0 | 0 | 0 | 108 | K897 D901 | K897-S899 PolarHBondContact O-N 3.11Å; S899-D901 PolarHBondContact O-N 3.39Å; S899-D901 PolarHBondContact OG-N 3.06Å | ||
| 900 | T | 59.5 | Low | 74.6 | Confident | 110 Ų | 110 | 67.4 Ų | 67.4 | 68% | 0.675 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -70.9 | -10.9 | 173.9 | 43.7 | 0 | 0 | 0 | 0 | 112.8 | ||
| 901 | D | 67.1 | Low | 75 | Confident | 92 Ų | 92 | 64.3 Ų | 64.3 | 49% | 0.492 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -87.5 | -26.7 | -165.1 | -59.6 | -13.1 | 0 | 0 | 0 | 112.4 | F846 S899 W903 | F846-D901 VanDerWaalsContact CD2-O 3.29Å; F846-D901 WeakPolarHBondContact CD2-O 3.41Å; F846-D901 WeakPolarHBondContact CE2-O 3.34Å; F846-D901 WeakPolarHBondContact CZ-O 3.45Å; S899-D901 PolarHBondContact O-N 3.39Å; S899-D901 PolarHBondContact OG-N 3.06Å; D901-W903 PolarHBondContact O-N 2.87Å; D901-W903 VanDerWaalsContact O-N 3.14Å |
| 902 | H | 78.9 | Confident | 75.5 | Confident | 34 Ų | 34 | 56.7 Ų | 56.7 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | trans | -90.4 | 68.2 | 179.3 | -54.4 | -59.4 | 0 | 0 | 0 | 112.5 | D843 E895 R906 | D843-H902 HydrophobicContact CB-CB 4.01Å; D843-H902 WeakPolarHBondContact OD1-CA 3.17Å; E895-H902 WeakPolarHBondContact OE1-CB 3.42Å; E895-H902 IonicContact OE1-CD2 2.69Å; E895-H902 PolarHBondContact OE1-CD2 3.45Å; E895-H902 IonicContact OE1-CG 2.67Å; H902-R906 PolarHBondContact O-NH1 3.17Å | ||
| 903 | W | 86.1 | Confident | 76.3 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | trans | -108.5 | -13.4 | -176.8 | 68.1 | -93.5 | 0 | 0 | 0 | 114.5 | D843 D901 V907 L948 M962 L965 L968 I982 | D843-W903 PolarHBondContact OD1-N 3.45Å; D901-W903 PolarHBondContact O-N 2.87Å; D901-W903 VanDerWaalsContact O-N 3.14Å; W903-V907 HydrophobicContact CE3-CB 3.77Å; W903-V907 HydrophobicContact CE3-CG1 4.21Å; W903-V907 HydrophobicContact CE3-CG2 3.59Å; W903-V907 HydrophobicContact CZ3-CB 4.04Å; W903-V907 HydrophobicContact CZ3-CG1 3.96Å; W903-V907 HydrophobicContact CZ3-CG2 4.12Å; W903-V907 WeakPolarHBondContact O-CB 3.31Å; W903-V907 PolarHBondContact O-N 3.47Å; W903-L948 HydrophobicContact CH2-CD1 3.74Å; W903-L948 HydrophobicContact CZ3-CD1 3.85Å; W903-M962 HydrophobicContact CH2-CE 3.83Å; W903-M962 HydrophobicContact CZ2-CE 3.35Å; W903-L965 HydrophobicContact CE3-CB 4.44Å; W903-L965 HydrophobicContact CE3-CD1 4.04Å; W903-L965 HydrophobicContact CH2-CB 3.9Å; W903-L965 HydrophobicContact CH2-CD1 3.9Å; W903-L965 HydrophobicContact CZ2-CB 3.98Å; W903-L965 HydrophobicContact CZ3-CB 4.17Å; W903-L965 HydrophobicContact CZ3-CD1 3.5Å; W903-L965 VanDerWaalsContact CZ3-CD1 3.5Å; W903-L965 HydrophobicContact CZ3-CG 4.35Å; W903-L968 HydrophobicContact CH2-CD1 3.98Å; W903-I982 HydrophobicContact CB-CD1 4.38Å; W903-I982 HydrophobicContact CB-CG2 4.1Å | ||
| 904 | L | 89.5 | Confident | 77.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.7 | -54.6 | -169.2 | -75 | 173.7 | 0 | 0 | 0 | 112.2 | L842 D843 I845 F846 R906 V907 L908 L948 I952 M962 | L842-L904 HydrophobicContact CB-CB 4.13Å; D843-L904 WeakPolarHBondContact OD1-CB 3.34Å; D843-L904 PolarHBondContact OD1-N 3.35Å; I845-L904 HydrophobicContact CG2-CD1 3.57Å; F846-L904 HydrophobicContact CD2-CD1 4.44Å; F846-L904 HydrophobicContact CE2-CD1 3.47Å; F846-L904 VanDerWaalsContact CE2-CD1 3.47Å; F846-L904 HydrophobicContact CE2-CG 3.77Å; F846-L904 HydrophobicContact CZ-CD1 3.63Å; F846-L904 HydrophobicContact CZ-CG 3.95Å; L904-R906 PolarHBondContact O-N 3.38Å; L904-V907 PolarHBondContact O-N 3.22Å; L904-L908 WeakPolarHBondContact O-CB 3.42Å; L904-L908 PolarHBondContact O-N 3.05Å; L904-L948 HydrophobicContact CD2-CD1 3.58Å; L904-L948 HydrophobicContact CD2-CD2 4.45Å; L904-L948 HydrophobicContact CD2-CG 4.22Å; L904-I952 HydrophobicContact CD1-CD1 4.03Å; L904-I952 HydrophobicContact CD1-CG1 4.17Å; L904-I952 HydrophobicContact CD2-CD1 3.9Å; L904-I952 HydrophobicContact CD2-CG1 4.18Å; L904-I952 HydrophobicContact CG-CD1 4.42Å; L904-M962 HydrophobicContact CD1-CE 4.33Å; L904-M962 HydrophobicContact CD1-SD 3.78Å; L904-M962 HydrophobicContact CD2-CE 3.33Å; L904-M962 HydrophobicContact CD2-SD 3.72Å; L904-M962 HydrophobicContact CG-CE 4.13Å; L904-M962 HydrophobicContact CG-SD 4.22Å |
| 905 | T | 89.8 | Confident | 77.8 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -43.7 | -178.1 | -60.5 | 0 | 0 | 0 | 0 | 110.8 | D841 L842 D843 Y887 L908 Y909 F990 M991 | D841-T905 WeakPolarHBondContact OD1-CB 3.29Å; D841-T905 PolarHBondContact OD1-OG1 3.49Å; L842-T905 PolarHBondContact N-OG1 3.39Å; D843-T905 PolarHBondContact N-OG1 2.98Å; Y887-T905 HydrophobicContact CD1-CG2 3.75Å; Y887-T905 HydrophobicContact CD2-CG2 4.12Å; Y887-T905 HydrophobicContact CE1-CG2 3.61Å; Y887-T905 HydrophobicContact CE2-CG2 4.02Å; Y887-T905 HydrophobicContact CG-CG2 4Å; T905-L908 PolarHBondContact O-N 2.79Å; T905-Y909 PolarHBondContact O-N 3.39Å; T905-Y909 VanDerWaalsContact O-N 3.14Å; T905-F990 HydrophobicContact CG2-CE1 4.17Å; T905-M991 HydrophobicContact CG2-SD 4.08Å |
| 906 | R | 88.7 | Confident | 77.8 | Confident | 17 Ų | 17 | 47.1 Ų | 47.1 | 6% | 0.064 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -50 | 176.4 | -70.7 | 176.8 | 166.1 | 119.8 | -9 | 111.3 | E895 H902 L904 Y909 L910 F985 | E895-R906 IonicContact OE1-CZ 2.59Å; E895-R906 IonicContact OE1-NH1 3.67Å; E895-R906 PolarHBondContact OE1-NH1 2.86Å; E895-R906 IonicContact OE1-NH2 2.79Å; E895-R906 IonicContact OE2-CZ 2.73Å; E895-R906 IonicContact OE2-NH1 2.87Å; E895-R906 PolarHBondContact OE2-NH1 3.32Å; E895-R906 IonicContact OE2-NH2 2.68Å; E895-R906 PolarHBondContact OE2-NH2 2.98Å; H902-R906 PolarHBondContact O-NH1 3.17Å; L904-R906 PolarHBondContact O-N 3.38Å; R906-Y909 PolarHBondContact O-N 3.27Å; R906-L910 WeakPolarHBondContact O-CB 3.34Å; R906-L910 VanDerWaalsContact O-CG 3.23Å; R906-L910 WeakPolarHBondContact O-CG 3.26Å; R906-L910 PolarHBondContact O-N 3.44Å; R906-F985 HydrophobicContact CG-CD1 4.01Å; R906-F985 PolarHBondContact NE-O 2.96Å; R906-F985 PolarHBondContact NH2-O 3.42Å |
| 907 | V | 90 | Very high | 78.1 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.5 | -44.9 | -178.2 | 155.5 | 0 | 0 | 0 | 0 | 111.7 | W903 L904 Y909 L910 V911 F944 L948 L965 I978 I982 | W903-V907 HydrophobicContact CE3-CB 3.77Å; W903-V907 HydrophobicContact CE3-CG1 4.21Å; W903-V907 HydrophobicContact CE3-CG2 3.59Å; W903-V907 HydrophobicContact CZ3-CB 4.04Å; W903-V907 HydrophobicContact CZ3-CG1 3.96Å; W903-V907 HydrophobicContact CZ3-CG2 4.12Å; W903-V907 WeakPolarHBondContact O-CB 3.31Å; W903-V907 PolarHBondContact O-N 3.47Å; L904-V907 PolarHBondContact O-N 3.22Å; V907-Y909 PolarHBondContact O-N 2.91Å; V907-L910 PolarHBondContact O-N 2.88Å; V907-V911 HydrophobicContact CG1-CG1 4.31Å; V907-V911 WeakPolarHBondContact O-CG1 3.4Å; V907-V911 WeakPolarHBondContact O-CG2 3.49Å; V907-V911 PolarHBondContact O-N 3.23Å; V907-V911 VanDerWaalsContact O-N 3.1Å; V907-F944 HydrophobicContact CG1-CD1 4.44Å; V907-F944 HydrophobicContact CG1-CE1 3.32Å; V907-F944 HydrophobicContact CG1-CZ 3.73Å; V907-L948 HydrophobicContact CG1-CD2 4.26Å; V907-L965 HydrophobicContact CG1-CD1 4.33Å; V907-L965 HydrophobicContact CG2-CD1 4.25Å; V907-I978 HydrophobicContact CG2-CG2 4.01Å; V907-I982 HydrophobicContact CG2-CD1 3.24Å; V907-I982 HydrophobicContact CG2-CG1 3.72Å |
| 908 | L | 91.8 | Very high | 77.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.6 | -39.8 | 178.6 | -179.1 | 63.3 | 0 | 0 | 0 | 111.4 | F821 L842 L904 T905 V911 A945 L948 I949 | F821-L908 HydrophobicContact CZ-CD1 4.17Å; F821-L908 WeakPolarHBondContact CZ-O 3.39Å; L842-L908 HydrophobicContact CD1-CD2 3.54Å; L904-L908 WeakPolarHBondContact O-CB 3.42Å; L904-L908 PolarHBondContact O-N 3.05Å; T905-L908 PolarHBondContact O-N 2.79Å; L908-V911 WeakPolarHBondContact O-CG2 3.45Å; L908-A945 HydrophobicContact CD1-CB 3.62Å; L908-L948 HydrophobicContact CB-CD2 4.2Å; L908-I949 HydrophobicContact CD1-CD1 4.28Å; L908-I949 HydrophobicContact CD2-CD1 4.41Å |
| 909 | Y | 91.3 | Very high | 77.3 | Confident | 10 Ų | 10 | 33.7 Ų | 33.7 | 4% | 0.039 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.7 | -51.6 | 173.3 | 167.9 | -100.7 | 0 | 0 | 0 | 112.4 | Q817 R819 T905 R906 V907 V911 G912 F985 F990 | Q817-Y909 WeakPolarHBondContact O-CE2 3.43Å; Q817-Y909 PolarHBondContact O-OH 3Å; R819-Y909 HydrophobicContact CB-CD2 4.3Å; R819-Y909 HydrophobicContact CB-CE2 4.07Å; R819-Y909 WeakPolarHBondContact CD-O 3.42Å; R819-Y909 HydrophobicContact CG-CD2 4.42Å; R819-Y909 HydrophobicContact CG-CE2 3.85Å; T905-Y909 PolarHBondContact O-N 3.39Å; T905-Y909 VanDerWaalsContact O-N 3.14Å; R906-Y909 PolarHBondContact O-N 3.27Å; V907-Y909 PolarHBondContact O-N 2.91Å; Y909-V911 VanDerWaalsContact C-N 3.3Å; Y909-V911 PolarHBondContact O-N 3.31Å; Y909-G912 PolarHBondContact O-N 3.49Å; Y909-G912 VanDerWaalsContact O-N 3.15Å; Y909-F985 HydrophobicContact CD1-CE1 4.49Å; Y909-F985 HydrophobicContact CD1-CE2 4.32Å; Y909-F985 AromaticContact CD1-CZ 3.87Å; Y909-F985 HydrophobicContact CD1-CZ 3.87Å; Y909-F985 AromaticContact CE1-CE2 3.73Å; Y909-F985 HydrophobicContact CE1-CE2 3.73Å; Y909-F985 AromaticContact CE1-CZ 3.55Å; Y909-F985 HydrophobicContact CE1-CZ 3.55Å; Y909-F990 HydrophobicContact CD1-CE2 4.06Å; Y909-F990 HydrophobicContact CD1-CZ 4.36Å; Y909-F990 AromaticContact CD2-CE2 3.95Å; Y909-F990 HydrophobicContact CD2-CE2 3.95Å; Y909-F990 HydrophobicContact CD2-CZ 4.14Å; Y909-F990 HydrophobicContact CE1-CE2 4.15Å; Y909-F990 HydrophobicContact CE2-CE2 4.04Å; Y909-F990 AromaticContact CG-CE2 3.97Å; Y909-F990 HydrophobicContact CG-CE2 3.97Å; Y909-F990 AromaticContact CG-CZ 3.98Å; Y909-F990 HydrophobicContact CG-CZ 3.98Å |
| 910 | L | 89.5 | Confident | 76.4 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.7 | -30.1 | -173.6 | -73.1 | 170.4 | 0 | 0 | 0 | 114.4 | R819 R906 V907 G912 I930 Y935 A981 I982 F985 | R819-L910 PolarHBondContact NH1-O 3.2Å; R906-L910 WeakPolarHBondContact O-CB 3.34Å; R906-L910 VanDerWaalsContact O-CG 3.23Å; R906-L910 WeakPolarHBondContact O-CG 3.26Å; R906-L910 PolarHBondContact O-N 3.44Å; V907-L910 PolarHBondContact O-N 2.88Å; L910-G912 VanDerWaalsContact C-N 3.26Å; L910-G912 PolarHBondContact O-N 3.09Å; L910-I930 HydrophobicContact CD2-CG2 3.53Å; L910-Y935 HydrophobicContact CB-CD2 4.41Å; L910-Y935 HydrophobicContact CD2-CD2 4.3Å; L910-Y935 HydrophobicContact CD2-CE2 3.95Å; L910-A981 HydrophobicContact CD1-CB 3.98Å; L910-I982 HydrophobicContact CD1-CG1 4.12Å; L910-F985 HydrophobicContact CD2-CD2 4.43Å |
| 911 | V | 90.1 | Very high | 75.4 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -7.9 | -179.9 | -59.9 | 0 | 0 | 0 | 0 | 113.7 | F821 V907 L908 Y909 F944 M973 | F821-V911 HydrophobicContact CE1-CG2 3.99Å; F821-V911 HydrophobicContact CZ-CG2 3.83Å; V907-V911 HydrophobicContact CG1-CG1 4.31Å; V907-V911 WeakPolarHBondContact O-CG1 3.4Å; V907-V911 WeakPolarHBondContact O-CG2 3.49Å; V907-V911 PolarHBondContact O-N 3.23Å; V907-V911 VanDerWaalsContact O-N 3.1Å; L908-V911 WeakPolarHBondContact O-CG2 3.45Å; Y909-V911 VanDerWaalsContact C-N 3.3Å; Y909-V911 PolarHBondContact O-N 3.31Å; V911-F944 HydrophobicContact CG1-CD1 4.07Å; V911-F944 HydrophobicContact CG1-CE1 4.28Å; V911-F944 HydrophobicContact CG2-CD1 4.25Å; V911-M973 HydrophobicContact CB-CE 4.37Å; V911-M973 HydrophobicContact CG1-CE 3.42Å; V911-M973 VanDerWaalsContact CG1-CE 3.42Å |
| 912 | G | 88.9 | Confident | 74 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -74.7 | 157.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R819 Y909 L910 | R819-G912 PolarHBondContact NH1-O 3.18Å; Y909-G912 PolarHBondContact O-N 3.49Å; Y909-G912 VanDerWaalsContact O-N 3.15Å; L910-G912 VanDerWaalsContact C-N 3.26Å; L910-G912 PolarHBondContact O-N 3.09Å |
| 913 | N | 87 | Confident | 71.9 | Confident | 11 Ų | 11 | 43.2 Ų | 43.2 | 6% | 0.059 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 131.9 | 176 | -140 | 32.1 | 0 | 0 | 0 | 110.8 | R819 Y820 K934 Q938 | R819-N913 CarbonylContact C-O 3.51Å; R819-N913 WeakPolarHBondContact CA-O 3.3Å; R819-N913 WeakPolarHBondContact CB-O 3.47Å; Y820-N913 PolarHBondContact N-O 3.38Å; Y820-N913 VanDerWaalsContact O-CB 3.31Å; Y820-N913 WeakPolarHBondContact O-CB 3.47Å; Y820-N913 PolarHBondContact O-N 3.33Å; N913-K934 WeakPolarHBondContact OD1-CE 3.43Å; N913-Q938 PolarHBondContact OD1-NE2 3.22Å |
| 914 | P | 85.6 | Confident | 69.8 | Low | 9 Ų | 9 | 49.8 Ų | 49.8 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 156.5 | 166.6 | 34.1 | -35.3 | 0 | 0 | 0 | 111.3 | A931 K932 K934 | P914-A931 VanDerWaalsContact CB-O 3.27Å; P914-A931 WeakPolarHBondContact CB-O 3.43Å; P914-K932 WeakPolarHBondContact CG-O 3.49Å; P914-K934 HydrophobicContact CG-CB 4.32Å |
| 915 | I | 77.5 | Confident | 68.2 | Low | 12 Ų | 12 | 54.6 Ų | 54.6 | 6% | 0.062 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -85 | 129.8 | 172.8 | -53.6 | 165.8 | 0 | 0 | 0 | 109 | M815 M818 Y820 I917 D1063 E1067 | M815-I915 WeakPolarHBondContact O-CD1 3.44Å; M818-I915 HydrophobicContact CB-CD1 4.26Å; M818-I915 WeakPolarHBondContact O-CG1 3.27Å; Y820-I915 HydrophobicContact CD2-CD1 4.28Å; Y820-I915 HydrophobicContact CD2-CG1 3.93Å; Y820-I915 HydrophobicContact CE2-CD1 3.55Å; Y820-I915 HydrophobicContact CE2-CG1 3.71Å; I915-I917 HydrophobicContact CG2-CD1 3.62Å; I915-I917 HydrophobicContact CG2-CG1 3.76Å; I915-I917 PolarHBondContact O-N 2.76Å; I915-D1063 HydrophobicContact CG2-CB 4.27Å; I915-E1067 HydrophobicContact CG2-CG 4.44Å |
| 916 | N | 65.6 | Low | 66.7 | Low | 81 Ų | 81 | 59.3 Ų | 59.3 | 43% | 0.433 | 33% | 0.327 | S | S | . | . | trans | -87.6 | 74.4 | 177 | -82.1 | -25.6 | 0 | 0 | 0 | 111.7 | ||||
| 917 | I | 60.4 | Low | 65.6 | Low | 46 Ų | 46 | 59.2 Ų | 59.2 | 24% | 0.236 | 33% | 0.328 | C | S | . | . | trans | -101.7 | 107.6 | 169.5 | -65.2 | 160.2 | 0 | 0 | 0 | 109.3 | I915 L919 I1064 E1067 | I915-I917 HydrophobicContact CG2-CD1 3.62Å; I915-I917 HydrophobicContact CG2-CG1 3.76Å; I915-I917 PolarHBondContact O-N 2.76Å; I917-L919 PolarHBondContact O-N 3Å; I917-I1064 HydrophobicContact CG1-CG1 4.1Å; I917-E1067 HydrophobicContact CD1-CG 4.49Å | ||
| 918 | T | 46.7 | Very low | 64.4 | Low | 133 Ų | 133 | 62.6 Ų | 62.6 | 82% | 0.816 | 34% | 0.344 | S | S | * | . | trans | -80.2 | 91.5 | 175.9 | 47.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 919 | L | 43.5 | Very low | 63.3 | Low | 81 Ų | 81 | 68.8 Ų | 68.8 | 42% | 0.424 | 38% | 0.376 | S | S | . | . | trans | -134.8 | 124.5 | 155.9 | -98.4 | 143.3 | 0 | 0 | 0 | 108.3 | I795 I917 L921 | I795-L919 HydrophobicContact CG2-CD1 4.47Å; I917-L919 PolarHBondContact O-N 3Å; L919-L921 PolarHBondContact O-N 3.25Å | ||
| 920 | P | 36.5 | Very low | 62.2 | Low | 127 Ų | 127 | 68.8 Ų | 68.8 | 83% | 0.825 | 38% | 0.376 | S | S | * | . | trans | -83.8 | 105.2 | 177.4 | 31.7 | -27 | 0 | 0 | 0 | 108.4 | ||||
| 921 | L | 39.9 | Very low | 61.1 | Low | 114 Ų | 114 | 69.1 Ų | 69.1 | 60% | 0.597 | 38% | 0.379 | S | S | * | . | trans | -96.9 | 130.5 | 160.4 | -99.5 | 94.4 | 0 | 0 | 0 | 109.6 | I799 L919 | I799-L921 HydrophobicContact CD1-CD2 4.2Å; I799-L921 HydrophobicContact CD1-CG 4.4Å; I799-L921 HydrophobicContact CG1-CD2 4.14Å; L919-L921 PolarHBondContact O-N 3.25Å | ||
| 922 | S | 36.3 | Very low | 60.2 | Low | 83 Ų | 83 | 74 Ų | 74 | 58% | 0.58 | 40% | 0.4 | S | S | * | . | trans | -78.8 | 133.7 | -178.2 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 923 | N | 35.4 | Very low | 59.7 | Low | 152 Ų | 152 | 80 Ų | 80 | 81% | 0.813 | 42% | 0.422 | S | S | * | . | S | Bend | trans | 64.4 | 80.2 | 159 | -60.6 | -16.8 | 0 | 0 | 0 | 117.7 | ||
| 924 | Q | 42.3 | Very low | 59.6 | Low | 165 Ų | 165 | 83.1 Ų | 83.1 | 77% | 0.771 | 44% | 0.435 | S | S | * | . | 177.2 | 150.8 | 126.4 | -98.7 | 176.8 | 15.7 | 0 | 0 | 114.9 | |||||
| 925 | L | 55 | Low | 59.6 | Low | 100 Ų | 100 | 83.8 Ų | 83.8 | 52% | 0.524 | 44% | 0.436 | S | S | . | . | trans | 63.5 | 120.4 | 167.3 | -84.1 | 95.6 | 0 | 0 | 0 | 121.7 | N927 E928 | L925-N927 PolarHBondContact O-N 3.01Å; L925-E928 PolarHBondContact O-N 3.23Å; L925-E928 VanDerWaalsContact O-N 3.15Å | ||
| 926 | N | 59.5 | Low | 59.9 | Low | 100 Ų | 100 | 83.5 Ų | 83.5 | 54% | 0.535 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -43.7 | -28.8 | 176.4 | -70.8 | -25.4 | 0 | 0 | 0 | 115.9 | E928 I929 I930 | N926-E928 VanDerWaalsContact C-N 3.32Å; N926-E928 PolarHBondContact O-N 3.31Å; N926-I929 PolarHBondContact O-N 3.49Å; N926-I930 HydrophobicContact CB-CD1 4.44Å; N926-I930 WeakPolarHBondContact O-CD1 3.43Å; N926-I930 VanDerWaalsContact O-CG1 3.29Å; N926-I930 WeakPolarHBondContact O-CG1 3.1Å; N926-I930 PolarHBondContact O-N 2.53Å |
| 927 | N | 65.6 | Low | 60.8 | Low | 15 Ų | 15 | 85.1 Ų | 85.1 | 8% | 0.08 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.4 | -34.5 | -178.9 | -77.3 | 4.5 | 0 | 0 | 0 | 112.9 | L925 I930 A931 F985 D986 | L925-N927 PolarHBondContact O-N 3.01Å; N927-I930 PolarHBondContact O-N 3.06Å; N927-A931 WeakPolarHBondContact O-CB 3.5Å; N927-A931 PolarHBondContact O-N 2.79Å; N927-F985 HydrophobicContact CB-CE2 4.43Å; N927-F985 WeakPolarHBondContact OD1-CA 3.22Å; N927-D986 PolarHBondContact ND2-O 3.29Å; N927-D986 VanDerWaalsContact ND2-O 3.11Å; N927-D986 PolarHBondContact OD1-N 2.96Å |
| 928 | E | 64.4 | Low | 62 | Low | 72 Ų | 72 | 83 Ų | 83 | 34% | 0.336 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -70.9 | -40.1 | -179.4 | -72.1 | -165.5 | 162.5 | 0 | 0 | 113 | L925 N926 I930 A931 K932 | L925-E928 PolarHBondContact O-N 3.23Å; L925-E928 VanDerWaalsContact O-N 3.15Å; N926-E928 VanDerWaalsContact C-N 3.32Å; N926-E928 PolarHBondContact O-N 3.31Å; E928-I930 VanDerWaalsContact C-N 3.32Å; E928-A931 PolarHBondContact O-N 2.74Å; E928-K932 WeakPolarHBondContact O-CG 3.28Å; E928-K932 PolarHBondContact O-N 2.89Å |
| 929 | I | 67.8 | Low | 63.9 | Low | 130 Ų | 130 | 82.3 Ų | 82.3 | 67% | 0.667 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64 | -44.2 | 176.7 | -62 | 174.3 | 0 | 0 | 0 | 109.5 | N926 K932 R933 | N926-I929 PolarHBondContact O-N 3.49Å; I929-K932 PolarHBondContact O-N 3.49Å; I929-R933 PolarHBondContact O-N 2.86Å |
| 930 | I | 68.8 | Low | 66 | Low | 10 Ų | 10 | 79 Ų | 79 | 5% | 0.051 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 175.6 | -66.3 | 165.8 | 0 | 0 | 0 | 109.5 | R819 L910 N926 N927 E928 K932 R933 Y935 A981 L984 F985 | R819-I930 PolarHBondContact NH2-O 2.73Å; L910-I930 HydrophobicContact CD2-CG2 3.53Å; N926-I930 HydrophobicContact CB-CD1 4.44Å; N926-I930 WeakPolarHBondContact O-CD1 3.43Å; N926-I930 VanDerWaalsContact O-CG1 3.29Å; N926-I930 WeakPolarHBondContact O-CG1 3.1Å; N926-I930 PolarHBondContact O-N 2.53Å; N927-I930 PolarHBondContact O-N 3.06Å; E928-I930 VanDerWaalsContact C-N 3.32Å; I930-K932 VanDerWaalsContact C-N 3.27Å; I930-K932 PolarHBondContact O-N 2.64Å; I930-R933 PolarHBondContact O-N 3.3Å; I930-Y935 HydrophobicContact CG2-CE2 4.23Å; I930-Y935 WeakPolarHBondContact O-CE2 3.28Å; I930-A981 HydrophobicContact CG2-CB 4.29Å; I930-L984 HydrophobicContact CD1-CB 3.51Å; I930-F985 HydrophobicContact CB-CD2 4.32Å; I930-F985 HydrophobicContact CD1-CB 4.44Å; I930-F985 HydrophobicContact CG2-CD2 3.72Å; I930-F985 HydrophobicContact CG2-CE2 4.4Å |
| 931 | A | 66 | Low | 68.5 | Low | 7 Ų | 7 | 73 Ų | 73 | 6% | 0.058 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.4 | -28.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R819 P914 N927 E928 | R819-A931 PolarHBondContact NE-O 3.32Å; R819-A931 PolarHBondContact NH2-O 3.11Å; P914-A931 VanDerWaalsContact CB-O 3.27Å; P914-A931 WeakPolarHBondContact CB-O 3.43Å; N927-A931 WeakPolarHBondContact O-CB 3.5Å; N927-A931 PolarHBondContact O-N 2.79Å; E928-A931 PolarHBondContact O-N 2.74Å |
| 932 | K | 71.8 | Confident | 70.9 | Confident | 103 Ų | 103 | 68.7 Ų | 68.7 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -88.2 | -12.3 | 178.5 | -69.9 | 179.5 | -178.4 | 178.6 | 0 | 114.5 | P914 E928 I929 I930 | P914-K932 WeakPolarHBondContact CG-O 3.49Å; E928-K932 WeakPolarHBondContact O-CG 3.28Å; E928-K932 PolarHBondContact O-N 2.89Å; I929-K932 PolarHBondContact O-N 3.49Å; I930-K932 VanDerWaalsContact C-N 3.27Å; I930-K932 PolarHBondContact O-N 2.64Å |
| 933 | R | 79.1 | Confident | 73.4 | Confident | 130 Ų | 130 | 67.3 Ų | 67.3 | 49% | 0.491 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -83.2 | 134.9 | -178.6 | -170.8 | 169.1 | 178.4 | 167.4 | -2.1 | 111.9 | R819 I929 I930 Y935 | R819-R933 PolarHBondContact NH1-O 3.31Å; R819-R933 PolarHBondContact NH2-O 2.99Å; I929-R933 PolarHBondContact O-N 2.86Å; I930-R933 PolarHBondContact O-N 3.3Å; R933-Y935 HydrophobicContact CB-CE2 3.9Å; R933-Y935 HydrophobicContact CG-CE1 4.24Å; R933-Y935 HydrophobicContact CG-CE2 4.35Å; R933-Y935 VanDerWaalsContact O-CD2 3.26Å; R933-Y935 WeakPolarHBondContact O-CD2 3.16Å; R933-Y935 WeakPolarHBondContact O-CE2 3.33Å |
| 934 | K | 83.6 | Confident | 76.2 | Confident | 76 Ų | 76 | 60.1 Ų | 60.1 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | trans | -82.7 | 122 | 172.5 | -167.4 | 175.8 | -176.8 | 180 | 0 | 109.5 | D825 N913 P914 A936 | D825-K934 IonicContact OD1-NZ 2.75Å; D825-K934 PolarHBondContact OD1-NZ 3.22Å; N913-K934 WeakPolarHBondContact OD1-CE 3.43Å; P914-K934 HydrophobicContact CG-CB 4.32Å; K934-A936 WeakPolarHBondContact CE-O 3.41Å; K934-A936 WeakPolarHBondContact CG-O 3.31Å | ||
| 935 | Y | 85.3 | Confident | 78.5 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 9% | 0.086 | 25% | 0.25 | C | S | . | . | trans | -106.1 | -18.1 | -177.7 | -67.9 | -78.3 | 0 | 0 | 0 | 114 | L910 I930 R933 Q977 A981 | L910-Y935 HydrophobicContact CB-CD2 4.41Å; L910-Y935 HydrophobicContact CD2-CD2 4.3Å; L910-Y935 HydrophobicContact CD2-CE2 3.95Å; I930-Y935 HydrophobicContact CG2-CE2 4.23Å; I930-Y935 WeakPolarHBondContact O-CE2 3.28Å; R933-Y935 HydrophobicContact CB-CE2 3.9Å; R933-Y935 HydrophobicContact CG-CE1 4.24Å; R933-Y935 HydrophobicContact CG-CE2 4.35Å; R933-Y935 VanDerWaalsContact O-CD2 3.26Å; R933-Y935 WeakPolarHBondContact O-CD2 3.16Å; R933-Y935 WeakPolarHBondContact O-CE2 3.33Å; Y935-Q977 HydrophobicContact CD1-CB 4.32Å; Y935-A981 HydrophobicContact CD1-CB 4.38Å; Y935-A981 HydrophobicContact CE1-CB 3.6Å; Y935-A981 HydrophobicContact CE2-CB 4.29Å | ||
| 936 | A | 84.5 | Confident | 80.3 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 5% | 0.05 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -146.5 | 149.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | K934 M973 | K934-A936 WeakPolarHBondContact CE-O 3.41Å; K934-A936 WeakPolarHBondContact CG-O 3.31Å; A936-M973 HydrophobicContact CB-CE 4.39Å; A936-M973 HydrophobicContact CB-CG 3.91Å; A936-M973 HydrophobicContact CB-SD 4.4Å |
| 937 | E | 84.4 | Confident | 81.9 | Confident | 116 Ų | 116 | 48.2 Ų | 48.2 | 54% | 0.542 | 22% | 0.221 | S | C | . | . | trans | -68.7 | 153 | 164.6 | -66.9 | -172.4 | 169.3 | 0 | 0 | 110.7 | M939 S940 G941 | E937-M939 VanDerWaalsContact C-N 3.29Å; E937-M939 PolarHBondContact O-N 3.35Å; E937-S940 PolarHBondContact O-N 3.09Å; E937-S940 VanDerWaalsContact O-N 3.12Å; E937-G941 PolarHBondContact O-N 3.35Å | ||
| 938 | Q | 85.2 | Confident | 83.2 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.4 | -38.4 | -171.1 | -75.4 | -53.3 | -54.1 | 0 | 0 | 114 | Q822 D825 N913 R942 | Q822-Q938 HydrophobicContact CG-CG 3.84Å; Q822-Q938 VanDerWaalsContact N-OE1 3.11Å; D825-Q938 WeakPolarHBondContact OD1-CG 3.24Å; D825-Q938 PolarHBondContact OD1-N 2.94Å; N913-Q938 PolarHBondContact OD1-NE2 3.22Å; Q938-R942 WeakPolarHBondContact O-CB 3.48Å; Q938-R942 PolarHBondContact O-N 2.71Å; Q938-R942 VanDerWaalsContact O-N 3.13Å |
| 939 | M | 86.3 | Confident | 84.6 | Confident | 117 Ų | 117 | 44.1 Ų | 44.1 | 58% | 0.576 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -67.6 | -46.7 | 178.7 | -167.3 | -173.3 | -57.5 | 0 | 0 | 111.4 | E937 N943 | E937-M939 VanDerWaalsContact C-N 3.29Å; E937-M939 PolarHBondContact O-N 3.35Å; M939-N943 WeakPolarHBondContact O-CB 3.33Å; M939-N943 VanDerWaalsContact O-CG 3.22Å; M939-N943 PolarHBondContact O-N 2.86Å; M939-N943 PolarHBondContact O-ND2 3.13Å |
| 940 | S | 87.9 | Confident | 85.8 | Confident | 12 Ų | 12 | 43.1 Ų | 43.1 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.2 | -46.1 | -179.8 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | E937 R942 N943 F944 S971 | E937-S940 PolarHBondContact O-N 3.09Å; E937-S940 VanDerWaalsContact O-N 3.12Å; S940-R942 PolarHBondContact O-N 2.72Å; S940-N943 PolarHBondContact O-N 2.89Å; S940-F944 VanDerWaalsContact O-CB 3.27Å; S940-F944 WeakPolarHBondContact O-CB 3.44Å; S940-F944 PolarHBondContact O-N 2.97Å; S940-S971 WeakPolarHBondContact CB-O 3.29Å; S940-S971 PolarHBondContact OG-O 3.26Å |
| 941 | G | 89.1 | Confident | 86.9 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.5 | -47.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | E937 F944 A945 | E937-G941 PolarHBondContact O-N 3.35Å; G941-F944 PolarHBondContact O-N 3.25Å; G941-A945 WeakPolarHBondContact O-CB 3.48Å; G941-A945 PolarHBondContact O-N 3.41Å |
| 942 | R | 90 | Very high | 88 | Confident | 24 Ų | 24 | 43.3 Ų | 43.3 | 9% | 0.091 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 176.7 | -177.7 | -179.6 | 61.3 | -125 | -5.9 | 112.4 | F821 Q822 Q938 S940 F944 A945 I946 | F821-R942 HydrophobicContact CD1-CB 4.28Å; Q822-R942 PolarHBondContact O-NH1 2.85Å; Q938-R942 WeakPolarHBondContact O-CB 3.48Å; Q938-R942 PolarHBondContact O-N 2.71Å; Q938-R942 VanDerWaalsContact O-N 3.13Å; S940-R942 PolarHBondContact O-N 2.72Å; R942-F944 VanDerWaalsContact C-N 3.32Å; R942-A945 PolarHBondContact O-N 3.28Å; R942-I946 HydrophobicContact CG-CD1 4.13Å; R942-I946 WeakPolarHBondContact O-CG1 3.36Å; R942-I946 PolarHBondContact O-N 3.11Å |
| 943 | N | 90.3 | Very high | 88.9 | Confident | 54 Ų | 54 | 39 Ų | 39 | 29% | 0.289 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 180 | -74.6 | -19.1 | 0 | 0 | 0 | 111.4 | M939 S940 R947 V970 | M939-N943 WeakPolarHBondContact O-CB 3.33Å; M939-N943 VanDerWaalsContact O-CG 3.22Å; M939-N943 PolarHBondContact O-N 2.86Å; M939-N943 PolarHBondContact O-ND2 3.13Å; S940-N943 PolarHBondContact O-N 2.89Å; N943-R947 WeakPolarHBondContact O-CB 3.46Å; N943-R947 PolarHBondContact O-N 2.88Å; N943-R947 VanDerWaalsContact O-N 3.09Å; N943-V970 HydrophobicContact CB-CG1 4.48Å |
| 944 | F | 92.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.8 | -47.3 | 174.5 | 176.8 | -90.4 | 0 | 0 | 0 | 111.5 | V907 V911 S940 G941 R942 I946 R947 L948 L965 L968 L969 V970 M973 | V907-F944 HydrophobicContact CG1-CD1 4.44Å; V907-F944 HydrophobicContact CG1-CE1 3.32Å; V907-F944 HydrophobicContact CG1-CZ 3.73Å; V911-F944 HydrophobicContact CG1-CD1 4.07Å; V911-F944 HydrophobicContact CG1-CE1 4.28Å; V911-F944 HydrophobicContact CG2-CD1 4.25Å; S940-F944 VanDerWaalsContact O-CB 3.27Å; S940-F944 WeakPolarHBondContact O-CB 3.44Å; S940-F944 PolarHBondContact O-N 2.97Å; G941-F944 PolarHBondContact O-N 3.25Å; R942-F944 VanDerWaalsContact C-N 3.32Å; F944-I946 PolarHBondContact O-N 3.5Å; F944-R947 WeakPolarHBondContact O-CB 3.37Å; F944-R947 PolarHBondContact O-N 3.47Å; F944-L948 HydrophobicContact CE1-CB 4.36Å; F944-L948 HydrophobicContact CE1-CD2 4.13Å; F944-L948 HydrophobicContact CZ-CD1 4.5Å; F944-L948 WeakPolarHBondContact O-CB 3.33Å; F944-L948 PolarHBondContact O-N 3.39Å; F944-L965 HydrophobicContact CE2-CD1 4.28Å; F944-L965 HydrophobicContact CZ-CD1 3.78Å; F944-L968 VanDerWaalsContact CD2-O 3.3Å; F944-L968 WeakPolarHBondContact CD2-O 3.3Å; F944-L968 HydrophobicContact CE2-CB 3.88Å; F944-L968 HydrophobicContact CZ-CB 4.49Å; F944-L969 HydrophobicContact CD2-CD2 4.39Å; F944-L969 HydrophobicContact CE2-CD2 4.06Å; F944-L969 HydrophobicContact CE2-CG 4.48Å; F944-V970 HydrophobicContact CB-CG2 3.99Å; F944-V970 HydrophobicContact CD2-CG2 4.32Å; F944-M973 HydrophobicContact CB-CE 4.2Å; F944-M973 HydrophobicContact CB-SD 3.56Å; F944-M973 VanDerWaalsContact CB-SD 3.56Å; F944-M973 HydrophobicContact CD1-CE 3.93Å; F944-M973 HydrophobicContact CD1-SD 4.4Å; F944-M973 HydrophobicContact CD2-CE 4.06Å; F944-M973 HydrophobicContact CD2-SD 3.95Å; F944-M973 HydrophobicContact CE1-CE 4.38Å; F944-M973 HydrophobicContact CE2-CE 4.47Å; F944-M973 HydrophobicContact CG-CE 3.77Å; F944-M973 HydrophobicContact CG-SD 3.7Å |
| 945 | A | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.5 | -43.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | F821 L869 L908 G941 R942 R947 L948 I949 | F821-A945 HydrophobicContact CE1-CB 3.74Å; F821-A945 HydrophobicContact CZ-CB 3.79Å; L869-A945 HydrophobicContact CD1-CB 3.77Å; L908-A945 HydrophobicContact CD1-CB 3.62Å; G941-A945 WeakPolarHBondContact O-CB 3.48Å; G941-A945 PolarHBondContact O-N 3.41Å; R942-A945 PolarHBondContact O-N 3.28Å; A945-R947 VanDerWaalsContact C-N 3.32Å; A945-R947 PolarHBondContact O-N 2.89Å; A945-L948 PolarHBondContact O-N 3.2Å; A945-I949 WeakPolarHBondContact O-CG1 3.29Å; A945-I949 PolarHBondContact O-N 2.89Å |
| 946 | I | 92.7 | Very high | 89.5 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 174.7 | -68.5 | 169 | 0 | 0 | 0 | 110.9 | L866 L869 R873 R942 F944 K950 | L866-I946 HydrophobicContact CD1-CG2 4.09Å; L869-I946 HydrophobicContact CB-CD1 4.28Å; L869-I946 HydrophobicContact CB-CG1 3.69Å; L869-I946 HydrophobicContact CD1-CG1 4.39Å; R873-I946 HydrophobicContact CB-CD1 4.34Å; R942-I946 HydrophobicContact CG-CD1 4.13Å; R942-I946 WeakPolarHBondContact O-CG1 3.36Å; R942-I946 PolarHBondContact O-N 3.11Å; F944-I946 PolarHBondContact O-N 3.5Å; I946-K950 HydrophobicContact CG2-CD 4.3Å; I946-K950 WeakPolarHBondContact O-CB 3.48Å; I946-K950 VanDerWaalsContact O-CG 3.31Å; I946-K950 WeakPolarHBondContact O-CG 3.34Å; I946-K950 PolarHBondContact O-N 3.35Å; I946-K950 VanDerWaalsContact O-N 3.13Å |
| 947 | R | 92.7 | Very high | 89.5 | Confident | 111 Ų | 111 | 40.2 Ų | 40.2 | 42% | 0.419 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.9 | -42 | 179.8 | -169.2 | 175.5 | -179.1 | -162.4 | -3.7 | 111.4 | N943 F944 A945 K950 E951 E967 L968 L969 | N943-R947 WeakPolarHBondContact O-CB 3.46Å; N943-R947 PolarHBondContact O-N 2.88Å; N943-R947 VanDerWaalsContact O-N 3.09Å; F944-R947 WeakPolarHBondContact O-CB 3.37Å; F944-R947 PolarHBondContact O-N 3.47Å; A945-R947 VanDerWaalsContact C-N 3.32Å; A945-R947 PolarHBondContact O-N 2.89Å; R947-K950 PolarHBondContact O-N 3.42Å; R947-E951 PolarHBondContact O-N 2.79Å; R947-E967 PolarHBondContact NH2-O 3.5Å; R947-E967 VanDerWaalsContact NH2-O 3.16Å; R947-L968 HydrophobicContact CG-CD2 4.28Å; R947-L968 PolarHBondContact NH1-O 3.22Å; R947-L969 PolarHBondContact NH1-O 3.32Å |
| 948 | L | 92.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.8 | -53.7 | 176.6 | -175.9 | 67.8 | 0 | 0 | 0 | 111.2 | W903 L904 V907 L908 F944 A945 K950 E951 I952 L968 | W903-L948 HydrophobicContact CH2-CD1 3.74Å; W903-L948 HydrophobicContact CZ3-CD1 3.85Å; L904-L948 HydrophobicContact CD2-CD1 3.58Å; L904-L948 HydrophobicContact CD2-CD2 4.45Å; L904-L948 HydrophobicContact CD2-CG 4.22Å; V907-L948 HydrophobicContact CG1-CD2 4.26Å; L908-L948 HydrophobicContact CB-CD2 4.2Å; F944-L948 HydrophobicContact CE1-CB 4.36Å; F944-L948 HydrophobicContact CE1-CD2 4.13Å; F944-L948 HydrophobicContact CZ-CD1 4.5Å; F944-L948 WeakPolarHBondContact O-CB 3.33Å; F944-L948 PolarHBondContact O-N 3.39Å; A945-L948 PolarHBondContact O-N 3.2Å; L948-K950 VanDerWaalsContact C-N 3.3Å; L948-K950 PolarHBondContact O-N 3.4Å; L948-E951 WeakPolarHBondContact O-CB 3.31Å; L948-E951 PolarHBondContact O-N 2.81Å; L948-E951 VanDerWaalsContact O-N 3.12Å; L948-I952 HydrophobicContact CG-CD1 4.21Å; L948-I952 WeakPolarHBondContact O-CG1 3.42Å; L948-I952 PolarHBondContact O-N 3.28Å; L948-L968 HydrophobicContact CD1-CD1 3.86Å |
| 949 | I | 93 | Very high | 89 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.6 | -36.1 | -177.8 | -68 | 160.3 | 0 | 0 | 0 | 111.6 | C862 A865 L866 L869 L908 A945 I952 L953 | C862-I949 HydrophobicContact CB-CG2 4.06Å; C862-I949 WeakPolarHBondContact O-CG2 3.46Å; A865-I949 HydrophobicContact CB-CD1 3.75Å; L866-I949 HydrophobicContact CB-CG2 3.91Å; L869-I949 HydrophobicContact CD1-CD1 3.47Å; L869-I949 VanDerWaalsContact CD1-CD1 3.47Å; L908-I949 HydrophobicContact CD1-CD1 4.28Å; L908-I949 HydrophobicContact CD2-CD1 4.41Å; A945-I949 WeakPolarHBondContact O-CG1 3.29Å; A945-I949 PolarHBondContact O-N 2.89Å; I949-I952 PolarHBondContact O-N 3.45Å; I949-L953 HydrophobicContact CG2-CD1 4.23Å; I949-L953 WeakPolarHBondContact O-CB 3.49Å; I949-L953 PolarHBondContact O-N 3.41Å |
| 950 | K | 92.9 | Very high | 88.6 | Confident | 108 Ų | 108 | 42.5 Ų | 42.5 | 47% | 0.47 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 173.5 | -78.6 | -177.1 | 175.8 | -164.3 | 0 | 112.4 | L866 I946 R947 L948 L953 E954 | L866-K950 HydrophobicContact CD1-CG 3.95Å; L866-K950 HydrophobicContact CD2-CG 4.29Å; I946-K950 HydrophobicContact CG2-CD 4.3Å; I946-K950 WeakPolarHBondContact O-CB 3.48Å; I946-K950 VanDerWaalsContact O-CG 3.31Å; I946-K950 WeakPolarHBondContact O-CG 3.34Å; I946-K950 PolarHBondContact O-N 3.35Å; I946-K950 VanDerWaalsContact O-N 3.13Å; R947-K950 PolarHBondContact O-N 3.42Å; L948-K950 VanDerWaalsContact C-N 3.3Å; L948-K950 PolarHBondContact O-N 3.4Å; K950-L953 PolarHBondContact O-N 3.42Å; K950-E954 WeakPolarHBondContact O-CB 3.4Å; K950-E954 PolarHBondContact O-N 3.41Å |
| 951 | E | 92.1 | Very high | 88 | Confident | 22 Ų | 22 | 47.8 Ų | 47.8 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.8 | -42.4 | 176.5 | -169 | 70.3 | -157.2 | 0 | 0 | 111.3 | R947 L948 E954 S955 M962 K963 L968 | R947-E951 PolarHBondContact O-N 2.79Å; L948-E951 WeakPolarHBondContact O-CB 3.31Å; L948-E951 PolarHBondContact O-N 2.81Å; L948-E951 VanDerWaalsContact O-N 3.12Å; E951-E954 PolarHBondContact O-N 3.27Å; E951-S955 WeakPolarHBondContact O-CB 3.18Å; E951-S955 PolarHBondContact O-N 3.43Å; E951-M962 HydrophobicContact CG-CG 3.99Å; E951-K963 VanDerWaalsContact CD-NZ 3.26Å; E951-K963 HydrophobicContact CG-CB 4.44Å; E951-K963 WeakPolarHBondContact OE1-CG 3.04Å; E951-K963 IonicContact OE1-NZ 3.1Å; E951-K963 PolarHBondContact OE1-NZ 3.35Å; E951-K963 IonicContact OE2-NZ 3.45Å; E951-K963 PolarHBondContact OE2-NZ 3.46Å; E951-L968 HydrophobicContact CB-CD2 4.01Å; E951-L968 HydrophobicContact CG-CD1 4.43Å; E951-L968 HydrophobicContact CG-CD2 4.03Å |
| 952 | I | 90.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.7 | -48.4 | 175.1 | -64.2 | 169 | 0 | 0 | 0 | 110.1 | L842 I845 C862 L904 L948 I949 E954 S955 I956 M962 | L842-I952 HydrophobicContact CB-CD1 4.45Å; L842-I952 HydrophobicContact CD1-CD1 4.11Å; I845-I952 HydrophobicContact CD1-CG2 3.92Å; C862-I952 VanDerWaalsContact SG-CG2 3.58Å; L904-I952 HydrophobicContact CD1-CD1 4.03Å; L904-I952 HydrophobicContact CD1-CG1 4.17Å; L904-I952 HydrophobicContact CD2-CD1 3.9Å; L904-I952 HydrophobicContact CD2-CG1 4.18Å; L904-I952 HydrophobicContact CG-CD1 4.42Å; L948-I952 HydrophobicContact CG-CD1 4.21Å; L948-I952 WeakPolarHBondContact O-CG1 3.42Å; L948-I952 PolarHBondContact O-N 3.28Å; I949-I952 PolarHBondContact O-N 3.45Å; I952-E954 VanDerWaalsContact C-N 3.32Å; I952-E954 PolarHBondContact O-N 2.84Å; I952-S955 WeakPolarHBondContact O-CB 3.5Å; I952-S955 PolarHBondContact O-N 2.9Å; I952-I956 HydrophobicContact CG2-CD1 3.88Å; I952-I956 HydrophobicContact CG2-CG1 4.46Å; I952-I956 VanDerWaalsContact O-CG1 3.31Å; I952-I956 WeakPolarHBondContact O-CG1 3.47Å; I952-I956 PolarHBondContact O-N 3.39Å; I952-M962 HydrophobicContact CG1-SD 4.04Å |
| 953 | L | 89.9 | Confident | 87.3 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -40.6 | 176.5 | -104.9 | 149.4 | 0 | 0 | 0 | 112.8 | Q859 C862 N863 L866 I949 K950 I956 K957 | Q859-L953 HydrophobicContact CG-CD2 3.96Å; C862-L953 HydrophobicContact CB-CD1 3.66Å; C862-L953 HydrophobicContact CB-CG 3.71Å; N863-L953 WeakPolarHBondContact OD1-CD2 3.36Å; L866-L953 HydrophobicContact CD2-CD1 4.01Å; I949-L953 HydrophobicContact CG2-CD1 4.23Å; I949-L953 WeakPolarHBondContact O-CB 3.49Å; I949-L953 PolarHBondContact O-N 3.41Å; K950-L953 PolarHBondContact O-N 3.42Å; L953-I956 PolarHBondContact O-N 3.17Å; L953-K957 WeakPolarHBondContact O-CB 3.47Å; L953-K957 WeakPolarHBondContact O-CG 3.17Å; L953-K957 PolarHBondContact O-N 3.36Å |
| 954 | E | 89.2 | Confident | 87 | Confident | 95 Ų | 95 | 51.8 Ų | 51.8 | 44% | 0.444 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 177.1 | -167.2 | 173.5 | 173.2 | 0 | 0 | 111.3 | K950 E951 I952 K957 T958 | K950-E954 WeakPolarHBondContact O-CB 3.4Å; K950-E954 PolarHBondContact O-N 3.41Å; E951-E954 PolarHBondContact O-N 3.27Å; I952-E954 VanDerWaalsContact C-N 3.32Å; I952-E954 PolarHBondContact O-N 2.84Å; E954-K957 PolarHBondContact O-N 2.88Å; E954-T958 HydrophobicContact CG-CG2 4.31Å; E954-T958 WeakPolarHBondContact O-CB 3.41Å; E954-T958 PolarHBondContact O-N 2.98Å; E954-T958 PolarHBondContact O-OG1 2.97Å |
| 955 | S | 87 | Confident | 86.5 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 173.8 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | E951 I952 K957 S959 K960 | E951-S955 WeakPolarHBondContact O-CB 3.18Å; E951-S955 PolarHBondContact O-N 3.43Å; I952-S955 WeakPolarHBondContact O-CB 3.5Å; I952-S955 PolarHBondContact O-N 2.9Å; S955-K957 PolarHBondContact O-N 3.46Å; S955-S959 WeakPolarHBondContact O-CA 3.31Å; S955-S959 PolarHBondContact O-N 3.22Å; S955-K960 PolarHBondContact OG-O 3.24Å |
| 956 | I | 85 | Confident | 86 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 7% | 0.067 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64 | -42.1 | 175.6 | -64.4 | 165.6 | 0 | 0 | 0 | 111.3 | I845 R855 L858 Q859 I952 L953 | I845-I956 HydrophobicContact CD1-CD1 4.36Å; I845-I956 HydrophobicContact CD1-CG1 3.66Å; I845-I956 HydrophobicContact CG1-CG1 4.35Å; R855-I956 PolarHBondContact NH2-O 3.49Å; L858-I956 HydrophobicContact CB-CD1 4.4Å; L858-I956 HydrophobicContact CD2-CD1 3.72Å; L858-I956 HydrophobicContact CD2-CG1 4.31Å; L858-I956 HydrophobicContact CG-CD1 3.79Å; Q859-I956 HydrophobicContact CB-CG2 4.34Å; I952-I956 HydrophobicContact CG2-CD1 3.88Å; I952-I956 HydrophobicContact CG2-CG1 4.46Å; I952-I956 VanDerWaalsContact O-CG1 3.31Å; I952-I956 WeakPolarHBondContact O-CG1 3.47Å; I952-I956 PolarHBondContact O-N 3.39Å; L953-I956 PolarHBondContact O-N 3.17Å |
| 957 | K | 83.8 | Confident | 85.6 | Confident | 137 Ų | 137 | 63.6 Ų | 63.6 | 60% | 0.596 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -75.4 | -37.8 | -177.6 | -73.5 | 177.7 | -178.9 | -178.3 | 0 | 113.7 | L953 E954 S955 | L953-K957 WeakPolarHBondContact O-CB 3.47Å; L953-K957 WeakPolarHBondContact O-CG 3.17Å; L953-K957 PolarHBondContact O-N 3.36Å; E954-K957 PolarHBondContact O-N 2.88Å; S955-K957 PolarHBondContact O-N 3.46Å |
| 958 | T | 83.4 | Confident | 85.3 | Confident | 66 Ų | 66 | 58.3 Ų | 58.3 | 41% | 0.405 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -102.8 | -7.5 | -173.1 | 64.8 | 0 | 0 | 0 | 0 | 113.7 | E954 K960 | E954-T958 HydrophobicContact CG-CG2 4.31Å; E954-T958 WeakPolarHBondContact O-CB 3.41Å; E954-T958 PolarHBondContact O-N 2.98Å; E954-T958 PolarHBondContact O-OG1 2.97Å; T958-K960 PolarHBondContact O-N 3.49Å; T958-K960 WeakPolarHBondContact OG1-CG 3.06Å |
| 959 | S | 75.3 | Confident | 84.8 | Confident | 92 Ų | 92 | 59.9 Ų | 59.9 | 64% | 0.643 | 31% | 0.307 | S | S | * | . | trans | 54.4 | 26.6 | -172.9 | -61.6 | 0 | 0 | 0 | 0 | 113.6 | R855 S955 | R855-S959 PolarHBondContact NH2-OG 3.39Å; S955-S959 WeakPolarHBondContact O-CA 3.31Å; S955-S959 PolarHBondContact O-N 3.22Å | ||
| 960 | K | 78.7 | Confident | 84.4 | Confident | 125 Ų | 125 | 61.5 Ų | 61.5 | 54% | 0.543 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 147.2 | 175.5 | -73.2 | -179.8 | -178.3 | 175.4 | 0 | 111.4 | S955 T958 | S955-K960 PolarHBondContact OG-O 3.24Å; T958-K960 PolarHBondContact O-N 3.49Å; T958-K960 WeakPolarHBondContact OG1-CG 3.06Å |
| 961 | P | 74.6 | Confident | 83.8 | Confident | 123 Ų | 123 | 61.1 Ų | 61.1 | 80% | 0.799 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 141.1 | 173.7 | 26.6 | -33.3 | 0 | 0 | 0 | 110.2 | ||
| 962 | M | 79.8 | Confident | 83 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 145.4 | -175.4 | -142.9 | -171.3 | 82.1 | 0 | 0 | 111.2 | F846 W903 L904 E951 I952 L968 | F846-M962 HydrophobicContact CZ-SD 4.38Å; W903-M962 HydrophobicContact CH2-CE 3.83Å; W903-M962 HydrophobicContact CZ2-CE 3.35Å; L904-M962 HydrophobicContact CD1-CE 4.33Å; L904-M962 HydrophobicContact CD1-SD 3.78Å; L904-M962 HydrophobicContact CD2-CE 3.33Å; L904-M962 HydrophobicContact CD2-SD 3.72Å; L904-M962 HydrophobicContact CG-CE 4.13Å; L904-M962 HydrophobicContact CG-SD 4.22Å; E951-M962 HydrophobicContact CG-CG 3.99Å; I952-M962 HydrophobicContact CG1-SD 4.04Å; M962-L968 HydrophobicContact CE-CD1 4.26Å |
| 963 | K | 83.9 | Confident | 82.6 | Confident | 80 Ų | 80 | 63.9 Ų | 63.9 | 35% | 0.348 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 149.7 | 173.4 | -69.6 | -179.1 | -168.9 | 114.9 | 0 | 111.8 | E951 E967 L968 | E951-K963 VanDerWaalsContact CD-NZ 3.26Å; E951-K963 HydrophobicContact CG-CB 4.44Å; E951-K963 WeakPolarHBondContact OE1-CG 3.04Å; E951-K963 IonicContact OE1-NZ 3.1Å; E951-K963 PolarHBondContact OE1-NZ 3.35Å; E951-K963 IonicContact OE2-NZ 3.45Å; E951-K963 PolarHBondContact OE2-NZ 3.46Å; K963-E967 HydrophobicContact CB-CB 4.21Å; K963-E967 WeakPolarHBondContact CB-OE2 3.41Å; K963-E967 VanDerWaalsContact CG-OE2 3.27Å; K963-E967 WeakPolarHBondContact CG-OE2 3.37Å; K963-L968 HydrophobicContact CB-CD1 4.37Å; K963-L968 HydrophobicContact CB-CD2 4.34Å; K963-L968 HydrophobicContact CB-CG 4.11Å |
| 964 | S | 83.7 | Confident | 82.3 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 33% | 0.329 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 158.1 | 177.3 | 76 | 0 | 0 | 0 | 0 | 111.2 | E966 E967 L968 | S964-E966 PolarHBondContact O-N 3.41Å; S964-E967 PolarHBondContact O-N 3.48Å; S964-E967 VanDerWaalsContact O-N 3.15Å; S964-L968 PolarHBondContact O-N 3.48Å |
| 965 | L | 82.6 | Confident | 81.9 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 5% | 0.052 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -52.1 | -41.6 | 176 | 173.5 | 62.2 | 0 | 0 | 0 | 111.4 | W903 V907 F944 E967 L968 L969 I978 I982 | W903-L965 HydrophobicContact CE3-CB 4.44Å; W903-L965 HydrophobicContact CE3-CD1 4.04Å; W903-L965 HydrophobicContact CH2-CB 3.9Å; W903-L965 HydrophobicContact CH2-CD1 3.9Å; W903-L965 HydrophobicContact CZ2-CB 3.98Å; W903-L965 HydrophobicContact CZ3-CB 4.17Å; W903-L965 HydrophobicContact CZ3-CD1 3.5Å; W903-L965 VanDerWaalsContact CZ3-CD1 3.5Å; W903-L965 HydrophobicContact CZ3-CG 4.35Å; V907-L965 HydrophobicContact CG1-CD1 4.33Å; V907-L965 HydrophobicContact CG2-CD1 4.25Å; F944-L965 HydrophobicContact CE2-CD1 4.28Å; F944-L965 HydrophobicContact CZ-CD1 3.78Å; L965-E967 VanDerWaalsContact C-N 3.32Å; L965-E967 PolarHBondContact O-N 2.89Å; L965-L968 PolarHBondContact O-N 3.21Å; L965-L969 HydrophobicContact CD1-CD2 4.49Å; L965-L969 WeakPolarHBondContact O-CG 3.35Å; L965-L969 PolarHBondContact O-N 2.64Å; L965-I978 HydrophobicContact CD2-CG2 4.21Å; L965-I982 HydrophobicContact CD2-CD1 3.9Å |
| 966 | E | 83.2 | Confident | 81.8 | Confident | 128 Ų | 128 | 71 Ų | 71 | 60% | 0.598 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63 | -35.6 | -177.4 | -64.6 | 154.4 | 165.6 | 0 | 0 | 112.8 | S964 L968 | S964-E966 PolarHBondContact O-N 3.41Å; E966-L968 VanDerWaalsContact C-N 3.34Å |
| 967 | E | 84.1 | Confident | 81.8 | Confident | 114 Ų | 114 | 73.6 Ų | 73.6 | 53% | 0.533 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -74.6 | -25.8 | 178 | -69.9 | -179.8 | -177 | 0 | 0 | 113.1 | R947 K963 S964 L965 | R947-E967 PolarHBondContact NH2-O 3.5Å; R947-E967 VanDerWaalsContact NH2-O 3.16Å; K963-E967 HydrophobicContact CB-CB 4.21Å; K963-E967 WeakPolarHBondContact CB-OE2 3.41Å; K963-E967 VanDerWaalsContact CG-OE2 3.27Å; K963-E967 WeakPolarHBondContact CG-OE2 3.37Å; S964-E967 PolarHBondContact O-N 3.48Å; S964-E967 VanDerWaalsContact O-N 3.15Å; L965-E967 VanDerWaalsContact C-N 3.32Å; L965-E967 PolarHBondContact O-N 2.89Å |
| 968 | L | 85.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -87 | -21.3 | -177.8 | -69.5 | 168.9 | 0 | 0 | 0 | 112.9 | W903 F944 R947 L948 E951 M962 K963 S964 L965 E966 | W903-L968 HydrophobicContact CH2-CD1 3.98Å; F944-L968 VanDerWaalsContact CD2-O 3.3Å; F944-L968 WeakPolarHBondContact CD2-O 3.3Å; F944-L968 HydrophobicContact CE2-CB 3.88Å; F944-L968 HydrophobicContact CZ-CB 4.49Å; R947-L968 HydrophobicContact CG-CD2 4.28Å; R947-L968 PolarHBondContact NH1-O 3.22Å; L948-L968 HydrophobicContact CD1-CD1 3.86Å; E951-L968 HydrophobicContact CB-CD2 4.01Å; E951-L968 HydrophobicContact CG-CD1 4.43Å; E951-L968 HydrophobicContact CG-CD2 4.03Å; M962-L968 HydrophobicContact CE-CD1 4.26Å; K963-L968 HydrophobicContact CB-CD1 4.37Å; K963-L968 HydrophobicContact CB-CD2 4.34Å; K963-L968 HydrophobicContact CB-CG 4.11Å; S964-L968 PolarHBondContact O-N 3.48Å; L965-L968 PolarHBondContact O-N 3.21Å; E966-L968 VanDerWaalsContact C-N 3.34Å |
| 969 | L | 83.3 | Confident | 81.8 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 18% | 0.178 | 37% | 0.373 | C | S | . | . | trans | -54.4 | 145 | -178.7 | -75.6 | 171.4 | 0 | 0 | 0 | 112.5 | F944 R947 L965 M973 I978 | F944-L969 HydrophobicContact CD2-CD2 4.39Å; F944-L969 HydrophobicContact CE2-CD2 4.06Å; F944-L969 HydrophobicContact CE2-CG 4.48Å; R947-L969 PolarHBondContact NH1-O 3.32Å; L965-L969 HydrophobicContact CD1-CD2 4.49Å; L965-L969 WeakPolarHBondContact O-CG 3.35Å; L965-L969 PolarHBondContact O-N 2.64Å; L969-M973 HydrophobicContact CD2-CB 3.94Å; L969-M973 HydrophobicContact CD2-CE 3.83Å; L969-M973 HydrophobicContact CD2-SD 4.28Å; L969-I978 HydrophobicContact CD2-CD1 4.16Å | ||
| 970 | V | 84.6 | Confident | 82.3 | Confident | 35 Ų | 35 | 67.5 Ų | 67.5 | 21% | 0.212 | 37% | 0.365 | C | S | . | . | trans | -114.1 | 158.5 | 178.8 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | N943 F944 G972 | N943-V970 HydrophobicContact CB-CG1 4.48Å; F944-V970 HydrophobicContact CB-CG2 3.99Å; F944-V970 HydrophobicContact CD2-CG2 4.32Å; V970-G972 PolarHBondContact O-N 3.17Å | ||
| 971 | S | 79.3 | Confident | 82.5 | Confident | 99 Ų | 99 | 61.7 Ų | 61.7 | 69% | 0.692 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 132.3 | 176.3 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | S940 | S940-S971 WeakPolarHBondContact CB-O 3.29Å; S940-S971 PolarHBondContact OG-O 3.26Å |
| 972 | G | 75.2 | Confident | 83 | Confident | 56 Ų | 56 | 56.6 Ų | 56.6 | 58% | 0.577 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.1 | 12.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V970 | V970-G972 PolarHBondContact O-N 3.17Š|
| 973 | M | 82.6 | Confident | 83.1 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -119.6 | 134.6 | 176.2 | -65 | 176.9 | 65.8 | 0 | 0 | 110.8 | V911 A936 F944 L969 I978 | V911-M973 HydrophobicContact CB-CE 4.37Å; V911-M973 HydrophobicContact CG1-CE 3.42Å; V911-M973 VanDerWaalsContact CG1-CE 3.42Å; A936-M973 HydrophobicContact CB-CE 4.39Å; A936-M973 HydrophobicContact CB-CG 3.91Å; A936-M973 HydrophobicContact CB-SD 4.4Å; F944-M973 HydrophobicContact CB-CE 4.2Å; F944-M973 HydrophobicContact CB-SD 3.56Å; F944-M973 VanDerWaalsContact CB-SD 3.56Å; F944-M973 HydrophobicContact CD1-CE 3.93Å; F944-M973 HydrophobicContact CD1-SD 4.4Å; F944-M973 HydrophobicContact CD2-CE 4.06Å; F944-M973 HydrophobicContact CD2-SD 3.95Å; F944-M973 HydrophobicContact CE1-CE 4.38Å; F944-M973 HydrophobicContact CE2-CE 4.47Å; F944-M973 HydrophobicContact CG-CE 3.77Å; F944-M973 HydrophobicContact CG-SD 3.7Å; L969-M973 HydrophobicContact CD2-CB 3.94Å; L969-M973 HydrophobicContact CD2-CE 3.83Å; L969-M973 HydrophobicContact CD2-SD 4.28Å; M973-I978 HydrophobicContact CB-CD1 4.08Å; M973-I978 HydrophobicContact CE-CD1 3.4Å; M973-I978 VanDerWaalsContact CE-CD1 3.4Å |
| 974 | D | 84 | Confident | 83 | Confident | 70 Ų | 70 | 60.7 Ų | 60.7 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | trans | -92.4 | 105.9 | 177.5 | -175 | -16.5 | 0 | 0 | 0 | 110.4 | K976 Q977 I978 | D974-K976 VanDerWaalsContact C-N 3.29Å; D974-K976 PolarHBondContact O-N 3.17Å; D974-K976 PolarHBondContact OD1-N 3.04Å; D974-Q977 HydrophobicContact CB-CB 4.1Å; D974-Q977 HydrophobicContact CB-CG 4.18Å; D974-Q977 PolarHBondContact O-N 2.77Å; D974-Q977 PolarHBondContact OD1-N 3.14Å; D974-Q977 WeakPolarHBondContact OD2-CG 3.21Å; D974-Q977 PolarHBondContact OD2-NE2 3.24Å; D974-I978 WeakPolarHBondContact O-CG1 3.38Å; D974-I978 PolarHBondContact O-N 3.38Å; D974-I978 VanDerWaalsContact O-N 3.1Å | ||
| 975 | S | 81.4 | Confident | 82.9 | Confident | 42 Ų | 42 | 58.8 Ų | 58.8 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -47.7 | -47.8 | 177.2 | 155.1 | 0 | 0 | 0 | 0 | 112.6 | I978 H979 | S975-I978 PolarHBondContact O-N 3.14Å; S975-H979 WeakPolarHBondContact O-CB 3.42Å; S975-H979 PolarHBondContact O-N 2.76Å |
| 976 | K | 83.8 | Confident | 82.9 | Confident | 159 Ų | 159 | 61.2 Ų | 61.2 | 69% | 0.691 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68.1 | -46.4 | -175.2 | -85.2 | -174.7 | 174.2 | -179.1 | 0 | 111.4 | D974 I978 H979 D980 | D974-K976 VanDerWaalsContact C-N 3.29Å; D974-K976 PolarHBondContact O-N 3.17Å; D974-K976 PolarHBondContact OD1-N 3.04Å; K976-I978 VanDerWaalsContact C-N 3.27Å; K976-I978 PolarHBondContact O-N 3.17Å; K976-H979 PolarHBondContact O-N 3.22Å; K976-D980 WeakPolarHBondContact O-CB 3.24Å; K976-D980 VanDerWaalsContact O-CG 3.27Å; K976-D980 PolarHBondContact O-N 3.33Å |
| 977 | Q | 84.7 | Confident | 82.9 | Confident | 67 Ų | 67 | 55.2 Ų | 55.2 | 31% | 0.313 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 179.9 | -73.2 | -175.9 | 49.2 | 0 | 0 | 112.2 | Y935 D974 A981 | Y935-Q977 HydrophobicContact CD1-CB 4.32Å; D974-Q977 HydrophobicContact CB-CB 4.1Å; D974-Q977 HydrophobicContact CB-CG 4.18Å; D974-Q977 PolarHBondContact O-N 2.77Å; D974-Q977 PolarHBondContact OD1-N 3.14Å; D974-Q977 WeakPolarHBondContact OD2-CG 3.21Å; D974-Q977 PolarHBondContact OD2-NE2 3.24Å; Q977-A981 VanDerWaalsContact O-CB 3.27Å; Q977-A981 WeakPolarHBondContact O-CB 3.44Å; Q977-A981 PolarHBondContact O-N 3.21Å |
| 978 | I | 84.4 | Confident | 82.9 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 177.1 | -67.5 | 170.7 | 0 | 0 | 0 | 110.1 | V907 L965 L969 M973 D974 S975 K976 A981 I982 | V907-I978 HydrophobicContact CG2-CG2 4.01Å; L965-I978 HydrophobicContact CD2-CG2 4.21Å; L969-I978 HydrophobicContact CD2-CD1 4.16Å; M973-I978 HydrophobicContact CB-CD1 4.08Å; M973-I978 HydrophobicContact CE-CD1 3.4Å; M973-I978 VanDerWaalsContact CE-CD1 3.4Å; D974-I978 WeakPolarHBondContact O-CG1 3.38Å; D974-I978 PolarHBondContact O-N 3.38Å; D974-I978 VanDerWaalsContact O-N 3.1Å; S975-I978 PolarHBondContact O-N 3.14Å; K976-I978 VanDerWaalsContact C-N 3.27Å; K976-I978 PolarHBondContact O-N 3.17Å; I978-A981 PolarHBondContact O-N 3.07Å; I978-I982 HydrophobicContact CG2-CD1 3.91Å; I978-I982 HydrophobicContact CG2-CG1 4.42Å; I978-I982 WeakPolarHBondContact O-CD1 3.38Å; I978-I982 VanDerWaalsContact O-CG1 3.22Å; I978-I982 WeakPolarHBondContact O-CG1 3.4Å; I978-I982 PolarHBondContact O-N 2.97Å |
| 979 | H | 84.3 | Confident | 82.8 | Confident | 74 Ų | 74 | 54.6 Ų | 54.6 | 34% | 0.343 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 177.9 | -119.3 | 6.8 | 0 | 0 | 0 | 112.8 | S975 K976 A981 I982 Q983 | S975-H979 WeakPolarHBondContact O-CB 3.42Å; S975-H979 PolarHBondContact O-N 2.76Å; K976-H979 PolarHBondContact O-N 3.22Å; H979-A981 VanDerWaalsContact C-N 3.29Å; H979-A981 PolarHBondContact O-N 3.42Å; H979-I982 PolarHBondContact O-N 2.93Å; H979-Q983 WeakPolarHBondContact O-CG 3.44Å; H979-Q983 PolarHBondContact O-N 3.06Å; H979-Q983 VanDerWaalsContact O-N 3.1Å |
| 980 | D | 84.3 | Confident | 83 | Confident | 91 Ų | 91 | 53.3 Ų | 53.3 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 176.4 | -67.8 | -18.2 | 0 | 0 | 0 | 110.9 | K976 Q983 L984 | K976-D980 WeakPolarHBondContact O-CB 3.24Å; K976-D980 VanDerWaalsContact O-CG 3.27Å; K976-D980 PolarHBondContact O-N 3.33Å; D980-Q983 PolarHBondContact O-N 3.32Å; D980-L984 WeakPolarHBondContact O-CG 3.42Å; D980-L984 PolarHBondContact O-N 2.75Å; D980-L984 VanDerWaalsContact O-N 3.14Å |
| 981 | A | 84.7 | Confident | 83.1 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 3% | 0.033 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L910 I930 Y935 Q977 I978 H979 Q983 L984 F985 | L910-A981 HydrophobicContact CD1-CB 3.98Å; I930-A981 HydrophobicContact CG2-CB 4.29Å; Y935-A981 HydrophobicContact CD1-CB 4.38Å; Y935-A981 HydrophobicContact CE1-CB 3.6Å; Y935-A981 HydrophobicContact CE2-CB 4.29Å; Q977-A981 VanDerWaalsContact O-CB 3.27Å; Q977-A981 WeakPolarHBondContact O-CB 3.44Å; Q977-A981 PolarHBondContact O-N 3.21Å; I978-A981 PolarHBondContact O-N 3.07Å; H979-A981 VanDerWaalsContact C-N 3.29Å; H979-A981 PolarHBondContact O-N 3.42Å; A981-Q983 VanDerWaalsContact C-N 3.31Å; A981-Q983 PolarHBondContact O-N 3.14Å; A981-L984 PolarHBondContact O-N 3.02Å; A981-F985 VanDerWaalsContact O-CB 3.24Å; A981-F985 WeakPolarHBondContact O-CB 3.25Å; A981-F985 PolarHBondContact O-N 2.95Å |
| 982 | I | 84.1 | Confident | 83.4 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 8% | 0.077 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.4 | -43.6 | 177.1 | -65.4 | 160 | 0 | 0 | 0 | 110.8 | W903 V907 L910 L965 I978 H979 L984 F985 | W903-I982 HydrophobicContact CB-CD1 4.38Å; W903-I982 HydrophobicContact CB-CG2 4.1Å; V907-I982 HydrophobicContact CG2-CD1 3.24Å; V907-I982 HydrophobicContact CG2-CG1 3.72Å; L910-I982 HydrophobicContact CD1-CG1 4.12Å; L965-I982 HydrophobicContact CD2-CD1 3.9Å; I978-I982 HydrophobicContact CG2-CD1 3.91Å; I978-I982 HydrophobicContact CG2-CG1 4.42Å; I978-I982 WeakPolarHBondContact O-CD1 3.38Å; I978-I982 VanDerWaalsContact O-CG1 3.22Å; I978-I982 WeakPolarHBondContact O-CG1 3.4Å; I978-I982 PolarHBondContact O-N 2.97Å; H979-I982 PolarHBondContact O-N 2.93Å; I982-L984 VanDerWaalsContact C-N 3.34Å; I982-L984 PolarHBondContact O-N 3.5Å; I982-F985 PolarHBondContact O-N 3.48Å |
| 983 | Q | 82 | Confident | 83.9 | Confident | 111 Ų | 111 | 51.4 Ų | 51.4 | 52% | 0.519 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.9 | -27.3 | -177.3 | -71.7 | -173.7 | 7.1 | 0 | 0 | 114.2 | K898 H979 D980 A981 | K898-Q983 PolarHBondContact NZ-O 2.97Å; H979-Q983 WeakPolarHBondContact O-CG 3.44Å; H979-Q983 PolarHBondContact O-N 3.06Å; H979-Q983 VanDerWaalsContact O-N 3.1Å; D980-Q983 PolarHBondContact O-N 3.32Å; A981-Q983 VanDerWaalsContact C-N 3.31Å; A981-Q983 PolarHBondContact O-N 3.14Å |
| 984 | L | 80.7 | Confident | 84.3 | Confident | 93 Ų | 93 | 50.4 Ų | 50.4 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -90.2 | -18.9 | 178.8 | -68.3 | 169.2 | 0 | 0 | 0 | 112.7 | I930 D980 A981 I982 D986 | I930-L984 HydrophobicContact CD1-CB 3.51Å; D980-L984 WeakPolarHBondContact O-CG 3.42Å; D980-L984 PolarHBondContact O-N 2.75Å; D980-L984 VanDerWaalsContact O-N 3.14Å; A981-L984 PolarHBondContact O-N 3.02Å; I982-L984 VanDerWaalsContact C-N 3.34Å; I982-L984 PolarHBondContact O-N 3.5Å; L984-D986 PolarHBondContact O-N 3.47Å |
| 985 | F | 81.6 | Confident | 84.5 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -79.6 | 115.8 | -177.2 | -165.1 | -97 | 0 | 0 | 0 | 112.5 | R906 Y909 L910 N927 I930 A981 I982 R987 F990 | R906-F985 HydrophobicContact CG-CD1 4.01Å; R906-F985 PolarHBondContact NE-O 2.96Å; R906-F985 PolarHBondContact NH2-O 3.42Å; Y909-F985 HydrophobicContact CD1-CE1 4.49Å; Y909-F985 HydrophobicContact CD1-CE2 4.32Å; Y909-F985 AromaticContact CD1-CZ 3.87Å; Y909-F985 HydrophobicContact CD1-CZ 3.87Å; Y909-F985 AromaticContact CE1-CE2 3.73Å; Y909-F985 HydrophobicContact CE1-CE2 3.73Å; Y909-F985 AromaticContact CE1-CZ 3.55Å; Y909-F985 HydrophobicContact CE1-CZ 3.55Å; L910-F985 HydrophobicContact CD2-CD2 4.43Å; N927-F985 HydrophobicContact CB-CE2 4.43Å; N927-F985 WeakPolarHBondContact OD1-CA 3.22Å; I930-F985 HydrophobicContact CB-CD2 4.32Å; I930-F985 HydrophobicContact CD1-CB 4.44Å; I930-F985 HydrophobicContact CG2-CD2 3.72Å; I930-F985 HydrophobicContact CG2-CE2 4.4Å; A981-F985 VanDerWaalsContact O-CB 3.24Å; A981-F985 WeakPolarHBondContact O-CB 3.25Å; A981-F985 PolarHBondContact O-N 2.95Å; I982-F985 PolarHBondContact O-N 3.48Å; F985-R987 PolarHBondContact O-N 3.29Å; F985-F990 HydrophobicContact CE1-CB 3.72Å; F985-F990 HydrophobicContact CE1-CD1 4.05Å; F985-F990 AromaticContact CE1-CD2 3.65Å; F985-F990 HydrophobicContact CE1-CD2 3.65Å; F985-F990 HydrophobicContact CE1-CE2 4.19Å; F985-F990 AromaticContact CE1-CG 3.53Å; F985-F990 HydrophobicContact CE1-CG 3.53Å; F985-F990 HydrophobicContact CZ-CB 4.11Å; F985-F990 AromaticContact CZ-CD2 3.45Å; F985-F990 HydrophobicContact CZ-CD2 3.45Å; F985-F990 VanDerWaalsContact CZ-CD2 3.45Å; F985-F990 AromaticContact CZ-CE2 3.92Å; F985-F990 HydrophobicContact CZ-CE2 3.92Å; F985-F990 AromaticContact CZ-CG 3.84Å; F985-F990 HydrophobicContact CZ-CG 3.84Å |
| 986 | D | 83.2 | Confident | 84.7 | Confident | 62 Ų | 62 | 47.6 Ų | 47.6 | 33% | 0.332 | 24% | 0.24 | S | C | . | . | trans | -74.6 | 106.6 | 176.3 | 176.3 | 16.5 | 0 | 0 | 0 | 110.9 | N927 L984 N988 S989 F990 | N927-D986 PolarHBondContact ND2-O 3.29Å; N927-D986 VanDerWaalsContact ND2-O 3.11Å; N927-D986 PolarHBondContact OD1-N 2.96Å; L984-D986 PolarHBondContact O-N 3.47Å; D986-N988 PolarHBondContact OD1-N 3.05Å; D986-N988 VanDerWaalsContact OD1-N 3.08Å; D986-S989 WeakPolarHBondContact OD2-CB 3.48Å; D986-F990 WeakPolarHBondContact O-CB 3.32Å; D986-F990 PolarHBondContact O-N 3.48Å | ||
| 987 | R | 84.4 | Confident | 84.8 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -75.3 | -33.1 | -179.2 | 174.1 | 176.1 | 170.6 | -76.2 | -2 | 113.1 | D841 D843 I893 F985 F990 M991 | D841-R987 IonicContact OD2-CZ 2.73Å; D841-R987 IonicContact OD2-NH2 3.06Å; D841-R987 PolarHBondContact OD2-NH2 3.2Å; D843-R987 IonicContact OD2-NE 2.62Å; D843-R987 PolarHBondContact OD2-NE 3.46Å; I893-R987 PolarHBondContact O-NH1 2.92Å; F985-R987 PolarHBondContact O-N 3.29Å; R987-F990 PolarHBondContact O-N 3.39Å; R987-M991 HydrophobicContact CG-CG 3.89Å; R987-M991 WeakPolarHBondContact O-CB 3.3Å; R987-M991 WeakPolarHBondContact O-CG 3.42Å; R987-M991 PolarHBondContact O-N 3.27Å |
| 988 | N | 83.5 | Confident | 85 | Confident | 47 Ų | 47 | 36.8 Ų | 36.8 | 25% | 0.251 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.3 | -48.6 | -175 | -72.1 | -28.9 | 0 | 0 | 0 | 109.8 | E895 D986 Q992 | E895-N988 PolarHBondContact N-OD1 2.88Å; E895-N988 PolarHBondContact O-ND2 3.45Å; D986-N988 PolarHBondContact OD1-N 3.05Å; D986-N988 VanDerWaalsContact OD1-N 3.08Å; N988-Q992 VanDerWaalsContact O-CB 3.3Å; N988-Q992 WeakPolarHBondContact O-CB 3.33Å; N988-Q992 PolarHBondContact O-N 3.49Å |
| 989 | S | 82.5 | Confident | 84.9 | Confident | 54 Ų | 54 | 38.6 Ų | 38.6 | 38% | 0.378 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 174.9 | -179 | 0 | 0 | 0 | 0 | 112 | D986 Q992 M993 | D986-S989 WeakPolarHBondContact OD2-CB 3.48Å; S989-Q992 PolarHBondContact O-N 3.38Å; S989-M993 PolarHBondContact O-N 3.47Å |
| 990 | F | 86.9 | Confident | 84.6 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.4 | -53.8 | 176.9 | 169.9 | -98.2 | 0 | 0 | 0 | 112.9 | Y887 T905 Y909 F985 D986 R987 Q992 M993 H994 | Y887-F990 AromaticContact CD2-CE1 3.85Å; Y887-F990 HydrophobicContact CD2-CE1 3.85Å; Y887-F990 AromaticContact CD2-CZ 3.7Å; Y887-F990 HydrophobicContact CD2-CZ 3.7Å; Y887-F990 HydrophobicContact CE2-CE1 4.14Å; Y887-F990 AromaticContact CE2-CZ 3.73Å; Y887-F990 HydrophobicContact CE2-CZ 3.73Å; T905-F990 HydrophobicContact CG2-CE1 4.17Å; Y909-F990 HydrophobicContact CD1-CE2 4.06Å; Y909-F990 HydrophobicContact CD1-CZ 4.36Å; Y909-F990 AromaticContact CD2-CE2 3.95Å; Y909-F990 HydrophobicContact CD2-CE2 3.95Å; Y909-F990 HydrophobicContact CD2-CZ 4.14Å; Y909-F990 HydrophobicContact CE1-CE2 4.15Å; Y909-F990 HydrophobicContact CE2-CE2 4.04Å; Y909-F990 AromaticContact CG-CE2 3.97Å; Y909-F990 HydrophobicContact CG-CE2 3.97Å; Y909-F990 AromaticContact CG-CZ 3.98Å; Y909-F990 HydrophobicContact CG-CZ 3.98Å; F985-F990 HydrophobicContact CE1-CB 3.72Å; F985-F990 HydrophobicContact CE1-CD1 4.05Å; F985-F990 AromaticContact CE1-CD2 3.65Å; F985-F990 HydrophobicContact CE1-CD2 3.65Å; F985-F990 HydrophobicContact CE1-CE2 4.19Å; F985-F990 AromaticContact CE1-CG 3.53Å; F985-F990 HydrophobicContact CE1-CG 3.53Å; F985-F990 HydrophobicContact CZ-CB 4.11Å; F985-F990 AromaticContact CZ-CD2 3.45Å; F985-F990 HydrophobicContact CZ-CD2 3.45Å; F985-F990 VanDerWaalsContact CZ-CD2 3.45Å; F985-F990 AromaticContact CZ-CE2 3.92Å; F985-F990 HydrophobicContact CZ-CE2 3.92Å; F985-F990 AromaticContact CZ-CG 3.84Å; F985-F990 HydrophobicContact CZ-CG 3.84Å; D986-F990 WeakPolarHBondContact O-CB 3.32Å; D986-F990 PolarHBondContact O-N 3.48Å; R987-F990 PolarHBondContact O-N 3.39Å; F990-Q992 VanDerWaalsContact C-N 3.3Å; F990-Q992 PolarHBondContact O-N 2.86Å; F990-M993 PolarHBondContact O-N 3.3Å; F990-H994 AromaticContact CD2-CD2 3.57Å; F990-H994 AromaticContact CD2-NE2 3.56Å; F990-H994 AromaticContact CE2-CD2 3.37Å; F990-H994 WeakPolarHBondContact CE2-CD2 3.45Å; F990-H994 AromaticContact CE2-CE1 3.82Å; F990-H994 AromaticContact CE2-NE2 2.96Å; F990-H994 WeakPolarHBondContact CE2-NE2 3.49Å; F990-H994 AromaticContact CZ-CD2 3.66Å; F990-H994 AromaticContact CZ-CE1 3.88Å; F990-H994 AromaticContact CZ-NE2 3.41Å; F990-H994 WeakPolarHBondContact CZ-NE2 3.37Å; F990-H994 PolarHBondContact O-CD2 2.91Å; F990-H994 VanDerWaalsContact O-CD2 3.27Å; F990-H994 PolarHBondContact O-N 3.25Å |
| 991 | M | 87.4 | Confident | 84.5 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.1 | -36.2 | -178.6 | -73.2 | -56.6 | -59.8 | 0 | 0 | 111.9 | D841 P889 T905 R987 S995 | D841-M991 HydrophobicContact CB-CE 3.66Å; P889-M991 HydrophobicContact CB-CE 3.97Å; P889-M991 HydrophobicContact CG-CE 3.57Å; T905-M991 HydrophobicContact CG2-SD 4.08Å; R987-M991 HydrophobicContact CG-CG 3.89Å; R987-M991 WeakPolarHBondContact O-CB 3.3Å; R987-M991 WeakPolarHBondContact O-CG 3.42Å; R987-M991 PolarHBondContact O-N 3.27Å; M991-S995 WeakPolarHBondContact O-CB 3.13Å; M991-S995 PolarHBondContact O-N 2.91Å |
| 992 | Q | 86.1 | Confident | 84.5 | Confident | 120 Ų | 120 | 38.1 Ų | 38.1 | 56% | 0.561 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -64.3 | -42.9 | 175.9 | -172.4 | 172.4 | -1.6 | 0 | 0 | 111.3 | N988 S989 F990 T996 | N988-Q992 VanDerWaalsContact O-CB 3.3Å; N988-Q992 WeakPolarHBondContact O-CB 3.33Å; N988-Q992 PolarHBondContact O-N 3.49Å; S989-Q992 PolarHBondContact O-N 3.38Å; F990-Q992 VanDerWaalsContact C-N 3.3Å; F990-Q992 PolarHBondContact O-N 2.86Å; Q992-T996 WeakPolarHBondContact O-CB 3.48Å; Q992-T996 PolarHBondContact O-N 3.49Å; Q992-T996 PolarHBondContact O-OG1 3.16Å |
| 993 | M | 85.2 | Confident | 84.4 | Confident | 28 Ų | 28 | 38.8 Ų | 38.8 | 14% | 0.138 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.2 | -51 | 176.8 | -167.8 | -175.7 | -164.3 | 0 | 0 | 111.6 | L810 S813 F814 S989 F990 S995 T996 I997 | L810-M993 HydrophobicContact CD1-CE 4.37Å; L810-M993 HydrophobicContact CD1-CG 4.45Å; S813-M993 WeakPolarHBondContact OG-CE 3.46Å; F814-M993 VanDerWaalsContact CA-CE 3.46Å; F814-M993 HydrophobicContact CB-CE 3.81Å; F814-M993 HydrophobicContact CD2-CE 4.46Å; F814-M993 HydrophobicContact CD2-CG 4.16Å; F814-M993 HydrophobicContact CD2-SD 4.24Å; S989-M993 PolarHBondContact O-N 3.47Å; F990-M993 PolarHBondContact O-N 3.3Å; M993-S995 PolarHBondContact O-N 3.37Å; M993-T996 PolarHBondContact O-N 3.33Å; M993-I997 WeakPolarHBondContact O-CG1 3.28Å; M993-I997 PolarHBondContact O-N 3.42Å |
| 994 | H | 91.3 | Very high | 84.6 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.2 | -45 | 178.2 | -82.8 | -102.1 | 0 | 0 | 0 | 112.4 | F814 Y887 F990 T996 I997 A998 | F814-H994 HydrophobicContact CE2-CB 4.32Å; F814-H994 AromaticContact CE2-CD2 3.6Å; F814-H994 AromaticContact CE2-CE1 3.4Å; F814-H994 WeakPolarHBondContact CE2-CE1 3.26Å; F814-H994 AromaticContact CE2-CG 3.57Å; F814-H994 AromaticContact CE2-ND1 3.44Å; F814-H994 WeakPolarHBondContact CE2-ND1 3.23Å; F814-H994 AromaticContact CE2-NE2 3.48Å; F814-H994 WeakPolarHBondContact CE2-NE2 3.04Å; F814-H994 AromaticContact CZ-CE1 3.58Å; F814-H994 AromaticContact CZ-ND1 3.58Å; Y887-H994 AromaticContact CD2-CE1 3.96Å; Y887-H994 AromaticContact CD2-ND1 3.64Å; Y887-H994 PolarHBondContact N-ND1 3.33Å; Y887-H994 CarbonylContact O-C 3.32Å; Y887-H994 WeakPolarHBondContact O-CB 3.27Å; F990-H994 AromaticContact CD2-CD2 3.57Å; F990-H994 AromaticContact CD2-NE2 3.56Å; F990-H994 AromaticContact CE2-CD2 3.37Å; F990-H994 WeakPolarHBondContact CE2-CD2 3.45Å; F990-H994 AromaticContact CE2-CE1 3.82Å; F990-H994 AromaticContact CE2-NE2 2.96Å; F990-H994 WeakPolarHBondContact CE2-NE2 3.49Å; F990-H994 AromaticContact CZ-CD2 3.66Å; F990-H994 AromaticContact CZ-CE1 3.88Å; F990-H994 AromaticContact CZ-NE2 3.41Å; F990-H994 WeakPolarHBondContact CZ-NE2 3.37Å; F990-H994 PolarHBondContact O-CD2 2.91Å; F990-H994 VanDerWaalsContact O-CD2 3.27Å; F990-H994 PolarHBondContact O-N 3.25Å; H994-T996 VanDerWaalsContact C-N 3.35Å; H994-T996 PolarHBondContact O-N 2.89Å; H994-I997 PolarHBondContact O-N 3.04Å; H994-A998 PolarHBondContact O-N 2.92Å |
| 995 | S | 88.1 | Confident | 84.8 | Confident | 14 Ų | 14 | 36.3 Ų | 36.3 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 176.9 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | Y887 M991 M993 I997 A998 C999 | Y887-S995 PolarHBondContact O-N 3.13Å; M991-S995 WeakPolarHBondContact O-CB 3.13Å; M991-S995 PolarHBondContact O-N 2.91Å; M993-S995 PolarHBondContact O-N 3.37Å; S995-I997 PolarHBondContact O-N 2.8Å; S995-A998 PolarHBondContact O-N 3.41Å; S995-C999 WeakPolarHBondContact O-CB 3.49Å; S995-C999 PolarHBondContact O-N 3.19Å; S995-C999 PolarHBondContact O-SG 2.92Å; S995-C999 VanDerWaalsContact O-SG 3.37Å |
| 996 | T | 85.2 | Confident | 85.1 | Confident | 38 Ų | 38 | 39.4 Ų | 39.4 | 23% | 0.233 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 177.8 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | L810 Q992 M993 H994 C999 Q1000 | L810-T996 HydrophobicContact CD2-CG2 3.72Å; Q992-T996 WeakPolarHBondContact O-CB 3.48Å; Q992-T996 PolarHBondContact O-N 3.49Å; Q992-T996 PolarHBondContact O-OG1 3.16Å; M993-T996 PolarHBondContact O-N 3.33Å; H994-T996 VanDerWaalsContact C-N 3.35Å; H994-T996 PolarHBondContact O-N 2.89Å; T996-C999 PolarHBondContact O-N 2.82Å; T996-Q1000 HydrophobicContact CG2-CG 4.14Å; T996-Q1000 VanDerWaalsContact CG2-OE1 3.25Å; T996-Q1000 VanDerWaalsContact O-CB 3.26Å; T996-Q1000 WeakPolarHBondContact O-CB 3.46Å; T996-Q1000 PolarHBondContact O-N 3.47Å |
| 997 | I | 87.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -62.1 | -47 | 176.2 | -65.2 | -71.4 | 0 | 0 | 0 | 111.1 | L810 L811 F814 M993 H994 S995 C999 I1001 I1002 | L810-I997 HydrophobicContact CD2-CD1 4.01Å; L810-I997 HydrophobicContact CG-CD1 3.84Å; L811-I997 HydrophobicContact CD1-CD1 4.31Å; F814-I997 HydrophobicContact CB-CD1 3.87Å; F814-I997 HydrophobicContact CB-CG1 4.02Å; F814-I997 HydrophobicContact CD1-CD1 4.42Å; F814-I997 HydrophobicContact CD1-CG1 4.15Å; F814-I997 HydrophobicContact CD1-CG2 4.15Å; F814-I997 HydrophobicContact CD2-CD1 4.47Å; F814-I997 HydrophobicContact CD2-CG1 3.7Å; F814-I997 HydrophobicContact CE1-CG2 4.08Å; F814-I997 HydrophobicContact CE2-CG1 4.14Å; F814-I997 HydrophobicContact CG-CD1 4.02Å; F814-I997 HydrophobicContact CG-CG1 3.68Å; F814-I997 HydrophobicContact CZ-CG2 4.38Å; M993-I997 WeakPolarHBondContact O-CG1 3.28Å; M993-I997 PolarHBondContact O-N 3.42Å; H994-I997 PolarHBondContact O-N 3.04Å; S995-I997 PolarHBondContact O-N 2.8Å; I997-C999 PolarHBondContact O-N 2.76Å; I997-I1001 HydrophobicContact CD1-CD1 3.47Å; I997-I1001 VanDerWaalsContact CD1-CD1 3.47Å; I997-I1001 HydrophobicContact CD1-CG1 4.31Å; I997-I1001 WeakPolarHBondContact O-CA 3.28Å; I997-I1001 WeakPolarHBondContact O-CB 3.28Å; I997-I1001 PolarHBondContact O-N 3.12Å; I997-I1002 HydrophobicContact CG2-CD1 4.39Å; I997-I1002 PolarHBondContact O-N 2.92Å; I997-I1002 VanDerWaalsContact O-N 3.08Å |
| 998 | A | 88 | Confident | 85.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -61.6 | -44.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V886 N888 H994 S995 I1002 G1003 L1004 | V886-A998 HydrophobicContact CG1-CB 4.45Å; N888-A998 HydrophobicContact CB-CB 3.63Å; H994-A998 PolarHBondContact O-N 2.92Å; S995-A998 PolarHBondContact O-N 3.41Å; A998-I1002 WeakPolarHBondContact O-CB 3.32Å; A998-G1003 PolarHBondContact O-N 3.44Å; A998-L1004 PolarHBondContact O-N 2.75Å |
| 999 | C | 83.2 | Confident | 85.9 | Confident | 39 Ų | 39 | 37.1 Ų | 37.1 | 26% | 0.264 | 20% | 0.201 | S | C | . | . | I | π-helix | trans | -77.7 | -44.6 | -176.6 | -66.1 | 0 | 0 | 0 | 0 | 113.4 | S995 T996 I997 G1003 L1004 | S995-C999 WeakPolarHBondContact O-CB 3.49Å; S995-C999 PolarHBondContact O-N 3.19Å; S995-C999 PolarHBondContact O-SG 2.92Å; S995-C999 VanDerWaalsContact O-SG 3.37Å; T996-C999 PolarHBondContact O-N 2.82Å; I997-C999 PolarHBondContact O-N 2.76Å; C999-G1003 WeakPolarHBondContact O-CA 3.47Å; C999-L1004 VanDerWaalsContact CA-O 3.29Å; C999-L1004 WeakPolarHBondContact CA-O 3.28Å |
| 1000 | Q | 78 | Confident | 86.5 | Confident | 134 Ų | 134 | 34.5 Ų | 34.5 | 63% | 0.626 | 18% | 0.183 | S | C | * | . | I | π-helix | trans | -92.5 | -32 | -171.2 | -62.1 | -175.2 | -13.2 | 0 | 0 | 113.9 | T996 | T996-Q1000 HydrophobicContact CG2-CG 4.14Å; T996-Q1000 VanDerWaalsContact CG2-OE1 3.25Å; T996-Q1000 VanDerWaalsContact O-CB 3.26Å; T996-Q1000 WeakPolarHBondContact O-CB 3.46Å; T996-Q1000 PolarHBondContact O-N 3.47Å |
| 1001 | I | 81.4 | Confident | 87 | Confident | 21 Ų | 21 | 34.2 Ų | 34.2 | 11% | 0.108 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -101.4 | -47.7 | -174.9 | -55 | -168.2 | 0 | 0 | 0 | 111.3 | I788 T807 L811 I997 G1003 | I788-I1001 HydrophobicContact CG2-CG2 4.23Å; T807-I1001 HydrophobicContact CG2-CG1 4.34Å; L811-I1001 HydrophobicContact CB-CD1 3.79Å; L811-I1001 HydrophobicContact CD1-CD1 4.15Å; L811-I1001 HydrophobicContact CD1-CG2 4.43Å; L811-I1001 HydrophobicContact CD2-CG2 4.41Å; L811-I1001 HydrophobicContact CG-CD1 4.4Å; I997-I1001 HydrophobicContact CD1-CD1 3.47Å; I997-I1001 VanDerWaalsContact CD1-CD1 3.47Å; I997-I1001 HydrophobicContact CD1-CG1 4.31Å; I997-I1001 WeakPolarHBondContact O-CA 3.28Å; I997-I1001 WeakPolarHBondContact O-CB 3.28Å; I997-I1001 PolarHBondContact O-N 3.12Å; I1001-G1003 VanDerWaalsContact C-N 3.31Å |
| 1002 | I | 84.5 | Confident | 87.3 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -77.7 | -24.5 | 178.1 | -53.3 | 174.7 | 0 | 0 | 0 | 110.3 | P785 V838 V886 I997 A998 L1004 I1012 I1017 | P785-I1002 WeakPolarHBondContact CG-O 3.29Å; V838-I1002 HydrophobicContact CG2-CD1 4.18Å; V886-I1002 HydrophobicContact CG1-CD1 4.41Å; I997-I1002 HydrophobicContact CG2-CD1 4.39Å; I997-I1002 PolarHBondContact O-N 2.92Å; I997-I1002 VanDerWaalsContact O-N 3.08Å; A998-I1002 WeakPolarHBondContact O-CB 3.32Å; I1002-L1004 HydrophobicContact CB-CD1 4.34Å; I1002-L1004 HydrophobicContact CB-CG 4.29Å; I1002-L1004 HydrophobicContact CG2-CD1 3.75Å; I1002-L1004 HydrophobicContact CG2-CD2 4.46Å; I1002-L1004 HydrophobicContact CG2-CG 3.76Å; I1002-I1012 HydrophobicContact CD1-CD1 3.94Å; I1002-I1012 HydrophobicContact CG2-CD1 4.49Å; I1002-I1017 HydrophobicContact CG2-CD1 3.92Å; I1002-I1017 HydrophobicContact CG2-CG1 4.15Å; I1002-I1017 HydrophobicContact CG2-CG2 4.06Å |
| 1003 | G | 82.3 | Confident | 87.7 | Confident | 29 Ų | 29 | 29 Ų | 29 | 30% | 0.299 | 16% | 0.157 | S | C | . | . | trans | 78.7 | 31.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | A998 C999 I1001 | A998-G1003 PolarHBondContact O-N 3.44Å; C999-G1003 WeakPolarHBondContact O-CA 3.47Å; I1001-G1003 VanDerWaalsContact C-N 3.31Å | ||
| 1004 | L | 85.3 | Confident | 88.1 | Confident | 7 Ų | 7 | 27.8 Ų | 27.8 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -93.5 | 146.5 | 177.9 | -61.9 | 173.6 | 0 | 0 | 0 | 111 | V838 A998 C999 I1002 E1008 A1010 P1020 | V838-L1004 HydrophobicContact CB-CD1 4.22Å; V838-L1004 HydrophobicContact CG1-CD1 3.8Å; V838-L1004 HydrophobicContact CG2-CD1 4.13Å; A998-L1004 PolarHBondContact O-N 2.75Å; C999-L1004 VanDerWaalsContact CA-O 3.29Å; C999-L1004 WeakPolarHBondContact CA-O 3.28Å; I1002-L1004 HydrophobicContact CB-CD1 4.34Å; I1002-L1004 HydrophobicContact CB-CG 4.29Å; I1002-L1004 HydrophobicContact CG2-CD1 3.75Å; I1002-L1004 HydrophobicContact CG2-CD2 4.46Å; I1002-L1004 HydrophobicContact CG2-CG 3.76Å; L1004-E1008 HydrophobicContact CB-CB 4.2Å; L1004-E1008 HydrophobicContact CD2-CB 4.33Å; L1004-A1010 HydrophobicContact CD1-CB 3.9Å; L1004-A1010 HydrophobicContact CD2-CB 4.12Å; L1004-P1020 HydrophobicContact CD2-CB 3.82Å |
| 1005 | K | 86.2 | Confident | 88.1 | Confident | 145 Ų | 145 | 27.6 Ų | 27.6 | 63% | 0.63 | 15% | 0.151 | S | C | * | . | P | Polyproline II helix | trans | -73.8 | 155.8 | 166.7 | -59 | 179.1 | -174.6 | 167.8 | 0 | 110.1 | N888 G1007 E1008 | N888-K1005 PolarHBondContact ND2-O 3.27Å; K1005-G1007 PolarHBondContact O-N 2.83Å; K1005-E1008 HydrophobicContact CB-CG 3.98Å; K1005-E1008 WeakPolarHBondContact CD-OE1 3.25Å; K1005-E1008 PolarHBondContact N-OE2 2.75Å; K1005-E1008 WeakPolarHBondContact O-CB 3.44Å; K1005-E1008 PolarHBondContact O-N 2.79Å |
| 1006 | P | 86.8 | Confident | 88.2 | Confident | 72 Ų | 72 | 28.4 Ų | 28.4 | 47% | 0.468 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 126.3 | 174.9 | -27.9 | 35.4 | 0 | 0 | 0 | 112.1 | ||
| 1007 | G | 86.3 | Confident | 88.5 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -11.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116 | Q857 N888 K1005 | Q857-G1007 VanDerWaalsContact NE2-C 3.31Å; Q857-G1007 PolarHBondContact NE2-O 2.96Å; N888-G1007 PolarHBondContact ND2-N 3.24Å; N888-G1007 WeakPolarHBondContact O-CA 3.3Å; N888-G1007 PolarHBondContact O-N 2.71Å; K1005-G1007 PolarHBondContact O-N 2.83Å |
| 1008 | E | 90.4 | Very high | 88.7 | Confident | 52 Ų | 52 | 27.5 Ų | 27.5 | 24% | 0.243 | 15% | 0.146 | C | C | . | . | trans | -68.7 | 143.7 | 175.4 | -72.1 | 179.2 | 170.6 | 0 | 0 | 111.7 | N888 L1004 K1005 P1020 | N888-E1008 PolarHBondContact ND2-N 3.12Å; N888-E1008 PolarHBondContact ND2-O 2.79Å; L1004-E1008 HydrophobicContact CB-CB 4.2Å; L1004-E1008 HydrophobicContact CD2-CB 4.33Å; K1005-E1008 HydrophobicContact CB-CG 3.98Å; K1005-E1008 WeakPolarHBondContact CD-OE1 3.25Å; K1005-E1008 PolarHBondContact N-OE2 2.75Å; K1005-E1008 WeakPolarHBondContact O-CB 3.44Å; K1005-E1008 PolarHBondContact O-N 2.79Å; E1008-P1020 HydrophobicContact CB-CB 4.11Å; E1008-P1020 HydrophobicContact CG-CB 4.28Å; E1008-P1020 WeakPolarHBondContact OE2-CB 3.47Å | ||
| 1009 | R | 92.7 | Very high | 88.6 | Confident | 7 Ų | 7 | 28.4 Ų | 28.4 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | trans | -104.5 | 146 | -176.8 | -57.5 | 178 | -63.9 | 135.1 | 2.1 | 110.6 | M860 D861 L864 P1020 F1021 E1022 P1023 E1025 | M860-R1009 PolarHBondContact O-NH1 2.98Å; D861-R1009 WeakPolarHBondContact OD1-CD 3.43Å; D861-R1009 WeakPolarHBondContact OD1-CG 3.43Å; L864-R1009 HydrophobicContact CD2-CB 4.42Å; R1009-P1020 WeakPolarHBondContact O-CA 3.38Å; R1009-F1021 HydrophobicContact CB-CB 4.47Å; R1009-F1021 HydrophobicContact CB-CD2 3.94Å; R1009-F1021 PolarHBondContact O-N 2.91Å; R1009-E1022 PolarHBondContact NH2-O 2.97Å; R1009-P1023 PolarHBondContact NH2-O 3.15Å; R1009-P1023 VanDerWaalsContact NH2-O 3.12Å; R1009-E1025 PolarHBondContact NH1-O 2.73Å; R1009-E1025 PolarHBondContact NH2-O 2.87Å | ||
| 1010 | A | 94.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 161.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V838 L1004 V1018 | V838-A1010 HydrophobicContact CB-CB 4.41Å; V838-A1010 WeakPolarHBondContact CB-O 3.29Å; V838-A1010 HydrophobicContact CG2-CB 4.21Å; V838-A1010 PolarHBondContact N-O 3.45Å; L1004-A1010 HydrophobicContact CD1-CB 3.9Å; L1004-A1010 HydrophobicContact CD2-CB 4.12Å; A1010-V1018 WeakPolarHBondContact CA-O 3.44Å |
| 1011 | V | 95.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.1 | 167.2 | 174.7 | 0 | 0 | 0 | 0 | 108.5 | I837 L864 V1013 V1018 F1021 F1027 F1032 | I837-V1011 HydrophobicContact CD1-CG1 4.08Å; I837-V1011 HydrophobicContact CD1-CG2 4.05Å; L864-V1011 HydrophobicContact CD1-CG2 3.94Å; V1011-V1013 HydrophobicContact CG1-CG2 3.9Å; V1011-V1018 HydrophobicContact CB-CB 4.47Å; V1011-V1018 PolarHBondContact N-O 2.88Å; V1011-V1018 WeakPolarHBondContact O-CA 3.27Å; V1011-V1018 VanDerWaalsContact O-CB 3.24Å; V1011-V1018 WeakPolarHBondContact O-CB 3.26Å; V1011-V1018 PolarHBondContact O-N 3.08Å; V1011-F1021 HydrophobicContact CB-CZ 4.25Å; V1011-F1021 HydrophobicContact CG2-CE2 3.92Å; V1011-F1021 HydrophobicContact CG2-CZ 3.93Å; V1011-F1027 HydrophobicContact CG2-CD1 4.21Å; V1011-F1027 HydrophobicContact CG2-CE1 4.3Å; V1011-F1027 HydrophobicContact CG2-CG 4.38Å; V1011-F1032 HydrophobicContact CG1-CE1 4.14Å; V1011-F1032 HydrophobicContact CG2-CE1 4.12Å; V1011-F1032 HydrophobicContact CG2-CZ 4.21Å |
| 1012 | I | 95.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.4 | 174.3 | -57.2 | 91.3 | 0 | 0 | 0 | 108.5 | I788 M835 W836 V838 I1002 K1016 I1017 | I788-I1012 HydrophobicContact CD1-CG1 4.35Å; I788-I1012 HydrophobicContact CD1-CG2 3.74Å; I788-I1012 HydrophobicContact CG1-CG2 4.32Å; M835-I1012 CarbonylContact C-O 3.59Å; M835-I1012 WeakPolarHBondContact CA-O 3.42Å; W836-I1012 HydrophobicContact CB-CB 4.14Å; W836-I1012 HydrophobicContact CB-CD1 4.05Å; W836-I1012 PolarHBondContact N-O 2.85Å; W836-I1012 PolarHBondContact O-N 2.92Å; V838-I1012 HydrophobicContact CG2-CD1 3.37Å; I1002-I1012 HydrophobicContact CD1-CD1 3.94Å; I1002-I1012 HydrophobicContact CG2-CD1 4.49Å; I1012-K1016 CarbonylContact C-O 3.46Å; I1012-K1016 VanDerWaalsContact CA-O 3.23Å; I1012-K1016 WeakPolarHBondContact CA-O 3.25Å; I1012-I1017 HydrophobicContact CG1-CG1 4.16Å |
| 1013 | V | 94.5 | Very high | 89.3 | Confident | 11 Ų | 11 | 30.6 Ų | 30.6 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 110.7 | -179 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | M835 V1011 G1015 K1016 V1018 A1035 A1039 | M835-V1013 HydrophobicContact CE-CG1 4.17Å; M835-V1013 HydrophobicContact CG-CG1 4.38Å; M835-V1013 HydrophobicContact CG-CG2 4.33Å; V1011-V1013 HydrophobicContact CG1-CG2 3.9Å; V1013-G1015 PolarHBondContact O-N 2.69Å; V1013-G1015 VanDerWaalsContact O-N 3.08Å; V1013-K1016 PolarHBondContact N-O 2.87Å; V1013-K1016 VanDerWaalsContact O-CB 3.31Å; V1013-K1016 WeakPolarHBondContact O-CB 3.33Å; V1013-K1016 PolarHBondContact O-N 3.32Å; V1013-V1018 HydrophobicContact CG2-CG2 4.46Å; V1013-A1035 HydrophobicContact CG2-CB 3.97Å; V1013-A1039 HydrophobicContact CG1-CB 3.97Å |
| 1014 | N | 93.2 | Very high | 89.3 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | 40 | -174.6 | -77.1 | 3.2 | 0 | 0 | 0 | 113.7 | P832 T834 K1016 W1070 S1074 | P832-N1014 PolarHBondContact O-ND2 3.26Å; T834-N1014 PolarHBondContact N-OD1 3.22Å; T834-N1014 PolarHBondContact O-N 2.73Å; T834-N1014 PolarHBondContact O-OD1 2.99Å; N1014-K1016 PolarHBondContact O-N 3.01Å; N1014-W1070 HydrophobicContact CB-CB 4.26Å; N1014-W1070 WeakPolarHBondContact OD1-CB 3.48Å; N1014-S1074 PolarHBondContact O-N 2.8Å |
| 1015 | G | 90.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -15.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y787 I788 V1013 I1017 | Y787-G1015 CarbonylContact C-O 3.57Å; Y787-G1015 WeakPolarHBondContact CA-O 3.36Å; I788-G1015 PolarHBondContact N-O 3.28Å; V1013-G1015 PolarHBondContact O-N 2.69Å; V1013-G1015 VanDerWaalsContact O-N 3.08Å; G1015-I1017 PolarHBondContact O-N 2.84Å |
| 1016 | K | 91.1 | Very high | 89.3 | Confident | 30 Ų | 30 | 35.1 Ų | 35.1 | 13% | 0.13 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 123.6 | 171.3 | -175 | 178.9 | 174.5 | -177.7 | 0 | 110.1 | L769 Y787 I1012 V1013 N1014 | L769-K1016 PolarHBondContact O-NZ 3.39Å; Y787-K1016 HydrophobicContact CD1-CB 3.97Å; Y787-K1016 HydrophobicContact CD1-CG 4.4Å; Y787-K1016 HydrophobicContact CE1-CB 3.6Å; Y787-K1016 HydrophobicContact CE1-CD 4.38Å; Y787-K1016 HydrophobicContact CE1-CG 3.8Å; I1012-K1016 CarbonylContact C-O 3.46Å; I1012-K1016 VanDerWaalsContact CA-O 3.23Å; I1012-K1016 WeakPolarHBondContact CA-O 3.25Å; V1013-K1016 PolarHBondContact N-O 2.87Å; V1013-K1016 VanDerWaalsContact O-CB 3.31Å; V1013-K1016 WeakPolarHBondContact O-CB 3.33Å; V1013-K1016 PolarHBondContact O-N 3.32Å; N1014-K1016 PolarHBondContact O-N 3.01Å |
| 1017 | I | 91.8 | Very high | 89.6 | Confident | 16 Ų | 16 | 31.8 Ų | 31.8 | 8% | 0.082 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 120.7 | 179.4 | -60.4 | 164.1 | 0 | 0 | 0 | 108.8 | P785 K786 I788 I1002 I1012 G1015 | P785-I1017 HydrophobicContact CB-CD1 4.4Å; P785-I1017 HydrophobicContact CG-CD1 4.09Å; P785-I1017 WeakPolarHBondContact O-CD1 3.4Å; K786-I1017 PolarHBondContact O-N 3.15Å; I788-I1017 HydrophobicContact CG1-CD1 4.11Å; I788-I1017 HydrophobicContact CG1-CG1 4.16Å; I1002-I1017 HydrophobicContact CG2-CD1 3.92Å; I1002-I1017 HydrophobicContact CG2-CG1 4.15Å; I1002-I1017 HydrophobicContact CG2-CG2 4.06Å; I1012-I1017 HydrophobicContact CG1-CG1 4.16Å; G1015-I1017 PolarHBondContact O-N 2.84Å |
| 1018 | V | 91.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 92.2 | 175.8 | -170.6 | 0 | 0 | 0 | 0 | 107.3 | R768 L769 A1010 V1011 V1013 F1021 F1027 | R768-V1018 HydrophobicContact CB-CG1 3.81Å; L769-V1018 HydrophobicContact CD2-CB 4.5Å; L769-V1018 HydrophobicContact CD2-CG1 3.98Å; L769-V1018 HydrophobicContact CD2-CG2 3.75Å; L769-V1018 HydrophobicContact CG-CG1 4.43Å; A1010-V1018 WeakPolarHBondContact CA-O 3.44Å; V1011-V1018 HydrophobicContact CB-CB 4.47Å; V1011-V1018 PolarHBondContact N-O 2.88Å; V1011-V1018 WeakPolarHBondContact O-CA 3.27Å; V1011-V1018 VanDerWaalsContact O-CB 3.24Å; V1011-V1018 WeakPolarHBondContact O-CB 3.26Å; V1011-V1018 PolarHBondContact O-N 3.08Å; V1013-V1018 HydrophobicContact CG2-CG2 4.46Å; V1018-F1021 HydrophobicContact CG1-CE1 4.13Å; V1018-F1021 HydrophobicContact CG1-CZ 4.43Å; V1018-F1021 WeakPolarHBondContact O-CE1 3.31Å; V1018-F1021 VanDerWaalsContact O-CZ 3.26Å; V1018-F1021 WeakPolarHBondContact O-CZ 3.38Å; V1018-F1027 HydrophobicContact CG1-CE2 4.09Å |
| 1019 | G | 86.2 | Confident | 89.8 | Confident | 20 Ų | 20 | 33.3 Ų | 33.3 | 21% | 0.206 | 18% | 0.176 | C | C | . | . | trans | 160 | -166.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1020 | P | 88.7 | Confident | 89.7 | Confident | 44 Ų | 44 | 36.1 Ų | 36.1 | 29% | 0.286 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | cis | -60.3 | 141.2 | -12.8 | 25.6 | -32.8 | 0 | 0 | 0 | 111 | R768 L1004 E1008 R1009 | R768-P1020 PolarHBondContact NH1-O 3.49Å; R768-P1020 PolarHBondContact NH2-O 2.95Å; R768-P1020 VanDerWaalsContact NH2-O 3.15Å; L1004-P1020 HydrophobicContact CD2-CB 3.82Å; E1008-P1020 HydrophobicContact CB-CB 4.11Å; E1008-P1020 HydrophobicContact CG-CB 4.28Å; E1008-P1020 WeakPolarHBondContact OE2-CB 3.47Å; R1009-P1020 WeakPolarHBondContact O-CA 3.38Å |
| 1021 | F | 89.6 | Confident | 89.6 | Confident | 11 Ų | 11 | 36.1 Ų | 36.1 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -75.9 | 144.3 | 174.1 | -61.6 | -42.3 | 0 | 0 | 0 | 110.7 | L864 R1009 V1011 V1018 E1025 F1027 | L864-F1021 HydrophobicContact CD1-CE2 4.32Å; L864-F1021 HydrophobicContact CD2-CE2 4.29Å; R1009-F1021 HydrophobicContact CB-CB 4.47Å; R1009-F1021 HydrophobicContact CB-CD2 3.94Å; R1009-F1021 PolarHBondContact O-N 2.91Å; V1011-F1021 HydrophobicContact CB-CZ 4.25Å; V1011-F1021 HydrophobicContact CG2-CE2 3.92Å; V1011-F1021 HydrophobicContact CG2-CZ 3.93Å; V1018-F1021 HydrophobicContact CG1-CE1 4.13Å; V1018-F1021 HydrophobicContact CG1-CZ 4.43Å; V1018-F1021 WeakPolarHBondContact O-CE1 3.31Å; V1018-F1021 VanDerWaalsContact O-CZ 3.26Å; V1018-F1021 WeakPolarHBondContact O-CZ 3.38Å; F1021-E1025 WeakPolarHBondContact CA-OE2 3.33Å; F1021-E1025 HydrophobicContact CB-CB 4.22Å; F1021-E1025 HydrophobicContact CB-CG 4.4Å; F1021-E1025 HydrophobicContact CD1-CG 4.39Å; F1021-F1027 AromaticContact CE1-CD2 3.93Å; F1021-F1027 HydrophobicContact CE1-CD2 3.93Å; F1021-F1027 HydrophobicContact CE2-CB 4.26Å; F1021-F1027 HydrophobicContact CE2-CD2 4.41Å; F1021-F1027 HydrophobicContact CZ-CB 4.18Å; F1021-F1027 AromaticContact CZ-CD2 3.54Å; F1021-F1027 HydrophobicContact CZ-CD2 3.54Å; F1021-F1027 HydrophobicContact CZ-CE2 4.16Å; F1021-F1027 HydrophobicContact CZ-CG 4.06Å |
| 1022 | E | 83.8 | Confident | 89.5 | Confident | 106 Ų | 106 | 36.1 Ų | 36.1 | 50% | 0.495 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -61 | 156.4 | 170.1 | -64.3 | -81.7 | -177 | 0 | 0 | 110 | R1009 F1024 E1025 | R1009-E1022 PolarHBondContact NH2-O 2.97Å; E1022-F1024 PolarHBondContact O-N 3.15Å; E1022-E1025 HydrophobicContact CB-CB 3.92Å; E1022-E1025 PolarHBondContact N-OE2 3.26Å; E1022-E1025 PolarHBondContact O-N 2.89Å |
| 1023 | P | 80 | Confident | 89.3 | Confident | 81 Ų | 81 | 41.1 Ų | 41.1 | 53% | 0.526 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -37.9 | -173.8 | -29.3 | 35.1 | 0 | 0 | 0 | 114.4 | R1009 | R1009-P1023 PolarHBondContact NH2-O 3.15Å; R1009-P1023 VanDerWaalsContact NH2-O 3.12Å |
| 1024 | F | 82.1 | Confident | 89.1 | Confident | 148 Ų | 148 | 41 Ų | 41 | 65% | 0.649 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 10.5 | -179.1 | -50.5 | -66.8 | 0 | 0 | 0 | 113.9 | L856 E1022 | L856-F1024 HydrophobicContact CD1-CE1 4.46Å; L856-F1024 HydrophobicContact CD2-CD1 3.73Å; L856-F1024 HydrophobicContact CD2-CE1 3.49Å; L856-F1024 VanDerWaalsContact CD2-CE1 3.49Å; L856-F1024 HydrophobicContact CG-CE1 4.39Å; E1022-F1024 PolarHBondContact O-N 3.15Å |
| 1025 | E | 84.9 | Confident | 89 | Confident | 44 Ų | 44 | 40.9 Ų | 40.9 | 21% | 0.206 | 21% | 0.209 | C | C | . | . | trans | -74.7 | 128.9 | 177 | 178.6 | 176.2 | -172.4 | 0 | 0 | 110.5 | R768 R1009 F1021 E1022 | R768-E1025 WeakPolarHBondContact CD-OE1 3.33Å; R768-E1025 IonicContact CZ-OE1 2.93Å; R768-E1025 IonicContact CZ-OE2 3.39Å; R768-E1025 IonicContact NE-OE1 3.99Å; R768-E1025 PolarHBondContact NE-OE1 3.34Å; R768-E1025 IonicContact NE-OE2 3.34Å; R768-E1025 PolarHBondContact NE-OE2 3.08Å; R768-E1025 IonicContact NH2-OE1 3.74Å; R768-E1025 IonicContact NH2-OE2 3.8Å; R768-E1025 PolarHBondContact NH2-OE2 3.24Å; R1009-E1025 PolarHBondContact NH1-O 2.73Å; R1009-E1025 PolarHBondContact NH2-O 2.87Å; F1021-E1025 WeakPolarHBondContact CA-OE2 3.33Å; F1021-E1025 HydrophobicContact CB-CB 4.22Å; F1021-E1025 HydrophobicContact CB-CG 4.4Å; F1021-E1025 HydrophobicContact CD1-CG 4.39Å; E1022-E1025 HydrophobicContact CB-CB 3.92Å; E1022-E1025 PolarHBondContact N-OE2 3.26Å; E1022-E1025 PolarHBondContact O-N 2.89Å | ||
| 1026 | E | 86.7 | Confident | 89.1 | Confident | 84 Ų | 84 | 41.1 Ų | 41.1 | 39% | 0.393 | 21% | 0.21 | S | C | . | . | trans | -103.4 | 140 | 178.9 | -66.7 | -166.5 | 151.9 | 0 | 0 | 111.6 | M860 L1028 | M860-E1026 HydrophobicContact SD-CG 4.18Å; E1026-L1028 HydrophobicContact CB-CD2 4.21Å | ||
| 1027 | F | 91.7 | Very high | 88.9 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | trans | -114 | 111.5 | 171.8 | -160.1 | -87.2 | 0 | 0 | 0 | 108.6 | L769 L864 N867 V1011 V1018 F1021 D1031 F1032 | L769-F1027 HydrophobicContact CD1-CE2 4.14Å; L769-F1027 HydrophobicContact CD1-CZ 3.95Å; L769-F1027 HydrophobicContact CD2-CZ 4.43Å; L769-F1027 HydrophobicContact CG-CE2 4.36Å; L769-F1027 HydrophobicContact CG-CZ 4.47Å; L864-F1027 HydrophobicContact CD1-CB 3.64Å; L864-F1027 HydrophobicContact CD1-CD1 4.43Å; L864-F1027 HydrophobicContact CD1-CG 4.34Å; N867-F1027 PolarHBondContact ND2-O 3.32Å; V1011-F1027 HydrophobicContact CG2-CD1 4.21Å; V1011-F1027 HydrophobicContact CG2-CE1 4.3Å; V1011-F1027 HydrophobicContact CG2-CG 4.38Å; V1018-F1027 HydrophobicContact CG1-CE2 4.09Å; F1021-F1027 AromaticContact CE1-CD2 3.93Å; F1021-F1027 HydrophobicContact CE1-CD2 3.93Å; F1021-F1027 HydrophobicContact CE2-CB 4.26Å; F1021-F1027 HydrophobicContact CE2-CD2 4.41Å; F1021-F1027 HydrophobicContact CZ-CB 4.18Å; F1021-F1027 AromaticContact CZ-CD2 3.54Å; F1021-F1027 HydrophobicContact CZ-CD2 3.54Å; F1021-F1027 HydrophobicContact CZ-CE2 4.16Å; F1021-F1027 HydrophobicContact CZ-CG 4.06Å; F1027-D1031 HydrophobicContact CD1-CB 3.67Å; F1027-D1031 HydrophobicContact CD2-CB 3.96Å; F1027-D1031 HydrophobicContact CE1-CB 3.49Å; F1027-D1031 VanDerWaalsContact CE1-CB 3.49Å; F1027-D1031 HydrophobicContact CE2-CB 3.78Å; F1027-D1031 HydrophobicContact CG-CB 3.93Å; F1027-D1031 HydrophobicContact CZ-CB 3.56Å; F1027-F1032 HydrophobicContact CD1-CD1 4.18Å; F1027-F1032 AromaticContact CD1-CD2 3.81Å; F1027-F1032 HydrophobicContact CD1-CD2 3.81Å; F1027-F1032 AromaticContact CD1-CE1 3.9Å; F1027-F1032 HydrophobicContact CD1-CE1 3.9Å; F1027-F1032 AromaticContact CD1-CE2 3.51Å; F1027-F1032 HydrophobicContact CD1-CE2 3.51Å; F1027-F1032 HydrophobicContact CD1-CG 4.12Å; F1027-F1032 AromaticContact CD1-CZ 3.55Å; F1027-F1032 HydrophobicContact CD1-CZ 3.55Å; F1027-F1032 HydrophobicContact CE1-CB 4.47Å; F1027-F1032 AromaticContact CE1-CD1 3.67Å; F1027-F1032 HydrophobicContact CE1-CD1 3.67Å; F1027-F1032 AromaticContact CE1-CD2 3.96Å; F1027-F1032 HydrophobicContact CE1-CD2 3.96Å; F1027-F1032 AromaticContact CE1-CE1 3.7Å; F1027-F1032 HydrophobicContact CE1-CE1 3.7Å; F1027-F1032 HydrophobicContact CE1-CE2 4.01Å; F1027-F1032 AromaticContact CE1-CG 3.78Å; F1027-F1032 HydrophobicContact CE1-CG 3.78Å; F1027-F1032 AromaticContact CE1-CZ 3.88Å; F1027-F1032 HydrophobicContact CE1-CZ 3.88Å | ||
| 1028 | L | 91.9 | Very high | 88.6 | Confident | 45 Ų | 45 | 43.8 Ų | 43.8 | 24% | 0.236 | 22% | 0.22 | C | C | . | . | trans | -95.5 | 171.9 | -167.9 | -59.3 | -179.2 | 0 | 0 | 0 | 112.2 | E1026 D1030 D1031 F1032 | E1026-L1028 HydrophobicContact CB-CD2 4.21Å; L1028-D1030 PolarHBondContact O-N 3.14Å; L1028-D1031 PolarHBondContact N-OD2 3.16Å; L1028-D1031 WeakPolarHBondContact O-CB 3.42Å; L1028-D1031 PolarHBondContact O-N 2.93Å; L1028-F1032 VanDerWaalsContact O-CD2 3.3Å; L1028-F1032 WeakPolarHBondContact O-CD2 3.41Å; L1028-F1032 PolarHBondContact O-N 2.8Å | ||
| 1029 | S | 90.7 | Very high | 88.5 | Confident | 41 Ų | 41 | 44 Ų | 44 | 29% | 0.287 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.6 | -31.2 | 177.5 | -175.7 | 0 | 0 | 0 | 0 | 113.2 | F1032 R1033 | S1029-F1032 PolarHBondContact O-N 2.86Å; S1029-R1033 PolarHBondContact O-N 2.97Å; S1029-R1033 VanDerWaalsContact O-N 3.09Å |
| 1030 | D | 89.4 | Confident | 88.5 | Confident | 66 Ų | 66 | 45 Ų | 45 | 35% | 0.353 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72 | -31.5 | 176.5 | -69.4 | -45.2 | 0 | 0 | 0 | 112.2 | P763 R764 L1028 R1033 L1034 | P763-D1030 HydrophobicContact CG-CB 4.12Å; R764-D1030 HydrophobicContact CB-CB 4.18Å; L1028-D1030 PolarHBondContact O-N 3.14Å; D1030-R1033 WeakPolarHBondContact O-CB 3.34Å; D1030-R1033 PolarHBondContact O-N 2.93Å; D1030-L1034 PolarHBondContact O-N 2.98Å |
| 1031 | D | 92.4 | Very high | 88 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.9 | -39.9 | 174.4 | -59.9 | -54.3 | 0 | 0 | 0 | 110.6 | R764 N766 L769 F1027 L1028 R1033 L1034 A1035 | R764-D1031 IonicContact CZ-OD2 3.88Å; R764-D1031 IonicContact NE-OD1 2.74Å; R764-D1031 PolarHBondContact NE-OD1 3.34Å; R764-D1031 IonicContact NE-OD2 3.51Å; R764-D1031 PolarHBondContact NE-OD2 2.81Å; N766-D1031 WeakPolarHBondContact CB-OD1 3.5Å; N766-D1031 PolarHBondContact ND2-OD1 3.07Å; L769-D1031 HydrophobicContact CD1-CB 4.38Å; L769-D1031 WeakPolarHBondContact CD1-O 3.4Å; F1027-D1031 HydrophobicContact CD1-CB 3.67Å; F1027-D1031 HydrophobicContact CD2-CB 3.96Å; F1027-D1031 HydrophobicContact CE1-CB 3.49Å; F1027-D1031 VanDerWaalsContact CE1-CB 3.49Å; F1027-D1031 HydrophobicContact CE2-CB 3.78Å; F1027-D1031 HydrophobicContact CG-CB 3.93Å; F1027-D1031 HydrophobicContact CZ-CB 3.56Å; L1028-D1031 PolarHBondContact N-OD2 3.16Å; L1028-D1031 WeakPolarHBondContact O-CB 3.42Å; L1028-D1031 PolarHBondContact O-N 2.93Å; D1031-R1033 VanDerWaalsContact C-N 3.34Å; D1031-R1033 PolarHBondContact O-N 3.35Å; D1031-L1034 PolarHBondContact O-N 3.49Å; D1031-A1035 VanDerWaalsContact O-CB 3.31Å; D1031-A1035 WeakPolarHBondContact O-CB 3.39Å; D1031-A1035 PolarHBondContact O-N 2.91Å |
| 1032 | F | 94.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 172.1 | -74.7 | -69.4 | 0 | 0 | 0 | 112.6 | M835 I837 L864 N867 A868 F871 V1011 F1027 L1028 S1029 A1035 E1036 | M835-F1032 HydrophobicContact SD-CD1 3.9Å; M835-F1032 HydrophobicContact SD-CE1 4.5Å; I837-F1032 HydrophobicContact CD1-CE1 3.51Å; I837-F1032 HydrophobicContact CD1-CZ 3.89Å; L864-F1032 HydrophobicContact CD1-CE2 4.44Å; L864-F1032 HydrophobicContact CD1-CZ 3.98Å; N867-F1032 HydrophobicContact CB-CD2 4.31Å; N867-F1032 HydrophobicContact CB-CE2 3.84Å; A868-F1032 HydrophobicContact CB-CE1 3.94Å; A868-F1032 HydrophobicContact CB-CE2 3.9Å; A868-F1032 HydrophobicContact CB-CZ 3.54Å; F871-F1032 HydrophobicContact CB-CB 4.04Å; F871-F1032 HydrophobicContact CB-CG 4.49Å; F871-F1032 HydrophobicContact CD1-CB 3.46Å; F871-F1032 VanDerWaalsContact CD1-CB 3.46Å; F871-F1032 HydrophobicContact CD1-CG 4.31Å; F871-F1032 HydrophobicContact CD2-CB 4.3Å; F871-F1032 HydrophobicContact CE1-CB 3.92Å; F871-F1032 HydrophobicContact CG-CB 3.65Å; V1011-F1032 HydrophobicContact CG1-CE1 4.14Å; V1011-F1032 HydrophobicContact CG2-CE1 4.12Å; V1011-F1032 HydrophobicContact CG2-CZ 4.21Å; F1027-F1032 HydrophobicContact CD1-CD1 4.18Å; F1027-F1032 AromaticContact CD1-CD2 3.81Å; F1027-F1032 HydrophobicContact CD1-CD2 3.81Å; F1027-F1032 AromaticContact CD1-CE1 3.9Å; F1027-F1032 HydrophobicContact CD1-CE1 3.9Å; F1027-F1032 AromaticContact CD1-CE2 3.51Å; F1027-F1032 HydrophobicContact CD1-CE2 3.51Å; F1027-F1032 HydrophobicContact CD1-CG 4.12Å; F1027-F1032 AromaticContact CD1-CZ 3.55Å; F1027-F1032 HydrophobicContact CD1-CZ 3.55Å; F1027-F1032 HydrophobicContact CE1-CB 4.47Å; F1027-F1032 AromaticContact CE1-CD1 3.67Å; F1027-F1032 HydrophobicContact CE1-CD1 3.67Å; F1027-F1032 AromaticContact CE1-CD2 3.96Å; F1027-F1032 HydrophobicContact CE1-CD2 3.96Å; F1027-F1032 AromaticContact CE1-CE1 3.7Å; F1027-F1032 HydrophobicContact CE1-CE1 3.7Å; F1027-F1032 HydrophobicContact CE1-CE2 4.01Å; F1027-F1032 AromaticContact CE1-CG 3.78Å; F1027-F1032 HydrophobicContact CE1-CG 3.78Å; F1027-F1032 AromaticContact CE1-CZ 3.88Å; F1027-F1032 HydrophobicContact CE1-CZ 3.88Å; L1028-F1032 VanDerWaalsContact O-CD2 3.3Å; L1028-F1032 WeakPolarHBondContact O-CD2 3.41Å; L1028-F1032 PolarHBondContact O-N 2.8Å; S1029-F1032 PolarHBondContact O-N 2.86Å; F1032-A1035 PolarHBondContact O-N 2.68Å; F1032-E1036 PolarHBondContact O-N 3.47Å |
| 1033 | R | 91.6 | Very high | 87.3 | Confident | 106 Ų | 106 | 40.5 Ų | 40.5 | 40% | 0.4 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62 | -44.3 | 174.5 | -173.7 | -178.9 | 176.6 | -173.5 | -3.3 | 111.4 | F871 S1029 D1030 D1031 R1037 | F871-R1033 HydrophobicContact CD2-CB 4.35Å; F871-R1033 HydrophobicContact CE2-CB 3.6Å; F871-R1033 HydrophobicContact CE2-CG 4.11Å; F871-R1033 VanDerWaalsContact CZ-CA 3.49Å; F871-R1033 HydrophobicContact CZ-CB 4.06Å; S1029-R1033 PolarHBondContact O-N 2.97Å; S1029-R1033 VanDerWaalsContact O-N 3.09Å; D1030-R1033 WeakPolarHBondContact O-CB 3.34Å; D1030-R1033 PolarHBondContact O-N 2.93Å; D1031-R1033 VanDerWaalsContact C-N 3.34Å; D1031-R1033 PolarHBondContact O-N 3.35Å; R1033-R1037 VanDerWaalsContact O-CB 3.3Å; R1033-R1037 WeakPolarHBondContact O-CB 3.38Å; R1033-R1037 PolarHBondContact O-N 3.03Å; R1033-R1037 VanDerWaalsContact O-N 3.07Å |
| 1034 | L | 89.5 | Confident | 87.7 | Confident | 8 Ų | 8 | 36.7 Ų | 36.7 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.1 | -42.7 | 176.1 | -178.4 | 58.7 | 0 | 0 | 0 | 111.5 | F498 V762 N766 L769 L770 D1030 D1031 R1037 L1038 | F498-L1034 HydrophobicContact CE1-CD1 4.4Å; V762-L1034 HydrophobicContact CG1-CD1 3.88Å; N766-L1034 HydrophobicContact CB-CD2 4.43Å; L769-L1034 HydrophobicContact CB-CD2 4.28Å; L769-L1034 HydrophobicContact CD1-CB 4.15Å; L769-L1034 HydrophobicContact CD1-CD2 4.01Å; L769-L1034 HydrophobicContact CD1-CG 4.1Å; L770-L1034 HydrophobicContact CD1-CD2 3.92Å; L770-L1034 HydrophobicContact CD2-CD1 4.23Å; L770-L1034 HydrophobicContact CD2-CD2 4.05Å; L770-L1034 HydrophobicContact CD2-CG 4.49Å; L770-L1034 HydrophobicContact CG-CD2 3.89Å; D1030-L1034 PolarHBondContact O-N 2.98Å; D1031-L1034 PolarHBondContact O-N 3.49Å; L1034-R1037 PolarHBondContact O-N 2.85Å; L1034-L1038 HydrophobicContact CD1-CD1 4.21Å; L1034-L1038 HydrophobicContact CD1-CG 4.16Å; L1034-L1038 HydrophobicContact CG-CD1 4Å; L1034-L1038 HydrophobicContact CG-CG 4.4Å; L1034-L1038 WeakPolarHBondContact O-CB 3.42Å; L1034-L1038 VanDerWaalsContact O-CG 3.28Å; L1034-L1038 WeakPolarHBondContact O-CG 3.31Å; L1034-L1038 PolarHBondContact O-N 3.1Å |
| 1035 | A | 92.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.7 | -46.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | L769 M835 V1013 D1031 F1032 R1037 L1038 A1039 | L769-A1035 HydrophobicContact CD1-CB 4.18Å; L769-A1035 HydrophobicContact CD2-CB 4.1Å; M835-A1035 HydrophobicContact CE-CB 3.84Å; V1013-A1035 HydrophobicContact CG2-CB 3.97Å; D1031-A1035 VanDerWaalsContact O-CB 3.31Å; D1031-A1035 WeakPolarHBondContact O-CB 3.39Å; D1031-A1035 PolarHBondContact O-N 2.91Å; F1032-A1035 PolarHBondContact O-N 2.68Å; A1035-R1037 VanDerWaalsContact C-N 3.32Å; A1035-R1037 PolarHBondContact O-N 2.95Å; A1035-L1038 PolarHBondContact O-N 2.87Å; A1035-A1039 PolarHBondContact O-N 3.15Å; A1035-A1039 VanDerWaalsContact O-N 3.08Å |
| 1036 | E | 92.1 | Very high | 88 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 2% | 0.023 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.4 | -44.5 | 175.6 | -177.7 | -177.1 | -152 | 0 | 0 | 110.5 | V833 M835 F871 S877 T878 L881 F1032 A1039 L1040 | V833-E1036 HydrophobicContact CG1-CG 4.39Å; V833-E1036 HydrophobicContact CG2-CG 4.46Å; M835-E1036 HydrophobicContact CE-CB 3.79Å; F871-E1036 HydrophobicContact CE1-CB 4.29Å; F871-E1036 HydrophobicContact CZ-CB 4.29Å; F871-E1036 VanDerWaalsContact CZ-OE2 3.22Å; F871-E1036 WeakPolarHBondContact CZ-OE2 3.27Å; S877-E1036 WeakPolarHBondContact CA-OE2 3.21Å; T878-E1036 WeakPolarHBondContact CA-OE1 3.07Å; T878-E1036 VanDerWaalsContact CB-OE1 3.22Å; T878-E1036 WeakPolarHBondContact CB-OE1 3.25Å; T878-E1036 WeakPolarHBondContact CG2-OE1 3.36Å; T878-E1036 PolarHBondContact N-OE1 3.2Å; T878-E1036 PolarHBondContact N-OE2 3.03Å; T878-E1036 PolarHBondContact OG1-OE1 3.47Å; L881-E1036 WeakPolarHBondContact CB-OE1 3.28Å; F1032-E1036 PolarHBondContact O-N 3.47Å; E1036-A1039 PolarHBondContact O-N 3.39Å; E1036-L1040 HydrophobicContact CG-CD1 4.14Å; E1036-L1040 WeakPolarHBondContact O-CG 3.47Å; E1036-L1040 PolarHBondContact O-N 3.01Å |
| 1037 | R | 86.9 | Confident | 88.2 | Confident | 77 Ų | 77 | 34.1 Ų | 34.1 | 29% | 0.291 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.7 | -49.2 | 178.6 | -179.6 | 177.9 | -179.5 | 168.8 | 6 | 112.1 | A759 R1033 L1034 A1035 A1039 L1040 D1041 | A759-R1037 PolarHBondContact O-NH1 3.06Å; A759-R1037 PolarHBondContact O-NH2 3.34Å; R1033-R1037 VanDerWaalsContact O-CB 3.3Å; R1033-R1037 WeakPolarHBondContact O-CB 3.38Å; R1033-R1037 PolarHBondContact O-N 3.03Å; R1033-R1037 VanDerWaalsContact O-N 3.07Å; L1034-R1037 PolarHBondContact O-N 2.85Å; A1035-R1037 VanDerWaalsContact C-N 3.32Å; A1035-R1037 PolarHBondContact O-N 2.95Å; R1037-A1039 VanDerWaalsContact C-N 3.27Å; R1037-A1039 PolarHBondContact O-N 2.66Å; R1037-L1040 PolarHBondContact O-N 3.38Å; R1037-L1040 VanDerWaalsContact O-N 3.13Å; R1037-D1041 WeakPolarHBondContact CG-OD2 3.27Å; R1037-D1041 IonicContact NE-OD2 3.43Å; R1037-D1041 PolarHBondContact NE-OD2 2.86Å; R1037-D1041 WeakPolarHBondContact O-CB 3.38Å; R1037-D1041 VanDerWaalsContact O-CG 3.3Å; R1037-D1041 PolarHBondContact O-N 2.83Å |
| 1038 | L | 85.4 | Confident | 88 | Confident | 25 Ų | 25 | 34 Ų | 34 | 13% | 0.131 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.2 | -38.3 | 178.3 | -72.5 | 170.8 | 0 | 0 | 0 | 111.9 | F498 L769 L770 L1034 A1035 L1040 N1042 | F498-L1038 HydrophobicContact CE2-CD2 3.81Å; F498-L1038 HydrophobicContact CZ-CD2 3.59Å; L769-L1038 HydrophobicContact CB-CD1 3.99Å; L770-L1038 HydrophobicContact CD2-CD1 4.14Å; L770-L1038 HydrophobicContact CD2-CD2 4.39Å; L1034-L1038 HydrophobicContact CD1-CD1 4.21Å; L1034-L1038 HydrophobicContact CD1-CG 4.16Å; L1034-L1038 HydrophobicContact CG-CD1 4Å; L1034-L1038 HydrophobicContact CG-CG 4.4Å; L1034-L1038 WeakPolarHBondContact O-CB 3.42Å; L1034-L1038 VanDerWaalsContact O-CG 3.28Å; L1034-L1038 WeakPolarHBondContact O-CG 3.31Å; L1034-L1038 PolarHBondContact O-N 3.1Å; A1035-L1038 PolarHBondContact O-N 2.87Å; L1038-L1040 VanDerWaalsContact C-N 3.35Å; L1038-N1042 VanDerWaalsContact O-CB 3.26Å; L1038-N1042 WeakPolarHBondContact O-CB 3.35Å; L1038-N1042 PolarHBondContact O-N 2.59Å; L1038-N1042 PolarHBondContact O-ND2 3.39Å |
| 1039 | A | 87.9 | Confident | 87.8 | Confident | 9 Ų | 9 | 35 Ų | 35 | 7% | 0.074 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | V833 V1013 A1035 E1036 R1037 A1044 | V833-A1039 HydrophobicContact CG1-CB 4.08Å; V833-A1039 HydrophobicContact CG2-CB 4.12Å; V1013-A1039 HydrophobicContact CG1-CB 3.97Å; A1035-A1039 PolarHBondContact O-N 3.15Å; A1035-A1039 VanDerWaalsContact O-N 3.08Å; E1036-A1039 PolarHBondContact O-N 3.39Å; R1037-A1039 VanDerWaalsContact C-N 3.27Å; R1037-A1039 PolarHBondContact O-N 2.66Å; A1039-A1044 WeakPolarHBondContact O-CB 3.23Å; A1039-A1044 PolarHBondContact O-N 2.92Å |
| 1040 | L | 87.1 | Confident | 87.6 | Confident | 41 Ų | 41 | 35.1 Ų | 35.1 | 22% | 0.215 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.7 | -45.5 | 176.5 | -67.4 | 171.1 | 0 | 0 | 0 | 112.1 | P832 V833 T878 E1036 R1037 L1038 N1042 G1043 K1045 | P832-L1040 HydrophobicContact CG-CD2 4.29Å; V833-L1040 HydrophobicContact CG2-CD2 3.7Å; V833-L1040 HydrophobicContact CG2-CG 3.93Å; T878-L1040 HydrophobicContact CG2-CD1 3.85Å; E1036-L1040 HydrophobicContact CG-CD1 4.14Å; E1036-L1040 WeakPolarHBondContact O-CG 3.47Å; E1036-L1040 PolarHBondContact O-N 3.01Å; R1037-L1040 PolarHBondContact O-N 3.38Å; R1037-L1040 VanDerWaalsContact O-N 3.13Å; L1038-L1040 VanDerWaalsContact C-N 3.35Å; L1040-N1042 PolarHBondContact O-N 3.11Å; L1040-G1043 PolarHBondContact O-N 3.24Å; L1040-K1045 HydrophobicContact CD2-CB 4.22Å |
| 1041 | D | 78.2 | Confident | 87.4 | Confident | 45 Ų | 45 | 32 Ų | 32 | 24% | 0.241 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63 | -26.7 | 177.8 | -68.5 | -11.5 | 0 | 0 | 0 | 111.4 | R1037 G1043 | R1037-D1041 WeakPolarHBondContact CG-OD2 3.27Å; R1037-D1041 IonicContact NE-OD2 3.43Å; R1037-D1041 PolarHBondContact NE-OD2 2.86Å; R1037-D1041 WeakPolarHBondContact O-CB 3.38Å; R1037-D1041 VanDerWaalsContact O-CG 3.3Å; R1037-D1041 PolarHBondContact O-N 2.83Å; D1041-G1043 PolarHBondContact O-N 3.26Å |
| 1042 | N | 78.4 | Confident | 87.2 | Confident | 19 Ų | 19 | 36.8 Ų | 36.8 | 10% | 0.102 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 8 | 172.2 | -74.4 | -14.8 | 0 | 0 | 0 | 114.2 | Y472 L1038 L1040 Q1077 | Y472-N1042 WeakPolarHBondContact CE2-O 3.47Å; Y472-N1042 VanDerWaalsContact CZ-O 3.27Å; Y472-N1042 PolarHBondContact OH-O 2.94Å; L1038-N1042 VanDerWaalsContact O-CB 3.26Å; L1038-N1042 WeakPolarHBondContact O-CB 3.35Å; L1038-N1042 PolarHBondContact O-N 2.59Å; L1038-N1042 PolarHBondContact O-ND2 3.39Å; L1040-N1042 PolarHBondContact O-N 3.11Å; N1042-Q1077 PolarHBondContact ND2-NE2 3.37Å |
| 1043 | G | 80.9 | Confident | 86.8 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | 14.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1040 D1041 K1045 E1046 L1047 | L1040-G1043 PolarHBondContact O-N 3.24Å; D1041-G1043 PolarHBondContact O-N 3.26Å; G1043-K1045 PolarHBondContact O-N 2.84Å; G1043-E1046 WeakPolarHBondContact CA-OE2 3.39Å; G1043-E1046 PolarHBondContact O-N 2.86Å; G1043-L1047 WeakPolarHBondContact O-CB 3.48Å; G1043-L1047 PolarHBondContact O-N 3.3Å |
| 1044 | A | 87.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.9 | -32.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P832 A1039 G1048 T1069 | P832-A1044 HydrophobicContact CB-CB 4.24Å; P832-A1044 VanDerWaalsContact CB-O 3.25Å; P832-A1044 WeakPolarHBondContact CB-O 3.29Å; A1039-A1044 WeakPolarHBondContact O-CB 3.23Å; A1039-A1044 PolarHBondContact O-N 2.92Å; A1044-G1048 PolarHBondContact O-N 3.14Å; A1044-G1048 VanDerWaalsContact O-N 3.16Å; A1044-T1069 WeakPolarHBondContact O-CG2 3.46Å |
| 1045 | K | 87.1 | Confident | 85.9 | Confident | 113 Ų | 113 | 42.8 Ų | 42.8 | 49% | 0.491 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -72.8 | -48.9 | 178.5 | -175.1 | -173.8 | 172.9 | -167 | 0 | 111.1 | P832 L1040 G1043 L1047 G1048 D1049 | P832-K1045 HydrophobicContact CB-CB 4.48Å; P832-K1045 HydrophobicContact CG-CB 4.3Å; L1040-K1045 HydrophobicContact CD2-CB 4.22Å; G1043-K1045 PolarHBondContact O-N 2.84Å; K1045-L1047 PolarHBondContact O-N 2.94Å; K1045-G1048 PolarHBondContact O-N 2.79Å; K1045-G1048 VanDerWaalsContact O-N 3.11Å; K1045-D1049 PolarHBondContact O-N 2.92Å |
| 1046 | E | 87.2 | Confident | 84.9 | Confident | 103 Ų | 103 | 44.1 Ų | 44.1 | 48% | 0.481 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.6 | -38.8 | 176.8 | -67 | 75.4 | -169.4 | 0 | 0 | 110.9 | G1043 K1050 | G1043-E1046 WeakPolarHBondContact CA-OE2 3.39Å; G1043-E1046 PolarHBondContact O-N 2.86Å; E1046-K1050 VanDerWaalsContact O-CB 3.32Å; E1046-K1050 WeakPolarHBondContact O-CB 3.49Å; E1046-K1050 PolarHBondContact O-N 3.34Å |
| 1047 | L | 88.9 | Confident | 83.3 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -49.4 | 174.3 | -178 | 63.3 | 0 | 0 | 0 | 111.6 | L468 Y472 G1043 K1045 D1049 K1050 L1051 T1069 L1072 S1073 L1076 | L468-L1047 HydrophobicContact CD1-CD1 3.76Å; L468-L1047 HydrophobicContact CD2-CD1 4.31Å; L468-L1047 HydrophobicContact CG-CD1 4.17Å; Y472-L1047 HydrophobicContact CD2-CB 4.2Å; Y472-L1047 HydrophobicContact CD2-CD1 4.34Å; Y472-L1047 HydrophobicContact CD2-CD2 4.16Å; Y472-L1047 HydrophobicContact CD2-CG 4.47Å; Y472-L1047 HydrophobicContact CE2-CB 4.32Å; Y472-L1047 HydrophobicContact CE2-CD2 3.94Å; G1043-L1047 WeakPolarHBondContact O-CB 3.48Å; G1043-L1047 PolarHBondContact O-N 3.3Å; K1045-L1047 PolarHBondContact O-N 2.94Å; L1047-D1049 PolarHBondContact O-N 2.77Å; L1047-K1050 PolarHBondContact O-N 3.47Å; L1047-L1051 HydrophobicContact CD1-CD1 4.27Å; L1047-L1051 HydrophobicContact CD1-CG 4.37Å; L1047-L1051 HydrophobicContact CG-CD1 4.01Å; L1047-L1051 VanDerWaalsContact O-CG 3.28Å; L1047-L1051 WeakPolarHBondContact O-CG 3.34Å; L1047-L1051 PolarHBondContact O-N 3.48Å; L1047-T1069 HydrophobicContact CB-CG2 4.43Å; L1047-T1069 HydrophobicContact CD2-CG2 4.16Å; L1047-T1069 WeakPolarHBondContact CD2-O 3.18Å; L1047-T1069 HydrophobicContact CG-CG2 4.3Å; L1047-L1072 HydrophobicContact CD2-CB 4.18Å; L1047-S1073 WeakPolarHBondContact CD2-OG 3.43Å; L1047-L1076 HydrophobicContact CD1-CD1 4.05Å; L1047-L1076 HydrophobicContact CD2-CD1 4.2Å |
| 1048 | G | 88.6 | Confident | 81.7 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.4 | -47.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1044 K1045 K1050 L1051 E1052 T1069 | A1044-G1048 PolarHBondContact O-N 3.14Å; A1044-G1048 VanDerWaalsContact O-N 3.16Å; K1045-G1048 PolarHBondContact O-N 2.79Å; K1045-G1048 VanDerWaalsContact O-N 3.11Å; G1048-K1050 PolarHBondContact O-N 2.81Å; G1048-L1051 PolarHBondContact O-N 3.22Å; G1048-E1052 PolarHBondContact O-N 2.75Å; G1048-E1052 VanDerWaalsContact O-N 3.09Å; G1048-T1069 WeakPolarHBondContact CA-OG1 3.45Å |
| 1049 | D | 87.1 | Confident | 80.1 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 35% | 0.353 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63 | -31.4 | 178.2 | -66.5 | -12 | 0 | 0 | 0 | 111.9 | K1045 L1047 K1053 | K1045-D1049 PolarHBondContact O-N 2.92Å; L1047-D1049 PolarHBondContact O-N 2.77Å; D1049-K1053 WeakPolarHBondContact O-CG 3.28Å; D1049-K1053 PolarHBondContact O-N 2.9Å |
| 1050 | K | 86.1 | Confident | 78.6 | Confident | 44 Ų | 44 | 56 Ų | 56 | 19% | 0.191 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -77.5 | -39.4 | 177.3 | -173 | 61.4 | 177.3 | -112.1 | 0 | 112.1 | L468 E471 E1046 L1047 G1048 E1052 K1053 I1054 | L468-K1050 HydrophobicContact CD1-CG 4.23Å; E471-K1050 VanDerWaalsContact CD-NZ 3.3Å; E471-K1050 IonicContact OE1-NZ 3.88Å; E471-K1050 PolarHBondContact OE1-NZ 3.36Å; E471-K1050 IonicContact OE2-NZ 3.63Å; E471-K1050 PolarHBondContact OE2-NZ 2.86Å; E1046-K1050 VanDerWaalsContact O-CB 3.32Å; E1046-K1050 WeakPolarHBondContact O-CB 3.49Å; E1046-K1050 PolarHBondContact O-N 3.34Å; L1047-K1050 PolarHBondContact O-N 3.47Å; G1048-K1050 PolarHBondContact O-N 2.81Å; K1050-E1052 VanDerWaalsContact C-N 3.29Å; K1050-E1052 PolarHBondContact O-N 3.49Å; K1050-K1053 WeakPolarHBondContact O-CB 3.48Å; K1050-K1053 PolarHBondContact O-N 3.33Å; K1050-K1053 VanDerWaalsContact O-N 3.1Å; K1050-I1054 HydrophobicContact CD-CD1 4.42Å; K1050-I1054 HydrophobicContact CG-CD1 3.88Å; K1050-I1054 HydrophobicContact CG-CG1 4.39Å; K1050-I1054 WeakPolarHBondContact O-CG1 3.3Å; K1050-I1054 PolarHBondContact O-N 2.97Å |
| 1051 | L | 87.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 176.5 | -71.6 | 167.6 | 0 | 0 | 0 | 111.5 | I460 L1047 G1048 K1053 I1054 L1055 I1065 L1068 L1072 | I460-L1051 HydrophobicContact CD1-CD2 3.6Å; L1047-L1051 HydrophobicContact CD1-CD1 4.27Å; L1047-L1051 HydrophobicContact CD1-CG 4.37Å; L1047-L1051 HydrophobicContact CG-CD1 4.01Å; L1047-L1051 VanDerWaalsContact O-CG 3.28Å; L1047-L1051 WeakPolarHBondContact O-CG 3.34Å; L1047-L1051 PolarHBondContact O-N 3.48Å; G1048-L1051 PolarHBondContact O-N 3.22Å; L1051-K1053 VanDerWaalsContact C-N 3.26Å; L1051-K1053 PolarHBondContact O-N 2.92Å; L1051-I1054 PolarHBondContact O-N 3.42Å; L1051-L1055 WeakPolarHBondContact O-CB 3.46Å; L1051-L1055 PolarHBondContact O-N 3.47Å; L1051-I1065 HydrophobicContact CB-CG2 4.07Å; L1051-L1068 HydrophobicContact CD1-CB 4.4Å; L1051-L1072 HydrophobicContact CD1-CD1 3.61Å; L1051-L1072 HydrophobicContact CD2-CD1 3.5Å; L1051-L1072 HydrophobicContact CG-CD1 4.18Å |
| 1052 | E | 86.5 | Confident | 77.9 | Confident | 101 Ų | 101 | 55.5 Ų | 55.5 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.2 | -42.1 | 172.1 | -169.5 | 177.8 | -152.8 | 0 | 0 | 111.7 | I830 G1048 K1050 G1056 I1065 | I830-E1052 HydrophobicContact CD1-CB 3.85Å; I830-E1052 HydrophobicContact CD1-CG 4.07Å; G1048-E1052 PolarHBondContact O-N 2.75Å; G1048-E1052 VanDerWaalsContact O-N 3.09Å; K1050-E1052 VanDerWaalsContact C-N 3.29Å; K1050-E1052 PolarHBondContact O-N 3.49Å; E1052-G1056 PolarHBondContact O-N 2.94Å; E1052-G1056 VanDerWaalsContact O-N 3.09Å; E1052-I1065 HydrophobicContact CB-CD1 3.91Å; E1052-I1065 HydrophobicContact CG-CD1 3.94Å |
| 1053 | K | 86.2 | Confident | 77.9 | Confident | 165 Ų | 165 | 55.4 Ų | 55.4 | 72% | 0.717 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -70.4 | -37.5 | 177.4 | -67.9 | 171 | -173.5 | 171.1 | 0 | 113.4 | D1049 K1050 L1051 | D1049-K1053 WeakPolarHBondContact O-CG 3.28Å; D1049-K1053 PolarHBondContact O-N 2.9Å; K1050-K1053 WeakPolarHBondContact O-CB 3.48Å; K1050-K1053 PolarHBondContact O-N 3.33Å; K1050-K1053 VanDerWaalsContact O-N 3.1Å; L1051-K1053 VanDerWaalsContact C-N 3.26Å; L1051-K1053 PolarHBondContact O-N 2.92Å |
| 1054 | I | 83 | Confident | 78 | Confident | 36 Ų | 36 | 57.3 Ų | 57.3 | 19% | 0.185 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -73.9 | -45.1 | -177.4 | -68.3 | 169.4 | 0 | 0 | 0 | 111 | P461 N464 L468 K1050 L1051 | P461-I1054 HydrophobicContact CG-CG2 4.34Å; N464-I1054 HydrophobicContact CB-CD1 4.2Å; N464-I1054 HydrophobicContact CB-CG2 4.45Å; L468-I1054 HydrophobicContact CD1-CD1 4.13Å; K1050-I1054 HydrophobicContact CD-CD1 4.42Å; K1050-I1054 HydrophobicContact CG-CD1 3.88Å; K1050-I1054 HydrophobicContact CG-CG1 4.39Å; K1050-I1054 WeakPolarHBondContact O-CG1 3.3Å; K1050-I1054 PolarHBondContact O-N 2.97Å; L1051-I1054 PolarHBondContact O-N 3.42Å |
| 1055 | L | 79.8 | Confident | 77.9 | Confident | 39 Ų | 39 | 57.8 Ų | 57.8 | 20% | 0.204 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -84.7 | -20.2 | -174.4 | -63.8 | 169.4 | 0 | 0 | 0 | 112.7 | L1051 A1059 L1068 | L1051-L1055 WeakPolarHBondContact O-CB 3.46Å; L1051-L1055 PolarHBondContact O-N 3.47Å; L1055-A1059 HydrophobicContact CB-CB 4.28Å; L1055-A1059 WeakPolarHBondContact O-CB 3.15Å; L1055-L1068 HydrophobicContact CD1-CD1 3.61Å |
| 1056 | G | 71 | Confident | 78 | Confident | 30 Ų | 30 | 52.4 Ų | 52.4 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | trans | 68.9 | -177.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1052 T1058 | E1052-G1056 PolarHBondContact O-N 2.94Å; E1052-G1056 VanDerWaalsContact O-N 3.09Å; G1056-T1058 VanDerWaalsContact C-N 3.28Å; G1056-T1058 PolarHBondContact O-N 3.46Å | ||
| 1057 | T | 59 | Low | 78 | Confident | 147 Ų | 147 | 47.9 Ų | 47.9 | 90% | 0.902 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -15 | -178.5 | 52 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1058 | T | 52.5 | Low | 77.9 | Confident | 138 Ų | 138 | 48.7 Ų | 48.7 | 85% | 0.847 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -15.7 | -175.1 | 41.5 | 0 | 0 | 0 | 0 | 114.1 | G1056 | G1056-T1058 VanDerWaalsContact C-N 3.28Å; G1056-T1058 PolarHBondContact O-N 3.46Å |
| 1059 | A | 52.5 | Low | 78 | Confident | 56 Ų | 56 | 48.6 Ų | 48.6 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -116.5 | -1.2 | -166.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | L1055 | L1055-A1059 HydrophobicContact CB-CB 4.28Å; L1055-A1059 WeakPolarHBondContact O-CB 3.15Å |
| 1060 | G | 55.6 | Low | 78.2 | Confident | 24 Ų | 24 | 45.5 Ų | 45.5 | 25% | 0.247 | 27% | 0.268 | C | S | . | . | trans | 174.2 | 135.3 | 169 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1061 | A | 70.1 | Confident | 78.4 | Confident | 46 Ų | 46 | 43.9 Ų | 43.9 | 38% | 0.38 | 26% | 0.261 | S | S | . | . | trans | -49.6 | 153.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | D1063 I1064 I1065 | A1061-D1063 PolarHBondContact O-N 3.1Å; A1061-I1064 WeakPolarHBondContact O-CB 3.24Å; A1061-I1064 PolarHBondContact O-N 3.49Å; A1061-I1065 PolarHBondContact O-N 2.82Å | ||
| 1062 | P | 80.4 | Confident | 78.6 | Confident | 29 Ų | 29 | 43.9 Ų | 43.9 | 19% | 0.188 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -51.1 | -26.4 | 179.4 | -28.8 | 36.5 | 0 | 0 | 0 | 114.6 | E827 A828 I830 I1065 S1066 | E827-P1062 WeakPolarHBondContact O-CG 3.24Å; A828-P1062 VanDerWaalsContact C-CG 3.42Å; I830-P1062 HydrophobicContact CG1-CB 4.2Å; P1062-I1065 PolarHBondContact O-N 3.2Å; P1062-S1066 WeakPolarHBondContact O-CB 3.17Å; P1062-S1066 PolarHBondContact O-N 2.65Å; P1062-S1066 PolarHBondContact O-OG 2.9Å |
| 1063 | D | 79.4 | Confident | 78.7 | Confident | 17 Ų | 17 | 39.1 Ų | 39.1 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 172.7 | -68.3 | -21 | 0 | 0 | 0 | 112.6 | I915 A1061 S1066 E1067 | I915-D1063 HydrophobicContact CG2-CB 4.27Å; A1061-D1063 PolarHBondContact O-N 3.1Å; D1063-S1066 WeakPolarHBondContact O-CB 3.48Å; D1063-S1066 PolarHBondContact O-N 2.86Å; D1063-E1067 WeakPolarHBondContact O-CG 3.37Å; D1063-E1067 PolarHBondContact O-N 3.49Å |
| 1064 | I | 82 | Confident | 78.9 | Confident | 43 Ų | 43 | 31.3 Ų | 31.3 | 22% | 0.221 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -43 | 177.6 | -68 | 165.1 | 0 | 0 | 0 | 110.2 | I917 A1061 S1066 E1067 L1068 | I917-I1064 HydrophobicContact CG1-CG1 4.1Å; A1061-I1064 WeakPolarHBondContact O-CB 3.24Å; A1061-I1064 PolarHBondContact O-N 3.49Å; I1064-S1066 VanDerWaalsContact C-N 3.3Å; I1064-S1066 PolarHBondContact O-N 3.02Å; I1064-E1067 PolarHBondContact O-N 3.21Å; I1064-L1068 HydrophobicContact CG2-CD1 4.04Å; I1064-L1068 WeakPolarHBondContact O-CG 3.48Å; I1064-L1068 PolarHBondContact O-N 2.94Å |
| 1065 | I | 86.5 | Confident | 79.2 | Confident | 9 Ų | 9 | 29.8 Ų | 29.8 | 5% | 0.046 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 176.5 | -61 | 170.2 | 0 | 0 | 0 | 110 | I830 L1051 E1052 A1061 P1062 L1068 T1069 | I830-I1065 HydrophobicContact CD1-CB 4.41Å; I830-I1065 HydrophobicContact CD1-CD1 3.98Å; I830-I1065 HydrophobicContact CD1-CG2 3.87Å; I830-I1065 HydrophobicContact CG1-CB 4.22Å; I830-I1065 HydrophobicContact CG1-CD1 4.3Å; I830-I1065 HydrophobicContact CG1-CG2 4.05Å; I830-I1065 HydrophobicContact CG2-CG2 3.94Å; L1051-I1065 HydrophobicContact CB-CG2 4.07Å; E1052-I1065 HydrophobicContact CB-CD1 3.91Å; E1052-I1065 HydrophobicContact CG-CD1 3.94Å; A1061-I1065 PolarHBondContact O-N 2.82Å; P1062-I1065 PolarHBondContact O-N 3.2Å; I1065-L1068 PolarHBondContact O-N 3Å; I1065-T1069 VanDerWaalsContact O-CB 3.31Å; I1065-T1069 WeakPolarHBondContact O-CB 3.49Å; I1065-T1069 PolarHBondContact O-N 3.09Å; I1065-T1069 PolarHBondContact O-OG1 2.7Å |
| 1066 | S | 88.2 | Confident | 79.7 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | 176.9 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | R831 R882 P1062 D1063 I1064 T1069 W1070 | R831-S1066 PolarHBondContact N-OG 3Å; R831-S1066 WeakPolarHBondContact O-CB 3.28Å; R882-S1066 PolarHBondContact NH2-O 3.44Å; P1062-S1066 WeakPolarHBondContact O-CB 3.17Å; P1062-S1066 PolarHBondContact O-N 2.65Å; P1062-S1066 PolarHBondContact O-OG 2.9Å; D1063-S1066 WeakPolarHBondContact O-CB 3.48Å; D1063-S1066 PolarHBondContact O-N 2.86Å; I1064-S1066 VanDerWaalsContact C-N 3.3Å; I1064-S1066 PolarHBondContact O-N 3.02Å; S1066-T1069 PolarHBondContact O-N 3.37Å; S1066-W1070 PolarHBondContact O-N 3.5Å |
| 1067 | E | 86.9 | Confident | 80.4 | Confident | 8 Ų | 8 | 27.6 Ų | 27.6 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 173.1 | -76.3 | -53.5 | 134.3 | 0 | 0 | 112.4 | Y820 R882 I915 I917 D1063 I1064 W1070 Q1071 | Y820-E1067 WeakPolarHBondContact CE2-OE1 3.16Å; Y820-E1067 PolarHBondContact OH-OE1 3.39Å; R882-E1067 IonicContact CZ-OE1 2.71Å; R882-E1067 IonicContact NH1-OE1 3.49Å; R882-E1067 PolarHBondContact NH1-OE1 3.04Å; R882-E1067 VanDerWaalsContact NH2-CD 3.3Å; R882-E1067 IonicContact NH2-OE1 3.53Å; R882-E1067 PolarHBondContact NH2-OE1 2.85Å; R882-E1067 IonicContact NH2-OE2 3.18Å; I915-E1067 HydrophobicContact CG2-CG 4.44Å; I917-E1067 HydrophobicContact CD1-CG 4.49Å; D1063-E1067 WeakPolarHBondContact O-CG 3.37Å; D1063-E1067 PolarHBondContact O-N 3.49Å; I1064-E1067 PolarHBondContact O-N 3.21Å; E1067-W1070 PolarHBondContact O-NE1 2.84Å; E1067-W1070 PolarHBondContact OE2-NE1 2.86Å; E1067-Q1071 WeakPolarHBondContact O-CG 3.14Å; E1067-Q1071 PolarHBondContact O-N 3Å; E1067-Q1071 PolarHBondContact O-NE2 3.26Å; E1067-Q1071 VanDerWaalsContact O-NE2 3.1Å |
| 1068 | L | 87.6 | Confident | 81.7 | Confident | 22 Ų | 22 | 22.2 Ų | 22.2 | 12% | 0.115 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.2 | -38 | 176.1 | -74.1 | 169 | 0 | 0 | 0 | 111.8 | L1051 L1055 I1064 I1065 W1070 Q1071 L1072 | L1051-L1068 HydrophobicContact CD1-CB 4.4Å; L1055-L1068 HydrophobicContact CD1-CD1 3.61Å; I1064-L1068 HydrophobicContact CG2-CD1 4.04Å; I1064-L1068 WeakPolarHBondContact O-CG 3.48Å; I1064-L1068 PolarHBondContact O-N 2.94Å; I1065-L1068 PolarHBondContact O-N 3Å; L1068-W1070 PolarHBondContact O-N 3.36Å; L1068-Q1071 PolarHBondContact O-N 3.17Å; L1068-L1072 HydrophobicContact CB-CD1 4.18Å; L1068-L1072 VanDerWaalsContact O-CB 3.26Å; L1068-L1072 WeakPolarHBondContact O-CB 3.39Å; L1068-L1072 WeakPolarHBondContact O-CD1 3.46Å; L1068-L1072 WeakPolarHBondContact O-CG 3.08Å; L1068-L1072 PolarHBondContact O-N 3.09Å |
| 1069 | T | 90.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.3 | -46.2 | -175.9 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | P832 A1044 L1047 G1048 I1065 S1066 S1073 | P832-T1069 HydrophobicContact CB-CG2 4.3Å; A1044-T1069 WeakPolarHBondContact O-CG2 3.46Å; L1047-T1069 HydrophobicContact CB-CG2 4.43Å; L1047-T1069 HydrophobicContact CD2-CG2 4.16Å; L1047-T1069 WeakPolarHBondContact CD2-O 3.18Å; L1047-T1069 HydrophobicContact CG-CG2 4.3Å; G1048-T1069 WeakPolarHBondContact CA-OG1 3.45Å; I1065-T1069 VanDerWaalsContact O-CB 3.31Å; I1065-T1069 WeakPolarHBondContact O-CB 3.49Å; I1065-T1069 PolarHBondContact O-N 3.09Å; I1065-T1069 PolarHBondContact O-OG1 2.7Å; S1066-T1069 PolarHBondContact O-N 3.37Å; T1069-S1073 VanDerWaalsContact O-CB 3.28Å; T1069-S1073 WeakPolarHBondContact O-CB 3.29Å; T1069-S1073 PolarHBondContact O-N 3.25Å; T1069-S1073 PolarHBondContact O-OG 2.84Å |
| 1070 | W | 90.9 | Very high | 84.7 | Confident | 1 Ų | 1 | 14 Ų | 14 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -76.3 | -35.3 | -178.3 | 85.1 | -74.6 | 0 | 0 | 0 | 112.7 | I788 F790 M815 T834 W836 N1014 S1066 E1067 L1068 S1073 S1074 | I788-W1070 HydrophobicContact CD1-CZ3 4.36Å; F790-W1070 HydrophobicContact CE1-CH2 4.08Å; F790-W1070 HydrophobicContact CE1-CZ2 4.12Å; F790-W1070 HydrophobicContact CZ-CD2 4.49Å; F790-W1070 HydrophobicContact CZ-CE3 4.21Å; F790-W1070 AromaticContact CZ-CH2 3.63Å; F790-W1070 HydrophobicContact CZ-CH2 3.63Å; F790-W1070 AromaticContact CZ-CZ2 3.94Å; F790-W1070 HydrophobicContact CZ-CZ2 3.94Å; F790-W1070 AromaticContact CZ-CZ3 3.79Å; F790-W1070 HydrophobicContact CZ-CZ3 3.79Å; M815-W1070 HydrophobicContact CG-CZ2 4.19Å; M815-W1070 HydrophobicContact SD-CH2 4.47Å; M815-W1070 HydrophobicContact SD-CZ2 3.75Å; T834-W1070 HydrophobicContact CG2-CD2 4.21Å; T834-W1070 HydrophobicContact CG2-CE3 4.46Å; T834-W1070 HydrophobicContact CG2-CG 4.34Å; W836-W1070 HydrophobicContact CD2-CH2 4.09Å; W836-W1070 HydrophobicContact CD2-CZ3 4.44Å; W836-W1070 AromaticContact CE2-CH2 3.58Å; W836-W1070 HydrophobicContact CE3-CH2 4.24Å; W836-W1070 AromaticContact CH2-CH2 3.53Å; W836-W1070 HydrophobicContact CH2-CH2 3.53Å; W836-W1070 HydrophobicContact CH2-CZ2 4.03Å; W836-W1070 AromaticContact CZ2-CH2 3.31Å; W836-W1070 HydrophobicContact CZ2-CH2 3.31Å; W836-W1070 AromaticContact CZ2-CZ2 3.54Å; W836-W1070 HydrophobicContact CZ2-CZ2 3.54Å; W836-W1070 HydrophobicContact CZ2-CZ3 4.37Å; W836-W1070 AromaticContact CZ3-CH2 3.99Å; W836-W1070 HydrophobicContact CZ3-CH2 3.99Å; N1014-W1070 HydrophobicContact CB-CB 4.26Å; N1014-W1070 WeakPolarHBondContact OD1-CB 3.48Å; S1066-W1070 PolarHBondContact O-N 3.5Å; E1067-W1070 PolarHBondContact O-NE1 2.84Å; E1067-W1070 PolarHBondContact OE2-NE1 2.86Å; L1068-W1070 PolarHBondContact O-N 3.36Å; W1070-S1073 PolarHBondContact O-N 3.45Å; W1070-S1074 PolarHBondContact O-N 2.73Å |
| 1071 | Q | 90 | Very high | 85.8 | Confident | 10 Ų | 10 | 15.5 Ų | 15.5 | 5% | 0.047 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.6 | -49.5 | 173.1 | -68.8 | 164.9 | 29.5 | 0 | 0 | 111.1 | L458 F790 M815 E1067 L1068 S1074 V1075 | L458-Q1071 HydrophobicContact CD1-CB 4.5Å; L458-Q1071 HydrophobicContact CD2-CB 4.46Å; F790-Q1071 HydrophobicContact CD1-CG 3.95Å; F790-Q1071 HydrophobicContact CD2-CB 4.27Å; F790-Q1071 HydrophobicContact CD2-CG 4.48Å; F790-Q1071 HydrophobicContact CE1-CG 3.84Å; F790-Q1071 HydrophobicContact CE2-CB 4.38Å; F790-Q1071 HydrophobicContact CE2-CG 4.38Å; F790-Q1071 HydrophobicContact CG-CB 4.33Å; F790-Q1071 HydrophobicContact CG-CG 4.28Å; F790-Q1071 HydrophobicContact CZ-CG 4.06Å; M815-Q1071 HydrophobicContact CE-CG 4.42Å; E1067-Q1071 WeakPolarHBondContact O-CG 3.14Å; E1067-Q1071 PolarHBondContact O-N 3Å; E1067-Q1071 PolarHBondContact O-NE2 3.26Å; E1067-Q1071 VanDerWaalsContact O-NE2 3.1Å; L1068-Q1071 PolarHBondContact O-N 3.17Å; Q1071-S1074 WeakPolarHBondContact O-CB 3.47Å; Q1071-S1074 PolarHBondContact O-N 2.93Å; Q1071-V1075 PolarHBondContact O-N 3.35Å; Q1071-V1075 VanDerWaalsContact O-N 3.12Å |
| 1072 | L | 90.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68 | -36.6 | 179.4 | -64.6 | 167.7 | 0 | 0 | 0 | 111.3 | L455 L458 I460 L1047 L1051 L1068 S1074 V1075 L1076 | L455-L1072 HydrophobicContact CD2-CD2 3.37Å; L458-L1072 HydrophobicContact CB-CD2 4.04Å; L458-L1072 HydrophobicContact CD1-CD2 3.71Å; L458-L1072 HydrophobicContact CD1-CG 4.48Å; I460-L1072 HydrophobicContact CD1-CD1 3.85Å; I460-L1072 HydrophobicContact CG1-CD1 4.16Å; I460-L1072 HydrophobicContact CG1-CD2 3.94Å; L1047-L1072 HydrophobicContact CD2-CB 4.18Å; L1051-L1072 HydrophobicContact CD1-CD1 3.61Å; L1051-L1072 HydrophobicContact CD2-CD1 3.5Å; L1051-L1072 HydrophobicContact CG-CD1 4.18Å; L1068-L1072 HydrophobicContact CB-CD1 4.18Å; L1068-L1072 VanDerWaalsContact O-CB 3.26Å; L1068-L1072 WeakPolarHBondContact O-CB 3.39Å; L1068-L1072 WeakPolarHBondContact O-CD1 3.46Å; L1068-L1072 WeakPolarHBondContact O-CG 3.08Å; L1068-L1072 PolarHBondContact O-N 3.09Å; L1072-S1074 VanDerWaalsContact C-N 3.32Å; L1072-S1074 PolarHBondContact O-N 3.34Å; L1072-V1075 PolarHBondContact O-N 2.94Å; L1072-L1076 VanDerWaalsContact O-CB 3.26Å; L1072-L1076 WeakPolarHBondContact O-CB 3.37Å; L1072-L1076 WeakPolarHBondContact O-CD1 3.25Å; L1072-L1076 WeakPolarHBondContact O-CG 3.38Å; L1072-L1076 PolarHBondContact O-N 2.97Å |
| 1073 | S | 90.4 | Very high | 86.4 | Confident | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.007 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.1 | -44.1 | 172.2 | -64.4 | 0 | 0 | 0 | 0 | 111.5 | L1047 T1069 W1070 Q1077 | L1047-S1073 WeakPolarHBondContact CD2-OG 3.43Å; T1069-S1073 VanDerWaalsContact O-CB 3.28Å; T1069-S1073 WeakPolarHBondContact O-CB 3.29Å; T1069-S1073 PolarHBondContact O-N 3.25Å; T1069-S1073 PolarHBondContact O-OG 2.84Å; W1070-S1073 PolarHBondContact O-N 3.45Å; S1073-Q1077 WeakPolarHBondContact O-CB 3.42Å; S1073-Q1077 PolarHBondContact O-N 3.03Å |
| 1074 | S | 89.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 177.1 | -167.1 | 0 | 0 | 0 | 0 | 112 | I788 N1014 W1070 Q1071 L1072 S1078 | I788-S1074 PolarHBondContact O-OG 3.37Å; N1014-S1074 PolarHBondContact O-N 2.8Å; W1070-S1074 PolarHBondContact O-N 2.73Å; Q1071-S1074 WeakPolarHBondContact O-CB 3.47Å; Q1071-S1074 PolarHBondContact O-N 2.93Å; L1072-S1074 VanDerWaalsContact C-N 3.32Å; L1072-S1074 PolarHBondContact O-N 3.34Å; S1074-S1078 VanDerWaalsContact O-CB 3.22Å; S1074-S1078 WeakPolarHBondContact O-CB 3.46Å; S1074-S1078 PolarHBondContact O-N 3.15Å; S1074-S1078 PolarHBondContact O-OG 3.49Å |
| 1075 | V | 89.2 | Confident | 85.8 | Confident | 4 Ų | 4 | 13.4 Ų | 13.4 | 2% | 0.024 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.1 | -47.1 | 179.2 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | M451 Q454 L455 L458 F790 Q1071 L1072 S1078 G1079 | M451-V1075 HydrophobicContact CG-CG1 4.23Å; Q454-V1075 HydrophobicContact CB-CG1 3.64Å; Q454-V1075 HydrophobicContact CB-CG2 4.39Å; L455-V1075 HydrophobicContact CD2-CB 4.25Å; L455-V1075 HydrophobicContact CD2-CG1 3.73Å; L455-V1075 HydrophobicContact CG-CG1 4Å; L458-V1075 HydrophobicContact CD1-CG2 3.82Å; F790-V1075 HydrophobicContact CB-CG2 4.5Å; Q1071-V1075 PolarHBondContact O-N 3.35Å; Q1071-V1075 VanDerWaalsContact O-N 3.12Å; L1072-V1075 PolarHBondContact O-N 2.94Å; V1075-S1078 PolarHBondContact O-OG 3.48Å; V1075-S1078 VanDerWaalsContact O-OG 3.09Å; V1075-G1079 PolarHBondContact O-N 3.48Å |
| 1076 | L | 90.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.5 | -45.9 | -179.7 | -71.6 | 166.3 | 0 | 0 | 0 | 111.2 | M451 L455 L468 I469 Y472 L1047 L1072 G1079 I1080 | M451-L1076 HydrophobicContact SD-CD2 4.13Å; L455-L1076 HydrophobicContact CD1-CD2 3.75Å; L455-L1076 HydrophobicContact CD2-CD2 4.14Å; L455-L1076 HydrophobicContact CD2-CG 4.07Å; L468-L1076 HydrophobicContact CD2-CD1 4.29Å; I469-L1076 HydrophobicContact CB-CD2 4.45Å; I469-L1076 HydrophobicContact CG1-CD2 3.83Å; Y472-L1076 HydrophobicContact CD1-CB 3.56Å; Y472-L1076 HydrophobicContact CD1-CD1 3.99Å; Y472-L1076 HydrophobicContact CD1-CG 4.26Å; Y472-L1076 HydrophobicContact CD2-CD1 3.88Å; Y472-L1076 HydrophobicContact CE1-CB 3.61Å; Y472-L1076 HydrophobicContact CE1-CD1 4.45Å; Y472-L1076 HydrophobicContact CE2-CD1 4.37Å; Y472-L1076 HydrophobicContact CG-CB 4.16Å; Y472-L1076 HydrophobicContact CG-CD1 3.67Å; Y472-L1076 HydrophobicContact CG-CG 4.4Å; L1047-L1076 HydrophobicContact CD1-CD1 4.05Å; L1047-L1076 HydrophobicContact CD2-CD1 4.2Å; L1072-L1076 VanDerWaalsContact O-CB 3.26Å; L1072-L1076 WeakPolarHBondContact O-CB 3.37Å; L1072-L1076 WeakPolarHBondContact O-CD1 3.25Å; L1072-L1076 WeakPolarHBondContact O-CG 3.38Å; L1072-L1076 PolarHBondContact O-N 2.97Å; L1076-G1079 PolarHBondContact O-N 3.25Å; L1076-I1080 VanDerWaalsContact O-CB 3.29Å; L1076-I1080 WeakPolarHBondContact O-CB 3.49Å; L1076-I1080 WeakPolarHBondContact O-CD1 3.17Å; L1076-I1080 WeakPolarHBondContact O-CG1 3.43Å; L1076-I1080 PolarHBondContact O-N 3.12Å |
| 1077 | Q | 85.7 | Confident | 84.5 | Confident | 23 Ų | 23 | 14.1 Ų | 14.1 | 11% | 0.107 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.5 | -44 | -178.4 | -166.3 | 174.2 | -5.4 | 0 | 0 | 111.6 | Y787 N1042 S1073 I1080 E1081 | Y787-Q1077 HydrophobicContact CE1-CB 4.06Å; Y787-Q1077 HydrophobicContact CE1-CG 3.92Å; Y787-Q1077 WeakPolarHBondContact OH-CG 3.24Å; Y787-Q1077 PolarHBondContact OH-NE2 2.9Å; Y787-Q1077 VanDerWaalsContact OH-NE2 3.1Å; N1042-Q1077 PolarHBondContact ND2-NE2 3.37Å; S1073-Q1077 WeakPolarHBondContact O-CB 3.42Å; S1073-Q1077 PolarHBondContact O-N 3.03Å; Q1077-I1080 PolarHBondContact O-N 3.41Å; Q1077-E1081 WeakPolarHBondContact O-CB 3.21Å; Q1077-E1081 WeakPolarHBondContact O-CG 3.27Å; Q1077-E1081 PolarHBondContact O-N 3Å |
| 1078 | S | 85.1 | Confident | 83.5 | Confident | 34 Ų | 34 | 15.8 Ų | 15.8 | 24% | 0.238 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64 | -41.3 | 174.7 | 62.5 | 0 | 0 | 0 | 0 | 112.2 | S1074 V1075 A1082 | S1074-S1078 VanDerWaalsContact O-CB 3.22Å; S1074-S1078 WeakPolarHBondContact O-CB 3.46Å; S1074-S1078 PolarHBondContact O-N 3.15Å; S1074-S1078 PolarHBondContact O-OG 3.49Å; V1075-S1078 PolarHBondContact O-OG 3.48Å; V1075-S1078 VanDerWaalsContact O-OG 3.09Å; S1078-A1082 VanDerWaalsContact O-CB 3.26Å; S1078-A1082 WeakPolarHBondContact O-CB 3.48Å; S1078-A1082 PolarHBondContact O-N 3.41Å |
| 1079 | G | 85.3 | Confident | 82.3 | Confident | 3 Ų | 3 | 18.1 Ų | 18.1 | 3% | 0.031 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1075 L1076 A1082 T1083 | V1075-G1079 PolarHBondContact O-N 3.48Å; L1076-G1079 PolarHBondContact O-N 3.25Å; G1079-A1082 PolarHBondContact O-N 3.03Å; G1079-T1083 WeakPolarHBondContact O-CB 3.22Å; G1079-T1083 WeakPolarHBondContact O-CG2 3.23Å; G1079-T1083 PolarHBondContact O-N 2.63Å; G1079-T1083 PolarHBondContact O-OG1 3.33Å |
| 1080 | I | 84.6 | Confident | 80.8 | Confident | 19 Ų | 19 | 18.2 Ų | 18.2 | 10% | 0.097 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.3 | -41.1 | 177.4 | -69.5 | 165.1 | 0 | 0 | 0 | 111.5 | M451 Y472 L1076 Q1077 T1083 S1084 | M451-I1080 HydrophobicContact SD-CG1 4.43Å; Y472-I1080 HydrophobicContact CD1-CD1 3.69Å; Y472-I1080 HydrophobicContact CE1-CD1 4.24Å; L1076-I1080 VanDerWaalsContact O-CB 3.29Å; L1076-I1080 WeakPolarHBondContact O-CB 3.49Å; L1076-I1080 WeakPolarHBondContact O-CD1 3.17Å; L1076-I1080 WeakPolarHBondContact O-CG1 3.43Å; L1076-I1080 PolarHBondContact O-N 3.12Å; Q1077-I1080 PolarHBondContact O-N 3.41Å; I1080-T1083 VanDerWaalsContact CA-OG1 3.28Å; I1080-T1083 WeakPolarHBondContact CA-OG1 3.46Å; I1080-T1083 PolarHBondContact O-OG1 3.05Å; I1080-S1084 VanDerWaalsContact O-CB 3.27Å; I1080-S1084 WeakPolarHBondContact O-CB 3.5Å; I1080-S1084 PolarHBondContact O-N 3.09Å; I1080-S1084 PolarHBondContact O-OG 2.93Å |
| 1081 | E | 78.7 | Confident | 79 | Confident | 56 Ų | 56 | 19 Ų | 19 | 26% | 0.262 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 175 | -77.1 | -173.5 | -166.7 | 0 | 0 | 111.7 | K786 Y787 Q1077 S1084 S1085 | K786-E1081 IonicContact NZ-OE1 2.74Å; K786-E1081 IonicContact NZ-OE2 3.18Å; K786-E1081 PolarHBondContact NZ-OE2 2.96Å; Y787-E1081 WeakPolarHBondContact CE2-OE2 3.32Å; Y787-E1081 PolarHBondContact OH-OE1 3.2Å; Y787-E1081 PolarHBondContact OH-OE2 3.09Å; Q1077-E1081 WeakPolarHBondContact O-CB 3.21Å; Q1077-E1081 WeakPolarHBondContact O-CG 3.27Å; Q1077-E1081 PolarHBondContact O-N 3Å; E1081-S1084 PolarHBondContact O-N 3.26Å; E1081-S1085 WeakPolarHBondContact O-CB 3.05Å; E1081-S1085 PolarHBondContact O-N 2.66Å |
| 1082 | A | 80 | Confident | 77 | Confident | 32 Ų | 32 | 20.6 Ų | 20.6 | 26% | 0.264 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -66.2 | -40.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q447 S1078 G1079 S1085 V1086 | Q447-A1082 HydrophobicContact CG-CB 4.04Å; S1078-A1082 VanDerWaalsContact O-CB 3.26Å; S1078-A1082 WeakPolarHBondContact O-CB 3.48Å; S1078-A1082 PolarHBondContact O-N 3.41Å; G1079-A1082 PolarHBondContact O-N 3.03Å; A1082-S1085 WeakPolarHBondContact O-CB 3.43Å; A1082-S1085 PolarHBondContact O-N 2.83Å; A1082-V1086 WeakPolarHBondContact O-CG2 3.49Å; A1082-V1086 PolarHBondContact O-N 3.4Å |
| 1083 | T | 82.9 | Confident | 74.9 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.5 | -42.5 | 176.1 | 48.6 | 0 | 0 | 0 | 0 | 111.6 | Q447 E448 G1079 I1080 S1085 V1086 I1087 | Q447-T1083 HydrophobicContact CB-CG2 3.82Å; Q447-T1083 HydrophobicContact CG-CG2 3.42Å; Q447-T1083 VanDerWaalsContact CG-CG2 3.42Å; E448-T1083 HydrophobicContact CG-CG2 4.29Å; E448-T1083 VanDerWaalsContact OE1-CG2 3.22Å; E448-T1083 WeakPolarHBondContact OE1-CG2 3.29Å; G1079-T1083 WeakPolarHBondContact O-CB 3.22Å; G1079-T1083 WeakPolarHBondContact O-CG2 3.23Å; G1079-T1083 PolarHBondContact O-N 2.63Å; G1079-T1083 PolarHBondContact O-OG1 3.33Å; I1080-T1083 VanDerWaalsContact CA-OG1 3.28Å; I1080-T1083 WeakPolarHBondContact CA-OG1 3.46Å; I1080-T1083 PolarHBondContact O-OG1 3.05Å; T1083-S1085 VanDerWaalsContact C-N 3.27Å; T1083-S1085 PolarHBondContact O-N 3.33Å; T1083-V1086 PolarHBondContact O-N 3.07Å; T1083-I1087 VanDerWaalsContact O-CG1 3.29Å; T1083-I1087 WeakPolarHBondContact O-CG1 3.43Å; T1083-I1087 PolarHBondContact O-N 3.49Å |
| 1084 | S | 77.2 | Confident | 72.8 | Confident | 28 Ų | 28 | 22.6 Ų | 22.6 | 20% | 0.196 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.9 | -36.5 | 174.3 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | I1080 E1081 I1087 S1088 G1103 | I1080-S1084 VanDerWaalsContact O-CB 3.27Å; I1080-S1084 WeakPolarHBondContact O-CB 3.5Å; I1080-S1084 PolarHBondContact O-N 3.09Å; I1080-S1084 PolarHBondContact O-OG 2.93Å; E1081-S1084 PolarHBondContact O-N 3.26Å; S1084-I1087 PolarHBondContact O-N 2.82Å; S1084-S1088 WeakPolarHBondContact O-CB 3.24Å; S1084-S1088 PolarHBondContact O-N 2.87Å; S1084-S1088 PolarHBondContact O-OG 3.09Å; S1084-G1103 WeakPolarHBondContact OG-CA 3.47Å |
| 1085 | S | 71.8 | Confident | 70.5 | Confident | 28 Ų | 28 | 25.1 Ų | 25.1 | 20% | 0.196 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.8 | -49.6 | 172.2 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | K774 E1081 A1082 T1083 I1087 S1088 E1089 | K774-S1085 WeakPolarHBondContact CE-OG 3.29Å; K774-S1085 PolarHBondContact NZ-OG 3.4Å; E1081-S1085 WeakPolarHBondContact O-CB 3.05Å; E1081-S1085 PolarHBondContact O-N 2.66Å; A1082-S1085 WeakPolarHBondContact O-CB 3.43Å; A1082-S1085 PolarHBondContact O-N 2.83Å; T1083-S1085 VanDerWaalsContact C-N 3.27Å; T1083-S1085 PolarHBondContact O-N 3.33Å; S1085-I1087 VanDerWaalsContact C-N 3.32Å; S1085-I1087 PolarHBondContact O-N 2.99Å; S1085-S1088 WeakPolarHBondContact CA-OG 3.41Å; S1085-S1088 PolarHBondContact O-N 3.44Å; S1085-S1088 PolarHBondContact O-OG 2.95Å; S1085-E1089 WeakPolarHBondContact O-CG 3.2Å; S1085-E1089 PolarHBondContact O-N 2.81Å; S1085-E1089 PolarHBondContact OG-OE1 3.3Å |
| 1086 | V | 75.4 | Confident | 68.2 | Low | 22 Ų | 22 | 25.1 Ų | 25.1 | 13% | 0.133 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.4 | -44.2 | 176.6 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | D443 V444 A1082 T1083 S1088 E1089 T1090 | D443-V1086 HydrophobicContact CB-CG1 3.84Å; V444-V1086 HydrophobicContact CG2-CG1 4.11Å; A1082-V1086 WeakPolarHBondContact O-CG2 3.49Å; A1082-V1086 PolarHBondContact O-N 3.4Å; T1083-V1086 PolarHBondContact O-N 3.07Å; V1086-S1088 PolarHBondContact O-N 3.43Å; V1086-E1089 PolarHBondContact O-N 3.48Å; V1086-T1090 HydrophobicContact CG1-CG2 4.48Å; V1086-T1090 VanDerWaalsContact O-CG2 3.3Å; V1086-T1090 WeakPolarHBondContact O-CG2 3.05Å; V1086-T1090 PolarHBondContact O-N 3.42Å; V1086-T1090 PolarHBondContact O-OG1 3.35Å |
| 1087 | I | 71.6 | Confident | 65.9 | Low | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.8 | -37.6 | 177.6 | -64 | 161.3 | 0 | 0 | 0 | 111.5 | I430 V444 T1083 S1084 S1085 E1089 T1090 S1091 | I430-I1087 HydrophobicContact CD1-CD1 4.27Å; I430-I1087 HydrophobicContact CG2-CD1 3.6Å; V444-I1087 HydrophobicContact CG2-CG1 4.02Å; T1083-I1087 VanDerWaalsContact O-CG1 3.29Å; T1083-I1087 WeakPolarHBondContact O-CG1 3.43Å; T1083-I1087 PolarHBondContact O-N 3.49Å; S1084-I1087 PolarHBondContact O-N 2.82Å; S1085-I1087 VanDerWaalsContact C-N 3.32Å; S1085-I1087 PolarHBondContact O-N 2.99Å; I1087-E1089 VanDerWaalsContact C-N 3.32Å; I1087-E1089 PolarHBondContact O-N 2.93Å; I1087-T1090 WeakPolarHBondContact CA-OG1 3.36Å; I1087-T1090 PolarHBondContact O-N 2.65Å; I1087-T1090 PolarHBondContact O-OG1 3.31Å; I1087-T1090 VanDerWaalsContact O-OG1 3.12Å; I1087-S1091 WeakPolarHBondContact O-CA 3.2Å; I1087-S1091 WeakPolarHBondContact O-CB 3.49Å; I1087-S1091 PolarHBondContact O-N 2.77Å; I1087-S1091 PolarHBondContact O-OG 3.4Å |
| 1088 | S | 64.9 | Low | 63.7 | Low | 44 Ų | 44 | 31.3 Ų | 31.3 | 31% | 0.308 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 176.4 | 69.9 | 0 | 0 | 0 | 0 | 111.5 | S1084 S1085 V1086 T1090 S1091 S1092 | S1084-S1088 WeakPolarHBondContact O-CB 3.24Å; S1084-S1088 PolarHBondContact O-N 2.87Å; S1084-S1088 PolarHBondContact O-OG 3.09Å; S1085-S1088 WeakPolarHBondContact CA-OG 3.41Å; S1085-S1088 PolarHBondContact O-N 3.44Å; S1085-S1088 PolarHBondContact O-OG 2.95Å; V1086-S1088 PolarHBondContact O-N 3.43Å; S1088-T1090 VanDerWaalsContact C-N 3.34Å; S1088-T1090 PolarHBondContact O-N 3.07Å; S1088-S1091 WeakPolarHBondContact CA-OG 3.27Å; S1088-S1091 PolarHBondContact O-OG 3.27Å; S1088-S1092 PolarHBondContact O-N 3.15Å |
| 1089 | E | 63.6 | Low | 61.6 | Low | 71 Ų | 71 | 38.5 Ų | 38.5 | 33% | 0.332 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.7 | -38.4 | 174.9 | -73 | 165.4 | -153.7 | 0 | 0 | 111 | K774 S1085 V1086 I1087 S1092 V1093 | K774-E1089 IonicContact NZ-OE1 3.51Å; K774-E1089 PolarHBondContact NZ-OE1 2.88Å; S1085-E1089 WeakPolarHBondContact O-CG 3.2Å; S1085-E1089 PolarHBondContact O-N 2.81Å; S1085-E1089 PolarHBondContact OG-OE1 3.3Å; V1086-E1089 PolarHBondContact O-N 3.48Å; I1087-E1089 VanDerWaalsContact C-N 3.32Å; I1087-E1089 PolarHBondContact O-N 2.93Å; E1089-S1092 PolarHBondContact O-OG 3.18Å; E1089-V1093 WeakPolarHBondContact O-CG2 3.23Å |
| 1090 | T | 59.4 | Low | 59.5 | Low | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -83.5 | -31 | -179.9 | 62.4 | 0 | 0 | 0 | 0 | 114.1 | A440 V1086 I1087 S1088 V1093 D1094 I1096 | A440-T1090 HydrophobicContact CB-CG2 3.76Å; V1086-T1090 HydrophobicContact CG1-CG2 4.48Å; V1086-T1090 VanDerWaalsContact O-CG2 3.3Å; V1086-T1090 WeakPolarHBondContact O-CG2 3.05Å; V1086-T1090 PolarHBondContact O-N 3.42Å; V1086-T1090 PolarHBondContact O-OG1 3.35Å; I1087-T1090 WeakPolarHBondContact CA-OG1 3.36Å; I1087-T1090 PolarHBondContact O-N 2.65Å; I1087-T1090 PolarHBondContact O-OG1 3.31Å; I1087-T1090 VanDerWaalsContact O-OG1 3.12Å; S1088-T1090 VanDerWaalsContact C-N 3.34Å; S1088-T1090 PolarHBondContact O-N 3.07Å; T1090-V1093 WeakPolarHBondContact O-CA 3.49Å; T1090-V1093 WeakPolarHBondContact O-CB 3.29Å; T1090-V1093 PolarHBondContact O-N 2.86Å; T1090-V1093 VanDerWaalsContact O-N 3.1Å; T1090-D1094 PolarHBondContact O-N 3.12Å; T1090-I1096 VanDerWaalsContact CB-CD1 3.45Å; T1090-I1096 WeakPolarHBondContact OG1-CD1 3.39Å |
| 1091 | S | 51.8 | Low | 57.8 | Low | 17 Ų | 17 | 44.1 Ų | 44.1 | 12% | 0.119 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -74 | -30.1 | 178.5 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | I1087 S1088 V1093 N1102 | I1087-S1091 WeakPolarHBondContact O-CA 3.2Å; I1087-S1091 WeakPolarHBondContact O-CB 3.49Å; I1087-S1091 PolarHBondContact O-N 2.77Å; I1087-S1091 PolarHBondContact O-OG 3.4Å; S1088-S1091 WeakPolarHBondContact CA-OG 3.27Å; S1088-S1091 PolarHBondContact O-OG 3.27Å; S1091-V1093 PolarHBondContact O-N 2.82Å; S1091-N1102 PolarHBondContact OG-ND2 3.29Å |
| 1092 | S | 49 | Very low | 56.3 | Low | 45 Ų | 45 | 43.5 Ų | 43.5 | 32% | 0.315 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58 | -23.7 | 167.2 | 73 | 0 | 0 | 0 | 0 | 112 | S1088 E1089 I1352 | S1088-S1092 PolarHBondContact O-N 3.15Å; E1089-S1092 PolarHBondContact O-OG 3.18Å; S1092-I1352 WeakPolarHBondContact O-CD1 3.33Å |
| 1093 | V | 47.3 | Very low | 55 | Low | 14 Ų | 14 | 42.6 Ų | 42.6 | 9% | 0.085 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -99.8 | -46.8 | -176.4 | -172.5 | 0 | 0 | 0 | 0 | 112.4 | E1089 T1090 S1091 S1350 I1352 R1492 | E1089-V1093 WeakPolarHBondContact O-CG2 3.23Å; T1090-V1093 WeakPolarHBondContact O-CA 3.49Å; T1090-V1093 WeakPolarHBondContact O-CB 3.29Å; T1090-V1093 PolarHBondContact O-N 2.86Å; T1090-V1093 VanDerWaalsContact O-N 3.1Å; S1091-V1093 PolarHBondContact O-N 2.82Å; V1093-S1350 WeakPolarHBondContact CG1-O 3.38Å; V1093-S1350 WeakPolarHBondContact CG1-OG 3.24Å; V1093-S1350 VanDerWaalsContact CG2-O 3.31Å; V1093-S1350 WeakPolarHBondContact CG2-O 3.46Å; V1093-I1352 HydrophobicContact CB-CD1 4.42Å; V1093-I1352 HydrophobicContact CB-CG1 4.29Å; V1093-I1352 HydrophobicContact CG1-CD1 4.31Å; V1093-I1352 HydrophobicContact CG1-CG1 4.13Å; V1093-I1352 HydrophobicContact CG2-CG1 4.09Å; V1093-R1492 PolarHBondContact O-NE 3.43Å; V1093-R1492 VanDerWaalsContact O-NE 3.15Å; V1093-R1492 PolarHBondContact O-NH1 2.84Å; V1093-R1492 PolarHBondContact O-NH2 3.39Å |
| 1094 | D | 45 | Very low | 54 | Low | 29 Ų | 29 | 45.1 Ų | 45.1 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -134.1 | 16.7 | -158.2 | -71.2 | -51.9 | 0 | 0 | 0 | 116.7 | T1090 I1096 R1492 | T1090-D1094 PolarHBondContact O-N 3.12Å; D1094-I1096 HydrophobicContact CB-CD1 4.18Å; D1094-I1096 HydrophobicContact CB-CG1 4.25Å; D1094-I1096 PolarHBondContact O-N 3.47Å; D1094-R1492 IonicContact OD1-CZ 2.84Å; D1094-R1492 IonicContact OD1-NH1 3.01Å; D1094-R1492 PolarHBondContact OD1-NH1 2.99Å; D1094-R1492 IonicContact OD1-NH2 2.98Å; D1094-R1492 PolarHBondContact OD1-NH2 2.84Å |
| 1095 | G | 41.4 | Very low | 54.2 | Low | 52 Ų | 52 | 43.9 Ų | 43.9 | 54% | 0.536 | 25% | 0.252 | S | S | . | . | trans | 64.4 | 26.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1097 | G1095-S1097 PolarHBondContact O-N 3.41Å; G1095-S1097 VanDerWaalsContact O-N 3.14Å | ||
| 1096 | I | 41.2 | Very low | 54.7 | Low | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -63.8 | -18.7 | -176.1 | -70 | 162.5 | 0 | 0 | 0 | 112.6 | L432 S433 V436 A440 T1090 D1094 | L432-I1096 HydrophobicContact CD2-CG2 3.79Å; S433-I1096 PolarHBondContact N-O 3.47Å; V436-I1096 HydrophobicContact CG2-CG1 4.46Å; A440-I1096 HydrophobicContact CB-CD1 3.71Å; T1090-I1096 VanDerWaalsContact CB-CD1 3.45Å; T1090-I1096 WeakPolarHBondContact OG1-CD1 3.39Å; D1094-I1096 HydrophobicContact CB-CD1 4.18Å; D1094-I1096 HydrophobicContact CB-CG1 4.25Å; D1094-I1096 PolarHBondContact O-N 3.47Å |
| 1097 | S | 41.5 | Very low | 55.1 | Low | 16 Ų | 16 | 45 Ų | 45 | 11% | 0.112 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -158.1 | 142.3 | 171.3 | -170.3 | 0 | 0 | 0 | 0 | 108.5 | G1095 K1099 | G1095-S1097 PolarHBondContact O-N 3.41Å; G1095-S1097 VanDerWaalsContact O-N 3.14Å; S1097-K1099 PolarHBondContact O-N 3.4Å |
| 1098 | D | 41.1 | Very low | 55.7 | Low | 138 Ų | 138 | 46.2 Ų | 46.2 | 74% | 0.738 | 26% | 0.261 | S | S | * | . | trans | -52.1 | 131.2 | 164.7 | -100.4 | -27.7 | 0 | 0 | 0 | 107.9 | S1100 Q1101 | D1098-S1100 PolarHBondContact O-N 3.07Å; D1098-Q1101 PolarHBondContact O-N 3.04Å | ||
| 1099 | K | 40.7 | Very low | 56.5 | Low | 184 Ų | 184 | 50.2 Ų | 50.2 | 80% | 0.8 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | -17.2 | -173.9 | -72.3 | -177.2 | 175.1 | -176.4 | 0 | 114.3 | S1097 | S1097-K1099 PolarHBondContact O-N 3.4Š|
| 1100 | S | 41.2 | Very low | 57.5 | Low | 55 Ų | 55 | 49.6 Ų | 49.6 | 39% | 0.385 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -18.5 | 178.8 | 62.7 | 0 | 0 | 0 | 0 | 115.7 | D1098 | D1098-S1100 PolarHBondContact O-N 3.07Š|
| 1101 | Q | 47.8 | Very low | 59 | Low | 85 Ų | 85 | 50.7 Ų | 50.7 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | trans | -119.4 | 10.4 | -171.1 | -64.3 | -156.6 | 2.4 | 0 | 0 | 116.5 | D1098 G1103 H1104 | D1098-Q1101 PolarHBondContact O-N 3.04Å; Q1101-G1103 PolarHBondContact O-N 3.22Å; Q1101-H1104 WeakPolarHBondContact O-CB 3.45Å; Q1101-H1104 PolarHBondContact O-N 3.04Å | ||
| 1102 | N | 48 | Very low | 60.9 | Low | 43 Ų | 43 | 51.3 Ų | 51.3 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 112.1 | -176.2 | -83.6 | -12.5 | 0 | 0 | 0 | 112.9 | N481 S1091 | N481-N1102 PolarHBondContact ND2-O 3.43Å; N481-N1102 VanDerWaalsContact ND2-O 3.15Å; S1091-N1102 PolarHBondContact OG-ND2 3.29Å |
| 1103 | G | 51.6 | Low | 63 | Low | 14 Ų | 14 | 51.2 Ų | 51.2 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | -4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | S1084 Q1101 R1105 | S1084-G1103 WeakPolarHBondContact OG-CA 3.47Å; Q1101-G1103 PolarHBondContact O-N 3.22Å; G1103-R1105 PolarHBondContact O-N 3.05Å |
| 1104 | H | 63.1 | Low | 65.1 | Low | 54 Ų | 54 | 56.1 Ų | 56.1 | 25% | 0.25 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 126.3 | 177.3 | -158.8 | -59.8 | 0 | 0 | 0 | 110.5 | Q1101 | Q1101-H1104 WeakPolarHBondContact O-CB 3.45Å; Q1101-H1104 PolarHBondContact O-N 3.04Å |
| 1105 | R | 81.7 | Confident | 67.3 | Low | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -93.1 | 133.4 | 173.3 | -62.8 | -175.1 | -173.2 | -111 | 3 | 109.6 | N428 G429 I430 E448 I469 I470 S474 G1103 | N428-R1105 VanDerWaalsContact CB-NH1 3.33Å; N428-R1105 WeakPolarHBondContact O-CD 3.4Å; N428-R1105 PolarHBondContact O-NH1 3.47Å; G429-R1105 CarbonylContact O-C 3.57Å; G429-R1105 WeakPolarHBondContact O-CA 3.35Å; I430-R1105 HydrophobicContact CG1-CG 4.26Å; E448-R1105 IonicContact OE1-CZ 2.78Å; E448-R1105 IonicContact OE1-NH1 3.36Å; E448-R1105 IonicContact OE1-NH2 3.93Å; E448-R1105 PolarHBondContact OE1-NH2 3.2Å; E448-R1105 IonicContact OE2-CZ 2.59Å; E448-R1105 IonicContact OE2-NH1 3.44Å; E448-R1105 PolarHBondContact OE2-NH1 3.08Å; E448-R1105 IonicContact OE2-NH2 3.52Å; E448-R1105 PolarHBondContact OE2-NH2 3.19Å; I469-R1105 WeakPolarHBondContact O-CD 3.49Å; I470-R1105 HydrophobicContact CG2-CB 4.5Å; S474-R1105 PolarHBondContact OG-O 3.02Å; G1103-R1105 PolarHBondContact O-N 3.05Å |
| 1106 | I | 82 | Confident | 69.7 | Low | 35 Ų | 35 | 56 Ų | 56 | 18% | 0.179 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -101.4 | 122.2 | 179.2 | -58.9 | 177.1 | 0 | 0 | 0 | 108.1 | Y416 L426 G429 L431 L1108 | Y416-I1106 HydrophobicContact CD1-CG2 4Å; Y416-I1106 HydrophobicContact CE1-CG2 3.82Å; L426-I1106 HydrophobicContact CD1-CB 4.34Å; L426-I1106 HydrophobicContact CD1-CG2 4.43Å; L426-I1106 HydrophobicContact CD2-CD1 4.33Å; G429-I1106 WeakPolarHBondContact CA-O 3.43Å; G429-I1106 PolarHBondContact O-N 3.24Å; L431-I1106 HydrophobicContact CB-CD1 4.16Å; L431-I1106 HydrophobicContact CD2-CD1 4.39Å; I1106-L1108 HydrophobicContact CG2-CD2 4.16Å |
| 1107 | L | 83.4 | Confident | 72.2 | Confident | 40 Ų | 40 | 55.9 Ų | 55.9 | 21% | 0.209 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -102.9 | 116.3 | 167.5 | -173.9 | 59.1 | 0 | 0 | 0 | 109.1 | Y416 I470 E471 H1109 | Y416-L1107 PolarHBondContact OH-O 2.93Å; I470-L1107 HydrophobicContact CG2-CB 3.78Å; I470-L1107 HydrophobicContact CG2-CD1 3.83Å; I470-L1107 HydrophobicContact CG2-CG 4.28Å; E471-L1107 HydrophobicContact CG-CD2 3.89Å; L1107-H1109 VanDerWaalsContact CD2-NE2 3.34Å; L1107-H1109 WeakPolarHBondContact CD2-NE2 2.82Å; L1107-H1109 PolarHBondContact O-N 3Å |
| 1108 | L | 83.6 | Confident | 74.7 | Confident | 28 Ų | 28 | 55.2 Ų | 55.2 | 15% | 0.147 | 30% | 0.295 | C | S | . | . | trans | -76.8 | 114.3 | 178.3 | -65.9 | 177.5 | 0 | 0 | 0 | 110.8 | L412 Y416 L426 I1106 V1111 V1132 I1134 | L412-L1108 HydrophobicContact CD2-CD2 4.42Å; Y416-L1108 HydrophobicContact CD2-CD2 4.11Å; Y416-L1108 HydrophobicContact CE1-CD2 4.31Å; Y416-L1108 HydrophobicContact CE2-CD2 3.82Å; Y416-L1108 HydrophobicContact CG-CD2 4.48Å; Y416-L1108 WeakPolarHBondContact OH-CA 3.38Å; L426-L1108 HydrophobicContact CD1-CD1 4.34Å; L426-L1108 HydrophobicContact CD1-CG 4.34Å; I1106-L1108 HydrophobicContact CG2-CD2 4.16Å; L1108-V1111 HydrophobicContact CB-CG2 3.94Å; L1108-V1132 HydrophobicContact CD1-CG1 3.8Å; L1108-I1134 HydrophobicContact CD1-CD1 4.11Å | ||
| 1109 | H | 83 | Confident | 77.2 | Confident | 127 Ų | 127 | 50.6 Ų | 50.6 | 59% | 0.588 | 27% | 0.271 | S | S | * | . | trans | -110.3 | 146.3 | 173.4 | -77.3 | -57.7 | 0 | 0 | 0 | 111.2 | V411 Y416 L1107 V1111 | V411-H1109 WeakPolarHBondContact CG1-O 3.42Å; Y416-H1109 PolarHBondContact OH-N 3.29Å; L1107-H1109 VanDerWaalsContact CD2-NE2 3.34Å; L1107-H1109 WeakPolarHBondContact CD2-NE2 2.82Å; L1107-H1109 PolarHBondContact O-N 3Å; H1109-V1111 VanDerWaalsContact C-N 3.31Å; H1109-V1111 PolarHBondContact O-N 3.45Å | ||
| 1110 | G | 83.4 | Confident | 79.6 | Confident | 58 Ų | 58 | 43 Ų | 43 | 60% | 0.598 | 24% | 0.238 | S | C | * | . | S | Bend | trans | 80.8 | 0.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1111 | V | 91 | Very high | 81.8 | Confident | 24 Ų | 24 | 46.7 Ų | 46.7 | 15% | 0.145 | 25% | 0.249 | C | C | . | . | trans | -91.1 | 149.2 | 175.4 | -64.2 | 0 | 0 | 0 | 0 | 112.4 | N408 V411 L412 L1108 H1109 Y1113 L1163 | N408-V1111 WeakPolarHBondContact OD1-CA 3.24Å; V411-V1111 HydrophobicContact CB-CG1 4.43Å; V411-V1111 HydrophobicContact CG1-CG1 4.07Å; L412-V1111 HydrophobicContact CD2-CG1 4.36Å; L1108-V1111 HydrophobicContact CB-CG2 3.94Å; H1109-V1111 VanDerWaalsContact C-N 3.31Å; H1109-V1111 PolarHBondContact O-N 3.45Å; V1111-Y1113 HydrophobicContact CG2-CE2 3.93Å; V1111-L1163 HydrophobicContact CB-CD2 4.36Å; V1111-L1163 HydrophobicContact CG1-CD2 4.25Å | ||
| 1112 | S | 92.6 | Very high | 83.5 | Confident | 31 Ų | 31 | 43.5 Ų | 43.5 | 22% | 0.217 | 24% | 0.239 | C | C | . | . | trans | -115 | 146.6 | 178.7 | 174 | 0 | 0 | 0 | 0 | 111.6 | E404 N408 L1163 | E404-S1112 VanDerWaalsContact OE1-CB 3.23Å; E404-S1112 WeakPolarHBondContact OE1-CB 3.43Å; E404-S1112 VanDerWaalsContact OE1-O 3.12Å; E404-S1112 PolarHBondContact OE1-OG 3.36Å; N408-S1112 PolarHBondContact ND2-O 2.88Å; N408-S1112 PolarHBondContact OD1-N 3.03Å; S1112-L1163 WeakPolarHBondContact O-CD1 3.34Å | ||
| 1113 | Y | 93 | Very high | 85.1 | Confident | 43 Ų | 43 | 45 Ų | 45 | 17% | 0.169 | 25% | 0.247 | C | C | . | . | trans | -121.4 | 25 | -179.3 | -61.3 | -94.4 | 0 | 0 | 0 | 112.1 | E404 V1111 G1117 I1119 K1161 L1163 | E404-Y1113 PolarHBondContact OE1-N 2.82Å; V1111-Y1113 HydrophobicContact CG2-CE2 3.93Å; Y1113-G1117 CarbonylContact C-O 3.59Å; Y1113-G1117 CarbonylContact O-C 3.59Å; Y1113-I1119 HydrophobicContact CD1-CG1 4.17Å; Y1113-I1119 HydrophobicContact CD2-CD1 4.03Å; Y1113-I1119 HydrophobicContact CD2-CG1 4.48Å; Y1113-I1119 HydrophobicContact CG-CD1 4.03Å; Y1113-I1119 HydrophobicContact CG-CG1 4Å; Y1113-K1161 HydrophobicContact CE1-CB 3.89Å; Y1113-L1163 HydrophobicContact CD1-CD1 4.2Å; Y1113-L1163 HydrophobicContact CE1-CB 4Å; Y1113-L1163 HydrophobicContact CE1-CD1 4.13Å | ||
| 1114 | N | 90 | Very high | 86.3 | Confident | 117 Ų | 117 | 51.8 Ų | 51.8 | 63% | 0.626 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -83 | -45.4 | -172.3 | -69.1 | -21.1 | 0 | 0 | 0 | 111.6 | E404 | E404-N1114 PolarHBondContact OE1-N 3.27Š|
| 1115 | H | 91.4 | Very high | 86.8 | Confident | 79 Ų | 79 | 55.4 Ų | 55.4 | 37% | 0.366 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -126.5 | -23.4 | -179.8 | -49.3 | 89.2 | 0 | 0 | 0 | 113.4 | L401 E404 | L401-H1115 HydrophobicContact CB-CB 4.26Å; L401-H1115 WeakPolarHBondContact CD1-O 2.89Å; L401-H1115 WeakPolarHBondContact CG-O 3.26Å; E404-H1115 PolarHBondContact OE1-N 2.77Å; E404-H1115 VanDerWaalsContact OE2-CB 3.27Å; E404-H1115 WeakPolarHBondContact OE2-CB 3.43Å; E404-H1115 IonicContact OE2-CE1 3.77Å; E404-H1115 IonicContact OE2-CG 3.74Å; E404-H1115 PolarHBondContact OE2-N 2.96Å; E404-H1115 IonicContact OE2-ND1 2.97Å; E404-H1115 PolarHBondContact OE2-ND1 3.17Å |
| 1116 | S | 92.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -106.8 | 26.8 | -178 | 65.9 | 0 | 0 | 0 | 0 | 113.3 | E404 N408 F1164 | E404-S1116 WeakPolarHBondContact CG-OG 3.31Å; E404-S1116 PolarHBondContact OE1-OG 3.19Å; N408-S1116 PolarHBondContact ND2-OG 3.29Å; S1116-F1164 WeakPolarHBondContact O-CB 3.35Å; S1116-F1164 PolarHBondContact O-N 2.94Å |
| 1117 | G | 93.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172 | 178.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y1113 V1162 | Y1113-G1117 CarbonylContact C-O 3.59Å; Y1113-G1117 CarbonylContact O-C 3.59Å; G1117-V1162 CarbonylContact C-O 3.54Å; G1117-V1162 WeakPolarHBondContact CA-O 3.25Å |
| 1118 | F | 94.3 | Very high | 87 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 162.7 | 176.3 | 59.3 | -93.2 | 0 | 0 | 0 | 112.2 | V353 M354 F357 L375 I1120 V1162 F1164 | V353-F1118 HydrophobicContact CG1-CE1 3.78Å; V353-F1118 HydrophobicContact CG1-CZ 4.46Å; M354-F1118 HydrophobicContact SD-CB 3.97Å; M354-F1118 HydrophobicContact SD-CD1 4.15Å; F357-F1118 HydrophobicContact CB-CD1 4.25Å; F357-F1118 HydrophobicContact CB-CG 4.23Å; F357-F1118 HydrophobicContact CD1-CB 3.54Å; F357-F1118 HydrophobicContact CD1-CG 4.12Å; F357-F1118 HydrophobicContact CD2-CB 3.85Å; F357-F1118 HydrophobicContact CD2-CD1 4.44Å; F357-F1118 AromaticContact CD2-CD2 3.45Å; F357-F1118 HydrophobicContact CD2-CD2 3.45Å; F357-F1118 VanDerWaalsContact CD2-CD2 3.45Å; F357-F1118 HydrophobicContact CD2-CE2 4.08Å; F357-F1118 AromaticContact CD2-CG 3.66Å; F357-F1118 HydrophobicContact CD2-CG 3.66Å; F357-F1118 HydrophobicContact CE1-CB 3.54Å; F357-F1118 HydrophobicContact CE1-CG 4.42Å; F357-F1118 HydrophobicContact CE2-CB 3.84Å; F357-F1118 AromaticContact CE2-CD2 3.62Å; F357-F1118 HydrophobicContact CE2-CD2 3.62Å; F357-F1118 AromaticContact CE2-CG 3.99Å; F357-F1118 HydrophobicContact CE2-CG 3.99Å; F357-F1118 HydrophobicContact CG-CB 3.69Å; F357-F1118 HydrophobicContact CG-CD1 4.23Å; F357-F1118 HydrophobicContact CG-CD2 4.02Å; F357-F1118 AromaticContact CG-CG 3.73Å; F357-F1118 HydrophobicContact CG-CG 3.73Å; F357-F1118 HydrophobicContact CZ-CB 3.69Å; F357-F1118 HydrophobicContact CZ-CD2 4.32Å; F357-F1118 HydrophobicContact CZ-CG 4.35Å; L375-F1118 HydrophobicContact CD2-CE2 4.2Å; L375-F1118 HydrophobicContact CD2-CZ 4.09Å; L375-F1118 HydrophobicContact CG-CE2 4.4Å; F1118-I1120 HydrophobicContact CD2-CD1 4.44Å; F1118-I1120 HydrophobicContact CD2-CG1 4.17Å; F1118-I1120 HydrophobicContact CE2-CD1 3.97Å; F1118-I1120 HydrophobicContact CE2-CG1 4.21Å; F1118-V1162 HydrophobicContact CD1-CB 4.25Å; F1118-V1162 HydrophobicContact CD2-CB 4.42Å; F1118-V1162 HydrophobicContact CD2-CG2 4.46Å; F1118-V1162 HydrophobicContact CE1-CB 3.84Å; F1118-V1162 HydrophobicContact CE1-CG1 4.05Å; F1118-V1162 HydrophobicContact CE1-CG2 4.25Å; F1118-V1162 HydrophobicContact CE2-CB 4.04Å; F1118-V1162 HydrophobicContact CE2-CG2 3.74Å; F1118-V1162 HydrophobicContact CZ-CB 3.74Å; F1118-V1162 HydrophobicContact CZ-CG1 4.19Å; F1118-V1162 HydrophobicContact CZ-CG2 3.62Å; F1118-V1162 PolarHBondContact N-O 3.32Å; F1118-V1162 PolarHBondContact O-N 2.85Å; F1118-F1164 HydrophobicContact CD1-CZ 4.09Å; F1118-F1164 HydrophobicContact CE1-CE1 4.26Å; F1118-F1164 AromaticContact CE1-CZ 3.9Å; F1118-F1164 HydrophobicContact CE1-CZ 3.9Å |
| 1119 | I | 93.6 | Very high | 87.5 | Confident | 42 Ų | 42 | 53.1 Ų | 53.1 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.4 | 179.4 | -53.5 | 177.9 | 0 | 0 | 0 | 109.7 | Y1113 H1121 T1159 V1160 K1161 | Y1113-I1119 HydrophobicContact CD1-CG1 4.17Å; Y1113-I1119 HydrophobicContact CD2-CD1 4.03Å; Y1113-I1119 HydrophobicContact CD2-CG1 4.48Å; Y1113-I1119 HydrophobicContact CG-CD1 4.03Å; Y1113-I1119 HydrophobicContact CG-CG1 4Å; I1119-H1121 VanDerWaalsContact CG2-CE1 3.48Å; I1119-H1121 WeakPolarHBondContact CG2-CE1 3.43Å; I1119-T1159 HydrophobicContact CG2-CG2 3.88Å; I1119-V1160 CarbonylContact C-O 3.5Å; I1119-V1160 WeakPolarHBondContact CA-O 3.44Å; I1119-K1161 HydrophobicContact CD1-CG 4.43Å; I1119-K1161 HydrophobicContact CG1-CB 4.45Å; I1119-K1161 HydrophobicContact CG1-CG 4.09Å; I1119-K1161 HydrophobicContact CG2-CG 4.05Å |
| 1120 | I | 91.1 | Very high | 88 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 12% | 0.118 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 111.8 | 169.7 | -56.9 | 168.1 | 0 | 0 | 0 | 106.9 | F357 N372 L375 F1118 T1159 V1160 | F357-I1120 HydrophobicContact CE2-CG1 4.13Å; N372-I1120 HydrophobicContact CB-CD1 3.62Å; N372-I1120 VanDerWaalsContact CG-CD1 3.44Å; L375-I1120 HydrophobicContact CD1-CD1 3.6Å; L375-I1120 HydrophobicContact CG-CD1 3.78Å; F1118-I1120 HydrophobicContact CD2-CD1 4.44Å; F1118-I1120 HydrophobicContact CD2-CG1 4.17Å; F1118-I1120 HydrophobicContact CE2-CD1 3.97Å; F1118-I1120 HydrophobicContact CE2-CG1 4.21Å; I1120-T1159 CarbonylContact O-C 3.6Å; I1120-T1159 VanDerWaalsContact O-CA 3.27Å; I1120-T1159 WeakPolarHBondContact O-CA 3.45Å; I1120-V1160 HydrophobicContact CB-CB 4.29Å; I1120-V1160 HydrophobicContact CD1-CB 4.5Å; I1120-V1160 PolarHBondContact N-O 3.29Å; I1120-V1160 PolarHBondContact O-N 3.08Å |
| 1121 | H | 87.8 | Confident | 88.5 | Confident | 134 Ų | 134 | 45.5 Ų | 45.5 | 62% | 0.62 | 23% | 0.23 | S | C | * | . | trans | -82.1 | 134.7 | -177.3 | -68.4 | -69.1 | 0 | 0 | 0 | 112.2 | I1119 | I1119-H1121 VanDerWaalsContact CG2-CE1 3.48Å; I1119-H1121 WeakPolarHBondContact CG2-CE1 3.43Å | ||
| 1122 | G | 84.1 | Confident | 88.7 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 19% | 0.186 | 23% | 0.225 | C | C | . | . | trans | -76 | 177.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1124 C1158 T1159 | G1122-K1124 PolarHBondContact O-N 3.42Å; G1122-C1158 WeakPolarHBondContact CA-O 3.24Å; G1122-C1158 PolarHBondContact N-O 2.68Å; G1122-T1159 PolarHBondContact N-OG1 3.19Å | ||
| 1123 | N | 81.6 | Confident | 88.8 | Confident | 75 Ų | 75 | 43.1 Ų | 43.1 | 40% | 0.401 | 21% | 0.214 | S | C | . | . | trans | -68.2 | 115.8 | 178.8 | -178.9 | -1.9 | 0 | 0 | 0 | 110.6 | N1125 E1126 N1128 | N1123-N1125 PolarHBondContact O-N 2.67Å; N1123-N1125 PolarHBondContact OD1-N 3.41Å; N1123-E1126 HydrophobicContact CB-CB 4.33Å; N1123-E1126 VanDerWaalsContact ND2-CD 3.31Å; N1123-E1126 PolarHBondContact ND2-OE1 3.22Å; N1123-E1126 PolarHBondContact O-N 2.99Å; N1123-N1128 PolarHBondContact N-ND2 3.49Å; N1123-N1128 PolarHBondContact N-OD1 3.48Å; N1123-N1128 PolarHBondContact O-ND2 2.83Å | ||
| 1124 | K | 76.1 | Confident | 88.9 | Confident | 155 Ų | 155 | 41.1 Ų | 41.1 | 67% | 0.674 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.3 | -175.2 | -64.8 | -177.8 | -179.5 | 178 | 0 | 114.4 | S463 G1122 E1126 | S463-K1124 PolarHBondContact N-O 3.44Å; G1122-K1124 PolarHBondContact O-N 3.42Å; K1124-E1126 VanDerWaalsContact C-N 3.34Å |
| 1125 | N | 74.8 | Confident | 89.2 | Confident | 130 Ų | 130 | 35.6 Ų | 35.6 | 70% | 0.695 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -12.4 | -177.8 | -63.6 | -17.6 | 0 | 0 | 0 | 113 | N1123 | N1123-N1125 PolarHBondContact O-N 2.67Å; N1123-N1125 PolarHBondContact OD1-N 3.41Å |
| 1126 | E | 77.6 | Confident | 89.3 | Confident | 49 Ų | 49 | 32 Ų | 32 | 23% | 0.229 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -110.4 | 152.4 | -177.7 | -73.3 | 167.5 | -153.7 | 0 | 0 | 110.9 | G462 N1123 K1124 N1128 | G462-E1126 CarbonylContact C-O 3.29Å; G462-E1126 WeakPolarHBondContact CA-O 3.4Å; N1123-E1126 HydrophobicContact CB-CB 4.33Å; N1123-E1126 VanDerWaalsContact ND2-CD 3.31Å; N1123-E1126 PolarHBondContact ND2-OE1 3.22Å; N1123-E1126 PolarHBondContact O-N 2.99Å; K1124-E1126 VanDerWaalsContact C-N 3.34Å; E1126-N1128 PolarHBondContact O-N 3.03Å; E1126-N1128 VanDerWaalsContact O-N 3.17Å; E1126-N1128 PolarHBondContact O-ND2 3.23Å |
| 1127 | P | 84.3 | Confident | 89.4 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | trans | -61.3 | 116.1 | 169.9 | 10.6 | -11 | 0 | 0 | 0 | 109.9 | I111 M452 H456 I465 | I111-P1127 HydrophobicContact CD1-CB 3.75Å; I111-P1127 HydrophobicContact CD1-CG 3.57Å; M452-P1127 HydrophobicContact CE-CB 4.03Å; H456-P1127 HydrophobicContact CB-CG 4.21Å; I465-P1127 HydrophobicContact CD1-CB 3.99Å | ||
| 1128 | N | 88.9 | Confident | 89.3 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.043 | 16% | 0.161 | C | C | . | . | trans | -109.9 | 134.8 | 178.1 | -66.1 | -62.2 | 0 | 0 | 0 | 111.7 | M452 S466 N1123 E1126 P1157 | M452-N1128 WeakPolarHBondContact CE-O 3.34Å; S466-N1128 WeakPolarHBondContact CB-O 3.25Å; N1123-N1128 PolarHBondContact N-ND2 3.49Å; N1123-N1128 PolarHBondContact N-OD1 3.48Å; N1123-N1128 PolarHBondContact O-ND2 2.83Å; E1126-N1128 PolarHBondContact O-N 3.03Å; E1126-N1128 VanDerWaalsContact O-N 3.17Å; E1126-N1128 PolarHBondContact O-ND2 3.23Å; N1128-P1157 CarbonylContact C-O 3.59Å; N1128-P1157 VanDerWaalsContact CA-O 3.29Å; N1128-P1157 WeakPolarHBondContact CA-O 3.5Å | ||
| 1129 | F | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 144.2 | 165.8 | -66 | -88.2 | 0 | 0 | 0 | 109.8 | I111 L427 I445 E448 M452 L1156 P1157 C1158 T1159 | I111-F1129 HydrophobicContact CG2-CE2 4.31Å; L427-F1129 HydrophobicContact CD1-CB 4.27Å; L427-F1129 HydrophobicContact CD1-CD1 3.99Å; L427-F1129 HydrophobicContact CD1-CG 4.46Å; I445-F1129 HydrophobicContact CG2-CE1 4.08Å; I445-F1129 HydrophobicContact CG2-CE2 4.4Å; I445-F1129 HydrophobicContact CG2-CZ 3.83Å; E448-F1129 HydrophobicContact CB-CE1 3.81Å; M452-F1129 HydrophobicContact CE-CD1 4.27Å; M452-F1129 HydrophobicContact CE-CD2 4.32Å; M452-F1129 HydrophobicContact CE-CE1 4.48Å; M452-F1129 HydrophobicContact CE-CG 4.19Å; M452-F1129 HydrophobicContact SD-CD1 3.5Å; M452-F1129 WeakPolarHBondContact SD-CD1 3.31Å; M452-F1129 HydrophobicContact SD-CD2 4.42Å; M452-F1129 HydrophobicContact SD-CE1 3.43Å; M452-F1129 WeakPolarHBondContact SD-CE1 3.46Å; M452-F1129 HydrophobicContact SD-CE2 4.35Å; M452-F1129 HydrophobicContact SD-CG 4.02Å; M452-F1129 HydrophobicContact SD-CZ 3.88Å; F1129-L1156 HydrophobicContact CD2-CB 4.33Å; F1129-L1156 HydrophobicContact CE2-CD2 4.44Å; F1129-P1157 WeakPolarHBondContact CD2-O 3.16Å; F1129-P1157 PolarHBondContact N-O 3.36Å; F1129-C1158 HydrophobicContact CB-CB 3.91Å; F1129-C1158 CarbonylContact O-C 3.59Å; F1129-C1158 WeakPolarHBondContact O-CA 3.18Å; F1129-C1158 WeakPolarHBondContact O-CB 3.3Å; F1129-T1159 PolarHBondContact O-N 3.5Å |
| 1130 | E | 93.7 | Very high | 89.1 | Confident | 24 Ų | 24 | 36.9 Ų | 36.9 | 11% | 0.112 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 112.3 | 168.9 | -179.2 | 165.8 | 141.3 | 0 | 0 | 109.4 | N428 I470 V1132 K1161 | N428-E1130 PolarHBondContact N-O 2.76Å; N428-E1130 PolarHBondContact OD1-N 3.1Å; I470-E1130 HydrophobicContact CD1-CB 4.27Å; I470-E1130 HydrophobicContact CD1-CG 4.42Å; E1130-V1132 HydrophobicContact CG-CG2 3.96Å; E1130-K1161 IonicContact OE1-NZ 3.67Å; E1130-K1161 PolarHBondContact OE1-NZ 3.37Å; E1130-K1161 IonicContact OE2-NZ 3.85Å; E1130-K1161 PolarHBondContact OE2-NZ 2.8Å |
| 1131 | L | 94.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.8 | 174.2 | -69.1 | 170.6 | 0 | 0 | 0 | 108.5 | L426 L427 L1152 C1158 T1159 V1160 K1161 | L426-L1131 WeakPolarHBondContact O-CA 2.89Å; L427-L1131 HydrophobicContact CB-CD2 4.38Å; L427-L1131 HydrophobicContact CD1-CD2 3.49Å; L427-L1131 VanDerWaalsContact CD1-CD2 3.49Å; L427-L1131 HydrophobicContact CD1-CG 4.4Å; L1131-L1152 HydrophobicContact CD1-CB 3.76Å; L1131-L1152 HydrophobicContact CD1-CD1 3.91Å; L1131-L1152 HydrophobicContact CD1-CG 4.48Å; L1131-L1152 HydrophobicContact CD2-CD1 4.03Å; L1131-C1158 HydrophobicContact CD1-CB 3.96Å; L1131-C1158 HydrophobicContact CG-CB 4.38Å; L1131-T1159 PolarHBondContact N-O 3.48Å; L1131-V1160 HydrophobicContact CB-CG2 4.38Å; L1131-V1160 HydrophobicContact CD1-CG2 4.18Å; L1131-V1160 CarbonylContact O-C 3.08Å; L1131-V1160 WeakPolarHBondContact O-CA 3.28Å; L1131-K1161 PolarHBondContact O-N 3.24Å |
| 1132 | V | 94.8 | Very high | 89.4 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.024 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 119.1 | 174.9 | -169.7 | 0 | 0 | 0 | 0 | 109.5 | L425 L426 L1108 E1130 K1161 | L425-V1132 CarbonylContact C-O 3.53Å; L426-V1132 HydrophobicContact CB-CB 4.01Å; L426-V1132 HydrophobicContact CB-CG2 4.5Å; L426-V1132 HydrophobicContact CD1-CB 4.16Å; L426-V1132 HydrophobicContact CD1-CG1 4.49Å; L426-V1132 HydrophobicContact CG-CB 4.32Å; L426-V1132 PolarHBondContact N-O 3.28Å; L426-V1132 PolarHBondContact O-N 3.28Å; L1108-V1132 HydrophobicContact CD1-CG1 3.8Å; E1130-V1132 HydrophobicContact CG-CG2 3.96Å; V1132-K1161 CarbonylContact C-O 3.58Å; V1132-K1161 VanDerWaalsContact CA-O 3.32Å; V1132-K1161 WeakPolarHBondContact CA-O 3.47Å; V1132-K1161 HydrophobicContact CG1-CB 4.23Å; V1132-K1161 HydrophobicContact CG2-CB 4.24Å; V1132-K1161 HydrophobicContact CG2-CD 4.15Å |
| 1133 | A | 95.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 117.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | L424 L1149 K1161 V1162 L1163 | L424-A1133 WeakPolarHBondContact O-CA 3.27Å; A1133-L1149 HydrophobicContact CB-CD1 3.69Å; A1133-L1149 HydrophobicContact CB-CD2 4.25Å; A1133-K1161 PolarHBondContact N-O 2.92Å; A1133-V1162 CarbonylContact O-C 3.54Å; A1133-V1162 WeakPolarHBondContact O-CA 3.09Å; A1133-L1163 PolarHBondContact O-N 2.85Å |
| 1134 | I | 95.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117.3 | 167.5 | -56.8 | 175.5 | 0 | 0 | 0 | 105.6 | L412 I418 S423 L424 L1108 L1163 N1165 | L412-I1134 HydrophobicContact CD1-CG2 4.21Å; L412-I1134 HydrophobicContact CD2-CD1 3.89Å; I418-I1134 HydrophobicContact CD1-CD1 3.9Å; S423-I1134 CarbonylContact C-O 3.38Å; S423-I1134 WeakPolarHBondContact CA-O 3.44Å; L424-I1134 HydrophobicContact CB-CB 4.34Å; L424-I1134 HydrophobicContact CD1-CD1 4.22Å; L424-I1134 PolarHBondContact N-O 3.16Å; L424-I1134 PolarHBondContact O-N 3.42Å; L1108-I1134 HydrophobicContact CD1-CD1 4.11Å; I1134-L1163 CarbonylContact C-O 3.56Å; I1134-L1163 WeakPolarHBondContact CA-O 3.2Å; I1134-L1163 HydrophobicContact CG1-CB 4.33Å; I1134-L1163 HydrophobicContact CG1-CD2 4.27Å; I1134-N1165 HydrophobicContact CG2-CB 3.61Å |
| 1135 | I | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 144 | -166.4 | -163.2 | 161.1 | 0 | 0 | 0 | 112.8 | L378 A1142 L1145 V1162 L1163 F1164 N1165 | L378-I1135 HydrophobicContact CD1-CG2 4.47Å; L378-I1135 HydrophobicContact CD2-CG2 4.47Å; I1135-A1142 VanDerWaalsContact CD1-CA 3.41Å; I1135-A1142 HydrophobicContact CD1-CB 3.49Å; I1135-A1142 VanDerWaalsContact CD1-CB 3.49Å; I1135-A1142 HydrophobicContact CG1-CB 3.67Å; I1135-L1145 HydrophobicContact CD1-CB 3.88Å; I1135-L1145 HydrophobicContact CD1-CD1 4.06Å; I1135-V1162 HydrophobicContact CG2-CG1 3.86Å; I1135-L1163 PolarHBondContact N-O 3.34Å; I1135-F1164 HydrophobicContact CG2-CD1 4.43Å; I1135-F1164 WeakPolarHBondContact O-CA 3.43Å; I1135-N1165 PolarHBondContact O-N 2.83Å |
| 1136 | D | 94.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 15.3 Ų | 15.3 | 3% | 0.027 | 7% | 0.07 | C | C | . | . | trans | -94.6 | 115.9 | 160.3 | -176.9 | -10.9 | 0 | 0 | 0 | 108.5 | S346 A1138 S1139 A1142 S1167 | S346-D1136 WeakPolarHBondContact CB-OD1 3.37Å; S346-D1136 WeakPolarHBondContact CB-OD2 3.49Å; S346-D1136 PolarHBondContact OG-OD1 3.17Å; S346-D1136 PolarHBondContact OG-OD2 3.17Å; D1136-A1138 PolarHBondContact O-N 3.41Å; D1136-A1138 PolarHBondContact OD1-N 3.02Å; D1136-S1139 WeakPolarHBondContact O-CB 3.46Å; D1136-S1139 PolarHBondContact O-N 2.88Å; D1136-S1139 PolarHBondContact O-OG 3.06Å; D1136-A1142 VanDerWaalsContact O-CB 3.3Å; D1136-A1142 WeakPolarHBondContact O-CB 3.48Å; D1136-S1167 PolarHBondContact OD2-N 3.29Å | ||
| 1137 | P | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -23.3 | 176.8 | -26.9 | 35.9 | 0 | 0 | 0 | 115 | A349 C350 V353 L378 S382 F1164 | A349-P1137 HydrophobicContact CB-CB 3.89Å; C350-P1137 VanDerWaalsContact SG-CD 3.54Å; V353-P1137 HydrophobicContact CG2-CB 4.28Å; V353-P1137 HydrophobicContact CG2-CG 4.29Å; L378-P1137 HydrophobicContact CD1-CB 3.71Å; L378-P1137 HydrophobicContact CD1-CG 3.85Å; S382-P1137 WeakPolarHBondContact CB-O 3.45Å; P1137-F1164 HydrophobicContact CG-CD1 4.02Å; P1137-F1164 HydrophobicContact CG-CE1 4.11Å |
| 1138 | A | 92 | Very high | 93.2 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.008 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 9.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | L385 D1136 P1174 V1175 | L385-A1138 HydrophobicContact CD2-CB 4.2Å; D1136-A1138 PolarHBondContact O-N 3.41Å; D1136-A1138 PolarHBondContact OD1-N 3.02Å; A1138-P1174 HydrophobicContact CB-CG 4.09Å; A1138-P1174 WeakPolarHBondContact O-CB 3.45Å; A1138-P1174 WeakPolarHBondContact O-CG 3.44Å; A1138-V1175 WeakPolarHBondContact O-CG2 3.35Å |
| 1139 | S | 92.2 | Very high | 93.5 | Very high | 18 Ų | 18 | 13.5 Ų | 13.5 | 13% | 0.126 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -91.8 | 160.4 | 179.1 | 67.4 | 0 | 0 | 0 | 0 | 113.6 | S423 D1136 D1141 A1142 | S423-S1139 PolarHBondContact OG-OG 3.26Å; D1136-S1139 WeakPolarHBondContact O-CB 3.46Å; D1136-S1139 PolarHBondContact O-N 2.88Å; D1136-S1139 PolarHBondContact O-OG 3.06Å; S1139-D1141 VanDerWaalsContact C-N 3.34Å; S1139-A1142 WeakPolarHBondContact O-CB 3.41Å; S1139-A1142 PolarHBondContact O-N 2.81Å; S1139-A1142 PolarHBondContact OG-N 3.19Å |
| 1140 | R | 90.6 | Very high | 93.4 | Very high | 126 Ų | 126 | 14 Ų | 14 | 48% | 0.475 | 6% | 0.064 | S | C | . | . | H | α-helix | trans | -63.6 | -39.7 | 173.3 | -164.1 | -177.8 | -170.7 | -165.3 | 3.7 | 111.8 | E265 A1142 Q1143 V1175 | E265-R1140 IonicContact OE1-NH2 3.99Å; E265-R1140 IonicContact OE2-CZ 3.7Å; E265-R1140 IonicContact OE2-NH2 3.94Å; E265-R1140 PolarHBondContact OE2-NH2 3.49Å; R1140-A1142 PolarHBondContact O-N 2.65Å; R1140-Q1143 VanDerWaalsContact O-CB 3.29Å; R1140-Q1143 WeakPolarHBondContact O-CB 3.1Å; R1140-Q1143 VanDerWaalsContact O-CG 3.31Å; R1140-Q1143 WeakPolarHBondContact O-CG 3.3Å; R1140-Q1143 PolarHBondContact O-N 2.89Å; R1140-V1175 HydrophobicContact CB-CG2 4.5Å |
| 1141 | D | 91.4 | Very high | 93.3 | Very high | 63 Ų | 63 | 13.1 Ų | 13.1 | 34% | 0.337 | 6% | 0.06 | S | C | . | . | H | α-helix | trans | -59.2 | -34.6 | 178.2 | -66 | -20.3 | 0 | 0 | 0 | 112.1 | P434 S1139 Q1143 R1144 L1145 | P434-D1141 HydrophobicContact CB-CB 3.81Å; S1139-D1141 VanDerWaalsContact C-N 3.34Å; D1141-Q1143 VanDerWaalsContact C-N 3.27Å; D1141-Q1143 PolarHBondContact O-N 2.76Å; D1141-R1144 PolarHBondContact O-N 2.88Å; D1141-L1145 WeakPolarHBondContact O-CB 3.45Å; D1141-L1145 PolarHBondContact O-N 2.76Å |
| 1142 | A | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63.8 | -29.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S382 I1135 D1136 S1139 R1140 R1144 S1146 | S382-A1142 PolarHBondContact OG-O 3.01Å; I1135-A1142 VanDerWaalsContact CD1-CA 3.41Å; I1135-A1142 HydrophobicContact CD1-CB 3.49Å; I1135-A1142 VanDerWaalsContact CD1-CB 3.49Å; I1135-A1142 HydrophobicContact CG1-CB 3.67Å; D1136-A1142 VanDerWaalsContact O-CB 3.3Å; D1136-A1142 WeakPolarHBondContact O-CB 3.48Å; S1139-A1142 WeakPolarHBondContact O-CB 3.41Å; S1139-A1142 PolarHBondContact O-N 2.81Å; S1139-A1142 PolarHBondContact OG-N 3.19Å; R1140-A1142 PolarHBondContact O-N 2.65Å; A1142-R1144 PolarHBondContact O-N 2.81Å; A1142-S1146 WeakPolarHBondContact O-CB 3.24Å; A1142-S1146 PolarHBondContact O-N 3.45Å; A1142-S1146 PolarHBondContact O-OG 3Å |
| 1143 | Q | 92.6 | Very high | 93 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.009 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.6 | -38.4 | 180 | -52.3 | -168.6 | -72.2 | 0 | 0 | 111.6 | S382 Q383 R1140 D1141 S1146 S1177 Y1179 | S382-Q1143 WeakPolarHBondContact O-CG 3.35Å; S382-Q1143 PolarHBondContact O-NE2 2.85Å; Q383-Q1143 HydrophobicContact CG-CB 4.41Å; Q383-Q1143 PolarHBondContact NE2-O 2.75Å; R1140-Q1143 VanDerWaalsContact O-CB 3.29Å; R1140-Q1143 WeakPolarHBondContact O-CB 3.1Å; R1140-Q1143 VanDerWaalsContact O-CG 3.31Å; R1140-Q1143 WeakPolarHBondContact O-CG 3.3Å; R1140-Q1143 PolarHBondContact O-N 2.89Å; D1141-Q1143 VanDerWaalsContact C-N 3.27Å; D1141-Q1143 PolarHBondContact O-N 2.76Å; Q1143-S1146 PolarHBondContact O-OG 2.98Å; Q1143-S1177 PolarHBondContact NE2-O 2.8Å; Q1143-Y1179 HydrophobicContact CB-CD1 3.43Å; Q1143-Y1179 VanDerWaalsContact CB-CD1 3.43Å; Q1143-Y1179 HydrophobicContact CB-CE1 4.01Å; Q1143-Y1179 HydrophobicContact CB-CG 3.78Å |
| 1144 | R | 92.7 | Very high | 92.5 | Very high | 17 Ų | 17 | 18.8 Ų | 18.8 | 6% | 0.064 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -85 | -52.2 | 178.6 | -174 | 175.8 | 177.8 | 118.8 | -2.7 | 111.9 | V436 D1141 A1142 S1146 H1147 I1148 Y1179 F1181 D1220 | V436-R1144 PolarHBondContact O-NH2 2.8Å; D1141-R1144 PolarHBondContact O-N 2.88Å; A1142-R1144 PolarHBondContact O-N 2.81Å; R1144-S1146 VanDerWaalsContact C-N 3.3Å; R1144-S1146 PolarHBondContact O-N 2.85Å; R1144-H1147 PolarHBondContact O-N 2.9Å; R1144-I1148 HydrophobicContact CG-CD1 3.9Å; R1144-I1148 PolarHBondContact O-N 2.91Å; R1144-Y1179 HydrophobicContact CB-CE1 4.2Å; R1144-F1181 HydrophobicContact CG-CD2 4.01Å; R1144-F1181 HydrophobicContact CG-CE2 4.18Å; R1144-F1181 HydrophobicContact CG-CG 4.32Å; R1144-F1181 VanDerWaalsContact CZ-CE2 3.48Å; R1144-D1220 IonicContact NH1-OD2 3.53Å; R1144-D1220 PolarHBondContact NH1-OD2 2.85Å |
| 1145 | L | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.3 | -36.3 | -175.4 | -75.5 | 179.9 | 0 | 0 | 0 | 112.9 | L425 P434 I1135 D1141 H1147 I1148 L1149 | L425-L1145 HydrophobicContact CB-CD2 4.16Å; L425-L1145 HydrophobicContact CD2-CD2 4.01Å; P434-L1145 HydrophobicContact CB-CD1 3.96Å; P434-L1145 HydrophobicContact CB-CG 4.38Å; I1135-L1145 HydrophobicContact CD1-CB 3.88Å; I1135-L1145 HydrophobicContact CD1-CD1 4.06Å; D1141-L1145 WeakPolarHBondContact O-CB 3.45Å; D1141-L1145 PolarHBondContact O-N 2.76Å; L1145-H1147 VanDerWaalsContact C-N 3.31Å; L1145-H1147 PolarHBondContact O-N 2.75Å; L1145-I1148 PolarHBondContact O-N 3.48Å; L1145-L1149 WeakPolarHBondContact O-CB 3.47Å; L1145-L1149 VanDerWaalsContact O-CG 3.24Å; L1145-L1149 WeakPolarHBondContact O-CG 3.49Å; L1145-L1149 PolarHBondContact O-N 3.4Å |
| 1146 | S | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.7 | -42.2 | 179.6 | 59.2 | 0 | 0 | 0 | 0 | 113 | R379 S382 A1142 Q1143 R1144 I1150 | R379-S1146 WeakPolarHBondContact CA-OG 3.36Å; S382-S1146 PolarHBondContact OG-OG 3.03Å; A1142-S1146 WeakPolarHBondContact O-CB 3.24Å; A1142-S1146 PolarHBondContact O-N 3.45Å; A1142-S1146 PolarHBondContact O-OG 3Å; Q1143-S1146 PolarHBondContact O-OG 2.98Å; R1144-S1146 VanDerWaalsContact C-N 3.3Å; R1144-S1146 PolarHBondContact O-N 2.85Å; S1146-I1150 WeakPolarHBondContact O-CG1 3.49Å; S1146-I1150 PolarHBondContact O-N 3.15Å |
| 1147 | H | 92.8 | Very high | 91.7 | Very high | 21 Ų | 21 | 19.3 Ų | 19.3 | 10% | 0.097 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -74.1 | -41.2 | 177.7 | -165 | 83.9 | 0 | 0 | 0 | 112 | R379 R1144 L1145 L1149 I1150 V1151 F1181 W1183 | R379-H1147 PolarHBondContact NH1-ND1 2.88Å; R1144-H1147 PolarHBondContact O-N 2.9Å; L1145-H1147 VanDerWaalsContact C-N 3.31Å; L1145-H1147 PolarHBondContact O-N 2.75Å; H1147-L1149 VanDerWaalsContact C-N 3.3Å; H1147-L1149 PolarHBondContact O-N 2.89Å; H1147-I1150 PolarHBondContact O-N 3.31Å; H1147-I1150 VanDerWaalsContact O-N 3.15Å; H1147-V1151 WeakPolarHBondContact O-CG2 3.25Å; H1147-V1151 PolarHBondContact O-N 3.34Å; H1147-F1181 HydrophobicContact CB-CB 4.05Å; H1147-F1181 HydrophobicContact CB-CD1 4.49Å; H1147-F1181 AromaticContact CD2-CD1 3.99Å; H1147-F1181 PolarHBondContact CD2-O 3.44Å; H1147-F1181 PolarHBondContact NE2-O 3.47Å; H1147-W1183 PolarHBondContact NE2-O 2.99Å |
| 1148 | I | 93.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.7 | -46.4 | 174.5 | -70.7 | 176.2 | 0 | 0 | 0 | 110.6 | L441 R1144 L1145 I1150 V1151 L1152 F1181 W1183 | L441-I1148 HydrophobicContact CD2-CG2 4.25Å; R1144-I1148 HydrophobicContact CG-CD1 3.9Å; R1144-I1148 PolarHBondContact O-N 2.91Å; L1145-I1148 PolarHBondContact O-N 3.48Å; I1148-I1150 VanDerWaalsContact C-N 3.32Å; I1148-I1150 PolarHBondContact O-N 2.76Å; I1148-V1151 PolarHBondContact O-N 2.71Å; I1148-L1152 HydrophobicContact CG2-CD1 3.78Å; I1148-L1152 HydrophobicContact CG2-CG 4.29Å; I1148-L1152 WeakPolarHBondContact O-CB 3.16Å; I1148-L1152 VanDerWaalsContact O-CG 3.27Å; I1148-L1152 WeakPolarHBondContact O-CG 3.32Å; I1148-L1152 PolarHBondContact O-N 3.15Å; I1148-F1181 HydrophobicContact CD1-CE1 4.12Å; I1148-F1181 HydrophobicContact CD1-CZ 4.43Å; I1148-F1181 HydrophobicContact CG1-CD1 3.98Å; I1148-F1181 HydrophobicContact CG1-CE1 3.71Å; I1148-F1181 HydrophobicContact CG1-CZ 4.5Å; I1148-W1183 HydrophobicContact CB-CZ3 4.36Å; I1148-W1183 HydrophobicContact CG1-CE3 4.21Å; I1148-W1183 HydrophobicContact CG1-CZ3 4.3Å; I1148-W1183 HydrophobicContact CG2-CZ3 4.03Å |
| 1149 | L | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.6 | -39 | 178.5 | -70.3 | 171.6 | 0 | 0 | 0 | 112.4 | L375 L425 A1133 L1145 H1147 Q1153 V1160 | L375-L1149 HydrophobicContact CD2-CB 4.23Å; L375-L1149 HydrophobicContact CD2-CD1 4.32Å; L425-L1149 HydrophobicContact CD1-CD2 4.11Å; A1133-L1149 HydrophobicContact CB-CD1 3.69Å; A1133-L1149 HydrophobicContact CB-CD2 4.25Å; L1145-L1149 WeakPolarHBondContact O-CB 3.47Å; L1145-L1149 VanDerWaalsContact O-CG 3.24Å; L1145-L1149 WeakPolarHBondContact O-CG 3.49Å; L1145-L1149 PolarHBondContact O-N 3.4Å; H1147-L1149 VanDerWaalsContact C-N 3.3Å; H1147-L1149 PolarHBondContact O-N 2.89Å; L1149-Q1153 WeakPolarHBondContact O-CB 3.28Å; L1149-Q1153 PolarHBondContact O-N 3.06Å; L1149-V1160 HydrophobicContact CD2-CG1 4.19Å |
| 1150 | I | 91.6 | Very high | 91.7 | Very high | 10 Ų | 10 | 19.9 Ų | 19.9 | 5% | 0.051 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.9 | -47.5 | 176 | -69.9 | 165.4 | 0 | 0 | 0 | 110.5 | I371 L375 R379 S1146 H1147 I1148 L1152 Q1153 H1154 | I371-I1150 HydrophobicContact CG2-CG2 4.32Å; L375-I1150 HydrophobicContact CB-CD1 4.39Å; L375-I1150 HydrophobicContact CB-CG1 3.82Å; L375-I1150 HydrophobicContact CD1-CG1 4.43Å; R379-I1150 HydrophobicContact CB-CD1 3.92Å; R379-I1150 HydrophobicContact CG-CD1 4.4Å; S1146-I1150 WeakPolarHBondContact O-CG1 3.49Å; S1146-I1150 PolarHBondContact O-N 3.15Å; H1147-I1150 PolarHBondContact O-N 3.31Å; H1147-I1150 VanDerWaalsContact O-N 3.15Å; I1148-I1150 VanDerWaalsContact C-N 3.32Å; I1148-I1150 PolarHBondContact O-N 2.76Å; I1150-L1152 PolarHBondContact O-N 3.5Å; I1150-Q1153 PolarHBondContact O-N 3.42Å; I1150-H1154 WeakPolarHBondContact O-CB 3.47Å; I1150-H1154 PolarHBondContact O-N 2.67Å |
| 1151 | V | 91.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 15.7 Ų | 15.7 | 3% | 0.03 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | -179.9 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | L118 H1147 I1148 H1154 S1155 W1183 P1185 | L118-V1151 HydrophobicContact CD1-CG1 3.84Å; H1147-V1151 WeakPolarHBondContact O-CG2 3.25Å; H1147-V1151 PolarHBondContact O-N 3.34Å; I1148-V1151 PolarHBondContact O-N 2.71Å; V1151-H1154 PolarHBondContact O-N 3.39Å; V1151-S1155 WeakPolarHBondContact O-CB 3.31Å; V1151-S1155 PolarHBondContact O-N 2.85Å; V1151-S1155 PolarHBondContact O-OG 3.3Å; V1151-W1183 HydrophobicContact CB-CD2 4.22Å; V1151-W1183 HydrophobicContact CB-CE3 3.73Å; V1151-W1183 HydrophobicContact CB-CZ3 4.03Å; V1151-W1183 HydrophobicContact CG1-CD2 3.69Å; V1151-W1183 HydrophobicContact CG1-CE3 3.64Å; V1151-W1183 HydrophobicContact CG1-CG 4.25Å; V1151-W1183 HydrophobicContact CG1-CH2 4.22Å; V1151-W1183 HydrophobicContact CG1-CZ2 4.26Å; V1151-W1183 HydrophobicContact CG1-CZ3 3.89Å; V1151-W1183 HydrophobicContact CG2-CB 4.43Å; V1151-W1183 HydrophobicContact CG2-CD2 4.41Å; V1151-W1183 HydrophobicContact CG2-CE3 4.11Å; V1151-W1183 VanDerWaalsContact CG2-O 3.23Å; V1151-W1183 WeakPolarHBondContact CG2-O 3.44Å; V1151-P1185 HydrophobicContact CG1-CB 4.37Å |
| 1152 | L | 92.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.5 | -41.7 | 177.8 | -67 | 174.4 | 0 | 0 | 0 | 112.1 | L441 I445 L1131 I1148 I1150 H1154 S1155 L1156 W1183 | L441-L1152 HydrophobicContact CD2-CD1 4.24Å; I445-L1152 HydrophobicContact CD1-CD2 3.71Å; L1131-L1152 HydrophobicContact CD1-CB 3.76Å; L1131-L1152 HydrophobicContact CD1-CD1 3.91Å; L1131-L1152 HydrophobicContact CD1-CG 4.48Å; L1131-L1152 HydrophobicContact CD2-CD1 4.03Å; I1148-L1152 HydrophobicContact CG2-CD1 3.78Å; I1148-L1152 HydrophobicContact CG2-CG 4.29Å; I1148-L1152 WeakPolarHBondContact O-CB 3.16Å; I1148-L1152 VanDerWaalsContact O-CG 3.27Å; I1148-L1152 WeakPolarHBondContact O-CG 3.32Å; I1148-L1152 PolarHBondContact O-N 3.15Å; I1150-L1152 PolarHBondContact O-N 3.5Å; L1152-H1154 VanDerWaalsContact C-N 3.28Å; L1152-H1154 PolarHBondContact O-N 2.72Å; L1152-S1155 PolarHBondContact O-N 3.49Å; L1152-L1156 HydrophobicContact CD2-CD1 3.68Å; L1152-L1156 WeakPolarHBondContact O-CB 3.38Å; L1152-L1156 PolarHBondContact O-N 3.04Å; L1152-W1183 HydrophobicContact CD2-CH2 3.71Å; L1152-W1183 HydrophobicContact CD2-CZ3 4.17Å; L1152-W1183 HydrophobicContact CG-CH2 4.22Å; L1152-W1183 HydrophobicContact CG-CZ3 4.16Å |
| 1153 | Q | 90.8 | Very high | 92.2 | Very high | 44 Ų | 44 | 12.7 Ų | 12.7 | 21% | 0.206 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.4 | -34.7 | 177.8 | -178.5 | -91.6 | -32.1 | 0 | 0 | 112.6 | L375 L1149 I1150 V1160 | L375-Q1153 HydrophobicContact CD1-CB 4.3Å; L375-Q1153 HydrophobicContact CD1-CG 4.35Å; L1149-Q1153 WeakPolarHBondContact O-CB 3.28Å; L1149-Q1153 PolarHBondContact O-N 3.06Å; I1150-Q1153 PolarHBondContact O-N 3.42Å; Q1153-V1160 HydrophobicContact CB-CG2 4.08Å; Q1153-V1160 HydrophobicContact CG-CG2 4.23Å |
| 1154 | H | 85.2 | Confident | 92.4 | Very high | 80 Ų | 80 | 12.7 Ų | 12.7 | 37% | 0.37 | 6% | 0.062 | S | C | . | . | H | α-helix | trans | -75.5 | -43.8 | 174.4 | -173.7 | 77 | 0 | 0 | 0 | 111.9 | I1150 V1151 L1152 | I1150-H1154 WeakPolarHBondContact O-CB 3.47Å; I1150-H1154 PolarHBondContact O-N 2.67Å; V1151-H1154 PolarHBondContact O-N 3.39Å; L1152-H1154 VanDerWaalsContact C-N 3.28Å; L1152-H1154 PolarHBondContact O-N 2.72Å |
| 1155 | S | 87.9 | Confident | 92.5 | Very high | 9 Ų | 9 | 11.9 Ų | 11.9 | 6% | 0.063 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -91.2 | -13.1 | -166.1 | -49.7 | 0 | 0 | 0 | 0 | 114 | R114 V1151 L1152 P1185 | R114-S1155 WeakPolarHBondContact CB-O 3.42Å; R114-S1155 WeakPolarHBondContact CD-O 3.35Å; V1151-S1155 WeakPolarHBondContact O-CB 3.31Å; V1151-S1155 PolarHBondContact O-N 2.85Å; V1151-S1155 PolarHBondContact O-OG 3.3Å; L1152-S1155 PolarHBondContact O-N 3.49Å; S1155-P1185 WeakPolarHBondContact OG-CB 3.31Å |
| 1156 | L | 88.8 | Confident | 92.5 | Very high | 4 Ų | 4 | 12.1 Ų | 12.1 | 2% | 0.021 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -134 | 151.1 | -177.3 | -62.1 | 171.2 | 0 | 0 | 0 | 110.9 | L115 I445 F1129 L1152 C1158 | L115-L1156 HydrophobicContact CD1-CD2 4.32Å; I445-L1156 HydrophobicContact CD1-CD1 3.91Å; I445-L1156 HydrophobicContact CG2-CD1 3.83Å; I445-L1156 HydrophobicContact CG2-CD2 4.33Å; F1129-L1156 HydrophobicContact CD2-CB 4.33Å; F1129-L1156 HydrophobicContact CE2-CD2 4.44Å; L1152-L1156 HydrophobicContact CD2-CD1 3.68Å; L1152-L1156 WeakPolarHBondContact O-CB 3.38Å; L1152-L1156 PolarHBondContact O-N 3.04Å; L1156-C1158 PolarHBondContact O-N 3.18Å; L1156-C1158 VanDerWaalsContact O-N 3.15Å |
| 1157 | P | 88.8 | Confident | 92.3 | Very high | 6 Ų | 6 | 14 Ų | 14 | 4% | 0.039 | 7% | 0.074 | C | C | . | . | trans | -73 | 106.6 | 166.8 | 29.5 | -27 | 0 | 0 | 0 | 108 | I111 N1128 F1129 | I111-P1157 HydrophobicContact CD1-CG 4.2Å; I111-P1157 HydrophobicContact CG1-CG 3.48Å; I111-P1157 VanDerWaalsContact CG1-CG 3.48Å; N1128-P1157 CarbonylContact C-O 3.59Å; N1128-P1157 VanDerWaalsContact CA-O 3.29Å; N1128-P1157 WeakPolarHBondContact CA-O 3.5Å; F1129-P1157 WeakPolarHBondContact CD2-O 3.16Å; F1129-P1157 PolarHBondContact N-O 3.36Å | ||
| 1158 | C | 91.2 | Very high | 91.5 | Very high | 8 Ų | 8 | 16.8 Ų | 16.8 | 5% | 0.054 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 152.8 | -177.6 | 65.8 | 0 | 0 | 0 | 0 | 112.7 | G1122 F1129 L1131 L1156 | G1122-C1158 WeakPolarHBondContact CA-O 3.24Å; G1122-C1158 PolarHBondContact N-O 2.68Å; F1129-C1158 HydrophobicContact CB-CB 3.91Å; F1129-C1158 CarbonylContact O-C 3.59Å; F1129-C1158 WeakPolarHBondContact O-CA 3.18Å; F1129-C1158 WeakPolarHBondContact O-CB 3.3Å; L1131-C1158 HydrophobicContact CD1-CB 3.96Å; L1131-C1158 HydrophobicContact CG-CB 4.38Å; L1156-C1158 PolarHBondContact O-N 3.18Å; L1156-C1158 VanDerWaalsContact O-N 3.15Å |
| 1159 | T | 92.9 | Very high | 90.7 | Very high | 22 Ų | 22 | 20.5 Ų | 20.5 | 14% | 0.135 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 119.5 | 163 | -64.4 | 0 | 0 | 0 | 0 | 108.2 | I1119 I1120 G1122 F1129 L1131 K1161 | I1119-T1159 HydrophobicContact CG2-CG2 3.88Å; I1120-T1159 CarbonylContact O-C 3.6Å; I1120-T1159 VanDerWaalsContact O-CA 3.27Å; I1120-T1159 WeakPolarHBondContact O-CA 3.45Å; G1122-T1159 PolarHBondContact N-OG1 3.19Å; F1129-T1159 PolarHBondContact O-N 3.5Å; L1131-T1159 PolarHBondContact N-O 3.48Å; T1159-K1161 HydrophobicContact CG2-CG 4.4Å |
| 1160 | V | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 120.4 | 179.7 | -174.9 | 0 | 0 | 0 | 0 | 109.3 | I1119 I1120 L1131 L1149 Q1153 V1162 | I1119-V1160 CarbonylContact C-O 3.5Å; I1119-V1160 WeakPolarHBondContact CA-O 3.44Å; I1120-V1160 HydrophobicContact CB-CB 4.29Å; I1120-V1160 HydrophobicContact CD1-CB 4.5Å; I1120-V1160 PolarHBondContact N-O 3.29Å; I1120-V1160 PolarHBondContact O-N 3.08Å; L1131-V1160 HydrophobicContact CB-CG2 4.38Å; L1131-V1160 HydrophobicContact CD1-CG2 4.18Å; L1131-V1160 CarbonylContact O-C 3.08Å; L1131-V1160 WeakPolarHBondContact O-CA 3.28Å; L1149-V1160 HydrophobicContact CD2-CG1 4.19Å; Q1153-V1160 HydrophobicContact CB-CG2 4.08Å; Q1153-V1160 HydrophobicContact CG-CG2 4.23Å; V1160-V1162 HydrophobicContact CG1-CG2 4.11Å |
| 1161 | K | 95.4 | Very high | 89.5 | Confident | 39 Ų | 39 | 26.1 Ų | 26.1 | 17% | 0.17 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120.6 | 174.1 | -55.6 | -178.8 | -169.8 | 163.3 | 0 | 108.2 | Y1113 I1119 E1130 L1131 V1132 A1133 T1159 | Y1113-K1161 HydrophobicContact CE1-CB 3.89Å; I1119-K1161 HydrophobicContact CD1-CG 4.43Å; I1119-K1161 HydrophobicContact CG1-CB 4.45Å; I1119-K1161 HydrophobicContact CG1-CG 4.09Å; I1119-K1161 HydrophobicContact CG2-CG 4.05Å; E1130-K1161 IonicContact OE1-NZ 3.67Å; E1130-K1161 PolarHBondContact OE1-NZ 3.37Å; E1130-K1161 IonicContact OE2-NZ 3.85Å; E1130-K1161 PolarHBondContact OE2-NZ 2.8Å; L1131-K1161 PolarHBondContact O-N 3.24Å; V1132-K1161 CarbonylContact C-O 3.58Å; V1132-K1161 VanDerWaalsContact CA-O 3.32Å; V1132-K1161 WeakPolarHBondContact CA-O 3.47Å; V1132-K1161 HydrophobicContact CG1-CB 4.23Å; V1132-K1161 HydrophobicContact CG2-CB 4.24Å; V1132-K1161 HydrophobicContact CG2-CD 4.15Å; A1133-K1161 PolarHBondContact N-O 2.92Å; T1159-K1161 HydrophobicContact CG2-CG 4.4Å |
| 1162 | V | 96.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.6 | 175.4 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | L375 G1117 F1118 A1133 I1135 V1160 F1164 | L375-V1162 HydrophobicContact CD2-CG2 4Å; G1117-V1162 CarbonylContact C-O 3.54Å; G1117-V1162 WeakPolarHBondContact CA-O 3.25Å; F1118-V1162 HydrophobicContact CD1-CB 4.25Å; F1118-V1162 HydrophobicContact CD2-CB 4.42Å; F1118-V1162 HydrophobicContact CD2-CG2 4.46Å; F1118-V1162 HydrophobicContact CE1-CB 3.84Å; F1118-V1162 HydrophobicContact CE1-CG1 4.05Å; F1118-V1162 HydrophobicContact CE1-CG2 4.25Å; F1118-V1162 HydrophobicContact CE2-CB 4.04Å; F1118-V1162 HydrophobicContact CE2-CG2 3.74Å; F1118-V1162 HydrophobicContact CZ-CB 3.74Å; F1118-V1162 HydrophobicContact CZ-CG1 4.19Å; F1118-V1162 HydrophobicContact CZ-CG2 3.62Å; F1118-V1162 PolarHBondContact N-O 3.32Å; F1118-V1162 PolarHBondContact O-N 2.85Å; A1133-V1162 CarbonylContact O-C 3.54Å; A1133-V1162 WeakPolarHBondContact O-CA 3.09Å; I1135-V1162 HydrophobicContact CG2-CG1 3.86Å; V1160-V1162 HydrophobicContact CG1-CG2 4.11Å; V1162-F1164 HydrophobicContact CG1-CD1 4.15Å; V1162-F1164 HydrophobicContact CG1-CE1 3.76Å |
| 1163 | L | 96.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128 | 176.5 | -173 | 68.6 | 0 | 0 | 0 | 108.9 | N408 L412 V1111 S1112 Y1113 A1133 I1134 I1135 | N408-L1163 WeakPolarHBondContact ND2-CD1 3.22Å; L412-L1163 HydrophobicContact CD1-CD2 3.96Å; L412-L1163 HydrophobicContact CD2-CD2 4.24Å; L412-L1163 HydrophobicContact CG-CD2 4.48Å; V1111-L1163 HydrophobicContact CB-CD2 4.36Å; V1111-L1163 HydrophobicContact CG1-CD2 4.25Å; S1112-L1163 WeakPolarHBondContact O-CD1 3.34Å; Y1113-L1163 HydrophobicContact CD1-CD1 4.2Å; Y1113-L1163 HydrophobicContact CE1-CB 4Å; Y1113-L1163 HydrophobicContact CE1-CD1 4.13Å; A1133-L1163 PolarHBondContact O-N 2.85Å; I1134-L1163 CarbonylContact C-O 3.56Å; I1134-L1163 WeakPolarHBondContact CA-O 3.2Å; I1134-L1163 HydrophobicContact CG1-CB 4.33Å; I1134-L1163 HydrophobicContact CG1-CD2 4.27Å; I1135-L1163 PolarHBondContact N-O 3.34Å |
| 1164 | F | 95.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 129.1 | -179.6 | -58.5 | -39.5 | 0 | 0 | 0 | 111.9 | C350 V353 M354 S1116 F1118 I1135 P1137 V1162 P1166 | C350-F1164 HydrophobicContact CB-CB 4.38Å; C350-F1164 HydrophobicContact CB-CD2 3.68Å; C350-F1164 HydrophobicContact CB-CE2 4.09Å; C350-F1164 HydrophobicContact CB-CG 4.06Å; C350-F1164 WeakPolarHBondContact O-CE2 3.48Å; V353-F1164 HydrophobicContact CB-CE1 4.38Å; V353-F1164 HydrophobicContact CB-CZ 3.8Å; V353-F1164 HydrophobicContact CG1-CE1 3.98Å; V353-F1164 HydrophobicContact CG1-CZ 3.55Å; M354-F1164 HydrophobicContact CB-CE2 4.42Å; M354-F1164 HydrophobicContact CG-CE2 4.01Å; S1116-F1164 WeakPolarHBondContact O-CB 3.35Å; S1116-F1164 PolarHBondContact O-N 2.94Å; F1118-F1164 HydrophobicContact CD1-CZ 4.09Å; F1118-F1164 HydrophobicContact CE1-CE1 4.26Å; F1118-F1164 AromaticContact CE1-CZ 3.9Å; F1118-F1164 HydrophobicContact CE1-CZ 3.9Å; I1135-F1164 HydrophobicContact CG2-CD1 4.43Å; I1135-F1164 WeakPolarHBondContact O-CA 3.43Å; P1137-F1164 HydrophobicContact CG-CD1 4.02Å; P1137-F1164 HydrophobicContact CG-CE1 4.11Å; V1162-F1164 HydrophobicContact CG1-CD1 4.15Å; V1162-F1164 HydrophobicContact CG1-CE1 3.76Å; F1164-P1166 VanDerWaalsContact C-CD 3.43Å; F1164-P1166 WeakPolarHBondContact O-CD 3.46Å |
| 1165 | N | 95 | Very high | 88.3 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | trans | -124.8 | 63.4 | 176.6 | -172.9 | 30.1 | 0 | 0 | 0 | 111.8 | Q409 Q419 P420 G421 Q422 I1134 I1135 | Q409-N1165 WeakPolarHBondContact CG-OD1 2.98Å; Q409-N1165 PolarHBondContact NE2-OD1 3.34Å; Q419-N1165 PolarHBondContact O-ND2 2.76Å; P420-N1165 WeakPolarHBondContact CA-OD1 3.37Å; G421-N1165 VanDerWaalsContact CA-O 3.25Å; G421-N1165 WeakPolarHBondContact CA-O 3.15Å; G421-N1165 PolarHBondContact N-O 2.87Å; Q422-N1165 PolarHBondContact O-ND2 3.47Å; I1134-N1165 HydrophobicContact CG2-CB 3.61Å; I1135-N1165 PolarHBondContact O-N 2.83Å | ||
| 1166 | P | 93.5 | Very high | 88.2 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.032 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 143.4 | -171 | 28 | -35.1 | 0 | 0 | 0 | 113.1 | L347 S405 Q409 F1164 | L347-P1166 HydrophobicContact CD2-CB 4.29Å; L347-P1166 HydrophobicContact CD2-CG 3.67Å; L347-P1166 HydrophobicContact CG-CB 4.45Å; L347-P1166 HydrophobicContact CG-CG 4.32Å; S405-P1166 WeakPolarHBondContact OG-CD 3.4Å; S405-P1166 WeakPolarHBondContact OG-CG 3.29Å; Q409-P1166 PolarHBondContact NE2-O 3.01Å; F1164-P1166 VanDerWaalsContact C-CD 3.43Å; F1164-P1166 WeakPolarHBondContact O-CD 3.46Å |
| 1167 | S | 89.2 | Confident | 88.3 | Confident | 38 Ų | 38 | 33.7 Ų | 33.7 | 27% | 0.266 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -66.2 | 136.3 | 174.1 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | D1136 S1169 | D1136-S1167 PolarHBondContact OD2-N 3.29Å; S1167-S1169 PolarHBondContact O-N 3.3Å |
| 1168 | P | 76.4 | Confident | 88.6 | Confident | 81 Ų | 81 | 33.5 Ų | 33.5 | 53% | 0.526 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -75.7 | 123.9 | 175.8 | 29.4 | -32.2 | 0 | 0 | 0 | 110.3 | P420 | P420-P1168 HydrophobicContact CB-CG 4.17Š|
| 1169 | S | 77.2 | Confident | 88.9 | Confident | 78 Ų | 78 | 33.4 Ų | 33.4 | 55% | 0.545 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 48.8 | 89.5 | 170 | 54.5 | 0 | 0 | 0 | 0 | 115.8 | R343 S1167 | R343-S1169 VanDerWaalsContact O-CA 3.31Å; R343-S1169 WeakPolarHBondContact O-CA 3.39Å; S1167-S1169 PolarHBondContact O-N 3.3Å |
| 1170 | L | 80.5 | Confident | 89 | Confident | 29 Ų | 29 | 34 Ų | 34 | 15% | 0.152 | 19% | 0.194 | C | C | . | . | trans | -79.2 | 140.5 | 175.9 | -60.8 | 163 | 0 | 0 | 0 | 112 | F342 L345 S346 P1174 | F342-L1170 HydrophobicContact CB-CB 4.1Å; F342-L1170 WeakPolarHBondContact O-CB 3.33Å; L345-L1170 HydrophobicContact CB-CD1 4.23Å; S346-L1170 WeakPolarHBondContact OG-CD1 3.23Å; L1170-P1174 HydrophobicContact CD1-CB 4.49Å; L1170-P1174 HydrophobicContact CD1-CG 3.91Å; L1170-P1174 HydrophobicContact CD2-CB 4.35Å | ||
| 1171 | S | 79 | Confident | 89 | Confident | 98 Ų | 98 | 34.4 Ų | 34.4 | 69% | 0.685 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -94.4 | -27 | 175.1 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1172 | E | 79.5 | Confident | 88.9 | Confident | 105 Ų | 105 | 32.6 Ų | 32.6 | 49% | 0.491 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -137.2 | 169.2 | 177.3 | 64 | 172 | 173.1 | 0 | 0 | 111.1 | P1174 K1176 | E1172-P1174 WeakPolarHBondContact O-CD 3.41Å; E1172-K1176 IonicContact OE1-NZ 3.42Å; E1172-K1176 IonicContact OE2-NZ 2.92Å; E1172-K1176 PolarHBondContact OE2-NZ 3.47Å |
| 1173 | L | 82.8 | Confident | 88.8 | Confident | 29 Ų | 29 | 32.6 Ų | 32.6 | 15% | 0.152 | 19% | 0.188 | C | C | . | . | trans | -63.7 | 120.6 | 174.1 | -170.8 | 73.7 | 0 | 0 | 0 | 109.6 | F342 L345 L385 A389 V1175 K1176 | F342-L1173 HydrophobicContact CD1-CD1 4.42Å; F342-L1173 HydrophobicContact CE1-CB 4.09Å; F342-L1173 HydrophobicContact CE1-CD1 4.09Å; F342-L1173 HydrophobicContact CZ-CB 4.42Å; L345-L1173 HydrophobicContact CD2-CD1 3.85Å; L385-L1173 HydrophobicContact CD2-CD1 4.41Å; A389-L1173 HydrophobicContact CB-CD1 3.78Å; L1173-V1175 VanDerWaalsContact C-N 3.33Å; L1173-V1175 WeakPolarHBondContact CD2-O 3.34Å; L1173-V1175 WeakPolarHBondContact CG-O 3.42Å; L1173-V1175 PolarHBondContact O-N 3.01Å; L1173-K1176 HydrophobicContact CD2-CG 4.46Å; L1173-K1176 WeakPolarHBondContact O-CE 3.38Å | ||
| 1174 | P | 84.7 | Confident | 88.4 | Confident | 53 Ų | 53 | 35.1 Ų | 35.1 | 34% | 0.344 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -70.8 | -28.1 | -171.5 | 26.7 | -34.4 | 0 | 0 | 0 | 112.9 | L385 A1138 L1170 E1172 | L385-P1174 HydrophobicContact CD2-CG 3.95Å; A1138-P1174 HydrophobicContact CB-CG 4.09Å; A1138-P1174 WeakPolarHBondContact O-CB 3.45Å; A1138-P1174 WeakPolarHBondContact O-CG 3.44Å; L1170-P1174 HydrophobicContact CD1-CB 4.49Å; L1170-P1174 HydrophobicContact CD1-CG 3.91Å; L1170-P1174 HydrophobicContact CD2-CB 4.35Å; E1172-P1174 WeakPolarHBondContact O-CD 3.41Å |
| 1175 | V | 88.5 | Confident | 87.8 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | trans | -128.2 | 121.2 | -179.6 | 175.6 | 0 | 0 | 0 | 0 | 109.4 | L385 A1138 R1140 L1173 | L385-V1175 HydrophobicContact CB-CB 4.4Å; L385-V1175 HydrophobicContact CD2-CB 3.78Å; L385-V1175 HydrophobicContact CD2-CG2 4.23Å; A1138-V1175 WeakPolarHBondContact O-CG2 3.35Å; R1140-V1175 HydrophobicContact CB-CG2 4.5Å; L1173-V1175 VanDerWaalsContact C-N 3.33Å; L1173-V1175 WeakPolarHBondContact CD2-O 3.34Å; L1173-V1175 WeakPolarHBondContact CG-O 3.42Å; L1173-V1175 PolarHBondContact O-N 3.01Å | ||
| 1176 | K | 87 | Confident | 87.2 | Confident | 99 Ų | 99 | 37.3 Ų | 37.3 | 43% | 0.43 | 22% | 0.215 | S | C | . | . | trans | -112.5 | 25.4 | -175.6 | -60.8 | 174.6 | -175.1 | 167.8 | 0 | 112.6 | L268 E1172 L1173 | L268-K1176 WeakPolarHBondContact CB-O 3.31Å; L268-K1176 PolarHBondContact N-O 3.18Å; E1172-K1176 IonicContact OE1-NZ 3.42Å; E1172-K1176 IonicContact OE2-NZ 2.92Å; E1172-K1176 PolarHBondContact OE2-NZ 3.47Å; L1173-K1176 HydrophobicContact CD2-CG 4.46Å; L1173-K1176 WeakPolarHBondContact O-CE 3.38Å | ||
| 1177 | S | 90.9 | Very high | 86.4 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 149.8 | -177.6 | 56.1 | 0 | 0 | 0 | 0 | 111.5 | L266 Q1143 | L266-S1177 WeakPolarHBondContact O-CA 3.41Å; Q1143-S1177 PolarHBondContact NE2-O 2.8Å |
| 1178 | F | 94.7 | Very high | 85.7 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 144.7 | 160.2 | -57 | -91.9 | 0 | 0 | 0 | 108.4 | E265 L266 L268 Q383 N384 P386 A387 F1206 L1209 P1210 L1215 | E265-F1178 CarbonylContact C-O 3.57Å; E265-F1178 VanDerWaalsContact CA-O 3.28Å; E265-F1178 WeakPolarHBondContact CA-O 3.41Å; L266-F1178 HydrophobicContact CB-CB 4.26Å; L266-F1178 PolarHBondContact N-O 3.1Å; L266-F1178 PolarHBondContact O-N 3.28Å; L268-F1178 HydrophobicContact CD2-CE2 4.46Å; Q383-F1178 WeakPolarHBondContact O-CA 3.43Å; N384-F1178 HydrophobicContact CB-CD1 4.46Å; P386-F1178 HydrophobicContact CB-CE2 4.41Å; P386-F1178 HydrophobicContact CB-CZ 4.13Å; A387-F1178 HydrophobicContact CB-CE1 3.8Å; A387-F1178 HydrophobicContact CB-CZ 4.19Å; F1178-F1206 HydrophobicContact CB-CD1 4.16Å; F1178-F1206 HydrophobicContact CB-CE1 4.04Å; F1178-L1209 HydrophobicContact CB-CD2 4.27Å; F1178-L1209 HydrophobicContact CD1-CD2 3.97Å; F1178-L1209 HydrophobicContact CD2-CD2 4Å; F1178-L1209 HydrophobicContact CE1-CD2 4.3Å; F1178-L1209 HydrophobicContact CE2-CD2 4.35Å; F1178-L1209 HydrophobicContact CG-CD2 3.81Å; F1178-L1209 HydrophobicContact CZ-CD2 4.49Å; F1178-P1210 HydrophobicContact CE2-CG 3.87Å; F1178-P1210 VanDerWaalsContact CZ-CD 3.48Å; F1178-P1210 HydrophobicContact CZ-CG 3.79Å; F1178-L1215 HydrophobicContact CD2-CD2 4.26Å; F1178-L1215 HydrophobicContact CE2-CD2 4.21Å |
| 1179 | Y | 96.2 | Very high | 85.2 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 145 | -174.4 | -176.9 | -94.4 | 0 | 0 | 0 | 112.3 | G263 V264 E265 Q383 Q1143 R1144 F1181 D1220 | G263-Y1179 WeakPolarHBondContact CA-OH 3.01Å; V264-Y1179 CarbonylContact O-C 3.52Å; V264-Y1179 WeakPolarHBondContact O-CA 3.38Å; V264-Y1179 WeakPolarHBondContact O-CD2 3.08Å; E265-Y1179 HydrophobicContact CB-CD2 4.17Å; Q383-Y1179 VanDerWaalsContact CB-O 3.25Å; Q383-Y1179 WeakPolarHBondContact CB-O 3.39Å; Q383-Y1179 HydrophobicContact CG-CD1 4.3Å; Q383-Y1179 WeakPolarHBondContact CG-O 3.34Å; Q383-Y1179 PolarHBondContact O-N 2.75Å; Q383-Y1179 PolarHBondContact OE1-O 3.43Å; Q1143-Y1179 HydrophobicContact CB-CD1 3.43Å; Q1143-Y1179 VanDerWaalsContact CB-CD1 3.43Å; Q1143-Y1179 HydrophobicContact CB-CE1 4.01Å; Q1143-Y1179 HydrophobicContact CB-CG 3.78Å; R1144-Y1179 HydrophobicContact CB-CE1 4.2Å; Y1179-F1181 HydrophobicContact CE1-CB 3.85Å; Y1179-F1181 WeakPolarHBondContact OH-CD2 3.32Å; Y1179-D1220 HydrophobicContact CE2-CB 4.07Å; Y1179-D1220 PolarHBondContact OH-OD2 2.7Å |
| 1180 | R | 95.1 | Very high | 84.3 | Confident | 35 Ų | 35 | 39.9 Ų | 39.9 | 13% | 0.132 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 127.6 | 169.7 | -66.8 | -65.9 | -179.7 | -92.3 | 0.6 | 108.8 | G263 V264 N384 A1204 Y1205 F1206 | G263-R1180 CarbonylContact C-O 3.57Å; G263-R1180 WeakPolarHBondContact CA-O 3.29Å; V264-R1180 PolarHBondContact N-O 3.21Å; V264-R1180 PolarHBondContact O-N 3.17Å; N384-R1180 PolarHBondContact ND2-NH2 3.38Å; N384-R1180 VanDerWaalsContact OD1-CZ 3.32Å; N384-R1180 PolarHBondContact OD1-NH1 2.92Å; N384-R1180 PolarHBondContact OD1-NH2 3Å; R1180-A1204 HydrophobicContact CB-CB 3.88Å; R1180-Y1205 PolarHBondContact NE-O 3.15Å; R1180-F1206 HydrophobicContact CB-CE1 4.21Å; R1180-F1206 HydrophobicContact CB-CE2 4.27Å; R1180-F1206 HydrophobicContact CB-CZ 3.89Å; R1180-F1206 HydrophobicContact CG-CD1 3.78Å; R1180-F1206 HydrophobicContact CG-CD2 4.24Å; R1180-F1206 HydrophobicContact CG-CE1 3.54Å; R1180-F1206 HydrophobicContact CG-CE2 4.01Å; R1180-F1206 HydrophobicContact CG-CG 4.14Å; R1180-F1206 HydrophobicContact CG-CZ 3.65Å |
| 1181 | F | 95.3 | Very high | 83 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 131.7 | 170.1 | -167.7 | -114.6 | 0 | 0 | 0 | 109.7 | Y262 I438 R1144 H1147 I1148 Y1179 W1183 | Y262-F1181 WeakPolarHBondContact O-CD2 3.49Å; I438-F1181 HydrophobicContact CG2-CE1 3.83Å; I438-F1181 HydrophobicContact CG2-CZ 3.66Å; R1144-F1181 HydrophobicContact CG-CD2 4.01Å; R1144-F1181 HydrophobicContact CG-CE2 4.18Å; R1144-F1181 HydrophobicContact CG-CG 4.32Å; R1144-F1181 VanDerWaalsContact CZ-CE2 3.48Å; H1147-F1181 HydrophobicContact CB-CB 4.05Å; H1147-F1181 HydrophobicContact CB-CD1 4.49Å; H1147-F1181 AromaticContact CD2-CD1 3.99Å; H1147-F1181 PolarHBondContact CD2-O 3.44Å; H1147-F1181 PolarHBondContact NE2-O 3.47Å; I1148-F1181 HydrophobicContact CD1-CE1 4.12Å; I1148-F1181 HydrophobicContact CD1-CZ 4.43Å; I1148-F1181 HydrophobicContact CG1-CD1 3.98Å; I1148-F1181 HydrophobicContact CG1-CE1 3.71Å; I1148-F1181 HydrophobicContact CG1-CZ 4.5Å; Y1179-F1181 HydrophobicContact CE1-CB 3.85Å; Y1179-F1181 WeakPolarHBondContact OH-CD2 3.32Å; F1181-W1183 HydrophobicContact CD1-CB 4.06Å; F1181-W1183 HydrophobicContact CE1-CB 3.79Å; F1181-W1183 HydrophobicContact CE1-CE3 4.34Å; F1181-W1183 HydrophobicContact CE1-CG 4.49Å |
| 1182 | V | 94 | Very high | 81.4 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 104.2 | -177.3 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | G261 Y262 P1202 A1204 | G261-V1182 PolarHBondContact N-O 3.09Å; Y262-V1182 HydrophobicContact CD1-CB 4.2Å; Y262-V1182 HydrophobicContact CD2-CG2 4.33Å; Y262-V1182 HydrophobicContact CE1-CB 3.82Å; Y262-V1182 HydrophobicContact CE1-CG1 3.88Å; Y262-V1182 HydrophobicContact CE1-CG2 4.14Å; Y262-V1182 HydrophobicContact CE2-CB 4.29Å; Y262-V1182 HydrophobicContact CE2-CG2 3.77Å; Y262-V1182 PolarHBondContact O-N 3.4Å; V1182-P1202 HydrophobicContact CG1-CB 3.65Å; V1182-A1204 HydrophobicContact CG2-CB 3.69Å; V1182-A1204 VanDerWaalsContact CG2-N 3.34Å |
| 1183 | W | 92.6 | Very high | 79.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -154.6 | 112.1 | 171.3 | -171.3 | 23.6 | 0 | 0 | 0 | 109.6 | L118 S122 I438 L441 L442 H1147 I1148 V1151 L1152 F1181 | L118-W1183 HydrophobicContact CD1-CZ2 3.83Å; L118-W1183 HydrophobicContact CD2-CH2 4.33Å; L118-W1183 HydrophobicContact CD2-CZ2 3.94Å; L118-W1183 HydrophobicContact CG-CZ2 4.06Å; S122-W1183 PolarHBondContact OG-NE1 3.18Å; I438-W1183 HydrophobicContact CB-CZ2 4.39Å; I438-W1183 HydrophobicContact CD1-CD2 4.25Å; I438-W1183 HydrophobicContact CD1-CG 4.07Å; I438-W1183 HydrophobicContact CG2-CD2 4.16Å; I438-W1183 HydrophobicContact CG2-CE3 4.07Å; I438-W1183 HydrophobicContact CG2-CZ3 4.28Å; L441-W1183 HydrophobicContact CD2-CH2 4.36Å; L442-W1183 HydrophobicContact CD2-CZ2 4.31Å; L442-W1183 HydrophobicContact CG-CZ2 4.44Å; H1147-W1183 PolarHBondContact NE2-O 2.99Å; I1148-W1183 HydrophobicContact CB-CZ3 4.36Å; I1148-W1183 HydrophobicContact CG1-CE3 4.21Å; I1148-W1183 HydrophobicContact CG1-CZ3 4.3Å; I1148-W1183 HydrophobicContact CG2-CZ3 4.03Å; V1151-W1183 HydrophobicContact CB-CD2 4.22Å; V1151-W1183 HydrophobicContact CB-CE3 3.73Å; V1151-W1183 HydrophobicContact CB-CZ3 4.03Å; V1151-W1183 HydrophobicContact CG1-CD2 3.69Å; V1151-W1183 HydrophobicContact CG1-CE3 3.64Å; V1151-W1183 HydrophobicContact CG1-CG 4.25Å; V1151-W1183 HydrophobicContact CG1-CH2 4.22Å; V1151-W1183 HydrophobicContact CG1-CZ2 4.26Å; V1151-W1183 HydrophobicContact CG1-CZ3 3.89Å; V1151-W1183 HydrophobicContact CG2-CB 4.43Å; V1151-W1183 HydrophobicContact CG2-CD2 4.41Å; V1151-W1183 HydrophobicContact CG2-CE3 4.11Å; V1151-W1183 VanDerWaalsContact CG2-O 3.23Å; V1151-W1183 WeakPolarHBondContact CG2-O 3.44Å; L1152-W1183 HydrophobicContact CD2-CH2 3.71Å; L1152-W1183 HydrophobicContact CD2-CZ3 4.17Å; L1152-W1183 HydrophobicContact CG-CH2 4.22Å; L1152-W1183 HydrophobicContact CG-CZ3 4.16Å; F1181-W1183 HydrophobicContact CD1-CB 4.06Å; F1181-W1183 HydrophobicContact CE1-CB 3.79Å; F1181-W1183 HydrophobicContact CE1-CE3 4.34Å; F1181-W1183 HydrophobicContact CE1-CG 4.49Å | ||
| 1184 | E | 87.9 | Confident | 77.3 | Confident | 53 Ų | 53 | 53.1 Ų | 53.1 | 25% | 0.248 | 28% | 0.277 | C | S | . | . | trans | -98.3 | 133.9 | -176.9 | -61.4 | -55.3 | 150.3 | 0 | 0 | 112.2 | S121 N260 S1186 I1200 P1202 | S121-E1184 PolarHBondContact OG-O 3.46Å; N260-E1184 PolarHBondContact OD1-N 3.23Å; E1184-S1186 VanDerWaalsContact C-N 3.27Å; E1184-S1186 PolarHBondContact O-N 3.3Å; E1184-I1200 HydrophobicContact CG-CG2 4.33Å; E1184-P1202 HydrophobicContact CG-CB 4.26Å; E1184-P1202 HydrophobicContact CG-CG 4.21Å | ||
| 1185 | P | 84.8 | Confident | 75 | Confident | 27 Ų | 27 | 57.7 Ų | 57.7 | 18% | 0.175 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -71.5 | -19.5 | -177.1 | 29 | -35.7 | 0 | 0 | 0 | 113.9 | S121 V1151 S1155 | S121-P1185 PolarHBondContact OG-O 3.27Å; V1151-P1185 HydrophobicContact CG1-CB 4.37Å; S1155-P1185 WeakPolarHBondContact OG-CB 3.31Å |
| 1186 | S | 82.2 | Confident | 72.7 | Confident | 21 Ų | 21 | 63.8 Ų | 63.8 | 15% | 0.147 | 33% | 0.33 | C | S | . | . | trans | -153.2 | 150 | -178.6 | 67 | 0 | 0 | 0 | 0 | 111 | E1184 P1189 | E1184-S1186 VanDerWaalsContact C-N 3.27Å; E1184-S1186 PolarHBondContact O-N 3.3Å; S1186-P1189 WeakPolarHBondContact OG-CA 3.27Å; S1186-P1189 WeakPolarHBondContact OG-CB 3.45Å; S1186-P1189 WeakPolarHBondContact OG-CD 3.47Å | ||
| 1187 | L | 76.2 | Confident | 70.2 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 13% | 0.126 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -70.8 | -34.4 | 175.9 | -67.2 | 171.9 | 0 | 0 | 0 | 112.1 | L37 V120 | L37-L1187 HydrophobicContact CD1-CD1 3.89Å; V120-L1187 HydrophobicContact CG1-CD1 4.17Å |
| 1188 | F | 75.3 | Confident | 67.8 | Low | 30 Ų | 30 | 65.3 Ų | 65.3 | 13% | 0.132 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -136.3 | 75.3 | -175.7 | -49.5 | -62.8 | 0 | 0 | 0 | 112 | L81 N84 R85 E88 V1199 | L81-F1188 HydrophobicContact CD1-CD1 3.53Å; L81-F1188 HydrophobicContact CD1-CE1 4.15Å; L81-F1188 HydrophobicContact CD1-CG 4.36Å; N84-F1188 HydrophobicContact CB-CD2 4.26Å; N84-F1188 HydrophobicContact CB-CE1 3.91Å; N84-F1188 HydrophobicContact CB-CE2 3.69Å; N84-F1188 HydrophobicContact CB-CZ 3.5Å; N84-F1188 VanDerWaalsContact CB-CZ 3.5Å; R85-F1188 HydrophobicContact CB-CB 4.49Å; R85-F1188 HydrophobicContact CG-CB 3.31Å; R85-F1188 HydrophobicContact CG-CD2 4.35Å; R85-F1188 HydrophobicContact CG-CG 3.96Å; R85-F1188 PolarHBondContact NE-O 3.04Å; E88-F1188 HydrophobicContact CB-CD2 4.18Å; E88-F1188 HydrophobicContact CB-CE2 4.36Å; E88-F1188 WeakPolarHBondContact OE2-CD2 3.34Å; F1188-V1199 HydrophobicContact CE1-CG1 4Å; F1188-V1199 HydrophobicContact CE1-CG2 4.44Å |
| 1189 | P | 65.8 | Low | 65.7 | Low | 33 Ų | 33 | 67.9 Ų | 67.9 | 21% | 0.214 | 37% | 0.368 | C | S | . | . | trans | -61.8 | 151.8 | -176 | 23.4 | -33.3 | 0 | 0 | 0 | 113.2 | R85 S1186 I1200 | R85-P1189 VanDerWaalsContact CZ-O 3.32Å; R85-P1189 PolarHBondContact NH2-O 2.99Å; S1186-P1189 WeakPolarHBondContact OG-CA 3.27Å; S1186-P1189 WeakPolarHBondContact OG-CB 3.45Å; S1186-P1189 WeakPolarHBondContact OG-CD 3.47Å; P1189-I1200 HydrophobicContact CG-CD1 3.05Å; P1189-I1200 HydrophobicContact CG-CG1 4.39Å | ||
| 1190 | E | 58.3 | Low | 63.8 | Low | 169 Ų | 169 | 69.7 Ų | 69.7 | 79% | 0.79 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -80.4 | -24.5 | -167.1 | -63.9 | -174.3 | 161 | 0 | 0 | 114.7 | ||
| 1191 | N | 51.4 | Low | 62.7 | Low | 122 Ų | 122 | 70.2 Ų | 70.2 | 65% | 0.652 | 38% | 0.384 | S | S | * | . | trans | -128.1 | 16.3 | -159.4 | -75.5 | -24.6 | 0 | 0 | 0 | 117.4 | ||||
| 1192 | E | 46.9 | Very low | 62.2 | Low | 147 Ų | 147 | 70.4 Ų | 70.4 | 69% | 0.687 | 39% | 0.386 | S | S | * | . | trans | -83 | 139.7 | 172.7 | -75.7 | -163.8 | 162.3 | 0 | 0 | 112.8 | I1200 | E1192-I1200 WeakPolarHBondContact OE2-CD1 3.39Š| ||
| 1193 | S | 37.8 | Very low | 62 | Low | 97 Ų | 97 | 74.3 Ų | 74.3 | 68% | 0.678 | 40% | 0.4 | S | S | * | . | trans | -66 | 148.2 | -171.8 | 59.6 | 0 | 0 | 0 | 0 | 112.8 | L1195 | S1193-L1195 PolarHBondContact O-N 3Š| ||
| 1194 | I | 37.7 | Very low | 62.1 | Low | 172 Ų | 172 | 74.3 Ų | 74.3 | 88% | 0.882 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 4.9 | -171.4 | -66.1 | 148.6 | 0 | 0 | 0 | 116.1 | ||
| 1195 | L | 37.4 | Very low | 62.2 | Low | 149 Ų | 149 | 76 Ų | 76 | 78% | 0.78 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -3.3 | -168.9 | -72.9 | 165 | 0 | 0 | 0 | 116 | S1193 | S1193-L1195 PolarHBondContact O-N 3Š|
| 1196 | N | 38.5 | Very low | 62.6 | Low | 134 Ų | 134 | 74.7 Ų | 74.7 | 72% | 0.717 | 40% | 0.397 | S | S | * | . | trans | -145.4 | 93.7 | 168 | -91.2 | -32.9 | 0 | 0 | 0 | 111.6 | S1198 | N1196-S1198 VanDerWaalsContact C-N 3.26Å; N1196-S1198 PolarHBondContact O-N 3.25Å | ||
| 1197 | P | 35.9 | Very low | 62.7 | Low | 75 Ų | 75 | 75.7 Ų | 75.7 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | trans | -77 | 0.2 | -172.4 | 29.2 | -33.5 | 0 | 0 | 0 | 115.2 | V1199 | P1197-V1199 PolarHBondContact O-N 3.11Š| ||
| 1198 | S | 40.4 | Very low | 63 | Low | 66 Ų | 66 | 79.3 Ų | 79.3 | 46% | 0.462 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -70 | 121.2 | 173.2 | 56.5 | 0 | 0 | 0 | 0 | 109.4 | N1196 I1200 | N1196-S1198 VanDerWaalsContact C-N 3.26Å; N1196-S1198 PolarHBondContact O-N 3.25Å; S1198-I1200 PolarHBondContact O-N 3.26Å |
| 1199 | V | 49.9 | Very low | 63.5 | Low | 56 Ų | 56 | 78.1 Ų | 78.1 | 34% | 0.339 | 41% | 0.413 | S | S | . | . | trans | -19.1 | 128.6 | 163.7 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | L81 F1188 P1197 V1201 | L81-V1199 HydrophobicContact CD1-CG2 4.25Å; F1188-V1199 HydrophobicContact CE1-CG1 4Å; F1188-V1199 HydrophobicContact CE1-CG2 4.44Å; P1197-V1199 PolarHBondContact O-N 3.11Å; V1199-V1201 WeakPolarHBondContact O-CG2 3.18Å; V1199-V1201 PolarHBondContact O-N 3.41Å | ||
| 1200 | I | 56.6 | Low | 64.4 | Low | 44 Ų | 44 | 76.6 Ų | 76.6 | 23% | 0.226 | 40% | 0.403 | C | S | . | . | trans | -64.9 | 92.1 | 178.7 | -74 | 158.2 | 0 | 0 | 0 | 107.7 | E1184 P1189 E1192 S1198 P1202 | E1184-I1200 HydrophobicContact CG-CG2 4.33Å; P1189-I1200 HydrophobicContact CG-CD1 3.05Å; P1189-I1200 HydrophobicContact CG-CG1 4.39Å; E1192-I1200 WeakPolarHBondContact OE2-CD1 3.39Å; S1198-I1200 PolarHBondContact O-N 3.26Å; I1200-P1202 VanDerWaalsContact O-CD 3.26Å; I1200-P1202 WeakPolarHBondContact O-CD 3.26Å | ||
| 1201 | V | 70.8 | Confident | 65.6 | Low | 46 Ų | 46 | 68.6 Ų | 68.6 | 28% | 0.279 | 37% | 0.367 | S | S | . | . | trans | -72.8 | 116.3 | 174.8 | -178.4 | 0 | 0 | 0 | 0 | 105.2 | T27 S258 V1199 R1203 | T27-V1201 HydrophobicContact CG2-CG1 3.83Å; S258-V1201 VanDerWaalsContact CB-CG1 3.42Å; S258-V1201 WeakPolarHBondContact OG-CG1 3.43Å; V1199-V1201 WeakPolarHBondContact O-CG2 3.18Å; V1199-V1201 PolarHBondContact O-N 3.41Å; V1201-R1203 WeakPolarHBondContact O-CG 3.48Å; V1201-R1203 PolarHBondContact O-N 2.8Å | ||
| 1202 | P | 86.1 | Confident | 67.1 | Low | 11 Ų | 11 | 68.8 Ų | 68.8 | 7% | 0.071 | 36% | 0.364 | C | S | . | . | trans | -49.4 | 115 | 169.7 | -28.5 | 35.6 | 0 | 0 | 0 | 109.7 | L259 N260 V1182 E1184 I1200 | L259-P1202 WeakPolarHBondContact O-CB 3.29Å; N260-P1202 WeakPolarHBondContact OD1-CB 3.2Å; V1182-P1202 HydrophobicContact CG1-CB 3.65Å; E1184-P1202 HydrophobicContact CG-CB 4.26Å; E1184-P1202 HydrophobicContact CG-CG 4.21Å; I1200-P1202 VanDerWaalsContact O-CD 3.26Å; I1200-P1202 WeakPolarHBondContact O-CD 3.26Å | ||
| 1203 | R | 90.1 | Very high | 68.9 | Low | 84 Ų | 84 | 63 Ų | 63 | 32% | 0.317 | 34% | 0.339 | S | S | . | . | trans | -151.1 | 148.2 | -177.4 | 65.6 | -176.8 | 145.4 | -177.6 | -6.7 | 110.9 | V26 V1201 Y1205 | V26-R1203 CarbonylContact O-C 3.57Å; V26-R1203 WeakPolarHBondContact O-CA 3.17Å; V26-R1203 WeakPolarHBondContact O-CB 3.14Å; V1201-R1203 WeakPolarHBondContact O-CG 3.48Å; V1201-R1203 PolarHBondContact O-N 2.8Å; R1203-Y1205 PolarHBondContact O-N 3.08Å | ||
| 1204 | A | 93.3 | Very high | 71.3 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 113.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | S25 V26 V264 R1180 V1182 F1206 | S25-A1204 WeakPolarHBondContact CA-O 3.31Å; V26-A1204 HydrophobicContact CB-CB 4.28Å; V26-A1204 PolarHBondContact N-O 2.83Å; V26-A1204 PolarHBondContact O-N 3.27Å; V264-A1204 HydrophobicContact CB-CB 3.66Å; V264-A1204 HydrophobicContact CG1-CB 4.4Å; V264-A1204 HydrophobicContact CG2-CB 3.44Å; V264-A1204 VanDerWaalsContact CG2-CB 3.44Å; R1180-A1204 HydrophobicContact CB-CB 3.88Å; V1182-A1204 HydrophobicContact CG2-CB 3.69Å; V1182-A1204 VanDerWaalsContact CG2-N 3.34Å; A1204-F1206 HydrophobicContact CB-CE2 3.94Å |
| 1205 | Y | 91.3 | Very high | 73.9 | Confident | 87 Ų | 87 | 52.3 Ų | 52.3 | 34% | 0.341 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 118.5 | -179.8 | -164.5 | -103.9 | 0 | 0 | 0 | 110.2 | R23 R1180 R1203 T1207 L1250 | R23-Y1205 WeakPolarHBondContact CD-OH 3.45Å; R1180-Y1205 PolarHBondContact NE-O 3.15Å; R1203-Y1205 PolarHBondContact O-N 3.08Å; Y1205-T1207 HydrophobicContact CD1-CG2 3.7Å; Y1205-T1207 HydrophobicContact CE1-CG2 3.34Å; Y1205-L1250 HydrophobicContact CE2-CD1 4.18Å |
| 1206 | F | 91.7 | Very high | 76.5 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 134.4 | 178.1 | -59.2 | -101.1 | 0 | 0 | 0 | 109.3 | R23 V24 V264 L266 F1178 R1180 A1204 L1209 | R23-F1206 VanDerWaalsContact CA-O 3.29Å; R23-F1206 WeakPolarHBondContact CA-O 3.39Å; V24-F1206 HydrophobicContact CB-CB 4.19Å; V24-F1206 HydrophobicContact CB-CD2 4.19Å; V24-F1206 HydrophobicContact CG1-CD2 4.38Å; V24-F1206 PolarHBondContact N-O 3.04Å; V24-F1206 VanDerWaalsContact N-O 3.11Å; V24-F1206 PolarHBondContact O-N 3.49Å; V264-F1206 HydrophobicContact CB-CE2 4.08Å; V264-F1206 HydrophobicContact CB-CZ 4.04Å; V264-F1206 HydrophobicContact CG1-CE2 3.76Å; V264-F1206 HydrophobicContact CG1-CZ 3.89Å; V264-F1206 WeakPolarHBondContact O-CZ 3.41Å; L266-F1206 HydrophobicContact CD1-CB 4.27Å; L266-F1206 HydrophobicContact CD1-CD1 3.73Å; L266-F1206 HydrophobicContact CD1-CD2 3.99Å; L266-F1206 HydrophobicContact CD1-CE1 3.96Å; L266-F1206 HydrophobicContact CD1-CE2 4.22Å; L266-F1206 HydrophobicContact CD1-CG 3.74Å; L266-F1206 HydrophobicContact CD1-CZ 4.2Å; L266-F1206 HydrophobicContact CG-CD1 4.4Å; L266-F1206 HydrophobicContact CG-CE1 4.11Å; L266-F1206 HydrophobicContact CG-CE2 4.36Å; L266-F1206 HydrophobicContact CG-CZ 4.1Å; F1178-F1206 HydrophobicContact CB-CD1 4.16Å; F1178-F1206 HydrophobicContact CB-CE1 4.04Å; R1180-F1206 HydrophobicContact CB-CE1 4.21Å; R1180-F1206 HydrophobicContact CB-CE2 4.27Å; R1180-F1206 HydrophobicContact CB-CZ 3.89Å; R1180-F1206 HydrophobicContact CG-CD1 3.78Å; R1180-F1206 HydrophobicContact CG-CD2 4.24Å; R1180-F1206 HydrophobicContact CG-CE1 3.54Å; R1180-F1206 HydrophobicContact CG-CE2 4.01Å; R1180-F1206 HydrophobicContact CG-CG 4.14Å; R1180-F1206 HydrophobicContact CG-CZ 3.65Å; A1204-F1206 HydrophobicContact CB-CE2 3.94Å; F1206-L1209 HydrophobicContact CB-CD1 3.63Å; F1206-L1209 HydrophobicContact CB-CD2 4.26Å; F1206-L1209 HydrophobicContact CB-CG 4.02Å; F1206-L1209 HydrophobicContact CD1-CD2 4.41Å; F1206-L1209 HydrophobicContact CG-CD1 4.43Å |
| 1207 | T | 86.1 | Confident | 79.1 | Confident | 43 Ų | 43 | 40 Ų | 40 | 26% | 0.264 | 21% | 0.212 | S | C | . | . | trans | -130.5 | 162.6 | 175.1 | 57.2 | 0 | 0 | 0 | 0 | 108.7 | R23 Y1205 L1209 | R23-T1207 HydrophobicContact CG-CG2 4.25Å; Y1205-T1207 HydrophobicContact CD1-CG2 3.7Å; Y1205-T1207 HydrophobicContact CE1-CG2 3.34Å; T1207-L1209 VanDerWaalsContact C-N 3.29Å; T1207-L1209 PolarHBondContact O-N 3.34Å | ||
| 1208 | H | 81.4 | Confident | 81.8 | Confident | 99 Ų | 99 | 37.2 Ų | 37.2 | 46% | 0.458 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 56.6 | 41.4 | 177.2 | -55.9 | -62.8 | 0 | 0 | 0 | 112.9 | D21 D332 | D21-H1208 VanDerWaalsContact OD1-CA 3.3Å; D21-H1208 WeakPolarHBondContact OD1-CA 3.37Å; D21-H1208 IonicContact OD1-CE1 3.54Å; D21-H1208 IonicContact OD1-CG 2.95Å; D21-H1208 PolarHBondContact OD1-N 3.2Å; D21-H1208 IonicContact OD1-ND1 3.65Å; D21-H1208 PolarHBondContact OD1-ND1 3.44Å; D332-H1208 WeakPolarHBondContact OD2-CB 3.43Å; D332-H1208 IonicContact OD2-CG 3.54Å; D332-H1208 IonicContact OD2-ND1 3.37Å |
| 1209 | L | 86.3 | Confident | 84.3 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | trans | -83.1 | 146.2 | 179 | -71.4 | 173.5 | 0 | 0 | 0 | 112.1 | N22 V24 L266 F1178 F1206 T1207 G1211 L1241 | N22-L1209 HydrophobicContact CB-CB 4.24Å; N22-L1209 PolarHBondContact ND2-O 3.18Å; N22-L1209 VanDerWaalsContact ND2-O 3.15Å; N22-L1209 PolarHBondContact O-N 3.4Å; V24-L1209 HydrophobicContact CB-CD1 4.09Å; V24-L1209 HydrophobicContact CG2-CD1 3.53Å; L266-L1209 HydrophobicContact CD1-CD1 3.58Å; L266-L1209 HydrophobicContact CD1-CD2 4.11Å; F1178-L1209 HydrophobicContact CB-CD2 4.27Å; F1178-L1209 HydrophobicContact CD1-CD2 3.97Å; F1178-L1209 HydrophobicContact CD2-CD2 4Å; F1178-L1209 HydrophobicContact CE1-CD2 4.3Å; F1178-L1209 HydrophobicContact CE2-CD2 4.35Å; F1178-L1209 HydrophobicContact CG-CD2 3.81Å; F1178-L1209 HydrophobicContact CZ-CD2 4.49Å; F1206-L1209 HydrophobicContact CB-CD1 3.63Å; F1206-L1209 HydrophobicContact CB-CD2 4.26Å; F1206-L1209 HydrophobicContact CB-CG 4.02Å; F1206-L1209 HydrophobicContact CD1-CD2 4.41Å; F1206-L1209 HydrophobicContact CG-CD1 4.43Å; T1207-L1209 VanDerWaalsContact C-N 3.29Å; T1207-L1209 PolarHBondContact O-N 3.34Å; L1209-G1211 PolarHBondContact O-N 3.02Å; L1209-L1241 HydrophobicContact CB-CD1 3.53Å; L1209-L1241 HydrophobicContact CD1-CD1 3.8Å; L1209-L1241 HydrophobicContact CG-CD1 4.36Å | ||
| 1210 | P | 85.1 | Confident | 86.3 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | trans | -62.9 | 133.6 | 175.7 | 27.1 | -34.7 | 0 | 0 | 0 | 110.4 | L334 F1178 | L334-P1210 HydrophobicContact CD1-CG 4.45Å; L334-P1210 HydrophobicContact CG-CB 4.39Å; L334-P1210 HydrophobicContact CG-CG 4.44Å; F1178-P1210 HydrophobicContact CE2-CG 3.87Å; F1178-P1210 VanDerWaalsContact CZ-CD 3.48Å; F1178-P1210 HydrophobicContact CZ-CG 3.79Å | ||
| 1211 | G | 81.9 | Confident | 87.9 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -81.2 | -40.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N22 E333 L1209 L1241 V1242 | N22-G1211 VanDerWaalsContact ND2-CA 3.31Å; N22-G1211 WeakPolarHBondContact ND2-CA 3.26Å; E333-G1211 PolarHBondContact OE1-N 2.72Å; L1209-G1211 PolarHBondContact O-N 3.02Å; G1211-L1241 PolarHBondContact O-N 3.37Å; G1211-V1242 VanDerWaalsContact O-CG2 3.28Å; G1211-V1242 WeakPolarHBondContact O-CG2 3.08Å; G1211-V1242 PolarHBondContact O-N 3.32Å |
| 1212 | Q | 83 | Confident | 88.8 | Confident | 126 Ų | 126 | 33.9 Ų | 33.9 | 59% | 0.589 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -83.6 | -24.2 | -172.9 | -64.6 | -176.2 | 16.3 | 0 | 0 | 114.1 | E333 R1240 V1242 | E333-Q1212 PolarHBondContact OE1-N 3.09Å; Q1212-R1240 PolarHBondContact O-NE 3.14Å; Q1212-V1242 HydrophobicContact CG-CG2 4.19Å |
| 1213 | S | 85.7 | Confident | 88.7 | Confident | 25 Ų | 25 | 35.5 Ų | 35.5 | 18% | 0.175 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -70.4 | 144.5 | -176.1 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1214 | L | 88.9 | Confident | 88.6 | Confident | 44 Ų | 44 | 31.5 Ų | 31.5 | 23% | 0.23 | 16% | 0.161 | C | C | . | . | trans | -92.1 | 118.2 | 178 | -156.2 | 126.4 | 0 | 0 | 0 | 109.9 | K269 T271 N1238 | K269-L1214 HydrophobicContact CB-CB 4.48Å; K269-L1214 HydrophobicContact CB-CD2 3.78Å; K269-L1214 HydrophobicContact CD-CD2 3.28Å; K269-L1214 HydrophobicContact CG-CD2 4.15Å; K269-L1214 PolarHBondContact N-O 3.22Å; T271-L1214 HydrophobicContact CG2-CB 4.23Å; L1214-N1238 HydrophobicContact CD2-CB 4.33Å | ||
| 1215 | L | 90.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 144.1 | -174.8 | -59.6 | 171.8 | 0 | 0 | 0 | 110.7 | L266 A267 L268 F1178 L1239 L1241 | L266-L1215 HydrophobicContact CB-CD1 4.47Å; L266-L1215 HydrophobicContact CD1-CD1 4.46Å; A267-L1215 CarbonylContact O-C 3.59Å; A267-L1215 WeakPolarHBondContact O-CA 3.37Å; L268-L1215 HydrophobicContact CD2-CD2 3.62Å; L268-L1215 HydrophobicContact CG-CD2 4.27Å; F1178-L1215 HydrophobicContact CD2-CD2 4.26Å; F1178-L1215 HydrophobicContact CE2-CD2 4.21Å; L1215-L1239 HydrophobicContact CB-CB 4.13Å; L1215-L1239 PolarHBondContact N-O 2.68Å; L1215-L1239 PolarHBondContact O-N 3.22Å; L1215-L1241 HydrophobicContact CD1-CD1 4.24Å |
| 1216 | T | 91.8 | Very high | 88.7 | Confident | 21 Ų | 21 | 27.4 Ų | 27.4 | 13% | 0.129 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126 | 171.2 | -63.4 | 0 | 0 | 0 | 0 | 108.7 | L266 A267 D1237 K1500 | L266-T1216 WeakPolarHBondContact CA-O 3.48Å; A267-T1216 PolarHBondContact N-O 3.07Å; A267-T1216 PolarHBondContact O-N 3.36Å; T1216-D1237 PolarHBondContact OG1-O 3.13Å; T1216-K1500 HydrophobicContact CG2-CD 3.87Å |
| 1217 | L | 93.8 | Very high | 88.8 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 128 | 177.3 | -173.8 | 156.9 | 0 | 0 | 0 | 110.7 | V26 V264 E265 L266 L1236 L1239 F1255 | V26-L1217 HydrophobicContact CG2-CD1 3.62Å; V264-L1217 HydrophobicContact CG1-CG 4.24Å; E265-L1217 WeakPolarHBondContact O-CA 3.06Å; L266-L1217 HydrophobicContact CD2-CB 3.87Å; L266-L1217 HydrophobicContact CD2-CD1 4.21Å; L266-L1217 HydrophobicContact CD2-CG 4.11Å; L1217-L1236 HydrophobicContact CB-CB 4.3Å; L1217-L1236 HydrophobicContact CD1-CD2 4.31Å; L1217-L1236 PolarHBondContact N-O 3.44Å; L1217-L1239 HydrophobicContact CB-CD1 4.32Å; L1217-F1255 HydrophobicContact CD2-CE2 3.71Å; L1217-F1255 HydrophobicContact CD2-CZ 3.48Å; L1217-F1255 VanDerWaalsContact CD2-CZ 3.48Å |
| 1218 | G | 91.9 | Very high | 89.1 | Confident | 16 Ų | 16 | 26 Ų | 26 | 17% | 0.165 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 149.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E265 | E265-G1218 PolarHBondContact N-O 2.98Å; E265-G1218 PolarHBondContact O-N 3.45Å |
| 1219 | M | 92.7 | Very high | 89.7 | Confident | 34 Ų | 34 | 21.7 Ų | 21.7 | 17% | 0.167 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 135.3 | 172.3 | -64.6 | -67.1 | -69.8 | 0 | 0 | 108.7 | V26 L28 Y262 V264 E1221 V1227 F1255 | V26-M1219 HydrophobicContact CG1-SD 4.09Å; L28-M1219 HydrophobicContact CD2-CE 4.47Å; Y262-M1219 HydrophobicContact CD2-CE 3.47Å; Y262-M1219 VanDerWaalsContact CD2-CE 3.47Å; Y262-M1219 HydrophobicContact CE2-CE 3.76Å; Y262-M1219 HydrophobicContact CG-CE 4.29Å; V264-M1219 HydrophobicContact CG2-CE 4.43Å; V264-M1219 HydrophobicContact CG2-SD 3.88Å; M1219-E1221 WeakPolarHBondContact CB-OE2 3.27Å; M1219-V1227 HydrophobicContact CE-CG1 4.26Å; M1219-F1255 HydrophobicContact CE-CB 4.26Å; M1219-F1255 HydrophobicContact CE-CD2 4.44Å; M1219-F1255 HydrophobicContact CE-CG 4.16Å; M1219-F1255 HydrophobicContact CG-CD1 3.86Å; M1219-F1255 HydrophobicContact CG-CE1 3.67Å; M1219-F1255 HydrophobicContact CG-CE2 4.41Å; M1219-F1255 HydrophobicContact CG-CG 4.3Å; M1219-F1255 HydrophobicContact CG-CZ 3.98Å; M1219-F1255 HydrophobicContact SD-CD1 4.21Å; M1219-F1255 HydrophobicContact SD-CD2 3.92Å; M1219-F1255 HydrophobicContact SD-CE1 4.26Å; M1219-F1255 HydrophobicContact SD-CE2 4Å; M1219-F1255 HydrophobicContact SD-CG 4.03Å; M1219-F1255 HydrophobicContact SD-CZ 4.17Å |
| 1220 | D | 92 | Very high | 90 | Very high | 53 Ų | 53 | 24.6 Ų | 24.6 | 28% | 0.283 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 71.6 | 169.1 | 176.8 | 41.8 | 0 | 0 | 0 | 108.7 | G263 R1144 Y1179 | G263-D1220 PolarHBondContact N-O 3.4Å; G263-D1220 PolarHBondContact O-N 3.07Å; R1144-D1220 IonicContact NH1-OD2 3.53Å; R1144-D1220 PolarHBondContact NH1-OD2 2.85Å; Y1179-D1220 HydrophobicContact CE2-CB 4.07Å; Y1179-D1220 PolarHBondContact OH-OD2 2.7Å |
| 1221 | E | 91 | Very high | 90.3 | Very high | 43 Ų | 43 | 30.9 Ų | 30.9 | 20% | 0.201 | 16% | 0.159 | C | C | . | . | trans | -83.3 | 155.3 | 176.6 | 71 | -80.8 | -179.5 | 0 | 0 | 113.1 | M1219 H1223 W1225 V1227 K1489 | M1219-E1221 WeakPolarHBondContact CB-OE2 3.27Å; E1221-H1223 PolarHBondContact O-N 3.48Å; E1221-W1225 HydrophobicContact CB-CB 4.22Å; E1221-W1225 HydrophobicContact CB-CE3 4.41Å; E1221-W1225 HydrophobicContact CG-CB 3.98Å; E1221-V1227 HydrophobicContact CB-CG2 4.02Å; E1221-V1227 HydrophobicContact CG-CG2 3.97Å; E1221-K1489 IonicContact OE1-NZ 2.67Å; E1221-K1489 PolarHBondContact OE1-NZ 2.77Å | ||
| 1222 | P | 89.7 | Confident | 90.7 | Very high | 12 Ų | 12 | 31.1 Ų | 31.1 | 8% | 0.078 | 16% | 0.161 | C | C | . | . | trans | -50.3 | 140.8 | 166.5 | -25.4 | 34.4 | 0 | 0 | 0 | 111.4 | G1224 W1225 | P1222-G1224 VanDerWaalsContact C-N 3.26Å; P1222-G1224 PolarHBondContact O-N 3.06Å; P1222-G1224 VanDerWaalsContact O-N 3.15Å; P1222-W1225 HydrophobicContact CB-CD2 4.28Å; P1222-W1225 HydrophobicContact CB-CG 4.12Å; P1222-W1225 HydrophobicContact CG-CD2 3.99Å; P1222-W1225 HydrophobicContact CG-CE3 4.35Å; P1222-W1225 HydrophobicContact CG-CG 4.35Å; P1222-W1225 HydrophobicContact CG-CZ2 4.27Å; P1222-W1225 VanDerWaalsContact O-CB 3.27Å; P1222-W1225 WeakPolarHBondContact O-CB 3.5Å; P1222-W1225 PolarHBondContact O-N 3.47Å | ||
| 1223 | H | 84.9 | Confident | 90.9 | Very high | 46 Ų | 46 | 30.5 Ų | 30.5 | 21% | 0.213 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -34.5 | -168.9 | -174.8 | 75.1 | 0 | 0 | 0 | 113.9 | E1221 W1225 E1263 K1489 W1490 R1492 | E1221-H1223 PolarHBondContact O-N 3.48Å; H1223-W1225 PolarHBondContact O-N 3.24Å; H1223-W1225 VanDerWaalsContact O-N 3.1Å; H1223-E1263 IonicContact CD2-OE1 2.8Å; H1223-K1489 WeakPolarHBondContact O-CE 3.18Å; H1223-W1490 PolarHBondContact CE1-O 3.41Å; H1223-W1490 PolarHBondContact NE2-O 2.82Å; H1223-R1492 WeakPolarHBondContact CD2-CG 3.34Å; H1223-R1492 PolarHBondContact CD2-NE 3.29Å; H1223-R1492 WeakPolarHBondContact NE2-CG 3.18Å |
| 1224 | G | 87.5 | Confident | 91 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -5.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P1222 L1260 L1261 S1350 | P1222-G1224 VanDerWaalsContact C-N 3.26Å; P1222-G1224 PolarHBondContact O-N 3.06Å; P1222-G1224 VanDerWaalsContact O-N 3.15Å; G1224-L1260 CarbonylContact O-C 3.55Å; G1224-L1260 WeakPolarHBondContact O-CA 3.46Å; G1224-L1261 WeakPolarHBondContact O-CG 3.41Å; G1224-L1261 PolarHBondContact O-N 3.03Å; G1224-S1350 WeakPolarHBondContact CA-OG 3.42Å; G1224-S1350 PolarHBondContact N-OG 3.29Å |
| 1225 | W | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 138 | -176.4 | -69.1 | 21 | 0 | 0 | 0 | 111.1 | L28 L259 F439 E1221 P1222 H1223 V1227 L1257 L1260 F1348 K1489 | L28-W1225 HydrophobicContact CD2-CE3 3.97Å; L28-W1225 HydrophobicContact CD2-CZ3 3.57Å; L259-W1225 HydrophobicContact CB-CH2 4.5Å; L259-W1225 HydrophobicContact CD1-CH2 4.14Å; L259-W1225 HydrophobicContact CD1-CZ3 4.11Å; F439-W1225 HydrophobicContact CD2-CZ2 4.46Å; F439-W1225 AromaticContact CE2-CH2 4Å; F439-W1225 HydrophobicContact CE2-CH2 4Å; F439-W1225 AromaticContact CE2-CZ2 3.45Å; F439-W1225 HydrophobicContact CE2-CZ2 3.45Å; F439-W1225 VanDerWaalsContact CE2-CZ2 3.45Å; F439-W1225 HydrophobicContact CZ-CH2 4.09Å; F439-W1225 AromaticContact CZ-CZ2 3.87Å; F439-W1225 HydrophobicContact CZ-CZ2 3.87Å; E1221-W1225 HydrophobicContact CB-CB 4.22Å; E1221-W1225 HydrophobicContact CB-CE3 4.41Å; E1221-W1225 HydrophobicContact CG-CB 3.98Å; P1222-W1225 HydrophobicContact CB-CD2 4.28Å; P1222-W1225 HydrophobicContact CB-CG 4.12Å; P1222-W1225 HydrophobicContact CG-CD2 3.99Å; P1222-W1225 HydrophobicContact CG-CE3 4.35Å; P1222-W1225 HydrophobicContact CG-CG 4.35Å; P1222-W1225 HydrophobicContact CG-CZ2 4.27Å; P1222-W1225 VanDerWaalsContact O-CB 3.27Å; P1222-W1225 WeakPolarHBondContact O-CB 3.5Å; P1222-W1225 PolarHBondContact O-N 3.47Å; H1223-W1225 PolarHBondContact O-N 3.24Å; H1223-W1225 VanDerWaalsContact O-N 3.1Å; W1225-V1227 HydrophobicContact CB-CG2 4.23Å; W1225-V1227 HydrophobicContact CE3-CG2 4.46Å; W1225-L1257 HydrophobicContact CB-CD1 3.55Å; W1225-L1257 HydrophobicContact CD2-CD1 3.76Å; W1225-L1257 HydrophobicContact CD2-CD2 3.94Å; W1225-L1257 HydrophobicContact CD2-CG 4.47Å; W1225-L1257 HydrophobicContact CE3-CD1 3.92Å; W1225-L1257 HydrophobicContact CE3-CD2 4.01Å; W1225-L1257 HydrophobicContact CE3-CG 4.43Å; W1225-L1257 HydrophobicContact CG-CD1 3.63Å; W1225-L1257 HydrophobicContact CG-CD2 4.48Å; W1225-L1257 HydrophobicContact CH2-CD2 4.37Å; W1225-L1257 HydrophobicContact CZ2-CD2 4.31Å; W1225-L1257 HydrophobicContact CZ3-CD2 4.23Å; W1225-L1260 VanDerWaalsContact CD1-CD2 3.47Å; W1225-L1260 HydrophobicContact CG-CD2 4.25Å; W1225-F1348 AromaticContact CE2-CD1 3.72Å; W1225-F1348 HydrophobicContact CH2-CD1 4.08Å; W1225-F1348 HydrophobicContact CH2-CE1 4.25Å; W1225-F1348 HydrophobicContact CH2-CG 4.48Å; W1225-F1348 HydrophobicContact CZ2-CB 3.72Å; W1225-F1348 AromaticContact CZ2-CD1 3.23Å; W1225-F1348 HydrophobicContact CZ2-CD1 3.23Å; W1225-F1348 HydrophobicContact CZ2-CD2 4.32Å; W1225-F1348 AromaticContact CZ2-CE1 3.83Å; W1225-F1348 HydrophobicContact CZ2-CE1 3.83Å; W1225-F1348 AromaticContact CZ2-CG 3.53Å; W1225-F1348 HydrophobicContact CZ2-CG 3.53Å; W1225-F1348 AromaticContact NE1-CD1 3.93Å; W1225-F1348 PolarHBondContact NE1-O 3.48Å; W1225-K1489 PolarHBondContact O-NZ 3.01Å |
| 1226 | M | 93.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 115.5 | 166.1 | -73.9 | -170.9 | -73.5 | 0 | 0 | 109.9 | E1258 Y1259 L1261 K1305 K1489 | M1226-E1258 PolarHBondContact O-N 2.84Å; M1226-Y1259 HydrophobicContact CE-CD2 3.81Å; M1226-Y1259 HydrophobicContact CE-CG 3.85Å; M1226-Y1259 PolarHBondContact N-O 3.42Å; M1226-L1261 HydrophobicContact CE-CD2 3.4Å; M1226-L1261 HydrophobicContact CE-CG 4.3Å; M1226-L1261 HydrophobicContact CG-CD2 4.11Å; M1226-L1261 HydrophobicContact CG-CG 4.35Å; M1226-L1261 HydrophobicContact SD-CD2 3.88Å; M1226-K1305 HydrophobicContact CE-CB 3.71Å; M1226-K1305 HydrophobicContact CE-CD 3.79Å; M1226-K1305 HydrophobicContact CE-CG 3.49Å; M1226-K1305 VanDerWaalsContact CE-CG 3.49Å; M1226-K1305 HydrophobicContact SD-CD 4.48Å; M1226-K1489 HydrophobicContact CG-CB 4.46Å; M1226-K1489 HydrophobicContact CG-CD 4.45Å |
| 1227 | V | 94 | Very high | 91 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 7% | 0.067 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 142.2 | -171.7 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | L28 M1219 E1221 W1225 F1255 E1256 L1257 | L28-V1227 HydrophobicContact CD1-CG1 3.56Å; L28-V1227 HydrophobicContact CD1-CG2 4.18Å; L28-V1227 HydrophobicContact CD2-CG2 4.45Å; M1219-V1227 HydrophobicContact CE-CG1 4.26Å; E1221-V1227 HydrophobicContact CB-CG2 4.02Å; E1221-V1227 HydrophobicContact CG-CG2 3.97Å; W1225-V1227 HydrophobicContact CB-CG2 4.23Å; W1225-V1227 HydrophobicContact CE3-CG2 4.46Å; V1227-F1255 HydrophobicContact CG1-CB 3.81Å; V1227-F1255 HydrophobicContact CG1-CD1 3.79Å; V1227-F1255 HydrophobicContact CG1-CG 4.21Å; V1227-E1256 VanDerWaalsContact CA-O 3.29Å; V1227-E1256 WeakPolarHBondContact CA-O 3.38Å; V1227-L1257 HydrophobicContact CG2-CD1 4.13Å |
| 1228 | A | 92.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 2% | 0.017 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 148 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1230 F1255 E1256 E1258 | A1228-I1230 PolarHBondContact O-N 3.12Å; A1228-F1255 VanDerWaalsContact C-CD1 3.47Å; A1228-F1255 CarbonylContact O-C 3.56Å; A1228-F1255 WeakPolarHBondContact O-CA 3.41Å; A1228-E1256 PolarHBondContact N-O 3.02Å; A1228-E1256 PolarHBondContact O-N 2.85Å; A1228-E1258 HydrophobicContact CB-CG 4.39Å; A1228-E1258 WeakPolarHBondContact CB-OE1 3.49Å |
| 1229 | A | 93.5 | Very high | 90.7 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 7% | 0.066 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 129.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | L1236 F1255 P1466 K1469 | A1229-L1236 HydrophobicContact CB-CD1 4.19Å; A1229-F1255 HydrophobicContact CB-CD1 4Å; A1229-F1255 HydrophobicContact CB-CE1 3.68Å; A1229-F1255 HydrophobicContact CB-CE2 4.39Å; A1229-F1255 HydrophobicContact CB-CG 4.49Å; A1229-F1255 HydrophobicContact CB-CZ 3.88Å; A1229-P1466 HydrophobicContact CB-CG 3.9Å; A1229-K1469 WeakPolarHBondContact O-CE 3.28Å; A1229-K1469 PolarHBondContact O-NZ 2.8Å |
| 1230 | I | 92.5 | Very high | 90.4 | Very high | 67 Ų | 67 | 34.2 Ų | 34.2 | 34% | 0.344 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -21.3 | 178.1 | 56.8 | 159.3 | 0 | 0 | 0 | 113.4 | V29 A1228 V1254 E1256 | V29-I1230 HydrophobicContact CG2-CD1 4.07Å; A1228-I1230 PolarHBondContact O-N 3.12Å; I1230-V1254 HydrophobicContact CD1-CG1 4.1Å; I1230-V1254 HydrophobicContact CG1-CB 4.31Å; I1230-V1254 HydrophobicContact CG1-CG1 4.12Å; I1230-V1254 WeakPolarHBondContact CG1-O 3.47Å; I1230-V1254 PolarHBondContact N-O 2.67Å; I1230-E1256 HydrophobicContact CB-CB 4.49Å; I1230-E1256 HydrophobicContact CD1-CB 4.1Å; I1230-E1256 HydrophobicContact CG1-CB 4.2Å; I1230-E1256 HydrophobicContact CG2-CB 3.52Å |
| 1231 | K | 92.2 | Very high | 90.1 | Very high | 132 Ų | 132 | 32 Ų | 32 | 57% | 0.574 | 16% | 0.16 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 121.7 | 176.1 | -172.1 | -175.6 | 178.1 | -171.9 | 0 | 109.9 | A1253 V1254 | K1231-A1253 CarbonylContact O-C 3.55Å; K1231-A1253 WeakPolarHBondContact O-CA 3.31Å; K1231-V1254 HydrophobicContact CB-CB 4.01Å; K1231-V1254 HydrophobicContact CB-CG2 4.23Å; K1231-V1254 HydrophobicContact CD-CG2 4.35Å; K1231-V1254 PolarHBondContact N-O 2.96Å; K1231-V1254 VanDerWaalsContact N-O 3.13Å; K1231-V1254 PolarHBondContact O-N 2.82Å |
| 1232 | A | 90.7 | Very high | 89.7 | Confident | 7 Ų | 7 | 33.1 Ų | 33.1 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 134.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | L1236 A1253 P1466 | A1232-L1236 HydrophobicContact CB-CD1 3.9Å; A1232-L1236 HydrophobicContact CB-CD2 4Å; A1232-L1236 HydrophobicContact CB-CG 3.99Å; A1232-A1253 HydrophobicContact CB-CB 4.41Å; A1232-P1466 HydrophobicContact CB-CG 4Å |
| 1233 | V | 85.7 | Confident | 89.3 | Confident | 113 Ų | 113 | 36.8 Ų | 36.8 | 69% | 0.685 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -90.3 | -37.9 | 176.9 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1234 | Q | 88.5 | Confident | 88.7 | Confident | 38 Ų | 38 | 37.2 Ų | 37.2 | 18% | 0.178 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -84.8 | 160.4 | -178.2 | -62 | 79.6 | 6.6 | 0 | 0 | 112.1 | L1236 L1239 Y1244 V1251 | Q1234-L1236 PolarHBondContact O-N 2.66Å; Q1234-L1239 HydrophobicContact CB-CD2 4.01Å; Q1234-Y1244 HydrophobicContact CB-CE1 4.34Å; Q1234-Y1244 HydrophobicContact CG-CD1 4.18Å; Q1234-Y1244 HydrophobicContact CG-CE1 3.87Å; Q1234-Y1244 HydrophobicContact CG-CE2 4.34Å; Q1234-V1251 HydrophobicContact CB-CG1 4.23Å; Q1234-V1251 HydrophobicContact CG-CG1 4.28Å; Q1234-V1251 HydrophobicContact CG-CG2 4.32Å |
| 1235 | D | 90.6 | Very high | 87.6 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 10% | 0.102 | 23% | 0.226 | C | C | . | . | trans | -76.6 | 101.8 | 174.4 | -174.2 | -12 | 0 | 0 | 0 | 110.1 | D1237 N1238 L1239 G1433 H1434 | D1235-D1237 PolarHBondContact O-N 3.07Å; D1235-D1237 WeakPolarHBondContact OD1-CB 3.21Å; D1235-D1237 PolarHBondContact OD1-N 3.4Å; D1235-N1238 CarbonylContact O-C 3.57Å; D1235-N1238 PolarHBondContact O-N 3.26Å; D1235-N1238 PolarHBondContact OD1-N 3.38Å; D1235-N1238 PolarHBondContact OD2-ND2 3.36Å; D1235-L1239 VanDerWaalsContact O-CD2 3.3Å; D1235-L1239 WeakPolarHBondContact O-CD2 3.19Å; D1235-L1239 WeakPolarHBondContact O-CG 3.45Å; D1235-L1239 PolarHBondContact O-N 3.08Å; D1235-G1433 WeakPolarHBondContact OD1-CA 3.41Å; D1235-G1433 VanDerWaalsContact OD2-CA 3.29Å; D1235-G1433 WeakPolarHBondContact OD2-CA 3.4Å; D1235-H1434 HydrophobicContact CB-CB 4.45Å; D1235-H1434 PolarHBondContact OD2-N 3.31Å | ||
| 1236 | L | 91.7 | Very high | 86 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17.5 | -179 | -56.4 | -174.5 | 0 | 0 | 0 | 113.5 | L1217 A1229 A1232 Q1234 A1253 F1255 | L1217-L1236 HydrophobicContact CB-CB 4.3Å; L1217-L1236 HydrophobicContact CD1-CD2 4.31Å; L1217-L1236 PolarHBondContact N-O 3.44Å; A1229-L1236 HydrophobicContact CB-CD1 4.19Å; A1232-L1236 HydrophobicContact CB-CD1 3.9Å; A1232-L1236 HydrophobicContact CB-CD2 4Å; A1232-L1236 HydrophobicContact CB-CG 3.99Å; Q1234-L1236 PolarHBondContact O-N 2.66Å; L1236-A1253 HydrophobicContact CD1-CB 4.14Å; L1236-A1253 HydrophobicContact CD2-CB 3.97Å; L1236-F1255 HydrophobicContact CD1-CE2 4.16Å; L1236-F1255 HydrophobicContact CD1-CZ 3.94Å |
| 1237 | D | 89.5 | Confident | 84.3 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.053 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -21.3 | 179.3 | -65.9 | -19 | 0 | 0 | 0 | 112.8 | T1216 D1235 S1432 G1433 K1500 | T1216-D1237 PolarHBondContact OG1-O 3.13Å; D1235-D1237 PolarHBondContact O-N 3.07Å; D1235-D1237 WeakPolarHBondContact OD1-CB 3.21Å; D1235-D1237 PolarHBondContact OD1-N 3.4Å; D1237-S1432 WeakPolarHBondContact OD2-CA 3.36Å; D1237-S1432 WeakPolarHBondContact OD2-CB 3.42Å; D1237-S1432 PolarHBondContact OD2-OG 2.94Å; D1237-G1433 PolarHBondContact OD2-N 3.33Å; D1237-K1500 WeakPolarHBondContact OD1-CE 3.49Å; D1237-K1500 IonicContact OD1-NZ 3.49Å; D1237-K1500 PolarHBondContact OD1-NZ 3.06Å |
| 1238 | N | 89.9 | Confident | 82.8 | Confident | 48 Ų | 48 | 58.7 Ų | 58.7 | 26% | 0.257 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -138.5 | 60.4 | -174.6 | -53.2 | -70.4 | 0 | 0 | 0 | 110.7 | K269 L1214 D1235 R1240 | K269-N1238 PolarHBondContact NZ-OD1 3.4Å; L1214-N1238 HydrophobicContact CD2-CB 4.33Å; D1235-N1238 CarbonylContact O-C 3.57Å; D1235-N1238 PolarHBondContact O-N 3.26Å; D1235-N1238 PolarHBondContact OD1-N 3.38Å; D1235-N1238 PolarHBondContact OD2-ND2 3.36Å; N1238-R1240 PolarHBondContact O-N 3.06Å |
| 1239 | L | 89.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -78.8 | 114.8 | 178.1 | -68 | 172.6 | 0 | 0 | 0 | 110.3 | L266 L1215 L1217 Q1234 D1235 Y1244 V1251 | L266-L1239 HydrophobicContact CD2-CD1 4.12Å; L1215-L1239 HydrophobicContact CB-CB 4.13Å; L1215-L1239 PolarHBondContact N-O 2.68Å; L1215-L1239 PolarHBondContact O-N 3.22Å; L1217-L1239 HydrophobicContact CB-CD1 4.32Å; Q1234-L1239 HydrophobicContact CB-CD2 4.01Å; D1235-L1239 VanDerWaalsContact O-CD2 3.3Å; D1235-L1239 WeakPolarHBondContact O-CD2 3.19Å; D1235-L1239 WeakPolarHBondContact O-CG 3.45Å; D1235-L1239 PolarHBondContact O-N 3.08Å; L1239-Y1244 HydrophobicContact CD2-CE2 4.24Å; L1239-V1251 HydrophobicContact CD2-CG1 4.1Å |
| 1240 | R | 87.5 | Confident | 81.5 | Confident | 91 Ų | 91 | 62.7 Ų | 62.7 | 34% | 0.343 | 32% | 0.319 | S | S | . | . | trans | -124.2 | 103.3 | 169.7 | -174.2 | 165.6 | -177.7 | -123 | 6.2 | 109.1 | Q1212 N1238 V1242 D1243 Y1244 | Q1212-R1240 PolarHBondContact O-NE 3.14Å; N1238-R1240 PolarHBondContact O-N 3.06Å; R1240-V1242 VanDerWaalsContact C-N 3.28Å; R1240-V1242 PolarHBondContact O-N 2.9Å; R1240-D1243 WeakPolarHBondContact CD-OD2 3.45Å; R1240-D1243 IonicContact CZ-OD1 3.4Å; R1240-D1243 IonicContact NH1-OD1 2.66Å; R1240-D1243 PolarHBondContact NH1-OD1 2.92Å; R1240-D1243 IonicContact NH1-OD2 2.71Å; R1240-D1243 PolarHBondContact NH1-OD2 3.32Å; R1240-D1243 WeakPolarHBondContact O-CB 3.44Å; R1240-D1243 PolarHBondContact O-N 3.12Å; R1240-Y1244 WeakPolarHBondContact O-CD2 3.48Å; R1240-Y1244 WeakPolarHBondContact O-CE2 3.26Å | ||
| 1241 | L | 84.9 | Confident | 81.3 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -67.8 | -28.3 | -162.4 | -58 | 171.6 | 0 | 0 | 0 | 112.9 | N22 V24 L1209 G1211 L1215 D1243 Y1244 V1251 | N22-L1241 HydrophobicContact CB-CB 4.03Å; N22-L1241 HydrophobicContact CB-CD1 3.66Å; N22-L1241 HydrophobicContact CB-CG 4.41Å; V24-L1241 HydrophobicContact CG2-CD2 4.12Å; L1209-L1241 HydrophobicContact CB-CD1 3.53Å; L1209-L1241 HydrophobicContact CD1-CD1 3.8Å; L1209-L1241 HydrophobicContact CG-CD1 4.36Å; G1211-L1241 PolarHBondContact O-N 3.37Å; L1215-L1241 HydrophobicContact CD1-CD1 4.24Å; L1241-D1243 VanDerWaalsContact C-N 3.25Å; L1241-D1243 PolarHBondContact O-N 3.23Å; L1241-Y1244 HydrophobicContact CD2-CD2 4.41Å; L1241-Y1244 PolarHBondContact O-N 3.08Å; L1241-V1251 HydrophobicContact CD2-CG2 3.89Å |
| 1242 | V | 82.4 | Confident | 81.3 | Confident | 66 Ų | 66 | 58.2 Ų | 58.2 | 40% | 0.4 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -62.6 | -28.5 | 173.3 | 166 | 0 | 0 | 0 | 0 | 113.3 | G1211 Q1212 R1240 Y1244 | G1211-V1242 VanDerWaalsContact O-CG2 3.28Å; G1211-V1242 WeakPolarHBondContact O-CG2 3.08Å; G1211-V1242 PolarHBondContact O-N 3.32Å; Q1212-V1242 HydrophobicContact CG-CG2 4.19Å; R1240-V1242 VanDerWaalsContact C-N 3.28Å; R1240-V1242 PolarHBondContact O-N 2.9Å; V1242-Y1244 PolarHBondContact O-N 2.69Å |
| 1243 | D | 80.5 | Confident | 81.4 | Confident | 88 Ų | 88 | 58 Ų | 58 | 47% | 0.471 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -76.8 | -7.6 | -177.8 | -62.3 | -17.8 | 0 | 0 | 0 | 111.9 | R1240 L1241 | R1240-D1243 WeakPolarHBondContact CD-OD2 3.45Å; R1240-D1243 IonicContact CZ-OD1 3.4Å; R1240-D1243 IonicContact NH1-OD1 2.66Å; R1240-D1243 PolarHBondContact NH1-OD1 2.92Å; R1240-D1243 IonicContact NH1-OD2 2.71Å; R1240-D1243 PolarHBondContact NH1-OD2 3.32Å; R1240-D1243 WeakPolarHBondContact O-CB 3.44Å; R1240-D1243 PolarHBondContact O-N 3.12Å; L1241-D1243 VanDerWaalsContact C-N 3.25Å; L1241-D1243 PolarHBondContact O-N 3.23Å |
| 1244 | Y | 73.5 | Confident | 81.8 | Confident | 56 Ų | 56 | 54.3 Ų | 54.3 | 22% | 0.22 | 28% | 0.275 | C | S | . | . | trans | -106.1 | 103.3 | -176.3 | -55.3 | -55.7 | 0 | 0 | 0 | 111.9 | Q1234 L1239 R1240 L1241 V1242 S1246 V1251 | Q1234-Y1244 HydrophobicContact CB-CE1 4.34Å; Q1234-Y1244 HydrophobicContact CG-CD1 4.18Å; Q1234-Y1244 HydrophobicContact CG-CE1 3.87Å; Q1234-Y1244 HydrophobicContact CG-CE2 4.34Å; L1239-Y1244 HydrophobicContact CD2-CE2 4.24Å; R1240-Y1244 WeakPolarHBondContact O-CD2 3.48Å; R1240-Y1244 WeakPolarHBondContact O-CE2 3.26Å; L1241-Y1244 HydrophobicContact CD2-CD2 4.41Å; L1241-Y1244 PolarHBondContact O-N 3.08Å; V1242-Y1244 PolarHBondContact O-N 2.69Å; Y1244-S1246 VanDerWaalsContact C-N 3.33Å; Y1244-S1246 PolarHBondContact O-N 3.23Å; Y1244-V1251 HydrophobicContact CD2-CG2 4.34Å | ||
| 1245 | H | 63 | Low | 82.1 | Confident | 170 Ų | 170 | 53.3 Ų | 53.3 | 79% | 0.787 | 27% | 0.27 | S | S | * | . | trans | -92.5 | 47.3 | 174.7 | -58.8 | -54.6 | 0 | 0 | 0 | 112.8 | ||||
| 1246 | S | 60.7 | Low | 82.3 | Confident | 44 Ų | 44 | 54.4 Ų | 54.4 | 31% | 0.308 | 27% | 0.274 | S | S | . | . | trans | -70.7 | 140.2 | 169.3 | 59.4 | 0 | 0 | 0 | 0 | 109.2 | Y1244 Q1248 H1249 | Y1244-S1246 VanDerWaalsContact C-N 3.33Å; Y1244-S1246 PolarHBondContact O-N 3.23Å; S1246-Q1248 PolarHBondContact O-N 3.03Å; S1246-H1249 PolarHBondContact O-N 2.82Å; S1246-H1249 WeakPolarHBondContact OG-CA 3.45Å; S1246-H1249 PolarHBondContact OG-N 2.94Å | ||
| 1247 | T | 56.7 | Low | 82.5 | Confident | 121 Ų | 121 | 53.6 Ų | 53.6 | 74% | 0.742 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -14 | 175 | 47.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1248 | Q | 62.8 | Low | 82.6 | Confident | 129 Ų | 129 | 53.2 Ų | 53.2 | 60% | 0.603 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | -1.6 | -177.9 | -63.4 | -179 | -14.1 | 0 | 0 | 115.1 | R23 S1246 L1250 | R23-Q1248 PolarHBondContact NH2-O 3.09Å; S1246-Q1248 PolarHBondContact O-N 3.03Å; Q1248-L1250 HydrophobicContact CB-CB 4.47Å; Q1248-L1250 PolarHBondContact O-N 3.28Å |
| 1249 | H | 73.4 | Confident | 82.8 | Confident | 59 Ų | 59 | 52.2 Ų | 52.2 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | trans | 44.2 | 38.3 | -176.2 | -69.7 | -80.9 | 0 | 0 | 0 | 115.2 | L19 D21 R23 S1246 | L19-H1249 PolarHBondContact O-CD2 2.85Å; D21-H1249 WeakPolarHBondContact O-CB 3.48Å; R23-H1249 PolarHBondContact N-O 3.47Å; S1246-H1249 PolarHBondContact O-N 2.82Å; S1246-H1249 WeakPolarHBondContact OG-CA 3.45Å; S1246-H1249 PolarHBondContact OG-N 2.94Å | ||
| 1250 | L | 84.8 | Confident | 83 | Confident | 34 Ų | 34 | 52.4 Ų | 52.4 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.6 | -174.5 | 177.9 | 65.6 | 0 | 0 | 0 | 111 | R23 Y1205 Q1248 E1252 | R23-L1250 HydrophobicContact CB-CD1 3.76Å; Y1205-L1250 HydrophobicContact CE2-CD1 4.18Å; Q1248-L1250 HydrophobicContact CB-CB 4.47Å; Q1248-L1250 PolarHBondContact O-N 3.28Å; L1250-E1252 HydrophobicContact CD2-CG 3.91Å; L1250-E1252 HydrophobicContact CG-CG 3.97Å |
| 1251 | V | 89.4 | Confident | 83.2 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.024 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 123.5 | 169.1 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | R23 V24 S25 Q1234 L1239 L1241 Y1244 | R23-V1251 PolarHBondContact O-N 3.07Å; V24-V1251 CarbonylContact C-O 3.6Å; V24-V1251 WeakPolarHBondContact CA-O 3.21Å; V24-V1251 HydrophobicContact CG2-CB 4.17Å; S25-V1251 PolarHBondContact N-O 3.22Å; Q1234-V1251 HydrophobicContact CB-CG1 4.23Å; Q1234-V1251 HydrophobicContact CG-CG1 4.28Å; Q1234-V1251 HydrophobicContact CG-CG2 4.32Å; L1239-V1251 HydrophobicContact CD2-CG1 4.1Å; L1241-V1251 HydrophobicContact CD2-CG2 3.89Å; Y1244-V1251 HydrophobicContact CD2-CG2 4.34Å |
| 1252 | E | 91.3 | Very high | 83.5 | Confident | 102 Ų | 102 | 47.8 Ų | 47.8 | 48% | 0.477 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.2 | 176.6 | -66.3 | -167.6 | 142.8 | 0 | 0 | 111.7 | S25 L1250 | S25-E1252 WeakPolarHBondContact O-CA 3.25Å; L1250-E1252 HydrophobicContact CD2-CG 3.91Å; L1250-E1252 HydrophobicContact CG-CG 3.97Å |
| 1253 | A | 93.6 | Very high | 83.9 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 136.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S25 V26 T27 K1231 A1232 L1236 F1255 | S25-A1253 PolarHBondContact O-N 3.5Å; V26-A1253 WeakPolarHBondContact CA-O 3.23Å; V26-A1253 HydrophobicContact CG2-CB 4.41Å; T27-A1253 PolarHBondContact N-O 3.31Å; K1231-A1253 CarbonylContact O-C 3.55Å; K1231-A1253 WeakPolarHBondContact O-CA 3.31Å; A1232-A1253 HydrophobicContact CB-CB 4.41Å; L1236-A1253 HydrophobicContact CD1-CB 4.14Å; L1236-A1253 HydrophobicContact CD2-CB 3.97Å; A1253-F1255 HydrophobicContact CB-CE2 4.12Å |
| 1254 | V | 94.2 | Very high | 84.3 | Confident | 35 Ų | 35 | 40.5 Ų | 40.5 | 21% | 0.212 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127 | 174.3 | -170.7 | 0 | 0 | 0 | 0 | 109.4 | T27 V29 I1230 K1231 | T27-V1254 CarbonylContact O-C 3.6Å; T27-V1254 WeakPolarHBondContact O-CA 3.09Å; V29-V1254 HydrophobicContact CG1-CG1 4.43Å; V29-V1254 HydrophobicContact CG2-CG1 4.22Å; I1230-V1254 HydrophobicContact CD1-CG1 4.1Å; I1230-V1254 HydrophobicContact CG1-CB 4.31Å; I1230-V1254 HydrophobicContact CG1-CG1 4.12Å; I1230-V1254 WeakPolarHBondContact CG1-O 3.47Å; I1230-V1254 PolarHBondContact N-O 2.67Å; K1231-V1254 HydrophobicContact CB-CB 4.01Å; K1231-V1254 HydrophobicContact CB-CG2 4.23Å; K1231-V1254 HydrophobicContact CD-CG2 4.35Å; K1231-V1254 PolarHBondContact N-O 2.96Å; K1231-V1254 VanDerWaalsContact N-O 3.13Å; K1231-V1254 PolarHBondContact O-N 2.82Å |
| 1255 | F | 95.2 | Very high | 85 | Confident | 18 Ų | 18 | 40.1 Ų | 40.1 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 153.2 | 175.7 | -75.4 | -101.2 | 0 | 0 | 0 | 110.6 | V26 T27 L28 V29 L1217 M1219 V1227 A1228 A1229 L1236 A1253 | V26-F1255 HydrophobicContact CG1-CD2 3.69Å; V26-F1255 HydrophobicContact CG1-CE2 3.84Å; T27-F1255 PolarHBondContact O-N 2.9Å; L28-F1255 CarbonylContact C-O 3.51Å; L28-F1255 WeakPolarHBondContact CA-O 3.4Å; L28-F1255 HydrophobicContact CD1-CB 3.7Å; V29-F1255 WeakPolarHBondContact CG2-O 3.45Å; V29-F1255 PolarHBondContact N-O 2.81Å; L1217-F1255 HydrophobicContact CD2-CE2 3.71Å; L1217-F1255 HydrophobicContact CD2-CZ 3.48Å; L1217-F1255 VanDerWaalsContact CD2-CZ 3.48Å; M1219-F1255 HydrophobicContact CE-CB 4.26Å; M1219-F1255 HydrophobicContact CE-CD2 4.44Å; M1219-F1255 HydrophobicContact CE-CG 4.16Å; M1219-F1255 HydrophobicContact CG-CD1 3.86Å; M1219-F1255 HydrophobicContact CG-CE1 3.67Å; M1219-F1255 HydrophobicContact CG-CE2 4.41Å; M1219-F1255 HydrophobicContact CG-CG 4.3Å; M1219-F1255 HydrophobicContact CG-CZ 3.98Å; M1219-F1255 HydrophobicContact SD-CD1 4.21Å; M1219-F1255 HydrophobicContact SD-CD2 3.92Å; M1219-F1255 HydrophobicContact SD-CE1 4.26Å; M1219-F1255 HydrophobicContact SD-CE2 4Å; M1219-F1255 HydrophobicContact SD-CG 4.03Å; M1219-F1255 HydrophobicContact SD-CZ 4.17Å; V1227-F1255 HydrophobicContact CG1-CB 3.81Å; V1227-F1255 HydrophobicContact CG1-CD1 3.79Å; V1227-F1255 HydrophobicContact CG1-CG 4.21Å; A1228-F1255 VanDerWaalsContact C-CD1 3.47Å; A1228-F1255 CarbonylContact O-C 3.56Å; A1228-F1255 WeakPolarHBondContact O-CA 3.41Å; A1229-F1255 HydrophobicContact CB-CD1 4Å; A1229-F1255 HydrophobicContact CB-CE1 3.68Å; A1229-F1255 HydrophobicContact CB-CE2 4.39Å; A1229-F1255 HydrophobicContact CB-CG 4.49Å; A1229-F1255 HydrophobicContact CB-CZ 3.88Å; L1236-F1255 HydrophobicContact CD1-CE2 4.16Å; L1236-F1255 HydrophobicContact CD1-CZ 3.94Å; A1253-F1255 HydrophobicContact CB-CE2 4.12Å |
| 1256 | E | 94.4 | Very high | 86.2 | Confident | 41 Ų | 41 | 32 Ų | 32 | 19% | 0.192 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133.5 | 175 | -173.7 | 179.2 | -121.8 | 0 | 0 | 110.4 | V29 K31 V1227 A1228 I1230 E1258 | V29-E1256 CarbonylContact O-C 3.55Å; V29-E1256 WeakPolarHBondContact O-CA 3.34Å; K31-E1256 WeakPolarHBondContact CA-OE1 3.47Å; K31-E1256 HydrophobicContact CB-CG 4.25Å; V1227-E1256 VanDerWaalsContact CA-O 3.29Å; V1227-E1256 WeakPolarHBondContact CA-O 3.38Å; A1228-E1256 PolarHBondContact N-O 3.02Å; A1228-E1256 PolarHBondContact O-N 2.85Å; I1230-E1256 HydrophobicContact CB-CB 4.49Å; I1230-E1256 HydrophobicContact CD1-CB 4.1Å; I1230-E1256 HydrophobicContact CG1-CB 4.2Å; I1230-E1256 HydrophobicContact CG2-CB 3.52Å; E1256-E1258 HydrophobicContact CB-CG 4.49Å; E1256-E1258 HydrophobicContact CG-CG 4.38Å; E1256-E1258 PolarHBondContact O-N 2.85Å |
| 1257 | L | 95 | Very high | 87.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 102.4 | 163 | 172 | 64.2 | 0 | 0 | 0 | 108 | L28 V29 K31 W32 L259 W1225 V1227 Y1259 L1260 F1348 | L28-L1257 HydrophobicContact CD1-CB 4.38Å; V29-L1257 PolarHBondContact O-N 2.92Å; K31-L1257 WeakPolarHBondContact CB-O 3.42Å; K31-L1257 PolarHBondContact N-O 3.38Å; W32-L1257 HydrophobicContact CH2-CD2 3.85Å; W32-L1257 HydrophobicContact CZ3-CD2 4.32Å; L259-L1257 HydrophobicContact CD1-CB 3.95Å; L259-L1257 HydrophobicContact CD1-CD2 3.69Å; L259-L1257 HydrophobicContact CD1-CG 4.48Å; W1225-L1257 HydrophobicContact CB-CD1 3.55Å; W1225-L1257 HydrophobicContact CD2-CD1 3.76Å; W1225-L1257 HydrophobicContact CD2-CD2 3.94Å; W1225-L1257 HydrophobicContact CD2-CG 4.47Å; W1225-L1257 HydrophobicContact CE3-CD1 3.92Å; W1225-L1257 HydrophobicContact CE3-CD2 4.01Å; W1225-L1257 HydrophobicContact CE3-CG 4.43Å; W1225-L1257 HydrophobicContact CG-CD1 3.63Å; W1225-L1257 HydrophobicContact CG-CD2 4.48Å; W1225-L1257 HydrophobicContact CH2-CD2 4.37Å; W1225-L1257 HydrophobicContact CZ2-CD2 4.31Å; W1225-L1257 HydrophobicContact CZ3-CD2 4.23Å; V1227-L1257 HydrophobicContact CG2-CD1 4.13Å; L1257-Y1259 WeakPolarHBondContact CD1-O 3.49Å; L1257-L1260 HydrophobicContact CD1-CD2 4.46Å; L1257-L1260 HydrophobicContact CD2-CD2 4.25Å; L1257-F1348 HydrophobicContact CD2-CD1 4.11Å; L1257-F1348 HydrophobicContact CD2-CE1 3.77Å |
| 1258 | E | 92.2 | Very high | 88.7 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -34.7 | -171.7 | -58.6 | -166 | 158.4 | 0 | 0 | 112.9 | K31 M1226 A1228 E1256 N1307 K1461 Q1487 | K31-E1258 WeakPolarHBondContact CD-O 3.19Å; M1226-E1258 PolarHBondContact O-N 2.84Å; A1228-E1258 HydrophobicContact CB-CG 4.39Å; A1228-E1258 WeakPolarHBondContact CB-OE1 3.49Å; E1256-E1258 HydrophobicContact CB-CG 4.49Å; E1256-E1258 HydrophobicContact CG-CG 4.38Å; E1256-E1258 PolarHBondContact O-N 2.85Å; E1258-N1307 PolarHBondContact O-OD1 3.34Å; E1258-K1461 WeakPolarHBondContact OE1-CE 3.08Å; E1258-K1461 IonicContact OE1-NZ 3.06Å; E1258-K1461 PolarHBondContact OE1-NZ 2.78Å; E1258-K1461 IonicContact OE2-NZ 3.05Å; E1258-K1461 PolarHBondContact OE2-NZ 3.11Å; E1258-Q1487 PolarHBondContact OE2-NE2 2.94Å; E1258-Q1487 PolarHBondContact OE2-OE1 3.39Å |
| 1259 | Y | 93.8 | Very high | 89.2 | Confident | 27 Ų | 27 | 25.5 Ų | 25.5 | 11% | 0.106 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 152.1 | -174.5 | -55 | -73.7 | 0 | 0 | 0 | 111.8 | K31 M1226 L1257 Y1291 K1305 A1306 | K31-Y1259 PolarHBondContact NZ-OH 3.43Å; M1226-Y1259 HydrophobicContact CE-CD2 3.81Å; M1226-Y1259 HydrophobicContact CE-CG 3.85Å; M1226-Y1259 PolarHBondContact N-O 3.42Å; L1257-Y1259 WeakPolarHBondContact CD1-O 3.49Å; Y1259-Y1291 WeakPolarHBondContact CE1-OH 3.45Å; Y1259-K1305 HydrophobicContact CD1-CB 4.02Å; Y1259-K1305 HydrophobicContact CD2-CB 4.49Å; Y1259-K1305 HydrophobicContact CD2-CD 4.24Å; Y1259-K1305 HydrophobicContact CE2-CD 4.31Å; Y1259-K1305 HydrophobicContact CG-CB 4Å; Y1259-A1306 CarbonylContact C-O 3.45Å; Y1259-A1306 WeakPolarHBondContact CA-O 3.32Å |
| 1260 | L | 93.1 | Very high | 88.9 | Confident | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 138.5 | 164 | -64.7 | 170.5 | 0 | 0 | 0 | 108.8 | G1224 W1225 L1257 A1306 P1308 I1345 F1348 | G1224-L1260 CarbonylContact O-C 3.55Å; G1224-L1260 WeakPolarHBondContact O-CA 3.46Å; W1225-L1260 VanDerWaalsContact CD1-CD2 3.47Å; W1225-L1260 HydrophobicContact CG-CD2 4.25Å; L1257-L1260 HydrophobicContact CD1-CD2 4.46Å; L1257-L1260 HydrophobicContact CD2-CD2 4.25Å; L1260-A1306 PolarHBondContact N-O 3.05Å; L1260-A1306 CarbonylContact O-C 3.46Å; L1260-A1306 WeakPolarHBondContact O-CA 3.5Å; L1260-A1306 PolarHBondContact O-N 3.34Å; L1260-P1308 HydrophobicContact CD1-CG 4.24Å; L1260-I1345 HydrophobicContact CB-CG2 3.9Å; L1260-I1345 HydrophobicContact CD1-CG2 3.56Å; L1260-I1345 HydrophobicContact CG-CG2 4.38Å; L1260-F1348 HydrophobicContact CD2-CD1 4.28Å |
| 1261 | L | 91.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 132.9 | -176.6 | -67.7 | 172.4 | 0 | 0 | 0 | 112.1 | G1224 M1226 E1263 K1351 K1489 | G1224-L1261 WeakPolarHBondContact O-CG 3.41Å; G1224-L1261 PolarHBondContact O-N 3.03Å; M1226-L1261 HydrophobicContact CE-CD2 3.4Å; M1226-L1261 HydrophobicContact CE-CG 4.3Å; M1226-L1261 HydrophobicContact CG-CD2 4.11Å; M1226-L1261 HydrophobicContact CG-CG 4.35Å; M1226-L1261 HydrophobicContact SD-CD2 3.88Å; L1261-E1263 HydrophobicContact CB-CG 4.15Å; L1261-K1351 PolarHBondContact O-N 2.56Å; L1261-K1489 HydrophobicContact CD1-CB 3.5Å; L1261-K1489 VanDerWaalsContact CD1-CB 3.5Å; L1261-K1489 HydrophobicContact CD1-CD 4.33Å; L1261-K1489 HydrophobicContact CD1-CG 3.64Å; L1261-K1489 HydrophobicContact CD2-CB 4.39Å |
| 1262 | L | 92.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 110.2 | 158.8 | 174.6 | 60.7 | 0 | 0 | 0 | 107.6 | L1282 Q1303 L1304 T1343 K1351 I1353 | L1262-L1282 HydrophobicContact CD2-CD1 3.62Å; L1262-L1282 HydrophobicContact CD2-CD2 4.11Å; L1262-Q1303 CarbonylContact O-C 3.56Å; L1262-Q1303 VanDerWaalsContact O-CA 3.29Å; L1262-Q1303 WeakPolarHBondContact O-CA 3.34Å; L1262-L1304 HydrophobicContact CB-CB 4.45Å; L1262-L1304 PolarHBondContact N-O 2.89Å; L1262-L1304 PolarHBondContact O-N 3.03Å; L1262-T1343 HydrophobicContact CD1-CG2 3.7Å; L1262-K1351 HydrophobicContact CD1-CB 4.19Å; L1262-K1351 HydrophobicContact CD1-CG 3.97Å; L1262-I1353 HydrophobicContact CD1-CD1 4.15Å; L1262-I1353 HydrophobicContact CD1-CG1 4.27Å; L1262-I1353 HydrophobicContact CD1-CG2 4.31Å |
| 1263 | E | 90 | Very high | 86.7 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 157.5 | 177 | -53.2 | -176.4 | -121.7 | 0 | 0 | 109.7 | H1223 L1261 Y1301 F1302 Q1303 K1351 I1352 I1353 R1492 | H1223-E1263 IonicContact CD2-OE1 2.8Å; L1261-E1263 HydrophobicContact CB-CG 4.15Å; E1263-Y1301 HydrophobicContact CB-CE2 4.25Å; E1263-Y1301 WeakPolarHBondContact OE2-CE2 3.41Å; E1263-Y1301 PolarHBondContact OE2-OH 3.19Å; E1263-F1302 CarbonylContact C-O 3.55Å; E1263-F1302 WeakPolarHBondContact CA-O 3.47Å; E1263-Q1303 HydrophobicContact CG-CB 4.39Å; E1263-K1351 PolarHBondContact N-O 3.06Å; E1263-I1352 HydrophobicContact CB-CD1 4.24Å; E1263-I1352 HydrophobicContact CB-CG1 4.08Å; E1263-I1352 VanDerWaalsContact O-CA 3.28Å; E1263-I1352 WeakPolarHBondContact O-CA 3.47Å; E1263-I1353 PolarHBondContact O-N 3.43Å; E1263-R1492 IonicContact OE1-CZ 2.84Å; E1263-R1492 IonicContact OE1-NE 3.23Å; E1263-R1492 PolarHBondContact OE1-NE 3.48Å; E1263-R1492 IonicContact OE1-NH2 3.46Å; E1263-R1492 IonicContact OE2-NE 3.82Å |
| 1264 | G | 88.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.8 | 168.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y1301 F1302 I1353 | G1264-Y1301 CarbonylContact O-C 3.58Å; G1264-Y1301 WeakPolarHBondContact O-CA 3.45Å; G1264-F1302 PolarHBondContact N-O 3.32Å; G1264-F1302 WeakPolarHBondContact O-CD1 3.44Å; G1264-F1302 PolarHBondContact O-N 3.36Å; G1264-I1353 CarbonylContact C-O 3.58Å; G1264-I1353 WeakPolarHBondContact CA-O 3.3Å |
| 1265 | H | 87.8 | Confident | 86 | Confident | 47 Ų | 47 | 32 Ų | 32 | 22% | 0.218 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 127.6 | 178.1 | -65.2 | -77.6 | 0 | 0 | 0 | 109.4 | L1299 G1300 I1353 E1354 V1355 | H1265-L1299 PolarHBondContact ND1-O 3.01Å; H1265-G1300 CarbonylContact C-O 3.52Å; H1265-G1300 WeakPolarHBondContact CA-O 3.12Å; H1265-I1353 PolarHBondContact N-O 3.17Å; H1265-E1354 HydrophobicContact CB-CG 4.45Å; H1265-E1354 CarbonylContact O-C 3.56Å; H1265-E1354 WeakPolarHBondContact O-CA 3.39Å; H1265-V1355 PolarHBondContact O-N 3.23Å |
| 1266 | C | 89.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 130.5 | 179 | -170 | 0 | 0 | 0 | 0 | 111.7 | P1275 F1280 V1295 G1300 F1302 V1355 | C1266-P1275 HydrophobicContact CB-CG 4.28Å; C1266-P1275 VanDerWaalsContact O-CD 3.26Å; C1266-P1275 WeakPolarHBondContact O-CD 3.31Å; C1266-P1275 VanDerWaalsContact SG-CG 3.52Å; C1266-F1280 HydrophobicContact CB-CE2 4.15Å; C1266-F1280 HydrophobicContact CB-CZ 4.48Å; C1266-V1295 HydrophobicContact CB-CG1 4Å; C1266-V1295 HydrophobicContact CB-CG2 3.95Å; C1266-G1300 PolarHBondContact N-O 3.48Å; C1266-G1300 WeakPolarHBondContact O-CA 3.44Å; C1266-F1302 HydrophobicContact CB-CD1 4.28Å; C1266-F1302 HydrophobicContact CB-CE1 4.23Å; C1266-V1355 CarbonylContact C-O 3.58Å; C1266-V1355 WeakPolarHBondContact CA-O 3.37Å; C1266-V1355 PolarHBondContact SG-O 3.35Å |
| 1267 | M | 83.9 | Confident | 85.3 | Confident | 56 Ų | 56 | 35.7 Ų | 35.7 | 28% | 0.276 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 139.3 | -178.7 | -71 | -71.1 | -76.1 | 0 | 0 | 110.9 | M1272 P1274 V1355 S1356 V1357 | M1267-M1272 VanDerWaalsContact CE-C 3.45Å; M1267-M1272 HydrophobicContact CE-CB 4.29Å; M1267-M1272 HydrophobicContact CE-CE 4.05Å; M1267-M1272 WeakPolarHBondContact CE-O 3.15Å; M1267-P1274 HydrophobicContact SD-CG 4.17Å; M1267-V1355 PolarHBondContact N-O 3.13Å; M1267-S1356 CarbonylContact O-C 3.56Å; M1267-S1356 VanDerWaalsContact O-CA 3.31Å; M1267-S1356 WeakPolarHBondContact O-CA 3.42Å; M1267-V1357 PolarHBondContact O-N 3.13Å |
| 1268 | E | 85.1 | Confident | 85.2 | Confident | 28 Ų | 28 | 35.7 Ų | 35.7 | 13% | 0.131 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 118.1 | 169.5 | -177.2 | 172.4 | 168.4 | 0 | 0 | 109.4 | G1270 S1271 M1272 K1273 Y1324 V1357 | E1268-G1270 PolarHBondContact O-N 2.81Å; E1268-S1271 PolarHBondContact O-N 2.86Å; E1268-M1272 WeakPolarHBondContact O-CA 3.33Å; E1268-M1272 PolarHBondContact O-N 2.85Å; E1268-K1273 WeakPolarHBondContact CB-O 3.43Å; E1268-K1273 PolarHBondContact N-O 3.38Å; E1268-Y1324 HydrophobicContact CG-CE1 4.13Å; E1268-Y1324 WeakPolarHBondContact OE2-CE1 3.3Å; E1268-Y1324 PolarHBondContact OE2-OH 3.08Å; E1268-V1357 CarbonylContact C-O 3.49Å; E1268-V1357 VanDerWaalsContact CA-O 3.26Å; E1268-V1357 WeakPolarHBondContact CA-O 3.46Å; E1268-V1357 HydrophobicContact CB-CG2 4.48Å |
| 1269 | E | 73.1 | Confident | 85.3 | Confident | 73 Ų | 73 | 38 Ų | 38 | 34% | 0.341 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -40.4 | -169.9 | -131.3 | 177 | -125.1 | 0 | 0 | 112.6 | S1327 V1357 N1358 | E1269-S1327 WeakPolarHBondContact OE1-CB 3.23Å; E1269-S1327 PolarHBondContact OE1-OG 3.36Å; E1269-V1357 PolarHBondContact N-O 2.93Å; E1269-N1358 WeakPolarHBondContact CB-OD1 3.12Å; E1269-N1358 PolarHBondContact OE2-ND2 2.96Å |
| 1270 | G | 67.1 | Low | 85.3 | Confident | 71 Ų | 71 | 36.7 Ų | 36.7 | 73% | 0.732 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -35.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E1268 | E1268-G1270 PolarHBondContact O-N 2.81Š|
| 1271 | S | 72 | Confident | 85.3 | Confident | 51 Ų | 51 | 37 Ų | 37 | 36% | 0.357 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -9.4 | -177.7 | 69.4 | 0 | 0 | 0 | 0 | 114.5 | E1268 K1273 | E1268-S1271 PolarHBondContact O-N 2.86Å; S1271-K1273 PolarHBondContact O-N 2.88Å; S1271-K1273 VanDerWaalsContact O-N 3.15Å |
| 1272 | M | 70.5 | Confident | 85.4 | Confident | 68 Ų | 68 | 36.9 Ų | 36.9 | 34% | 0.335 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 37.5 | -171 | -65.8 | -62.4 | -69.4 | 0 | 0 | 113.1 | M1267 E1268 | M1267-M1272 VanDerWaalsContact CE-C 3.45Å; M1267-M1272 HydrophobicContact CE-CB 4.29Å; M1267-M1272 HydrophobicContact CE-CE 4.05Å; M1267-M1272 WeakPolarHBondContact CE-O 3.15Å; E1268-M1272 WeakPolarHBondContact O-CA 3.33Å; E1268-M1272 PolarHBondContact O-N 2.85Å |
| 1273 | K | 77.1 | Confident | 85.3 | Confident | 143 Ų | 143 | 37 Ų | 37 | 62% | 0.622 | 20% | 0.199 | S | C | * | . | B | Isolated β-bridge | trans | -120.7 | 148.3 | 178.8 | -74 | 175 | -174.2 | 175 | 0 | 109.6 | E1268 S1271 | E1268-K1273 WeakPolarHBondContact CB-O 3.43Å; E1268-K1273 PolarHBondContact N-O 3.38Å; S1271-K1273 PolarHBondContact O-N 2.88Å; S1271-K1273 VanDerWaalsContact O-N 3.15Å |
| 1274 | P | 83.2 | Confident | 85.1 | Confident | 38 Ų | 38 | 37.9 Ų | 37.9 | 25% | 0.247 | 21% | 0.205 | C | C | . | . | trans | -57.7 | 125.7 | 170.4 | -31.6 | 41 | 0 | 0 | 0 | 112.2 | M1267 R1276 A1297 | M1267-P1274 HydrophobicContact SD-CG 4.17Å; P1274-R1276 PolarHBondContact O-N 3.28Å; P1274-A1297 WeakPolarHBondContact CB-O 3.38Å; P1274-A1297 WeakPolarHBondContact CG-O 3.29Å | ||
| 1275 | P | 89.5 | Confident | 84.9 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.019 | 22% | 0.216 | C | C | . | . | trans | -76.5 | 71.1 | 175.9 | 33.4 | -35.1 | 0 | 0 | 0 | 110 | C1266 G1277 L1278 V1295 Y1324 V1357 | C1266-P1275 HydrophobicContact CB-CG 4.28Å; C1266-P1275 VanDerWaalsContact O-CD 3.26Å; C1266-P1275 WeakPolarHBondContact O-CD 3.31Å; C1266-P1275 VanDerWaalsContact SG-CG 3.52Å; P1275-G1277 PolarHBondContact O-N 3.26Å; P1275-L1278 HydrophobicContact CB-CB 4.24Å; P1275-L1278 HydrophobicContact CB-CD2 4.43Å; P1275-L1278 HydrophobicContact CG-CB 4.31Å; P1275-L1278 HydrophobicContact CG-CD2 3.97Å; P1275-L1278 WeakPolarHBondContact O-CB 3.2Å; P1275-L1278 PolarHBondContact O-N 3.3Å; P1275-V1295 HydrophobicContact CG-CG1 4.37Å; P1275-Y1324 HydrophobicContact CB-CE1 4.08Å; P1275-V1357 HydrophobicContact CB-CG2 4.12Å; P1275-V1357 HydrophobicContact CG-CG2 3.73Å | ||
| 1276 | R | 86.7 | Confident | 84.5 | Confident | 122 Ų | 122 | 39.9 Ų | 39.9 | 46% | 0.46 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 133.4 | -174.1 | 67.1 | 177.2 | -176.1 | -172.6 | 0.3 | 112.1 | P1274 L1278 A1297 L1369 | P1274-R1276 PolarHBondContact O-N 3.28Å; R1276-L1278 VanDerWaalsContact C-N 3.29Å; R1276-A1297 HydrophobicContact CB-CB 4.02Å; R1276-L1369 HydrophobicContact CG-CD1 3.96Å |
| 1277 | G | 88.7 | Confident | 84.1 | Confident | 13 Ų | 13 | 45.9 Ų | 45.9 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -2.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | P1275 Q1279 V1295 | P1275-G1277 PolarHBondContact O-N 3.26Å; G1277-Q1279 WeakPolarHBondContact O-CG 3.29Å; G1277-Q1279 PolarHBondContact O-N 3.28Å; G1277-V1295 PolarHBondContact N-O 3.34Å |
| 1278 | L | 92.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -56.7 | 136.8 | 168.4 | -177.9 | 72.5 | 0 | 0 | 0 | 109.4 | P1275 R1276 F1280 I1294 V1295 I1315 Y1324 V1357 M1368 | P1275-L1278 HydrophobicContact CB-CB 4.24Å; P1275-L1278 HydrophobicContact CB-CD2 4.43Å; P1275-L1278 HydrophobicContact CG-CB 4.31Å; P1275-L1278 HydrophobicContact CG-CD2 3.97Å; P1275-L1278 WeakPolarHBondContact O-CB 3.2Å; P1275-L1278 PolarHBondContact O-N 3.3Å; R1276-L1278 VanDerWaalsContact C-N 3.29Å; L1278-F1280 HydrophobicContact CD2-CE1 4.32Å; L1278-F1280 HydrophobicContact CD2-CE2 4.08Å; L1278-F1280 HydrophobicContact CD2-CZ 3.74Å; L1278-I1294 CarbonylContact O-C 3.44Å; L1278-I1294 VanDerWaalsContact O-CA 3.3Å; L1278-I1294 WeakPolarHBondContact O-CA 3.44Å; L1278-V1295 HydrophobicContact CB-CB 4.12Å; L1278-V1295 HydrophobicContact CB-CG2 3.91Å; L1278-V1295 HydrophobicContact CD2-CG2 4.26Å; L1278-V1295 HydrophobicContact CG-CG2 4.4Å; L1278-V1295 PolarHBondContact O-N 3.34Å; L1278-I1315 HydrophobicContact CD1-CG2 4.15Å; L1278-Y1324 HydrophobicContact CD1-CD2 3.81Å; L1278-Y1324 HydrophobicContact CD1-CG 4.07Å; L1278-V1357 HydrophobicContact CD2-CG1 4.03Å; L1278-V1357 HydrophobicContact CD2-CG2 4.35Å; L1278-M1368 HydrophobicContact CB-SD 4.17Å; L1278-M1368 HydrophobicContact CD1-SD 4.08Å | ||
| 1279 | Q | 93.9 | Very high | 84.2 | Confident | 52 Ų | 52 | 49.7 Ų | 49.7 | 24% | 0.243 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.9 | -173.2 | -54.7 | -177.2 | -5.1 | 0 | 0 | 110.4 | G1277 T1293 I1294 R1316 S1320 L1518 | G1277-Q1279 WeakPolarHBondContact O-CG 3.29Å; G1277-Q1279 PolarHBondContact O-N 3.28Å; Q1279-T1293 WeakPolarHBondContact CA-O 3.48Å; Q1279-I1294 HydrophobicContact CG-CG2 3.95Å; Q1279-R1316 HydrophobicContact CB-CB 3.78Å; Q1279-R1316 PolarHBondContact O-N 2.87Å; Q1279-S1320 PolarHBondContact N-OG 2.71Å; Q1279-L1518 HydrophobicContact CB-CD1 4Å; Q1279-L1518 HydrophobicContact CG-CD1 4.04Å |
| 1280 | F | 94.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 152.8 | 175.5 | -75.3 | -61.2 | 0 | 0 | 0 | 111.5 | C1266 L1278 D1292 T1293 V1295 F1302 L1313 N1314 I1315 V1355 | C1266-F1280 HydrophobicContact CB-CE2 4.15Å; C1266-F1280 HydrophobicContact CB-CZ 4.48Å; L1278-F1280 HydrophobicContact CD2-CE1 4.32Å; L1278-F1280 HydrophobicContact CD2-CE2 4.08Å; L1278-F1280 HydrophobicContact CD2-CZ 3.74Å; F1280-D1292 WeakPolarHBondContact O-CA 3.37Å; F1280-T1293 HydrophobicContact CB-CG2 4.23Å; F1280-T1293 PolarHBondContact N-O 2.77Å; F1280-T1293 PolarHBondContact O-N 3.03Å; F1280-V1295 HydrophobicContact CD2-CG2 3.67Å; F1280-V1295 HydrophobicContact CE2-CG2 3.37Å; F1280-V1295 HydrophobicContact CZ-CG2 4.46Å; F1280-F1302 HydrophobicContact CD2-CD1 4.18Å; F1280-F1302 HydrophobicContact CD2-CD2 4.3Å; F1280-F1302 HydrophobicContact CD2-CE1 4.41Å; F1280-F1302 HydrophobicContact CD2-CG 4.11Å; F1280-F1302 AromaticContact CE2-CD1 3.97Å; F1280-F1302 HydrophobicContact CE2-CD1 3.97Å; F1280-F1302 AromaticContact CE2-CE1 3.97Å; F1280-F1302 HydrophobicContact CE2-CE1 3.97Å; F1280-F1302 HydrophobicContact CE2-CG 4.37Å; F1280-F1302 HydrophobicContact CE2-CZ 4.39Å; F1280-L1313 HydrophobicContact CB-CD1 4Å; F1280-L1313 HydrophobicContact CD1-CD1 4.23Å; F1280-L1313 HydrophobicContact CD1-CD2 4.38Å; F1280-L1313 HydrophobicContact CD1-CG 4.14Å; F1280-L1313 HydrophobicContact CE1-CD2 4.44Å; F1280-L1313 HydrophobicContact CG-CD1 4.18Å; F1280-N1314 CarbonylContact C-O 3.59Å; F1280-N1314 WeakPolarHBondContact CA-O 3.45Å; F1280-I1315 HydrophobicContact CD1-CG1 4.38Å; F1280-I1315 HydrophobicContact CE1-CG1 3.94Å; F1280-V1355 HydrophobicContact CZ-CG1 4.17Å |
| 1281 | T | 93.7 | Very high | 86.1 | Confident | 9 Ų | 9 | 49.5 Ų | 49.5 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.6 | 171.7 | 50.9 | 0 | 0 | 0 | 0 | 110 | I1289 Y1291 D1292 N1314 R1316 | T1281-I1289 HydrophobicContact CG2-CD1 4.08Å; T1281-I1289 HydrophobicContact CG2-CG1 4.1Å; T1281-I1289 HydrophobicContact CG2-CG2 3.7Å; T1281-Y1291 CarbonylContact C-O 3.52Å; T1281-Y1291 WeakPolarHBondContact CA-O 3.44Å; T1281-D1292 HydrophobicContact CG2-CB 4.32Å; T1281-N1314 PolarHBondContact N-O 3.03Å; T1281-N1314 PolarHBondContact O-N 3.26Å; T1281-N1314 PolarHBondContact OG1-O 2.86Å; T1281-R1316 HydrophobicContact CG2-CB 3.85Å; T1281-R1316 HydrophobicContact CG2-CG 3.72Å |
| 1282 | L | 93.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 138.4 | 176.4 | -162.2 | 72.3 | 0 | 0 | 0 | 110.2 | L1262 E1290 Y1291 L1304 A1306 W1311 H1312 L1313 | L1262-L1282 HydrophobicContact CD2-CD1 3.62Å; L1262-L1282 HydrophobicContact CD2-CD2 4.11Å; L1282-E1290 PolarHBondContact O-N 3.15Å; L1282-Y1291 PolarHBondContact N-O 2.91Å; L1282-Y1291 PolarHBondContact O-N 3.46Å; L1282-Y1291 VanDerWaalsContact O-N 3.15Å; L1282-L1304 HydrophobicContact CB-CB 4.48Å; L1282-L1304 HydrophobicContact CB-CD1 4.01Å; L1282-L1304 HydrophobicContact CB-CD2 4.09Å; L1282-L1304 HydrophobicContact CB-CG 4.4Å; L1282-L1304 HydrophobicContact CD1-CD1 4.34Å; L1282-L1304 HydrophobicContact CD2-CB 3.89Å; L1282-A1306 HydrophobicContact CD2-CB 4.31Å; L1282-W1311 HydrophobicContact CD1-CB 3.77Å; L1282-W1311 HydrophobicContact CD2-CB 4.25Å; L1282-W1311 HydrophobicContact CD2-CD2 4.04Å; L1282-W1311 HydrophobicContact CD2-CE3 3.76Å; L1282-W1311 HydrophobicContact CD2-CG 4.27Å; L1282-W1311 HydrophobicContact CD2-CZ3 4.44Å; L1282-W1311 HydrophobicContact CG-CB 4.04Å; L1282-W1311 HydrophobicContact CG-CD2 4.31Å; L1282-W1311 HydrophobicContact CG-CE3 3.78Å; L1282-W1311 HydrophobicContact CG-CG 4.46Å; L1282-H1312 WeakPolarHBondContact CA-O 3.43Å; L1282-L1313 HydrophobicContact CD1-CB 4.22Å; L1282-L1313 HydrophobicContact CD1-CD1 4.11Å |
| 1283 | G | 91.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 169.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1285 T1288 H1312 | G1283-T1285 PolarHBondContact O-N 2.99Å; G1283-T1288 WeakPolarHBondContact CA-O 3.27Å; G1283-H1312 PolarHBondContact N-O 3.1Å; G1283-H1312 PolarHBondContact O-N 3.02Å |
| 1284 | P | 85.6 | Confident | 89 | Confident | 20 Ų | 20 | 39.6 Ų | 39.6 | 13% | 0.13 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -72.1 | -15.7 | -177.8 | 28.6 | -36.6 | 0 | 0 | 0 | 113.8 | R148 T1288 H1312 | R148-P1284 VanDerWaalsContact NH1-CB 3.29Å; P1284-T1288 WeakPolarHBondContact CD-OG1 3.07Å; P1284-H1312 PolarHBondContact O-CD2 3.1Å |
| 1285 | T | 83.6 | Confident | 89.5 | Confident | 37 Ų | 37 | 37.8 Ų | 37.8 | 23% | 0.227 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -134.2 | 163.8 | 173.7 | 73.8 | 0 | 0 | 0 | 0 | 109.4 | T138 G1283 T1287 T1288 | T138-T1285 HydrophobicContact CG2-CG2 4.33Å; G1283-T1285 PolarHBondContact O-N 2.99Å; T1285-T1287 PolarHBondContact O-N 3.45Å; T1285-T1287 VanDerWaalsContact O-N 3.11Å; T1285-T1288 PolarHBondContact N-OG1 3.28Å; T1285-T1288 PolarHBondContact O-N 3.44Å; T1285-T1288 PolarHBondContact O-OG1 2.97Å; T1285-T1288 WeakPolarHBondContact OG1-CB 3.24Å; T1285-T1288 WeakPolarHBondContact OG1-CG2 3.37Å; T1285-T1288 PolarHBondContact OG1-N 3.23Å; T1285-T1288 PolarHBondContact OG1-OG1 3.4Å |
| 1286 | P | 80.2 | Confident | 89.6 | Confident | 52 Ų | 52 | 37.7 Ų | 37.7 | 34% | 0.338 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -59.5 | -25.8 | -178.5 | -24.5 | 33.5 | 0 | 0 | 0 | 114.7 | N1314 E1340 | P1286-N1314 PolarHBondContact O-ND2 3.21Å; P1286-E1340 WeakPolarHBondContact CG-OE1 3.45Å; P1286-E1340 VanDerWaalsContact CG-OE2 3.26Å; P1286-E1340 WeakPolarHBondContact CG-OE2 3.36Å |
| 1287 | T | 80.8 | Confident | 89.4 | Confident | 126 Ų | 126 | 33.2 Ų | 33.2 | 77% | 0.773 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -100.6 | -21.6 | -174.3 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | T1285 | T1285-T1287 PolarHBondContact O-N 3.45Å; T1285-T1287 VanDerWaalsContact O-N 3.11Å |
| 1288 | T | 84.1 | Confident | 89 | Confident | 57 Ų | 57 | 35.1 Ų | 35.1 | 35% | 0.35 | 20% | 0.196 | S | C | . | . | trans | -81.6 | 131 | 180 | 49.8 | 0 | 0 | 0 | 0 | 110.8 | G1283 P1284 T1285 | G1283-T1288 WeakPolarHBondContact CA-O 3.27Å; P1284-T1288 WeakPolarHBondContact CD-OG1 3.07Å; T1285-T1288 PolarHBondContact N-OG1 3.28Å; T1285-T1288 PolarHBondContact O-N 3.44Å; T1285-T1288 PolarHBondContact O-OG1 2.97Å; T1285-T1288 WeakPolarHBondContact OG1-CB 3.24Å; T1285-T1288 WeakPolarHBondContact OG1-CG2 3.37Å; T1285-T1288 PolarHBondContact OG1-N 3.23Å; T1285-T1288 PolarHBondContact OG1-OG1 3.4Å | ||
| 1289 | I | 85.5 | Confident | 88.3 | Confident | 108 Ų | 108 | 40 Ų | 40 | 55% | 0.554 | 22% | 0.222 | S | C | * | . | trans | -110.8 | 113.3 | 174 | -58.6 | 167.9 | 0 | 0 | 0 | 107.7 | T1281 | T1281-I1289 HydrophobicContact CG2-CD1 4.08Å; T1281-I1289 HydrophobicContact CG2-CG1 4.1Å; T1281-I1289 HydrophobicContact CG2-CG2 3.7Å | ||
| 1290 | E | 88.1 | Confident | 87.9 | Confident | 96 Ų | 96 | 37.6 Ų | 37.6 | 45% | 0.449 | 21% | 0.21 | S | C | . | . | trans | -105 | -40.9 | 177 | -165.6 | 172.6 | 172.9 | 0 | 0 | 111.2 | L1282 W1311 | L1282-E1290 PolarHBondContact O-N 3.15Å; E1290-W1311 WeakPolarHBondContact OE2-CH2 3.49Å; E1290-W1311 VanDerWaalsContact OE2-CZ3 3.25Å; E1290-W1311 WeakPolarHBondContact OE2-CZ3 3.31Å | ||
| 1291 | Y | 92.5 | Very high | 87.8 | Confident | 43 Ų | 43 | 37.8 Ų | 37.8 | 17% | 0.169 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 149.8 | 177.9 | -56.2 | -66.6 | 0 | 0 | 0 | 111.3 | Y1259 T1281 L1282 K1305 W1311 | Y1259-Y1291 WeakPolarHBondContact CE1-OH 3.45Å; T1281-Y1291 CarbonylContact C-O 3.52Å; T1281-Y1291 WeakPolarHBondContact CA-O 3.44Å; L1282-Y1291 PolarHBondContact N-O 2.91Å; L1282-Y1291 PolarHBondContact O-N 3.46Å; L1282-Y1291 VanDerWaalsContact O-N 3.15Å; Y1291-K1305 HydrophobicContact CD1-CB 4.42Å; Y1291-K1305 HydrophobicContact CD2-CB 4.36Å; Y1291-K1305 WeakPolarHBondContact CD2-O 3.33Å; Y1291-K1305 HydrophobicContact CE1-CB 4.31Å; Y1291-K1305 HydrophobicContact CE1-CD 4.35Å; Y1291-K1305 HydrophobicContact CE2-CB 4.23Å; Y1291-K1305 VanDerWaalsContact CE2-O 3.26Å; Y1291-K1305 WeakPolarHBondContact CE2-O 3.42Å; Y1291-K1305 HydrophobicContact CG-CB 4.44Å; Y1291-W1311 HydrophobicContact CD2-CZ3 4.43Å; Y1291-W1311 HydrophobicContact CE2-CH2 4.27Å; Y1291-W1311 HydrophobicContact CE2-CZ3 4.32Å |
| 1292 | D | 93.6 | Very high | 87.8 | Confident | 40 Ų | 40 | 37.3 Ų | 37.3 | 21% | 0.214 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 156 | 174 | 63.7 | -3 | 0 | 0 | 0 | 111.6 | F1280 T1281 R1316 L1518 | F1280-D1292 WeakPolarHBondContact O-CA 3.37Å; T1281-D1292 HydrophobicContact CG2-CB 4.32Å; D1292-R1316 IonicContact OD2-NH2 3.32Å; D1292-L1518 HydrophobicContact CB-CD1 3.98Å; D1292-L1518 HydrophobicContact CB-CG 4.28Å; D1292-L1518 VanDerWaalsContact OD2-CB 3.25Å; D1292-L1518 WeakPolarHBondContact OD2-CB 3.42Å; D1292-L1518 VanDerWaalsContact OD2-CG 3.25Å; D1292-L1518 WeakPolarHBondContact OD2-CG 3.35Å; D1292-L1518 PolarHBondContact OD2-N 3.3Å; D1292-L1518 VanDerWaalsContact OD2-N 3.09Å |
| 1293 | T | 94.4 | Very high | 87.8 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 171.5 | 176.8 | -161.8 | 0 | 0 | 0 | 0 | 111 | Q1279 F1280 F1302 Q1303 L1304 | Q1279-T1293 WeakPolarHBondContact CA-O 3.48Å; F1280-T1293 HydrophobicContact CB-CG2 4.23Å; F1280-T1293 PolarHBondContact N-O 2.77Å; F1280-T1293 PolarHBondContact O-N 3.03Å; T1293-F1302 HydrophobicContact CG2-CB 3.99Å; T1293-F1302 HydrophobicContact CG2-CD2 4.43Å; T1293-Q1303 PolarHBondContact OG1-O 3.33Å; T1293-L1304 HydrophobicContact CG2-CD1 4.11Å; T1293-L1304 HydrophobicContact CG2-CD2 3.79Å; T1293-L1304 HydrophobicContact CG2-CG 3.74Å |
| 1294 | I | 93.6 | Very high | 87.9 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 5% | 0.051 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 150.7 | 171.1 | 65.2 | 170.8 | 0 | 0 | 0 | 111.7 | L1278 Q1279 D1513 V1514 L1518 R1595 | L1278-I1294 CarbonylContact O-C 3.44Å; L1278-I1294 VanDerWaalsContact O-CA 3.3Å; L1278-I1294 WeakPolarHBondContact O-CA 3.44Å; Q1279-I1294 HydrophobicContact CG-CG2 3.95Å; I1294-D1513 HydrophobicContact CD1-CB 3.97Å; I1294-V1514 HydrophobicContact CD1-CG1 4.19Å; I1294-V1514 HydrophobicContact CG1-CG1 3.54Å; I1294-L1518 HydrophobicContact CG2-CD1 4.3Å; I1294-L1518 HydrophobicContact CG2-CD2 3.56Å; I1294-R1595 HydrophobicContact CD1-CG 4.45Å |
| 1295 | V | 93.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -76.5 | 125.2 | 171.8 | 176.6 | 0 | 0 | 0 | 0 | 109.9 | C1266 P1275 G1277 L1278 F1280 F1302 | C1266-V1295 HydrophobicContact CB-CG1 4Å; C1266-V1295 HydrophobicContact CB-CG2 3.95Å; P1275-V1295 HydrophobicContact CG-CG1 4.37Å; G1277-V1295 PolarHBondContact N-O 3.34Å; L1278-V1295 HydrophobicContact CB-CB 4.12Å; L1278-V1295 HydrophobicContact CB-CG2 3.91Å; L1278-V1295 HydrophobicContact CD2-CG2 4.26Å; L1278-V1295 HydrophobicContact CG-CG2 4.4Å; L1278-V1295 PolarHBondContact O-N 3.34Å; F1280-V1295 HydrophobicContact CD2-CG2 3.67Å; F1280-V1295 HydrophobicContact CE2-CG2 3.37Å; F1280-V1295 HydrophobicContact CZ-CG2 4.46Å; V1295-F1302 HydrophobicContact CG2-CB 4.5Å; V1295-F1302 HydrophobicContact CG2-CD1 4.4Å | ||
| 1296 | M | 90.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -79.1 | 154.6 | 175.8 | -63.1 | -174.5 | 176.9 | 0 | 0 | 111.9 | N1298 G1300 Y1301 Y1488 W1493 V1514 | M1296-N1298 VanDerWaalsContact C-N 3.3Å; M1296-N1298 PolarHBondContact O-N 2.9Å; M1296-G1300 VanDerWaalsContact O-CA 3.31Å; M1296-G1300 WeakPolarHBondContact O-CA 3.23Å; M1296-Y1301 WeakPolarHBondContact CB-O 3.38Å; M1296-Y1301 PolarHBondContact N-O 2.92Å; M1296-Y1301 HydrophobicContact SD-CD1 4.08Å; M1296-Y1488 HydrophobicContact CE-CE1 4.17Å; M1296-Y1488 VanDerWaalsContact CE-OH 3.25Å; M1296-Y1488 WeakPolarHBondContact CE-OH 3.49Å; M1296-W1493 HydrophobicContact SD-CZ2 3.79Å; M1296-V1514 HydrophobicContact CE-CB 4.44Å; M1296-V1514 HydrophobicContact CE-CG1 3.84Å; M1296-V1514 HydrophobicContact CE-CG2 3.88Å | ||
| 1297 | A | 84.3 | Confident | 89.2 | Confident | 29 Ų | 29 | 36.1 Ų | 36.1 | 24% | 0.24 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -65.9 | -32 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1274 R1276 L1299 D1601 | P1274-A1297 WeakPolarHBondContact CB-O 3.38Å; P1274-A1297 WeakPolarHBondContact CG-O 3.29Å; R1276-A1297 HydrophobicContact CB-CB 4.02Å; A1297-L1299 PolarHBondContact O-N 3.19Å; A1297-D1601 HydrophobicContact CB-CB 3.96Å; A1297-D1601 WeakPolarHBondContact CB-OD2 3.4Å; A1297-D1601 VanDerWaalsContact N-CG 3.34Å; A1297-D1601 PolarHBondContact N-OD1 2.96Å; A1297-D1601 PolarHBondContact N-OD2 2.98Å; A1297-D1601 VanDerWaalsContact N-OD2 3.13Å |
| 1298 | N | 78.6 | Confident | 89.9 | Confident | 52 Ų | 52 | 30.3 Ų | 30.3 | 28% | 0.278 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -79.9 | 115.5 | -178.6 | -69 | 21.8 | 0 | 0 | 0 | 109.7 | M1296 G1300 Y1301 W1493 | M1296-N1298 VanDerWaalsContact C-N 3.3Å; M1296-N1298 PolarHBondContact O-N 2.9Å; N1298-G1300 PolarHBondContact O-N 3Å; N1298-Y1301 WeakPolarHBondContact O-CB 3.09Å; N1298-Y1301 PolarHBondContact O-N 3.24Å; N1298-Y1301 VanDerWaalsContact O-N 3.11Å; N1298-W1493 HydrophobicContact CB-CD2 4.46Å; N1298-W1493 HydrophobicContact CB-CE3 4.26Å; N1298-W1493 HydrophobicContact CB-CH2 3.71Å; N1298-W1493 HydrophobicContact CB-CZ2 3.91Å; N1298-W1493 HydrophobicContact CB-CZ3 3.9Å; N1298-W1493 WeakPolarHBondContact ND2-CH2 3.47Å; N1298-W1493 WeakPolarHBondContact ND2-CZ3 3.38Å |
| 1299 | L | 79 | Confident | 90.2 | Very high | 104 Ų | 104 | 27.9 Ų | 27.9 | 55% | 0.545 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 14.2 | 179.4 | -52.2 | 174.6 | 0 | 0 | 0 | 114.9 | H1265 A1297 Y1301 W1493 | H1265-L1299 PolarHBondContact ND1-O 3.01Å; A1297-L1299 PolarHBondContact O-N 3.19Å; L1299-Y1301 PolarHBondContact O-N 3.26Å; L1299-W1493 HydrophobicContact CD1-CB 4Å; L1299-W1493 HydrophobicContact CD1-CG 4.26Å |
| 1300 | G | 85.3 | Confident | 90.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 27.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | H1265 C1266 M1296 N1298 | H1265-G1300 CarbonylContact C-O 3.52Å; H1265-G1300 WeakPolarHBondContact CA-O 3.12Å; C1266-G1300 PolarHBondContact N-O 3.48Å; C1266-G1300 WeakPolarHBondContact O-CA 3.44Å; M1296-G1300 VanDerWaalsContact O-CA 3.31Å; M1296-G1300 WeakPolarHBondContact O-CA 3.23Å; N1298-G1300 PolarHBondContact O-N 3Å |
| 1301 | Y | 91.9 | Very high | 90.7 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 137.2 | -172 | -176.7 | -97.2 | 0 | 0 | 0 | 112.2 | E1263 G1264 M1296 N1298 L1299 Q1303 P1491 W1493 | E1263-Y1301 HydrophobicContact CB-CE2 4.25Å; E1263-Y1301 WeakPolarHBondContact OE2-CE2 3.41Å; E1263-Y1301 PolarHBondContact OE2-OH 3.19Å; G1264-Y1301 CarbonylContact O-C 3.58Å; G1264-Y1301 WeakPolarHBondContact O-CA 3.45Å; M1296-Y1301 WeakPolarHBondContact CB-O 3.38Å; M1296-Y1301 PolarHBondContact N-O 2.92Å; M1296-Y1301 HydrophobicContact SD-CD1 4.08Å; N1298-Y1301 WeakPolarHBondContact O-CB 3.09Å; N1298-Y1301 PolarHBondContact O-N 3.24Å; N1298-Y1301 VanDerWaalsContact O-N 3.11Å; L1299-Y1301 PolarHBondContact O-N 3.26Å; Y1301-Q1303 HydrophobicContact CE1-CB 4.13Å; Y1301-Q1303 HydrophobicContact CE1-CG 4.44Å; Y1301-P1491 HydrophobicContact CD1-CB 4.14Å; Y1301-P1491 HydrophobicContact CD1-CG 4.33Å; Y1301-P1491 HydrophobicContact CE1-CB 3.67Å; Y1301-P1491 HydrophobicContact CE1-CG 3.86Å; Y1301-W1493 AromaticContact CD1-NE1 3.57Å; Y1301-W1493 AromaticContact CD2-CD1 3.81Å; Y1301-W1493 AromaticContact CD2-NE1 3.77Å; Y1301-W1493 AromaticContact CG-CD1 3.83Å; Y1301-W1493 AromaticContact CG-NE1 3.3Å; Y1301-W1493 VanDerWaalsContact CG-NE1 3.3Å |
| 1302 | F | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 155.2 | 165.2 | 66.5 | -89.1 | 0 | 0 | 0 | 110.1 | E1263 G1264 C1266 F1280 T1293 V1295 L1304 L1313 I1353 V1355 | E1263-F1302 CarbonylContact C-O 3.55Å; E1263-F1302 WeakPolarHBondContact CA-O 3.47Å; G1264-F1302 PolarHBondContact N-O 3.32Å; G1264-F1302 WeakPolarHBondContact O-CD1 3.44Å; G1264-F1302 PolarHBondContact O-N 3.36Å; C1266-F1302 HydrophobicContact CB-CD1 4.28Å; C1266-F1302 HydrophobicContact CB-CE1 4.23Å; F1280-F1302 HydrophobicContact CD2-CD1 4.18Å; F1280-F1302 HydrophobicContact CD2-CD2 4.3Å; F1280-F1302 HydrophobicContact CD2-CE1 4.41Å; F1280-F1302 HydrophobicContact CD2-CG 4.11Å; F1280-F1302 AromaticContact CE2-CD1 3.97Å; F1280-F1302 HydrophobicContact CE2-CD1 3.97Å; F1280-F1302 AromaticContact CE2-CE1 3.97Å; F1280-F1302 HydrophobicContact CE2-CE1 3.97Å; F1280-F1302 HydrophobicContact CE2-CG 4.37Å; F1280-F1302 HydrophobicContact CE2-CZ 4.39Å; T1293-F1302 HydrophobicContact CG2-CB 3.99Å; T1293-F1302 HydrophobicContact CG2-CD2 4.43Å; V1295-F1302 HydrophobicContact CG2-CB 4.5Å; V1295-F1302 HydrophobicContact CG2-CD1 4.4Å; F1302-L1304 HydrophobicContact CD2-CD1 4.27Å; F1302-L1304 HydrophobicContact CE2-CD1 4.42Å; F1302-L1313 HydrophobicContact CE2-CD1 4.4Å; F1302-L1313 HydrophobicContact CE2-CD2 4.2Å; F1302-L1313 HydrophobicContact CZ-CD2 4.07Å; F1302-I1353 HydrophobicContact CE2-CD1 4.33Å; F1302-I1353 HydrophobicContact CZ-CD1 3.94Å; F1302-I1353 HydrophobicContact CZ-CG1 3.96Å; F1302-V1355 HydrophobicContact CE1-CG2 4.38Å; F1302-V1355 HydrophobicContact CZ-CG2 4.13Å |
| 1303 | Q | 94 | Very high | 90.6 | Very high | 6 Ų | 6 | 16.8 Ų | 16.8 | 3% | 0.028 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 149.2 | 170.1 | 76.6 | -178.9 | -81.6 | 0 | 0 | 110.7 | L1262 E1263 T1293 Y1301 Y1488 K1489 | L1262-Q1303 CarbonylContact O-C 3.56Å; L1262-Q1303 VanDerWaalsContact O-CA 3.29Å; L1262-Q1303 WeakPolarHBondContact O-CA 3.34Å; E1263-Q1303 HydrophobicContact CG-CB 4.39Å; T1293-Q1303 PolarHBondContact OG1-O 3.33Å; Y1301-Q1303 HydrophobicContact CE1-CB 4.13Å; Y1301-Q1303 HydrophobicContact CE1-CG 4.44Å; Q1303-Y1488 HydrophobicContact CG-CD2 4.26Å; Q1303-Y1488 HydrophobicContact CG-CE1 4.42Å; Q1303-Y1488 HydrophobicContact CG-CE2 3.48Å; Q1303-Y1488 VanDerWaalsContact CG-CE2 3.48Å; Q1303-Y1488 PolarHBondContact NE2-OH 3.04Å; Q1303-K1489 PolarHBondContact NE2-O 2.85Å |
| 1304 | L | 94.2 | Very high | 90.5 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 3% | 0.026 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 153.9 | 177.6 | -72.3 | 150.6 | 0 | 0 | 0 | 109.6 | L1262 L1282 T1293 F1302 L1313 | L1262-L1304 HydrophobicContact CB-CB 4.45Å; L1262-L1304 PolarHBondContact N-O 2.89Å; L1262-L1304 PolarHBondContact O-N 3.03Å; L1282-L1304 HydrophobicContact CB-CB 4.48Å; L1282-L1304 HydrophobicContact CB-CD1 4.01Å; L1282-L1304 HydrophobicContact CB-CD2 4.09Å; L1282-L1304 HydrophobicContact CB-CG 4.4Å; L1282-L1304 HydrophobicContact CD1-CD1 4.34Å; L1282-L1304 HydrophobicContact CD2-CB 3.89Å; T1293-L1304 HydrophobicContact CG2-CD1 4.11Å; T1293-L1304 HydrophobicContact CG2-CD2 3.79Å; T1293-L1304 HydrophobicContact CG2-CG 3.74Å; F1302-L1304 HydrophobicContact CD2-CD1 4.27Å; F1302-L1304 HydrophobicContact CE2-CD1 4.42Å; L1304-L1313 HydrophobicContact CD1-CD1 3.45Å; L1304-L1313 VanDerWaalsContact CD1-CD1 3.45Å |
| 1305 | K | 92.5 | Very high | 90.4 | Very high | 40 Ų | 40 | 18.7 Ų | 18.7 | 17% | 0.174 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 137.4 | 178.2 | -40.5 | -172.8 | 177.3 | 163.6 | 0 | 108.5 | M1226 Y1259 Y1291 Q1487 | M1226-K1305 HydrophobicContact CE-CB 3.71Å; M1226-K1305 HydrophobicContact CE-CD 3.79Å; M1226-K1305 HydrophobicContact CE-CG 3.49Å; M1226-K1305 VanDerWaalsContact CE-CG 3.49Å; M1226-K1305 HydrophobicContact SD-CD 4.48Å; Y1259-K1305 HydrophobicContact CD1-CB 4.02Å; Y1259-K1305 HydrophobicContact CD2-CB 4.49Å; Y1259-K1305 HydrophobicContact CD2-CD 4.24Å; Y1259-K1305 HydrophobicContact CE2-CD 4.31Å; Y1259-K1305 HydrophobicContact CG-CB 4Å; Y1291-K1305 HydrophobicContact CD1-CB 4.42Å; Y1291-K1305 HydrophobicContact CD2-CB 4.36Å; Y1291-K1305 WeakPolarHBondContact CD2-O 3.33Å; Y1291-K1305 HydrophobicContact CE1-CB 4.31Å; Y1291-K1305 HydrophobicContact CE1-CD 4.35Å; Y1291-K1305 HydrophobicContact CE2-CB 4.23Å; Y1291-K1305 VanDerWaalsContact CE2-O 3.26Å; Y1291-K1305 WeakPolarHBondContact CE2-O 3.42Å; Y1291-K1305 HydrophobicContact CG-CB 4.44Å; K1305-Q1487 WeakPolarHBondContact CE-O 3.48Å; K1305-Q1487 PolarHBondContact NZ-O 3.17Å |
| 1306 | A | 92.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 163 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y1259 L1260 L1282 W1311 I1345 | Y1259-A1306 CarbonylContact C-O 3.45Å; Y1259-A1306 WeakPolarHBondContact CA-O 3.32Å; L1260-A1306 PolarHBondContact N-O 3.05Å; L1260-A1306 CarbonylContact O-C 3.46Å; L1260-A1306 WeakPolarHBondContact O-CA 3.5Å; L1260-A1306 PolarHBondContact O-N 3.34Å; L1282-A1306 HydrophobicContact CD2-CB 4.31Å; A1306-W1311 HydrophobicContact CB-CD2 4.17Å; A1306-W1311 HydrophobicContact CB-CG 4.38Å; A1306-W1311 HydrophobicContact CB-CZ2 4.14Å; A1306-I1345 HydrophobicContact CB-CD1 4.45Å; A1306-I1345 HydrophobicContact CB-CG1 3.81Å |
| 1307 | N | 92 | Very high | 90.2 | Very high | 33 Ų | 33 | 25.2 Ų | 25.2 | 18% | 0.176 | 14% | 0.143 | C | C | . | . | trans | -120.6 | 166.9 | 168.6 | -82 | -50.6 | 0 | 0 | 0 | 109.1 | E1258 G1309 W1311 | E1258-N1307 PolarHBondContact O-OD1 3.34Å; N1307-G1309 PolarHBondContact O-N 2.77Å; N1307-G1309 VanDerWaalsContact O-N 3.12Å; N1307-W1311 HydrophobicContact CB-CZ2 4.31Å; N1307-W1311 VanDerWaalsContact N-CZ2 3.29Å; N1307-W1311 PolarHBondContact O-NE1 3.2Å | ||
| 1308 | P | 94.1 | Very high | 90.3 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 3% | 0.032 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -53.1 | 123 | 177.9 | -26 | 34.3 | 0 | 0 | 0 | 112 | W32 P127 E130 M131 Q134 L1260 I1345 | W32-P1308 HydrophobicContact CD2-CG 4.3Å; W32-P1308 HydrophobicContact CE3-CG 3.94Å; W32-P1308 HydrophobicContact CH2-CG 4.02Å; W32-P1308 HydrophobicContact CZ2-CG 4.38Å; W32-P1308 HydrophobicContact CZ3-CG 3.8Å; P127-P1308 HydrophobicContact CB-CB 4.36Å; P127-P1308 HydrophobicContact CB-CG 4.05Å; P127-P1308 WeakPolarHBondContact O-CB 3.35Å; E130-P1308 HydrophobicContact CB-CB 3.9Å; E130-P1308 HydrophobicContact CB-CG 4.29Å; E130-P1308 HydrophobicContact CG-CB 3.96Å; E130-P1308 HydrophobicContact CG-CG 4.26Å; M131-P1308 HydrophobicContact CB-CB 4.18Å; Q134-P1308 WeakPolarHBondContact CG-O 3.47Å; L1260-P1308 HydrophobicContact CD1-CG 4.24Å; P1308-I1345 VanDerWaalsContact CA-O 3.24Å; P1308-I1345 WeakPolarHBondContact CA-O 3.23Å |
| 1309 | G | 92 | Very high | 90.7 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 5% | 0.052 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.1 | 178.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113 | N1307 I1345 | N1307-G1309 PolarHBondContact O-N 2.77Å; N1307-G1309 VanDerWaalsContact O-N 3.12Å; G1309-I1345 PolarHBondContact N-O 3.31Å; G1309-I1345 VanDerWaalsContact N-O 3.16Å; G1309-I1345 PolarHBondContact O-N 3.02Å |
| 1310 | A | 90.5 | Very high | 91.2 | Very high | 14 Ų | 14 | 22.7 Ų | 22.7 | 12% | 0.116 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 133.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L135 F195 I1342 L1344 | L135-A1310 HydrophobicContact CD2-CB 3.59Å; F195-A1310 HydrophobicContact CZ-CB 4.22Å; A1310-I1342 HydrophobicContact CB-CG2 4.4Å; A1310-L1344 HydrophobicContact CB-CD2 3.66Å |
| 1311 | W | 92.2 | Very high | 91.4 | Very high | 16 Ų | 16 | 27.2 Ų | 27.2 | 6% | 0.061 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133.6 | -175.3 | -62.2 | 87.6 | 0 | 0 | 0 | 110.8 | L1282 E1290 Y1291 A1306 N1307 I1342 T1343 | L1282-W1311 HydrophobicContact CD1-CB 3.77Å; L1282-W1311 HydrophobicContact CD2-CB 4.25Å; L1282-W1311 HydrophobicContact CD2-CD2 4.04Å; L1282-W1311 HydrophobicContact CD2-CE3 3.76Å; L1282-W1311 HydrophobicContact CD2-CG 4.27Å; L1282-W1311 HydrophobicContact CD2-CZ3 4.44Å; L1282-W1311 HydrophobicContact CG-CB 4.04Å; L1282-W1311 HydrophobicContact CG-CD2 4.31Å; L1282-W1311 HydrophobicContact CG-CE3 3.78Å; L1282-W1311 HydrophobicContact CG-CG 4.46Å; E1290-W1311 WeakPolarHBondContact OE2-CH2 3.49Å; E1290-W1311 VanDerWaalsContact OE2-CZ3 3.25Å; E1290-W1311 WeakPolarHBondContact OE2-CZ3 3.31Å; Y1291-W1311 HydrophobicContact CD2-CZ3 4.43Å; Y1291-W1311 HydrophobicContact CE2-CH2 4.27Å; Y1291-W1311 HydrophobicContact CE2-CZ3 4.32Å; A1306-W1311 HydrophobicContact CB-CD2 4.17Å; A1306-W1311 HydrophobicContact CB-CG 4.38Å; A1306-W1311 HydrophobicContact CB-CZ2 4.14Å; N1307-W1311 HydrophobicContact CB-CZ2 4.31Å; N1307-W1311 VanDerWaalsContact N-CZ2 3.29Å; N1307-W1311 PolarHBondContact O-NE1 3.2Å; W1311-I1342 WeakPolarHBondContact O-CA 3.32Å; W1311-T1343 PolarHBondContact N-O 3.41Å; W1311-T1343 PolarHBondContact O-N 3.38Å |
| 1312 | H | 92.1 | Very high | 91.3 | Very high | 25 Ų | 25 | 32.2 Ų | 32.2 | 12% | 0.116 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 119.8 | 176.4 | -66.5 | -105.2 | 0 | 0 | 0 | 109.5 | L1282 G1283 P1284 E1340 I1341 | L1282-H1312 WeakPolarHBondContact CA-O 3.43Å; G1283-H1312 PolarHBondContact N-O 3.1Å; G1283-H1312 PolarHBondContact O-N 3.02Å; P1284-H1312 PolarHBondContact O-CD2 3.1Å; H1312-E1340 IonicContact CE1-OE2 3.74Å; H1312-E1340 IonicContact ND1-OE2 2.92Å; H1312-E1340 PolarHBondContact ND1-OE2 3.32Å; H1312-I1341 WeakPolarHBondContact CA-O 3.5Å |
| 1313 | L | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121.7 | 175.2 | -177 | 77.5 | 0 | 0 | 0 | 109.6 | F1280 L1282 F1302 L1304 I1341 I1353 V1355 | F1280-L1313 HydrophobicContact CB-CD1 4Å; F1280-L1313 HydrophobicContact CD1-CD1 4.23Å; F1280-L1313 HydrophobicContact CD1-CD2 4.38Å; F1280-L1313 HydrophobicContact CD1-CG 4.14Å; F1280-L1313 HydrophobicContact CE1-CD2 4.44Å; F1280-L1313 HydrophobicContact CG-CD1 4.18Å; L1282-L1313 HydrophobicContact CD1-CB 4.22Å; L1282-L1313 HydrophobicContact CD1-CD1 4.11Å; F1302-L1313 HydrophobicContact CE2-CD1 4.4Å; F1302-L1313 HydrophobicContact CE2-CD2 4.2Å; F1302-L1313 HydrophobicContact CZ-CD2 4.07Å; L1304-L1313 HydrophobicContact CD1-CD1 3.45Å; L1304-L1313 VanDerWaalsContact CD1-CD1 3.45Å; L1313-I1341 HydrophobicContact CB-CB 4.16Å; L1313-I1341 HydrophobicContact CB-CG2 4.1Å; L1313-I1341 HydrophobicContact CD2-CD1 4.33Å; L1313-I1341 HydrophobicContact CD2-CG2 4.43Å; L1313-I1341 PolarHBondContact N-O 3.08Å; L1313-I1353 HydrophobicContact CD2-CD1 3.73Å; L1313-V1355 HydrophobicContact CD2-CG2 4.09Å |
| 1314 | N | 92.2 | Very high | 91 | Very high | 38 Ų | 38 | 32.3 Ų | 32.3 | 20% | 0.203 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 150.1 | -177.7 | -69 | -46.6 | 0 | 0 | 0 | 111.8 | F1280 T1281 P1286 R1316 | F1280-N1314 CarbonylContact C-O 3.59Å; F1280-N1314 WeakPolarHBondContact CA-O 3.45Å; T1281-N1314 PolarHBondContact N-O 3.03Å; T1281-N1314 PolarHBondContact O-N 3.26Å; T1281-N1314 PolarHBondContact OG1-O 2.86Å; P1286-N1314 PolarHBondContact O-ND2 3.21Å; N1314-R1316 PolarHBondContact O-N 2.95Å |
| 1315 | I | 91.9 | Very high | 90.7 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 9% | 0.087 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 128.9 | 167.1 | -60.7 | 177.3 | 0 | 0 | 0 | 108.3 | L1278 F1280 A1317 Q1321 I1326 V1357 | L1278-I1315 HydrophobicContact CD1-CG2 4.15Å; F1280-I1315 HydrophobicContact CD1-CG1 4.38Å; F1280-I1315 HydrophobicContact CE1-CG1 3.94Å; I1315-A1317 PolarHBondContact O-N 3Å; I1315-Q1321 HydrophobicContact CG2-CB 4.04Å; I1315-I1326 HydrophobicContact CD1-CD1 4.46Å; I1315-I1326 HydrophobicContact CD1-CG1 3.82Å; I1315-I1326 HydrophobicContact CG1-CD1 4.2Å; I1315-I1326 HydrophobicContact CG1-CG1 4.05Å; I1315-V1357 HydrophobicContact CD1-CG1 4.46Å |
| 1316 | R | 90.5 | Very high | 90.5 | Very high | 61 Ų | 61 | 37.3 Ų | 37.3 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 136.2 | -178.8 | -167 | 171.9 | -179.1 | -142.5 | 12 | 111.4 | Q1279 T1281 D1292 N1314 G1318 Q1321 | Q1279-R1316 HydrophobicContact CB-CB 3.78Å; Q1279-R1316 PolarHBondContact O-N 2.87Å; T1281-R1316 HydrophobicContact CG2-CB 3.85Å; T1281-R1316 HydrophobicContact CG2-CG 3.72Å; D1292-R1316 IonicContact OD2-NH2 3.32Å; N1314-R1316 PolarHBondContact O-N 2.95Å; R1316-G1318 PolarHBondContact O-N 2.78Å; R1316-Q1321 WeakPolarHBondContact O-CB 3.24Å; R1316-Q1321 PolarHBondContact O-N 2.79Å |
| 1317 | A | 87.3 | Confident | 90 | Very high | 75 Ų | 75 | 39.5 Ų | 39.5 | 62% | 0.62 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 134.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1315 | I1315-A1317 PolarHBondContact O-N 3Š|
| 1318 | G | 87.2 | Confident | 89.2 | Confident | 48 Ų | 48 | 38.9 Ų | 38.9 | 50% | 0.495 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 129.5 | -146 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1316 S1320 Q1321 K1322 | R1316-G1318 PolarHBondContact O-N 2.78Å; G1318-S1320 VanDerWaalsContact C-N 3.29Å; G1318-S1320 PolarHBondContact O-N 2.83Å; G1318-Q1321 PolarHBondContact O-N 2.82Å; G1318-K1322 WeakPolarHBondContact O-CB 3.43Å; G1318-K1322 PolarHBondContact O-N 3.42Å |
| 1319 | K | 86.6 | Confident | 88.5 | Confident | 81 Ų | 81 | 41.5 Ų | 41.5 | 35% | 0.352 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.1 | -39.1 | -177.7 | -164.5 | -180 | -179.8 | -176.1 | 0 | 112 | K1322 L1323 S1367 M1368 D1370 | K1319-K1322 PolarHBondContact O-N 3.07Å; K1319-L1323 HydrophobicContact CD-CD1 4.36Å; K1319-L1323 HydrophobicContact CG-CD1 3.86Å; K1319-L1323 HydrophobicContact CG-CG 4.28Å; K1319-L1323 WeakPolarHBondContact O-CB 3.32Å; K1319-L1323 WeakPolarHBondContact O-CG 3.49Å; K1319-L1323 PolarHBondContact O-N 3.22Å; K1319-S1367 PolarHBondContact NZ-O 2.64Å; K1319-S1367 VanDerWaalsContact NZ-O 3.14Å; K1319-M1368 WeakPolarHBondContact CE-O 3.46Å; K1319-M1368 HydrophobicContact CG-CE 4.39Å; K1319-M1368 PolarHBondContact NZ-O 2.99Å; K1319-D1370 PolarHBondContact NZ-O 2.93Å |
| 1320 | S | 90.3 | Very high | 87.5 | Confident | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.028 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.5 | -57.2 | 176.9 | -57 | 0 | 0 | 0 | 0 | 112.4 | Q1279 G1318 K1322 L1323 Y1324 | Q1279-S1320 PolarHBondContact N-OG 2.71Å; G1318-S1320 VanDerWaalsContact C-N 3.29Å; G1318-S1320 PolarHBondContact O-N 2.83Å; S1320-K1322 VanDerWaalsContact C-N 3.3Å; S1320-K1322 PolarHBondContact O-N 3.24Å; S1320-L1323 PolarHBondContact O-N 2.88Å; S1320-Y1324 PolarHBondContact O-N 3.42Å |
| 1321 | Q | 89.3 | Confident | 86.8 | Confident | 94 Ų | 94 | 48.1 Ų | 48.1 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.4 | -27.3 | -179 | -168.9 | -179.4 | 31.7 | 0 | 0 | 113.3 | I1315 R1316 G1318 R1360 | I1315-Q1321 HydrophobicContact CG2-CB 4.04Å; R1316-Q1321 WeakPolarHBondContact O-CB 3.24Å; R1316-Q1321 PolarHBondContact O-N 2.79Å; G1318-Q1321 PolarHBondContact O-N 2.82Å; Q1321-R1360 PolarHBondContact O-NE 3.26Å; Q1321-R1360 PolarHBondContact O-NH2 3.31Å |
| 1322 | K | 90.1 | Very high | 86 | Confident | 109 Ų | 109 | 48.4 Ų | 48.4 | 47% | 0.474 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69 | -43 | 174.6 | -175.3 | -175.7 | 174.7 | -163.3 | 0 | 111.6 | G1318 K1319 S1320 R1360 F1363 | G1318-K1322 WeakPolarHBondContact O-CB 3.43Å; G1318-K1322 PolarHBondContact O-N 3.42Å; K1319-K1322 PolarHBondContact O-N 3.07Å; S1320-K1322 VanDerWaalsContact C-N 3.3Å; S1320-K1322 PolarHBondContact O-N 3.24Å; K1322-R1360 WeakPolarHBondContact O-CD 3.21Å; K1322-F1363 HydrophobicContact CD-CZ 4.32Å; K1322-F1363 VanDerWaalsContact CE-CE1 3.44Å; K1322-F1363 HydrophobicContact CG-CE2 3.98Å; K1322-F1363 HydrophobicContact CG-CZ 4.15Å; K1322-F1363 WeakPolarHBondContact O-CD2 3.31Å |
| 1323 | L | 89.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -83.9 | -38.8 | -175.3 | -68.5 | -175.6 | 0 | 0 | 0 | 113 | K1319 S1320 K1359 R1360 F1363 E1366 M1368 | K1319-L1323 HydrophobicContact CD-CD1 4.36Å; K1319-L1323 HydrophobicContact CG-CD1 3.86Å; K1319-L1323 HydrophobicContact CG-CG 4.28Å; K1319-L1323 WeakPolarHBondContact O-CB 3.32Å; K1319-L1323 WeakPolarHBondContact O-CG 3.49Å; K1319-L1323 PolarHBondContact O-N 3.22Å; S1320-L1323 PolarHBondContact O-N 2.88Å; L1323-K1359 CarbonylContact O-C 3.57Å; L1323-K1359 WeakPolarHBondContact O-CA 3.31Å; L1323-R1360 PolarHBondContact O-N 3.42Å; L1323-F1363 HydrophobicContact CD2-CB 3.29Å; L1323-F1363 HydrophobicContact CD2-CD1 4.03Å; L1323-F1363 HydrophobicContact CD2-CD2 4.24Å; L1323-F1363 HydrophobicContact CD2-CG 3.6Å; L1323-E1366 HydrophobicContact CD2-CB 3.96Å; L1323-E1366 WeakPolarHBondContact CD2-OE2 3.43Å; L1323-M1368 HydrophobicContact CB-CE 3.79Å; L1323-M1368 HydrophobicContact CD1-CE 3.31Å; L1323-M1368 HydrophobicContact CG-CE 3.98Å |
| 1324 | Y | 90.4 | Very high | 84.5 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 152 | -171.1 | -69.9 | -86.7 | 0 | 0 | 0 | 112.6 | E1268 P1275 L1278 S1320 V1357 N1358 K1359 M1368 | E1268-Y1324 HydrophobicContact CG-CE1 4.13Å; E1268-Y1324 WeakPolarHBondContact OE2-CE1 3.3Å; E1268-Y1324 PolarHBondContact OE2-OH 3.08Å; P1275-Y1324 HydrophobicContact CB-CE1 4.08Å; L1278-Y1324 HydrophobicContact CD1-CD2 3.81Å; L1278-Y1324 HydrophobicContact CD1-CG 4.07Å; S1320-Y1324 PolarHBondContact O-N 3.42Å; Y1324-V1357 HydrophobicContact CD1-CB 4.08Å; Y1324-V1357 HydrophobicContact CD1-CG2 3.66Å; Y1324-V1357 HydrophobicContact CE1-CG2 4.06Å; Y1324-V1357 HydrophobicContact CG-CG2 4.46Å; Y1324-N1358 CarbonylContact C-O 3.6Å; Y1324-N1358 WeakPolarHBondContact CA-O 3.27Å; Y1324-K1359 HydrophobicContact CD1-CG 3.94Å; Y1324-K1359 HydrophobicContact CE1-CB 4.49Å; Y1324-K1359 HydrophobicContact CE1-CD 4.48Å; Y1324-K1359 HydrophobicContact CE1-CG 3.51Å; Y1324-K1359 HydrophobicContact CE2-CG 4.36Å; Y1324-K1359 WeakPolarHBondContact OH-CE 3.45Å; Y1324-M1368 HydrophobicContact CD2-CE 3.68Å; Y1324-M1368 HydrophobicContact CD2-SD 3.99Å; Y1324-M1368 HydrophobicContact CE2-CE 3.59Å; Y1324-M1368 HydrophobicContact CE2-SD 3.73Å |
| 1325 | E | 89.5 | Confident | 83.2 | Confident | 99 Ų | 99 | 50.5 Ų | 50.5 | 46% | 0.463 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 153.2 | 163.9 | 65.1 | -179.2 | -178.4 | 0 | 0 | 110.1 | S1327 V1357 N1358 | E1325-S1327 PolarHBondContact O-N 3.14Å; E1325-V1357 CarbonylContact O-C 3.58Å; E1325-V1357 VanDerWaalsContact O-CA 3.22Å; E1325-V1357 WeakPolarHBondContact O-CA 3.48Å; E1325-V1357 WeakPolarHBondContact O-CB 3.34Å; E1325-N1358 PolarHBondContact N-O 3.25Å; E1325-N1358 PolarHBondContact O-N 3.05Å |
| 1326 | I | 86.8 | Confident | 81.3 | Confident | 51 Ų | 51 | 54 Ų | 54 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 121.8 | 176.8 | -63.5 | 165.8 | 0 | 0 | 0 | 107.7 | I1315 I1341 V1355 V1357 | I1315-I1326 HydrophobicContact CD1-CD1 4.46Å; I1315-I1326 HydrophobicContact CD1-CG1 3.82Å; I1315-I1326 HydrophobicContact CG1-CD1 4.2Å; I1315-I1326 HydrophobicContact CG1-CG1 4.05Å; I1326-I1341 HydrophobicContact CD1-CD1 3.74Å; I1326-I1341 HydrophobicContact CD1-CG1 4.07Å; I1326-I1341 HydrophobicContact CG1-CD1 4.43Å; I1326-I1341 HydrophobicContact CG2-CD1 3.86Å; I1326-I1341 HydrophobicContact CG2-CG1 4.32Å; I1326-V1355 HydrophobicContact CG2-CG1 4.36Å; I1326-V1357 HydrophobicContact CG1-CG1 4.47Å |
| 1327 | S | 82.4 | Confident | 79.4 | Confident | 46 Ų | 46 | 58.7 Ų | 58.7 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -32.5 | 179.4 | 66.6 | 0 | 0 | 0 | 0 | 112.7 | E1269 E1325 S1356 N1358 | E1269-S1327 WeakPolarHBondContact OE1-CB 3.23Å; E1269-S1327 PolarHBondContact OE1-OG 3.36Å; E1325-S1327 PolarHBondContact O-N 3.14Å; S1327-S1356 PolarHBondContact N-O 3.42Å; S1327-S1356 WeakPolarHBondContact OG-CB 3.42Å; S1327-S1356 PolarHBondContact OG-O 2.85Å; S1327-N1358 VanDerWaalsContact CB-ND2 3.32Å; S1327-N1358 WeakPolarHBondContact CB-ND2 3.34Å |
| 1328 | G | 74.9 | Confident | 78.2 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 22% | 0.216 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 159.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1356 | G1328-S1356 PolarHBondContact N-O 3Å; G1328-S1356 PolarHBondContact O-N 2.87Å |
| 1329 | Q | 79.1 | Confident | 77.1 | Confident | 59 Ų | 59 | 64.4 Ų | 64.4 | 28% | 0.276 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 140.5 | 177.4 | 64.3 | -172.2 | -23.6 | 0 | 0 | 109.7 | T1332 T1334 I1341 E1354 | Q1329-T1332 HydrophobicContact CB-CG2 3.95Å; Q1329-T1332 VanDerWaalsContact CD-OG1 3.27Å; Q1329-T1332 HydrophobicContact CG-CG2 4.33Å; Q1329-T1332 PolarHBondContact OE1-OG1 3.12Å; Q1329-T1332 VanDerWaalsContact OE1-OG1 3.13Å; Q1329-T1334 VanDerWaalsContact CD-OG1 3.29Å; Q1329-T1334 VanDerWaalsContact NE2-CB 3.32Å; Q1329-T1334 PolarHBondContact NE2-OG1 2.91Å; Q1329-T1334 PolarHBondContact OE1-OG1 3.23Å; Q1329-I1341 HydrophobicContact CB-CD1 4.46Å; Q1329-E1354 CarbonylContact C-O 3.43Å; Q1329-E1354 WeakPolarHBondContact CA-O 3.15Å |
| 1330 | E | 72.1 | Confident | 76.4 | Confident | 78 Ų | 78 | 64.1 Ų | 64.1 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 152 | 168.5 | -58.1 | -167.1 | 176.6 | 0 | 0 | 110.1 | K717 T1332 E1354 | K717-E1330 IonicContact NZ-OE1 3.56Å; E1330-T1332 PolarHBondContact O-N 3.2Å; E1330-E1354 HydrophobicContact CB-CB 4.23Å; E1330-E1354 PolarHBondContact N-O 3.46Å; E1330-E1354 PolarHBondContact O-N 2.84Å; E1330-E1354 VanDerWaalsContact O-N 3.11Å |
| 1331 | H | 74.6 | Confident | 76.2 | Confident | 80 Ų | 80 | 64 Ų | 64 | 37% | 0.37 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 64 | 14.9 | 178.5 | -53.9 | -68.5 | 0 | 0 | 0 | 116.6 | K1351 | H1331-K1351 WeakPolarHBondContact O-CE 3.27Å; H1331-K1351 PolarHBondContact O-NZ 3.45Å |
| 1332 | T | 76.3 | Confident | 76.1 | Confident | 22 Ų | 22 | 60.1 Ų | 60.1 | 14% | 0.135 | 31% | 0.314 | C | S | . | . | trans | -86.4 | 169.3 | 173.2 | 64.5 | 0 | 0 | 0 | 0 | 111.9 | Q1329 E1330 T1334 I1341 I1353 | Q1329-T1332 HydrophobicContact CB-CG2 3.95Å; Q1329-T1332 VanDerWaalsContact CD-OG1 3.27Å; Q1329-T1332 HydrophobicContact CG-CG2 4.33Å; Q1329-T1332 PolarHBondContact OE1-OG1 3.12Å; Q1329-T1332 VanDerWaalsContact OE1-OG1 3.13Å; E1330-T1332 PolarHBondContact O-N 3.2Å; T1332-T1334 WeakPolarHBondContact CB-OG1 3.36Å; T1332-T1334 PolarHBondContact OG1-OG1 2.75Å; T1332-I1341 HydrophobicContact CG2-CG2 3.83Å; T1332-I1353 HydrophobicContact CG2-CB 4.14Å; T1332-I1353 HydrophobicContact CG2-CG2 3.98Å | ||
| 1333 | D | 78.5 | Confident | 76 | Confident | 27 Ų | 27 | 55 Ų | 55 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | trans | -103.6 | 21.1 | 178.6 | -52.4 | -68.7 | 0 | 0 | 0 | 111.6 | I1342 L1344 K1351 | D1333-I1342 PolarHBondContact N-O 2.98Å; D1333-L1344 HydrophobicContact CB-CB 4.29Å; D1333-L1344 HydrophobicContact CB-CD1 3.72Å; D1333-L1344 HydrophobicContact CB-CG 3.78Å; D1333-L1344 WeakPolarHBondContact OD2-CB 3.48Å; D1333-L1344 PolarHBondContact OD2-N 2.85Å; D1333-K1351 VanDerWaalsContact CG-NZ 3.26Å; D1333-K1351 IonicContact OD1-NZ 3.09Å; D1333-K1351 PolarHBondContact OD1-NZ 3.09Å; D1333-K1351 WeakPolarHBondContact OD2-CE 3.26Å; D1333-K1351 IonicContact OD2-NZ 2.9Å; D1333-K1351 PolarHBondContact OD2-NZ 2.9Å | ||
| 1334 | T | 74 | Confident | 76 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -78 | 145 | -174.1 | -27.1 | 0 | 0 | 0 | 0 | 112 | Q1329 T1332 E1340 I1342 | Q1329-T1334 VanDerWaalsContact CD-OG1 3.29Å; Q1329-T1334 VanDerWaalsContact NE2-CB 3.32Å; Q1329-T1334 PolarHBondContact NE2-OG1 2.91Å; Q1329-T1334 PolarHBondContact OE1-OG1 3.23Å; T1332-T1334 WeakPolarHBondContact CB-OG1 3.36Å; T1332-T1334 PolarHBondContact OG1-OG1 2.75Å; T1334-E1340 WeakPolarHBondContact CG2-O 3.47Å; T1334-I1342 HydrophobicContact CG2-CB 4.43Å; T1334-I1342 HydrophobicContact CG2-CG1 4.41Å; T1334-I1342 PolarHBondContact OG1-N 2.98Å; T1334-I1342 PolarHBondContact OG1-O 3.13Å |
| 1335 | S | 64.8 | Low | 76.1 | Confident | 63 Ų | 63 | 55 Ų | 55 | 44% | 0.441 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 146.7 | 172.4 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | N1337 S1338 | S1335-N1337 PolarHBondContact O-N 3.11Å; S1335-N1337 VanDerWaalsContact O-N 3.14Å; S1335-S1338 PolarHBondContact O-N 3.15Å; S1335-S1338 VanDerWaalsContact O-N 3.08Å |
| 1336 | V | 52.2 | Low | 76 | Confident | 89 Ų | 89 | 50.8 Ų | 50.8 | 54% | 0.539 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 117.3 | 177.6 | -173.7 | 0 | 0 | 0 | 0 | 108.3 | ||
| 1337 | N | 51.6 | Low | 76.2 | Confident | 161 Ų | 161 | 50.3 Ų | 50.3 | 86% | 0.861 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | 5 | -176.8 | -49.2 | -31.1 | 0 | 0 | 0 | 117.9 | S1335 | S1335-N1337 PolarHBondContact O-N 3.11Å; S1335-N1337 VanDerWaalsContact O-N 3.14Å |
| 1338 | S | 61.6 | Low | 76.6 | Confident | 37 Ų | 37 | 48.3 Ų | 48.3 | 26% | 0.259 | 26% | 0.257 | S | S | . | . | trans | -70.4 | 133.2 | 169.8 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | S1335 E1340 | S1335-S1338 PolarHBondContact O-N 3.15Å; S1335-S1338 VanDerWaalsContact O-N 3.08Å; S1338-E1340 VanDerWaalsContact C-N 3.33Å; S1338-E1340 PolarHBondContact OG-N 2.91Å; S1338-E1340 VanDerWaalsContact OG-N 3.13Å; S1338-E1340 PolarHBondContact OG-O 3.43Å | ||
| 1339 | K | 63.4 | Low | 76.9 | Confident | 205 Ų | 205 | 49.2 Ų | 49.2 | 89% | 0.891 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -75.8 | -21.3 | 171.4 | -70.7 | -172.2 | 178.4 | -175.7 | 0 | 113.2 | ||
| 1340 | E | 72.5 | Confident | 76.6 | Confident | 75 Ų | 75 | 46.8 Ų | 46.8 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -92.1 | 135.8 | 180 | -62.9 | -174.3 | 174.2 | 0 | 0 | 109.8 | P1286 H1312 T1334 S1338 | P1286-E1340 WeakPolarHBondContact CG-OE1 3.45Å; P1286-E1340 VanDerWaalsContact CG-OE2 3.26Å; P1286-E1340 WeakPolarHBondContact CG-OE2 3.36Å; H1312-E1340 IonicContact CE1-OE2 3.74Å; H1312-E1340 IonicContact ND1-OE2 2.92Å; H1312-E1340 PolarHBondContact ND1-OE2 3.32Å; T1334-E1340 WeakPolarHBondContact CG2-O 3.47Å; S1338-E1340 VanDerWaalsContact C-N 3.33Å; S1338-E1340 PolarHBondContact OG-N 2.91Å; S1338-E1340 VanDerWaalsContact OG-N 3.13Å; S1338-E1340 PolarHBondContact OG-O 3.43Å |
| 1341 | I | 85.2 | Confident | 77.2 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 116.6 | 174.6 | -58.2 | -173.3 | 0 | 0 | 0 | 108.7 | H1312 L1313 I1326 Q1329 T1332 V1355 | H1312-I1341 WeakPolarHBondContact CA-O 3.5Å; L1313-I1341 HydrophobicContact CB-CB 4.16Å; L1313-I1341 HydrophobicContact CB-CG2 4.1Å; L1313-I1341 HydrophobicContact CD2-CD1 4.33Å; L1313-I1341 HydrophobicContact CD2-CG2 4.43Å; L1313-I1341 PolarHBondContact N-O 3.08Å; I1326-I1341 HydrophobicContact CD1-CD1 3.74Å; I1326-I1341 HydrophobicContact CD1-CG1 4.07Å; I1326-I1341 HydrophobicContact CG1-CD1 4.43Å; I1326-I1341 HydrophobicContact CG2-CD1 3.86Å; I1326-I1341 HydrophobicContact CG2-CG1 4.32Å; Q1329-I1341 HydrophobicContact CB-CD1 4.46Å; T1332-I1341 HydrophobicContact CG2-CG2 3.83Å; I1341-V1355 HydrophobicContact CD1-CG1 3.91Å; I1341-V1355 HydrophobicContact CD1-CG2 4.05Å |
| 1342 | I | 87.7 | Confident | 77.7 | Confident | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.7 | 175.9 | -53.9 | 174.3 | 0 | 0 | 0 | 108.8 | F195 A1310 W1311 D1333 T1334 | F195-I1342 HydrophobicContact CE1-CG2 3.91Å; F195-I1342 HydrophobicContact CZ-CG2 4.38Å; A1310-I1342 HydrophobicContact CB-CG2 4.4Å; W1311-I1342 WeakPolarHBondContact O-CA 3.32Å; D1333-I1342 PolarHBondContact N-O 2.98Å; T1334-I1342 HydrophobicContact CG2-CB 4.43Å; T1334-I1342 HydrophobicContact CG2-CG1 4.41Å; T1334-I1342 PolarHBondContact OG1-N 2.98Å; T1334-I1342 PolarHBondContact OG1-O 3.13Å |
| 1343 | T | 88.7 | Confident | 78.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.5 | 178.2 | -48.7 | 0 | 0 | 0 | 0 | 110.8 | L1262 W1311 K1351 I1353 | L1262-T1343 HydrophobicContact CD1-CG2 3.7Å; W1311-T1343 PolarHBondContact N-O 3.41Å; W1311-T1343 PolarHBondContact O-N 3.38Å; T1343-K1351 HydrophobicContact CG2-CD 4.1Å; T1343-K1351 VanDerWaalsContact CG2-CE 3.41Å; T1343-K1351 HydrophobicContact CG2-CG 3.43Å; T1343-K1351 VanDerWaalsContact CG2-CG 3.43Å; T1343-I1353 HydrophobicContact CG2-CG2 4.21Å |
| 1344 | L | 89.5 | Confident | 78.4 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 127.2 | 178.3 | -61.1 | 171.2 | 0 | 0 | 0 | 110.7 | M131 F195 A1310 D1333 | M131-L1344 HydrophobicContact SD-CB 4.19Å; M131-L1344 HydrophobicContact SD-CD2 4.16Å; F195-L1344 HydrophobicContact CB-CD1 3.65Å; F195-L1344 HydrophobicContact CD1-CD1 3.62Å; F195-L1344 HydrophobicContact CD1-CD2 3.94Å; F195-L1344 HydrophobicContact CD1-CG 4.08Å; F195-L1344 HydrophobicContact CD2-CD1 4.34Å; F195-L1344 HydrophobicContact CD2-CD2 4.16Å; F195-L1344 HydrophobicContact CE1-CD1 4.36Å; F195-L1344 HydrophobicContact CE1-CD2 3.86Å; F195-L1344 HydrophobicContact CE1-CG 4.34Å; F195-L1344 HydrophobicContact CE2-CD2 4.09Å; F195-L1344 HydrophobicContact CG-CD1 3.61Å; F195-L1344 HydrophobicContact CG-CD2 4.09Å; F195-L1344 HydrophobicContact CG-CG 4.37Å; F195-L1344 HydrophobicContact CZ-CD2 3.94Å; A1310-L1344 HydrophobicContact CB-CD2 3.66Å; D1333-L1344 HydrophobicContact CB-CB 4.29Å; D1333-L1344 HydrophobicContact CB-CD1 3.72Å; D1333-L1344 HydrophobicContact CB-CG 3.78Å; D1333-L1344 WeakPolarHBondContact OD2-CB 3.48Å; D1333-L1344 PolarHBondContact OD2-N 2.85Å |
| 1345 | I | 91.9 | Very high | 79 | Confident | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 96.9 | 166.7 | -55.8 | -57.9 | 0 | 0 | 0 | 107.2 | L1260 A1306 P1308 G1309 K1351 | L1260-I1345 HydrophobicContact CB-CG2 3.9Å; L1260-I1345 HydrophobicContact CD1-CG2 3.56Å; L1260-I1345 HydrophobicContact CG-CG2 4.38Å; A1306-I1345 HydrophobicContact CB-CD1 4.45Å; A1306-I1345 HydrophobicContact CB-CG1 3.81Å; P1308-I1345 VanDerWaalsContact CA-O 3.24Å; P1308-I1345 WeakPolarHBondContact CA-O 3.23Å; G1309-I1345 PolarHBondContact N-O 3.31Å; G1309-I1345 VanDerWaalsContact N-O 3.16Å; G1309-I1345 PolarHBondContact O-N 3.02Å; I1345-K1351 HydrophobicContact CD1-CB 3.73Å; I1345-K1351 HydrophobicContact CD1-CG 4.22Å |
| 1346 | S | 89.1 | Confident | 80.1 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | trans | -120.2 | -6.2 | -170.9 | 64.7 | 0 | 0 | 0 | 0 | 114.5 | P127 T128 M131 L197 | P127-S1346 CarbonylContact C-O 3.55Å; T128-S1346 WeakPolarHBondContact CA-O 3.28Å; T128-S1346 PolarHBondContact N-O 3.36Å; T128-S1346 VanDerWaalsContact N-O 3.09Å; T128-S1346 PolarHBondContact OG1-O 3.36Å; M131-S1346 VanDerWaalsContact SD-CB 3.51Å; L197-S1346 WeakPolarHBondContact CD1-OG 3.17Å | ||
| 1347 | N | 89.2 | Confident | 81.8 | Confident | 42 Ų | 42 | 37.4 Ų | 37.4 | 23% | 0.225 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -147.9 | 170.9 | -177.9 | 62.5 | 86.7 | 0 | 0 | 0 | 109.8 | R1349 | N1347-R1349 VanDerWaalsContact C-N 3.29Å; N1347-R1349 PolarHBondContact O-N 2.78Å; N1347-R1349 WeakPolarHBondContact OD1-CA 3.42Å; N1347-R1349 WeakPolarHBondContact OD1-CB 3.41Å; N1347-R1349 WeakPolarHBondContact OD1-CG 3.32Å; N1347-R1349 PolarHBondContact OD1-N 3.41Å; N1347-R1349 PolarHBondContact OD1-NE 3.14Å; N1347-R1349 VanDerWaalsContact OD1-NE 3.07Å |
| 1348 | F | 90.6 | Very high | 83.5 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 1% | 0.013 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -76.5 | -9.8 | -178.1 | -76.6 | -61.3 | 0 | 0 | 0 | 114.9 | W32 R123 P127 L259 F439 W1225 L1257 L1260 | W32-F1348 HydrophobicContact CH2-CD1 4.49Å; W32-F1348 AromaticContact CH2-CE1 3.66Å; W32-F1348 HydrophobicContact CH2-CE1 3.66Å; W32-F1348 HydrophobicContact CH2-CZ 4.35Å; W32-F1348 AromaticContact CZ2-CE1 3.67Å; W32-F1348 HydrophobicContact CZ2-CE1 3.67Å; W32-F1348 AromaticContact CZ2-CZ 3.89Å; W32-F1348 HydrophobicContact CZ2-CZ 3.89Å; R123-F1348 WeakPolarHBondContact O-CE2 3.16Å; P127-F1348 HydrophobicContact CG-CD1 3.75Å; P127-F1348 HydrophobicContact CG-CD2 3.72Å; P127-F1348 HydrophobicContact CG-CE1 3.67Å; P127-F1348 HydrophobicContact CG-CE2 3.64Å; P127-F1348 HydrophobicContact CG-CG 3.77Å; P127-F1348 HydrophobicContact CG-CZ 3.61Å; L259-F1348 HydrophobicContact CD1-CE1 4.29Å; L259-F1348 HydrophobicContact CD1-CZ 4.47Å; L259-F1348 HydrophobicContact CD2-CE1 4.47Å; L259-F1348 HydrophobicContact CD2-CZ 3.86Å; F439-F1348 HydrophobicContact CD1-CB 4.39Å; F439-F1348 HydrophobicContact CD1-CD2 4.04Å; F439-F1348 HydrophobicContact CD2-CB 3.48Å; F439-F1348 VanDerWaalsContact CD2-CB 3.48Å; F439-F1348 HydrophobicContact CD2-CD2 4.42Å; F439-F1348 HydrophobicContact CD2-CG 4.3Å; F439-F1348 HydrophobicContact CE1-CB 4.42Å; F439-F1348 AromaticContact CE1-CD2 3.58Å; F439-F1348 HydrophobicContact CE1-CD2 3.58Å; F439-F1348 HydrophobicContact CE1-CE2 4.2Å; F439-F1348 HydrophobicContact CE1-CG 4.32Å; F439-F1348 HydrophobicContact CE2-CB 3.57Å; F439-F1348 HydrophobicContact CE2-CD2 4.04Å; F439-F1348 AromaticContact CE2-CG 3.96Å; F439-F1348 HydrophobicContact CE2-CG 3.96Å; F439-F1348 HydrophobicContact CG-CB 3.95Å; F439-F1348 HydrophobicContact CG-CD2 4.45Å; F439-F1348 HydrophobicContact CZ-CB 4.05Å; F439-F1348 AromaticContact CZ-CD2 3.59Å; F439-F1348 HydrophobicContact CZ-CD2 3.59Å; F439-F1348 HydrophobicContact CZ-CE2 4.21Å; F439-F1348 AromaticContact CZ-CG 3.96Å; F439-F1348 HydrophobicContact CZ-CG 3.96Å; W1225-F1348 AromaticContact CE2-CD1 3.72Å; W1225-F1348 HydrophobicContact CH2-CD1 4.08Å; W1225-F1348 HydrophobicContact CH2-CE1 4.25Å; W1225-F1348 HydrophobicContact CH2-CG 4.48Å; W1225-F1348 HydrophobicContact CZ2-CB 3.72Å; W1225-F1348 AromaticContact CZ2-CD1 3.23Å; W1225-F1348 HydrophobicContact CZ2-CD1 3.23Å; W1225-F1348 HydrophobicContact CZ2-CD2 4.32Å; W1225-F1348 AromaticContact CZ2-CE1 3.83Å; W1225-F1348 HydrophobicContact CZ2-CE1 3.83Å; W1225-F1348 AromaticContact CZ2-CG 3.53Å; W1225-F1348 HydrophobicContact CZ2-CG 3.53Å; W1225-F1348 AromaticContact NE1-CD1 3.93Å; W1225-F1348 PolarHBondContact NE1-O 3.48Å; L1257-F1348 HydrophobicContact CD2-CD1 4.11Å; L1257-F1348 HydrophobicContact CD2-CE1 3.77Å; L1260-F1348 HydrophobicContact CD2-CD1 4.28Å |
| 1349 | R | 81.7 | Confident | 84.6 | Confident | 40 Ų | 40 | 32.2 Ų | 32.2 | 15% | 0.151 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -75.8 | 151 | 178.1 | -49.4 | 173.5 | -63.1 | 174.3 | 15.8 | 109 | F439 D443 N1347 | F439-R1349 HydrophobicContact CB-CG 4.2Å; D443-R1349 IonicContact OD2-CZ 2.77Å; D443-R1349 IonicContact OD2-NE 2.87Å; D443-R1349 IonicContact OD2-NH1 2.7Å; D443-R1349 PolarHBondContact OD2-NH1 3.08Å; N1347-R1349 VanDerWaalsContact C-N 3.29Å; N1347-R1349 PolarHBondContact O-N 2.78Å; N1347-R1349 WeakPolarHBondContact OD1-CA 3.42Å; N1347-R1349 WeakPolarHBondContact OD1-CB 3.41Å; N1347-R1349 WeakPolarHBondContact OD1-CG 3.32Å; N1347-R1349 PolarHBondContact OD1-N 3.41Å; N1347-R1349 PolarHBondContact OD1-NE 3.14Å; N1347-R1349 VanDerWaalsContact OD1-NE 3.07Å |
| 1350 | S | 74.2 | Confident | 85.8 | Confident | 8 Ų | 8 | 27.4 Ų | 27.4 | 6% | 0.056 | 13% | 0.13 | C | C | . | . | trans | -66 | 143.6 | 175.3 | -13.2 | 0 | 0 | 0 | 0 | 110.2 | V1093 G1224 R1492 | V1093-S1350 WeakPolarHBondContact CG1-O 3.38Å; V1093-S1350 WeakPolarHBondContact CG1-OG 3.24Å; V1093-S1350 VanDerWaalsContact CG2-O 3.31Å; V1093-S1350 WeakPolarHBondContact CG2-O 3.46Å; G1224-S1350 WeakPolarHBondContact CA-OG 3.42Å; G1224-S1350 PolarHBondContact N-OG 3.29Å; S1350-R1492 PolarHBondContact OG-NH2 3.46Å | ||
| 1351 | K | 83.6 | Confident | 86.1 | Confident | 42 Ų | 42 | 28.6 Ų | 28.6 | 18% | 0.183 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.3 | 176.9 | -176.4 | 65.4 | 163.7 | 178.9 | 0 | 107.5 | L1261 L1262 E1263 H1331 D1333 T1343 I1345 I1353 | L1261-K1351 PolarHBondContact O-N 2.56Å; L1262-K1351 HydrophobicContact CD1-CB 4.19Å; L1262-K1351 HydrophobicContact CD1-CG 3.97Å; E1263-K1351 PolarHBondContact N-O 3.06Å; H1331-K1351 WeakPolarHBondContact O-CE 3.27Å; H1331-K1351 PolarHBondContact O-NZ 3.45Å; D1333-K1351 VanDerWaalsContact CG-NZ 3.26Å; D1333-K1351 IonicContact OD1-NZ 3.09Å; D1333-K1351 PolarHBondContact OD1-NZ 3.09Å; D1333-K1351 WeakPolarHBondContact OD2-CE 3.26Å; D1333-K1351 IonicContact OD2-NZ 2.9Å; D1333-K1351 PolarHBondContact OD2-NZ 2.9Å; T1343-K1351 HydrophobicContact CG2-CD 4.1Å; T1343-K1351 VanDerWaalsContact CG2-CE 3.41Å; T1343-K1351 HydrophobicContact CG2-CG 3.43Å; T1343-K1351 VanDerWaalsContact CG2-CG 3.43Å; I1345-K1351 HydrophobicContact CD1-CB 3.73Å; I1345-K1351 HydrophobicContact CD1-CG 4.22Å; K1351-I1353 HydrophobicContact CG-CG2 4.39Å |
| 1352 | I | 84.4 | Confident | 85.9 | Confident | 17 Ų | 17 | 36.5 Ų | 36.5 | 9% | 0.087 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.1 | 177.9 | -50.1 | -154.9 | 0 | 0 | 0 | 109.2 | S1092 V1093 E1263 | S1092-I1352 WeakPolarHBondContact O-CD1 3.33Å; V1093-I1352 HydrophobicContact CB-CD1 4.42Å; V1093-I1352 HydrophobicContact CB-CG1 4.29Å; V1093-I1352 HydrophobicContact CG1-CD1 4.31Å; V1093-I1352 HydrophobicContact CG1-CG1 4.13Å; V1093-I1352 HydrophobicContact CG2-CG1 4.09Å; E1263-I1352 HydrophobicContact CB-CD1 4.24Å; E1263-I1352 HydrophobicContact CB-CG1 4.08Å; E1263-I1352 VanDerWaalsContact O-CA 3.28Å; E1263-I1352 WeakPolarHBondContact O-CA 3.47Å |
| 1353 | I | 86.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 150.7 | -178.4 | 60.8 | 171.4 | 0 | 0 | 0 | 111.3 | L1262 E1263 G1264 H1265 F1302 L1313 T1332 T1343 K1351 V1355 | L1262-I1353 HydrophobicContact CD1-CD1 4.15Å; L1262-I1353 HydrophobicContact CD1-CG1 4.27Å; L1262-I1353 HydrophobicContact CD1-CG2 4.31Å; E1263-I1353 PolarHBondContact O-N 3.43Å; G1264-I1353 CarbonylContact C-O 3.58Å; G1264-I1353 WeakPolarHBondContact CA-O 3.3Å; H1265-I1353 PolarHBondContact N-O 3.17Å; F1302-I1353 HydrophobicContact CE2-CD1 4.33Å; F1302-I1353 HydrophobicContact CZ-CD1 3.94Å; F1302-I1353 HydrophobicContact CZ-CG1 3.96Å; L1313-I1353 HydrophobicContact CD2-CD1 3.73Å; T1332-I1353 HydrophobicContact CG2-CB 4.14Å; T1332-I1353 HydrophobicContact CG2-CG2 3.98Å; T1343-I1353 HydrophobicContact CG2-CG2 4.21Å; K1351-I1353 HydrophobicContact CG-CG2 4.39Å; I1353-V1355 HydrophobicContact CD1-CG2 4.06Å; I1353-V1355 HydrophobicContact CG1-CG2 4.38Å |
| 1354 | E | 83.3 | Confident | 84.8 | Confident | 85 Ų | 85 | 40.9 Ų | 40.9 | 40% | 0.397 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130.2 | 170.4 | -60.3 | -170.7 | 171.9 | 0 | 0 | 109.5 | H1265 Q1329 E1330 | H1265-E1354 HydrophobicContact CB-CG 4.45Å; H1265-E1354 CarbonylContact O-C 3.56Å; H1265-E1354 WeakPolarHBondContact O-CA 3.39Å; Q1329-E1354 CarbonylContact C-O 3.43Å; Q1329-E1354 WeakPolarHBondContact CA-O 3.15Å; E1330-E1354 HydrophobicContact CB-CB 4.23Å; E1330-E1354 PolarHBondContact N-O 3.46Å; E1330-E1354 PolarHBondContact O-N 2.84Å; E1330-E1354 VanDerWaalsContact O-N 3.11Å |
| 1355 | V | 87.9 | Confident | 84 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 118.9 | -176.7 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | H1265 C1266 M1267 F1280 F1302 L1313 I1326 I1341 I1353 V1357 | H1265-V1355 PolarHBondContact O-N 3.23Å; C1266-V1355 CarbonylContact C-O 3.58Å; C1266-V1355 WeakPolarHBondContact CA-O 3.37Å; C1266-V1355 PolarHBondContact SG-O 3.35Å; M1267-V1355 PolarHBondContact N-O 3.13Å; F1280-V1355 HydrophobicContact CZ-CG1 4.17Å; F1302-V1355 HydrophobicContact CE1-CG2 4.38Å; F1302-V1355 HydrophobicContact CZ-CG2 4.13Å; L1313-V1355 HydrophobicContact CD2-CG2 4.09Å; I1326-V1355 HydrophobicContact CG2-CG1 4.36Å; I1341-V1355 HydrophobicContact CD1-CG1 3.91Å; I1341-V1355 HydrophobicContact CD1-CG2 4.05Å; I1353-V1355 HydrophobicContact CD1-CG2 4.06Å; I1353-V1355 HydrophobicContact CG1-CG2 4.38Å; V1355-V1357 HydrophobicContact CG1-CG1 4.32Å |
| 1356 | S | 86.1 | Confident | 83.1 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 134.9 | 172.4 | -61.3 | 0 | 0 | 0 | 0 | 109.9 | M1267 S1327 G1328 | M1267-S1356 CarbonylContact O-C 3.56Å; M1267-S1356 VanDerWaalsContact O-CA 3.31Å; M1267-S1356 WeakPolarHBondContact O-CA 3.42Å; S1327-S1356 PolarHBondContact N-O 3.42Å; S1327-S1356 WeakPolarHBondContact OG-CB 3.42Å; S1327-S1356 PolarHBondContact OG-O 2.85Å; G1328-S1356 PolarHBondContact N-O 3Å; G1328-S1356 PolarHBondContact O-N 2.87Å |
| 1357 | V | 89.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 150.2 | 176.1 | -62 | 0 | 0 | 0 | 0 | 110.3 | M1267 E1268 E1269 P1275 L1278 I1315 Y1324 E1325 I1326 V1355 | M1267-V1357 PolarHBondContact O-N 3.13Å; E1268-V1357 CarbonylContact C-O 3.49Å; E1268-V1357 VanDerWaalsContact CA-O 3.26Å; E1268-V1357 WeakPolarHBondContact CA-O 3.46Å; E1268-V1357 HydrophobicContact CB-CG2 4.48Å; E1269-V1357 PolarHBondContact N-O 2.93Å; P1275-V1357 HydrophobicContact CB-CG2 4.12Å; P1275-V1357 HydrophobicContact CG-CG2 3.73Å; L1278-V1357 HydrophobicContact CD2-CG1 4.03Å; L1278-V1357 HydrophobicContact CD2-CG2 4.35Å; I1315-V1357 HydrophobicContact CD1-CG1 4.46Å; Y1324-V1357 HydrophobicContact CD1-CB 4.08Å; Y1324-V1357 HydrophobicContact CD1-CG2 3.66Å; Y1324-V1357 HydrophobicContact CE1-CG2 4.06Å; Y1324-V1357 HydrophobicContact CG-CG2 4.46Å; E1325-V1357 CarbonylContact O-C 3.58Å; E1325-V1357 VanDerWaalsContact O-CA 3.22Å; E1325-V1357 WeakPolarHBondContact O-CA 3.48Å; E1325-V1357 WeakPolarHBondContact O-CB 3.34Å; I1326-V1357 HydrophobicContact CG1-CG1 4.47Å; V1355-V1357 HydrophobicContact CG1-CG1 4.32Å |
| 1358 | N | 86 | Confident | 81.9 | Confident | 43 Ų | 43 | 49.5 Ų | 49.5 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 142.8 | 168.8 | -86 | -33.7 | 0 | 0 | 0 | 110.1 | E1269 Y1324 E1325 S1327 | E1269-N1358 WeakPolarHBondContact CB-OD1 3.12Å; E1269-N1358 PolarHBondContact OE2-ND2 2.96Å; Y1324-N1358 CarbonylContact C-O 3.6Å; Y1324-N1358 WeakPolarHBondContact CA-O 3.27Å; E1325-N1358 PolarHBondContact N-O 3.25Å; E1325-N1358 PolarHBondContact O-N 3.05Å; S1327-N1358 VanDerWaalsContact CB-ND2 3.32Å; S1327-N1358 WeakPolarHBondContact CB-ND2 3.34Å |
| 1359 | K | 86.4 | Confident | 81.2 | Confident | 47 Ų | 47 | 50.4 Ų | 50.4 | 20% | 0.204 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 136.9 | 164.5 | -91.4 | -179 | 177 | 174.3 | 0 | 109.4 | L1323 Y1324 A1364 E1366 | L1323-K1359 CarbonylContact O-C 3.57Å; L1323-K1359 WeakPolarHBondContact O-CA 3.31Å; Y1324-K1359 HydrophobicContact CD1-CG 3.94Å; Y1324-K1359 HydrophobicContact CE1-CB 4.49Å; Y1324-K1359 HydrophobicContact CE1-CD 4.48Å; Y1324-K1359 HydrophobicContact CE1-CG 3.51Å; Y1324-K1359 HydrophobicContact CE2-CG 4.36Å; Y1324-K1359 WeakPolarHBondContact OH-CE 3.45Å; K1359-A1364 PolarHBondContact NZ-O 2.62Å; K1359-E1366 WeakPolarHBondContact CE-O 3.38Å; K1359-E1366 PolarHBondContact NZ-O 3.18Å |
| 1360 | R | 86.9 | Confident | 80.5 | Confident | 103 Ų | 103 | 53.6 Ų | 53.6 | 39% | 0.389 | 30% | 0.301 | S | S | . | . | trans | -63.6 | 139.4 | 170.1 | -61 | -170.7 | -173.8 | -147.3 | -2.8 | 109.4 | Q1321 K1322 L1323 E1362 F1363 | Q1321-R1360 PolarHBondContact O-NE 3.26Å; Q1321-R1360 PolarHBondContact O-NH2 3.31Å; K1322-R1360 WeakPolarHBondContact O-CD 3.21Å; L1323-R1360 PolarHBondContact O-N 3.42Å; R1360-E1362 PolarHBondContact O-N 3.1Å; R1360-F1363 HydrophobicContact CB-CD2 4.35Å; R1360-F1363 PolarHBondContact O-N 3.03Å | ||
| 1361 | A | 79.4 | Confident | 79.5 | Confident | 101 Ų | 101 | 55.5 Ų | 55.5 | 84% | 0.835 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -53.5 | -34.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1363 | A1361-F1363 PolarHBondContact O-N 3.39Š|
| 1362 | E | 81 | Confident | 77.5 | Confident | 168 Ų | 168 | 58.3 Ų | 58.3 | 79% | 0.785 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -65.5 | -19.5 | 179.3 | -61.5 | 176.7 | -166.2 | 0 | 0 | 114 | R1360 | R1360-E1362 PolarHBondContact O-N 3.1Š|
| 1363 | F | 80.6 | Confident | 75.3 | Confident | 37 Ų | 37 | 60.5 Ų | 60.5 | 16% | 0.162 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -127.1 | 24.6 | -172.6 | -54.9 | -73.3 | 0 | 0 | 0 | 113.8 | K1322 L1323 R1360 A1361 S1365 E1366 | K1322-F1363 HydrophobicContact CD-CZ 4.32Å; K1322-F1363 VanDerWaalsContact CE-CE1 3.44Å; K1322-F1363 HydrophobicContact CG-CE2 3.98Å; K1322-F1363 HydrophobicContact CG-CZ 4.15Å; K1322-F1363 WeakPolarHBondContact O-CD2 3.31Å; L1323-F1363 HydrophobicContact CD2-CB 3.29Å; L1323-F1363 HydrophobicContact CD2-CD1 4.03Å; L1323-F1363 HydrophobicContact CD2-CD2 4.24Å; L1323-F1363 HydrophobicContact CD2-CG 3.6Å; R1360-F1363 HydrophobicContact CB-CD2 4.35Å; R1360-F1363 PolarHBondContact O-N 3.03Å; A1361-F1363 PolarHBondContact O-N 3.39Å; F1363-S1365 PolarHBondContact O-N 3.08Å; F1363-S1365 VanDerWaalsContact O-N 3.17Å; F1363-E1366 HydrophobicContact CB-CB 4.46Å; F1363-E1366 WeakPolarHBondContact CD1-OE2 3.47Å; F1363-E1366 PolarHBondContact O-N 2.93Å; F1363-E1366 VanDerWaalsContact O-N 3.1Å |
| 1364 | A | 71.9 | Confident | 73 | Confident | 67 Ų | 67 | 63.3 Ų | 63.3 | 55% | 0.554 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -40.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1359 | K1359-A1364 PolarHBondContact NZ-O 2.62Š|
| 1365 | S | 72.7 | Confident | 70.6 | Confident | 122 Ų | 122 | 68 Ų | 68 | 85% | 0.853 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -14.4 | -178.8 | 57.4 | 0 | 0 | 0 | 0 | 115.1 | F1363 | F1363-S1365 PolarHBondContact O-N 3.08Å; F1363-S1365 VanDerWaalsContact O-N 3.17Å |
| 1366 | E | 73.6 | Confident | 68 | Low | 61 Ų | 61 | 72.5 Ų | 72.5 | 29% | 0.285 | 42% | 0.42 | S | S | . | . | trans | -78.1 | 133.4 | -178.5 | -86.4 | -167.2 | 157.9 | 0 | 0 | 111.5 | L1323 K1359 F1363 | L1323-E1366 HydrophobicContact CD2-CB 3.96Å; L1323-E1366 WeakPolarHBondContact CD2-OE2 3.43Å; K1359-E1366 WeakPolarHBondContact CE-O 3.38Å; K1359-E1366 PolarHBondContact NZ-O 3.18Å; F1363-E1366 HydrophobicContact CB-CB 4.46Å; F1363-E1366 WeakPolarHBondContact CD1-OE2 3.47Å; F1363-E1366 PolarHBondContact O-N 2.93Å; F1363-E1366 VanDerWaalsContact O-N 3.1Å | ||
| 1367 | S | 74.8 | Confident | 65.4 | Low | 39 Ų | 39 | 75.7 Ų | 75.7 | 27% | 0.273 | 43% | 0.434 | S | S | . | . | trans | -87.2 | 139.6 | 174.6 | 163.6 | 0 | 0 | 0 | 0 | 110.4 | K1319 L1369 D1370 | K1319-S1367 PolarHBondContact NZ-O 2.64Å; K1319-S1367 VanDerWaalsContact NZ-O 3.14Å; S1367-L1369 PolarHBondContact O-N 2.92Å; S1367-L1369 PolarHBondContact OG-N 2.6Å; S1367-D1370 WeakPolarHBondContact CB-OD2 3.36Å; S1367-D1370 PolarHBondContact OG-N 2.88Å; S1367-D1370 PolarHBondContact OG-OD2 3.4Å | ||
| 1368 | M | 78.3 | Confident | 62.6 | Low | 20 Ų | 20 | 80.6 Ų | 80.6 | 10% | 0.099 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -55.2 | -37 | 175.9 | -172.5 | 104.3 | -63.8 | 0 | 0 | 111 | L1278 K1319 L1323 Y1324 | L1278-M1368 HydrophobicContact CB-SD 4.17Å; L1278-M1368 HydrophobicContact CD1-SD 4.08Å; K1319-M1368 WeakPolarHBondContact CE-O 3.46Å; K1319-M1368 HydrophobicContact CG-CE 4.39Å; K1319-M1368 PolarHBondContact NZ-O 2.99Å; L1323-M1368 HydrophobicContact CB-CE 3.79Å; L1323-M1368 HydrophobicContact CD1-CE 3.31Å; L1323-M1368 HydrophobicContact CG-CE 3.98Å; Y1324-M1368 HydrophobicContact CD2-CE 3.68Å; Y1324-M1368 HydrophobicContact CD2-SD 3.99Å; Y1324-M1368 HydrophobicContact CE2-CE 3.59Å; Y1324-M1368 HydrophobicContact CE2-SD 3.73Å |
| 1369 | L | 76.9 | Confident | 60.1 | Low | 22 Ų | 22 | 89.7 Ų | 89.7 | 12% | 0.115 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -100.6 | -18.8 | -171.4 | -62.1 | 177.3 | 0 | 0 | 0 | 114.6 | R1276 S1367 R1596 A1598 | R1276-L1369 HydrophobicContact CG-CD1 3.96Å; S1367-L1369 PolarHBondContact O-N 2.92Å; S1367-L1369 PolarHBondContact OG-N 2.6Å; L1369-R1596 WeakPolarHBondContact O-CG 3.42Å; L1369-A1598 HydrophobicContact CD1-CB 4.03Å |
| 1370 | D | 66.6 | Low | 57.3 | Low | 107 Ų | 107 | 92.1 Ų | 92.1 | 57% | 0.572 | 51% | 0.506 | S | S | * | . | trans | -90.2 | 147.5 | -179.4 | -58.9 | -53 | 0 | 0 | 0 | 112.8 | K1319 S1367 | K1319-D1370 PolarHBondContact NZ-O 2.93Å; S1367-D1370 WeakPolarHBondContact CB-OD2 3.36Å; S1367-D1370 PolarHBondContact OG-N 2.88Å; S1367-D1370 PolarHBondContact OG-OD2 3.4Å | ||
| 1371 | D | 52.1 | Low | 54.7 | Low | 48 Ų | 48 | 93.2 Ų | 93.2 | 26% | 0.257 | 52% | 0.52 | S | S | . | . | trans | -102.4 | 120.5 | 168.6 | -86 | -0.8 | 0 | 0 | 0 | 108.8 | S1373 E1374 R1596 | D1371-S1373 PolarHBondContact O-N 3.12Å; D1371-E1374 PolarHBondContact O-N 3.02Å; D1371-R1596 IonicContact OD1-CZ 2.9Å; D1371-R1596 IonicContact OD1-NH2 3.93Å; D1371-R1596 PolarHBondContact OD1-NH2 3.38Å; D1371-R1596 IonicContact OD2-CZ 3.84Å; D1371-R1596 VanDerWaalsContact OD2-CZ 3.26Å; D1371-R1596 IonicContact OD2-NH1 3.92Å; D1371-R1596 PolarHBondContact OD2-NH1 3.06Å; D1371-R1596 IonicContact OD2-NH2 2.68Å; D1371-R1596 PolarHBondContact OD2-NH2 3.26Å | ||
| 1372 | S | 41.6 | Very low | 52.4 | Low | 101 Ų | 101 | 97.3 Ų | 97.3 | 71% | 0.706 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 6.8 | 172.3 | 44.5 | 0 | 0 | 0 | 0 | 114 | ||
| 1373 | S | 40.2 | Very low | 49.8 | Very low | 64 Ų | 64 | 96.8 Ų | 96.8 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -2.4 | 177.7 | 56.9 | 0 | 0 | 0 | 0 | 115.5 | D1371 | D1371-S1373 PolarHBondContact O-N 3.12Š|
| 1374 | E | 38.1 | Very low | 47.2 | Very low | 59 Ų | 59 | 100.5 Ų | 100.5 | 28% | 0.276 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -109.7 | -5.6 | -177.2 | -75.6 | -171.1 | 176.5 | 0 | 0 | 115.9 | D1371 S1376 N1377 W1415 | D1371-E1374 PolarHBondContact O-N 3.02Å; E1374-S1376 PolarHBondContact O-N 2.99Å; E1374-N1377 PolarHBondContact O-N 3.39Å; E1374-W1415 HydrophobicContact CG-CH2 4.02Å; E1374-W1415 HydrophobicContact CG-CZ2 3.68Å; E1374-W1415 VanDerWaalsContact OE1-CH2 3.23Å; E1374-W1415 WeakPolarHBondContact OE1-CH2 3.49Å; E1374-W1415 WeakPolarHBondContact OE1-CZ2 3.42Å |
| 1375 | E | 31.4 | Very low | 45.1 | Very low | 182 Ų | 182 | 105.5 Ų | 105.5 | 85% | 0.85 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -8.2 | -179.3 | -78.2 | -169.2 | 153 | 0 | 0 | 114.6 | ||
| 1376 | S | 33.1 | Very low | 43.2 | Very low | 97 Ų | 97 | 104 Ų | 104 | 68% | 0.678 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -13.3 | 170.6 | 58.1 | 0 | 0 | 0 | 0 | 114.4 | E1374 | E1374-S1376 PolarHBondContact O-N 2.99Š|
| 1377 | N | 32.7 | Very low | 40.9 | Very low | 102 Ų | 102 | 109.5 Ų | 109.5 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.6 | -6.3 | -173.3 | -74.2 | -27 | 0 | 0 | 0 | 115.3 | E1374 W1379 | E1374-N1377 PolarHBondContact O-N 3.39Å; N1377-W1379 PolarHBondContact O-N 3.36Å |
| 1378 | N | 30.1 | Very low | 38.7 | Very low | 103 Ų | 103 | 111.6 Ų | 111.6 | 55% | 0.551 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 0.9 | -176.3 | -99.4 | -19.4 | 0 | 0 | 0 | 116.1 | ||
| 1379 | W | 33.6 | Very low | 36.5 | Very low | 234 Ų | 234 | 115.4 Ų | 115.4 | 89% | 0.886 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -18.9 | 169.3 | -177.3 | 62.6 | 0 | 0 | 0 | 113.1 | N1377 | N1377-W1379 PolarHBondContact O-N 3.36Š|
| 1380 | L | 27.6 | Very low | 34.1 | Very low | 97 Ų | 97 | 119.8 Ų | 119.8 | 51% | 0.508 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -91.9 | -15.6 | -175.7 | -84.7 | 154.8 | 0 | 0 | 0 | 115.1 | ||
| 1381 | N | 33.2 | Very low | 32.4 | Very low | 127 Ų | 127 | 117.8 Ų | 117.8 | 68% | 0.679 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 1.1 | -174.2 | -81.2 | -19.9 | 0 | 0 | 0 | 115.3 | ||
| 1382 | K | 30.2 | Very low | 31.3 | Very low | 186 Ų | 186 | 121.7 Ų | 121.7 | 81% | 0.809 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -1.3 | -176.9 | -128.8 | 176.1 | -175.9 | 177 | 0 | 115.1 | ||
| 1383 | H | 25.9 | Very low | 30.7 | Very low | 157 Ų | 157 | 126.7 Ų | 126.7 | 73% | 0.727 | 64% | 0.644 | S | S | * | * | trans | -125.1 | 76.1 | 175.5 | -75.9 | -71.3 | 0 | 0 | 0 | 111.6 | E1385 | H1383-E1385 VanDerWaalsContact C-N 3.31Å; H1383-E1385 PolarHBondContact O-N 3.46Å | ||
| 1384 | S | 27.1 | Very low | 30.1 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 79.8 | 169.5 | 63.1 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1385 | E | 28 | Very low | 29.8 | Very low | 173 Ų | 173 | 131.5 Ų | 131.5 | 81% | 0.808 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.2 | -10.6 | 159.6 | -113.6 | 171.9 | -161.1 | 0 | 0 | 112.9 | H1383 | H1383-E1385 VanDerWaalsContact C-N 3.31Å; H1383-E1385 PolarHBondContact O-N 3.46Å |
| 1386 | V | 31.4 | Very low | 29.8 | Very low | 89 Ų | 89 | 130.9 Ų | 130.9 | 54% | 0.539 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -104.6 | -19.9 | -174.8 | -177.5 | 0 | 0 | 0 | 0 | 113.4 | T1389 L1390 | V1386-T1389 PolarHBondContact O-N 3Å; V1386-L1390 HydrophobicContact CG1-CD1 4.09Å |
| 1387 | W | 26.1 | Very low | 29.5 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 67% | 0.67 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -80.1 | -19.2 | -176.5 | -88.3 | 84.9 | 0 | 0 | 0 | 115.1 | T1389 S1391 | W1387-T1389 VanDerWaalsContact C-N 3.28Å; W1387-S1391 PolarHBondContact O-N 2.93Å |
| 1388 | S | 28.9 | Very low | 29.2 | Very low | 84 Ų | 84 | 136.4 Ų | 136.4 | 59% | 0.587 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -77.3 | -14.7 | 171.7 | 56.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1389 | T | 31.5 | Very low | 29.2 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 61% | 0.607 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -93.7 | -21.7 | 177.9 | -31.1 | 0 | 0 | 0 | 0 | 112.4 | V1386 W1387 | V1386-T1389 PolarHBondContact O-N 3Å; W1387-T1389 VanDerWaalsContact C-N 3.28Å |
| 1390 | L | 27.3 | Very low | 29 | Very low | 115 Ų | 115 | 130 Ų | 130 | 60% | 0.602 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -96.8 | -20.9 | -179.5 | -99.1 | 134.8 | 0 | 0 | 0 | 114.3 | V1386 N1392 Y1393 | V1386-L1390 HydrophobicContact CG1-CD1 4.09Å; L1390-N1392 VanDerWaalsContact C-N 3.29Å; L1390-N1392 PolarHBondContact O-N 3.18Å; L1390-Y1393 PolarHBondContact O-N 2.96Å |
| 1391 | S | 30 | Very low | 29.7 | Very low | 64 Ų | 64 | 135 Ų | 135 | 45% | 0.448 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.3 | -26.6 | 173.8 | 67 | 0 | 0 | 0 | 0 | 113 | W1387 | W1387-S1391 PolarHBondContact O-N 2.93Š|
| 1392 | N | 29.9 | Very low | 29.6 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 70% | 0.695 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -4 | -179.1 | -68.4 | -11.3 | 0 | 0 | 0 | 113.9 | L1390 | L1390-N1392 VanDerWaalsContact C-N 3.29Å; L1390-N1392 PolarHBondContact O-N 3.18Å |
| 1393 | Y | 27.8 | Very low | 29.8 | Very low | 207 Ų | 207 | 128 Ų | 128 | 81% | 0.812 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -106.2 | -6.9 | -178.8 | -137.2 | -95.5 | 0 | 0 | 0 | 113.4 | L1390 | L1390-Y1393 PolarHBondContact O-N 2.96Š|
| 1394 | A | 28.4 | Very low | 30.2 | Very low | 66 Ų | 66 | 123 Ų | 123 | 55% | 0.545 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -100 | -7.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1395 | D | 32.4 | Very low | 30.5 | Very low | 158 Ų | 158 | 122.6 Ų | 122.6 | 85% | 0.845 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -87.1 | -7.2 | 178.8 | -81.8 | -19.8 | 0 | 0 | 0 | 114 | ||
| 1396 | E | 30.5 | Very low | 30.8 | Very low | 168 Ų | 168 | 122.8 Ų | 122.8 | 79% | 0.785 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -107.3 | -13.7 | -173.9 | -142 | 172.2 | -172.1 | 0 | 0 | 115 | ||
| 1397 | Y | 27.5 | Very low | 30.9 | Very low | 214 Ų | 214 | 126.3 Ų | 126.3 | 84% | 0.839 | 66% | 0.662 | S | S | * | * | trans | -150.7 | 88.9 | 178.9 | -87.2 | -90.5 | 0 | 0 | 0 | 112.9 | ||||
| 1398 | C | 26.9 | Very low | 31.4 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 69% | 0.689 | 65% | 0.653 | S | S | * | * | trans | -148.3 | 119.9 | 160 | -136.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 1399 | P | 28.6 | Very low | 31.8 | Very low | 87 Ų | 87 | 121.8 Ų | 121.8 | 57% | 0.565 | 65% | 0.649 | S | S | * | * | trans | -78.6 | 154.1 | -170.5 | 29.6 | -32.7 | 0 | 0 | 0 | 114 | W1401 | P1399-W1401 PolarHBondContact O-N 3.2Š| ||
| 1400 | S | 30.7 | Very low | 32 | Very low | 115 Ų | 115 | 119.1 Ų | 119.1 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -59.7 | -3.3 | -164.5 | 60.9 | 0 | 0 | 0 | 0 | 118.7 | S1403 | S1400-S1403 PolarHBondContact O-OG 2.84Å; S1400-S1403 VanDerWaalsContact O-OG 3.09Å |
| 1401 | W | 40.6 | Very low | 32.2 | Very low | 201 Ų | 201 | 117 Ų | 117 | 76% | 0.761 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -87.2 | -10 | -176.2 | 74.9 | -79.2 | 0 | 0 | 0 | 114.5 | P1399 | P1399-W1401 PolarHBondContact O-N 3.2Š|
| 1402 | L | 31.3 | Very low | 32.3 | Very low | 81 Ų | 81 | 121.7 Ų | 121.7 | 42% | 0.424 | 65% | 0.646 | S | S | . | * | G | 310 helix | trans | -91 | 1.4 | 177.6 | -90.5 | 158.1 | 0 | 0 | 0 | 114.7 | G1404 L1405 | L1402-G1404 VanDerWaalsContact C-N 3.27Å; L1402-G1404 PolarHBondContact O-N 2.88Å; L1402-L1405 PolarHBondContact O-N 2.93Å |
| 1403 | S | 35.5 | Very low | 32.4 | Very low | 85 Ų | 85 | 119 Ų | 119 | 59% | 0.594 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.4 | -25.8 | 176.9 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | S1400 | S1400-S1403 PolarHBondContact O-OG 2.84Å; S1400-S1403 VanDerWaalsContact O-OG 3.09Å |
| 1404 | G | 33.8 | Very low | 32.6 | Very low | 53 Ų | 53 | 113.1 Ų | 113.1 | 55% | 0.546 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -74 | -26.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1402 | L1402-G1404 VanDerWaalsContact C-N 3.27Å; L1402-G1404 PolarHBondContact O-N 2.88Å |
| 1405 | L | 33.7 | Very low | 32.8 | Very low | 106 Ų | 106 | 115.9 Ų | 115.9 | 56% | 0.555 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -79.6 | -27 | -178 | -136.4 | 88.5 | 0 | 0 | 0 | 112.4 | L1402 H1407 S1408 I1409 | L1402-L1405 PolarHBondContact O-N 2.93Å; L1405-H1407 VanDerWaalsContact C-N 3.33Å; L1405-H1407 PolarHBondContact O-N 3.31Å; L1405-S1408 PolarHBondContact O-N 3.34Å; L1405-I1409 HydrophobicContact CD2-CD1 3.81Å; L1405-I1409 HydrophobicContact CG-CD1 4.1Å; L1405-I1409 WeakPolarHBondContact O-CG1 3.36Å; L1405-I1409 PolarHBondContact O-N 3.04Å |
| 1406 | K | 34.1 | Very low | 32.8 | Very low | 177 Ų | 177 | 114.3 Ų | 114.3 | 77% | 0.77 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.1 | -32.6 | 179 | -135.5 | 177.7 | -175.7 | -178.5 | 0 | 112.2 | A1410 | K1406-A1410 WeakPolarHBondContact O-CB 3.41Å |
| 1407 | H | 33.6 | Very low | 32.9 | Very low | 163 Ų | 163 | 114.2 Ų | 114.2 | 76% | 0.755 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -79.2 | -25.3 | 176.7 | -92.8 | -73.4 | 0 | 0 | 0 | 114.3 | L1405 | L1405-H1407 VanDerWaalsContact C-N 3.33Å; L1405-H1407 PolarHBondContact O-N 3.31Å |
| 1408 | S | 36.1 | Very low | 33.2 | Very low | 70 Ų | 70 | 109.1 Ų | 109.1 | 49% | 0.49 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -86.8 | -24.2 | -178.9 | 177.7 | 0 | 0 | 0 | 0 | 113.9 | L1405 S1411 | L1405-S1408 PolarHBondContact O-N 3.34Å; S1408-S1411 PolarHBondContact O-OG 3.25Å; S1408-S1411 VanDerWaalsContact O-OG 3.07Å |
| 1409 | I | 37.6 | Very low | 33.6 | Very low | 97 Ų | 97 | 108 Ų | 108 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -91.1 | -31.9 | -179.4 | -62.7 | 170.8 | 0 | 0 | 0 | 110.6 | L1405 S1411 H1412 | L1405-I1409 HydrophobicContact CD2-CD1 3.81Å; L1405-I1409 HydrophobicContact CG-CD1 4.1Å; L1405-I1409 WeakPolarHBondContact O-CG1 3.36Å; L1405-I1409 PolarHBondContact O-N 3.04Å; I1409-S1411 PolarHBondContact O-N 3.34Å; I1409-H1412 PolarHBondContact O-N 3.27Å |
| 1410 | A | 35.6 | Very low | 33.9 | Very low | 42 Ų | 42 | 107.2 Ų | 107.2 | 35% | 0.347 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.5 | -25.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | K1406 | K1406-A1410 WeakPolarHBondContact O-CB 3.41Š|
| 1411 | S | 30.9 | Very low | 34.6 | Very low | 72 Ų | 72 | 109 Ų | 109 | 50% | 0.503 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.9 | -9.4 | 179 | 58.3 | 0 | 0 | 0 | 0 | 115 | S1408 I1409 | S1408-S1411 PolarHBondContact O-OG 3.25Å; S1408-S1411 VanDerWaalsContact O-OG 3.07Å; I1409-S1411 PolarHBondContact O-N 3.34Å |
| 1412 | H | 32.5 | Very low | 35.2 | Very low | 161 Ų | 161 | 103 Ų | 103 | 75% | 0.745 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -113 | 1.7 | -177.7 | -78.1 | -68.7 | 0 | 0 | 0 | 114.5 | I1409 | I1409-H1412 PolarHBondContact O-N 3.27Š|
| 1413 | L | 31.8 | Very low | 36.9 | Very low | 75 Ų | 75 | 106.3 Ų | 106.3 | 39% | 0.393 | 58% | 0.583 | S | S | . | * | trans | -83.1 | 124.4 | 172.7 | -77.4 | 158.2 | 0 | 0 | 0 | 110.4 | W1415 H1416 | L1413-W1415 PolarHBondContact O-N 2.78Å; L1413-H1416 PolarHBondContact O-N 3.02Å | ||
| 1414 | P | 32.5 | Very low | 39.5 | Very low | 83 Ų | 83 | 104.5 Ų | 104.5 | 54% | 0.539 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -58.9 | -20.9 | -175.6 | -22.4 | 31.5 | 0 | 0 | 0 | 114.4 | ||
| 1415 | W | 33.6 | Very low | 42.4 | Very low | 123 Ų | 123 | 102 Ų | 102 | 47% | 0.466 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -82.8 | -16.2 | -174.9 | -38 | -37.6 | 0 | 0 | 0 | 112.9 | E1374 L1413 | E1374-W1415 HydrophobicContact CG-CH2 4.02Å; E1374-W1415 HydrophobicContact CG-CZ2 3.68Å; E1374-W1415 VanDerWaalsContact OE1-CH2 3.23Å; E1374-W1415 WeakPolarHBondContact OE1-CH2 3.49Å; E1374-W1415 WeakPolarHBondContact OE1-CZ2 3.42Å; L1413-W1415 PolarHBondContact O-N 2.78Å |
| 1416 | H | 32.4 | Very low | 45.4 | Very low | 126 Ų | 126 | 97.8 Ų | 97.8 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -86.1 | -13.4 | 179.5 | -126 | -66.9 | 0 | 0 | 0 | 113.8 | L1413 | L1413-H1416 PolarHBondContact O-N 3.02Š|
| 1417 | K | 31.2 | Very low | 48.4 | Very low | 165 Ų | 165 | 89.4 Ų | 89.4 | 72% | 0.717 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -85.3 | -16.6 | 178.1 | -92.3 | -174.3 | 176.7 | -179.9 | 0 | 114.7 | S1420 | K1417-S1420 PolarHBondContact O-OG 3.34Š|
| 1418 | C | 34.7 | Very low | 51.4 | Low | 107 Ų | 107 | 81.7 Ų | 81.7 | 72% | 0.723 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -89.3 | -17.4 | 174.5 | -72 | 0 | 0 | 0 | 0 | 113.2 | S1420 | C1418-S1420 VanDerWaalsContact C-N 3.35Š|
| 1419 | A | 35.7 | Very low | 54.2 | Low | 80 Ų | 80 | 78.4 Ų | 78.4 | 66% | 0.661 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -84 | -7.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1420 | S | 34.3 | Very low | 56.8 | Low | 70 Ų | 70 | 74.1 Ų | 74.1 | 49% | 0.49 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -91.2 | 109.4 | 177.4 | 58.7 | 0 | 0 | 0 | 0 | 111 | K1417 C1418 | K1417-S1420 PolarHBondContact O-OG 3.34Å; C1418-S1420 VanDerWaalsContact C-N 3.35Å |
| 1421 | N | 44.6 | Very low | 59.4 | Low | 152 Ų | 152 | 72.3 Ų | 72.3 | 81% | 0.813 | 39% | 0.389 | S | S | * | . | trans | 92.9 | 39.2 | 171.7 | -58 | 0.8 | 0 | 0 | 0 | 118.5 | ||||
| 1422 | Q | 52.8 | Low | 62.1 | Low | 76 Ų | 76 | 70.4 Ų | 70.4 | 36% | 0.355 | 38% | 0.376 | S | S | . | . | trans | -94.7 | 86.9 | 147.3 | -77.3 | -163 | -33.5 | 0 | 0 | 108.7 | T1424 T1521 | Q1422-T1424 PolarHBondContact O-N 2.91Å; Q1422-T1521 PolarHBondContact OE1-OG1 3.12Å | ||
| 1423 | E | 68.1 | Low | 64.9 | Low | 149 Ų | 149 | 62.9 Ų | 62.9 | 70% | 0.696 | 34% | 0.341 | S | S | * | . | trans | -62 | -27.8 | 169.4 | -77.6 | -177.8 | 151.1 | 0 | 0 | 110.9 | P1454 | E1423-P1454 HydrophobicContact CB-CG 3.96Å; E1423-P1454 WeakPolarHBondContact O-CD 3.45Å; E1423-P1454 WeakPolarHBondContact O-CG 3.29Å | ||
| 1424 | T | 89.4 | Confident | 67.7 | Low | 47 Ų | 47 | 62.1 Ų | 62.1 | 29% | 0.288 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -88.9 | 126.1 | -172.4 | -41.5 | 0 | 0 | 0 | 0 | 113.8 | Q1422 P1454 K1456 | Q1422-T1424 PolarHBondContact O-N 2.91Å; T1424-P1454 CarbonylContact C-O 3.54Å; T1424-P1454 VanDerWaalsContact CA-O 3.24Å; T1424-P1454 WeakPolarHBondContact CA-O 3.33Å; T1424-P1454 HydrophobicContact CG2-CB 4.25Å; T1424-P1454 WeakPolarHBondContact CG2-O 3.41Å; T1424-K1456 HydrophobicContact CG2-CB 3.83Å |
| 1425 | I | 94.7 | Very high | 70.4 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123.5 | 172.6 | -53.7 | 172.6 | 0 | 0 | 0 | 109.2 | I1427 T1451 P1454 K1456 I1524 L1536 K1537 | I1425-I1427 HydrophobicContact CG2-CD1 4.25Å; I1425-I1427 HydrophobicContact CG2-CG1 4Å; I1425-T1451 HydrophobicContact CD1-CG2 4.38Å; I1425-P1454 PolarHBondContact N-O 2.81Å; I1425-K1456 PolarHBondContact O-N 3.36Å; I1425-I1524 HydrophobicContact CG2-CD1 4.19Å; I1425-L1536 HydrophobicContact CG2-CB 4.35Å; I1425-K1537 HydrophobicContact CD1-CB 3.93Å; I1425-K1537 HydrophobicContact CD1-CD 4.15Å; I1425-K1537 HydrophobicContact CG1-CD 3.89Å |
| 1426 | N | 96.4 | Very high | 73.2 | Confident | 17 Ų | 17 | 59.4 Ų | 59.4 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 119.3 | 178.3 | -65.9 | -74.5 | 0 | 0 | 0 | 111 | K1456 W1458 V1520 I1523 I1524 | N1426-K1456 WeakPolarHBondContact CA-O 3.17Å; N1426-W1458 PolarHBondContact OD1-NE1 3.34Å; N1426-V1520 HydrophobicContact CB-CG1 4.41Å; N1426-I1523 HydrophobicContact CB-CG1 4.26Å; N1426-I1524 PolarHBondContact O-N 2.9Å |
| 1427 | I | 97 | Very high | 76.2 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124.6 | -177.4 | -59 | 171.8 | 0 | 0 | 0 | 109.7 | I1425 V1447 V1455 K1456 F1457 W1458 I1524 V1526 L1536 | I1425-I1427 HydrophobicContact CG2-CD1 4.25Å; I1425-I1427 HydrophobicContact CG2-CG1 4Å; I1427-V1447 HydrophobicContact CD1-CB 4.43Å; I1427-V1447 HydrophobicContact CD1-CG1 3.53Å; I1427-V1447 HydrophobicContact CD1-CG2 4.26Å; I1427-V1455 HydrophobicContact CD1-CG1 3.77Å; I1427-V1455 HydrophobicContact CG1-CG1 4.46Å; I1427-K1456 PolarHBondContact N-O 3.22Å; I1427-F1457 HydrophobicContact CB-CD1 3.88Å; I1427-F1457 HydrophobicContact CB-CE1 4.06Å; I1427-F1457 HydrophobicContact CD1-CD1 4.49Å; I1427-F1457 HydrophobicContact CD1-CE1 3.86Å; I1427-F1457 HydrophobicContact CD1-CZ 4.29Å; I1427-F1457 HydrophobicContact CG2-CD1 3.96Å; I1427-F1457 HydrophobicContact CG2-CE1 3.99Å; I1427-F1457 CarbonylContact O-C 3.58Å; I1427-F1457 WeakPolarHBondContact O-CA 3.25Å; I1427-W1458 PolarHBondContact O-N 3.13Å; I1427-I1524 CarbonylContact C-O 3.43Å; I1427-I1524 VanDerWaalsContact CA-O 3.28Å; I1427-I1524 WeakPolarHBondContact CA-O 3.47Å; I1427-V1526 HydrophobicContact CG2-CB 4.21Å; I1427-V1526 HydrophobicContact CG2-CG2 3.82Å; I1427-L1536 HydrophobicContact CD1-CD1 3.48Å; I1427-L1536 VanDerWaalsContact CD1-CD1 3.48Å; I1427-L1536 HydrophobicContact CG1-CD1 4.22Å |
| 1428 | F | 96.7 | Very high | 79.2 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 135.4 | 173.6 | 175.9 | -129.9 | 0 | 0 | 0 | 110.6 | W1458 L1460 V1486 L1515 F1516 I1523 I1524 F1525 V1526 | F1428-W1458 WeakPolarHBondContact CA-O 3.41Å; F1428-W1458 HydrophobicContact CB-CB 4.47Å; F1428-W1458 HydrophobicContact CD2-CB 4.23Å; F1428-W1458 WeakPolarHBondContact CD2-O 3.43Å; F1428-L1460 HydrophobicContact CE2-CB 4.27Å; F1428-L1460 HydrophobicContact CZ-CB 4.47Å; F1428-V1486 HydrophobicContact CE2-CG2 4.24Å; F1428-L1515 HydrophobicContact CE2-CD2 4.21Å; F1428-L1515 HydrophobicContact CZ-CD2 3.93Å; F1428-F1516 HydrophobicContact CB-CE1 4.33Å; F1428-F1516 HydrophobicContact CB-CZ 3.93Å; F1428-F1516 AromaticContact CD1-CZ 3.91Å; F1428-F1516 HydrophobicContact CD1-CZ 3.91Å; F1428-F1516 AromaticContact CD2-CE1 3.95Å; F1428-F1516 HydrophobicContact CD2-CE1 3.95Å; F1428-F1516 AromaticContact CD2-CZ 3.72Å; F1428-F1516 HydrophobicContact CD2-CZ 3.72Å; F1428-F1516 HydrophobicContact CE1-CZ 4.38Å; F1428-F1516 HydrophobicContact CE2-CZ 4.21Å; F1428-F1516 HydrophobicContact CG-CE1 4.16Å; F1428-F1516 AromaticContact CG-CZ 3.59Å; F1428-F1516 HydrophobicContact CG-CZ 3.59Å; F1428-I1523 HydrophobicContact CB-CD1 3.82Å; F1428-I1523 HydrophobicContact CB-CG1 3.85Å; F1428-I1524 PolarHBondContact N-O 2.77Å; F1428-F1525 AromaticContact CD1-CD2 3.55Å; F1428-F1525 HydrophobicContact CD1-CD2 3.55Å; F1428-F1525 HydrophobicContact CD1-CE2 4.27Å; F1428-F1525 AromaticContact CE1-CD2 3.99Å; F1428-F1525 HydrophobicContact CE1-CD2 3.99Å; F1428-F1525 HydrophobicContact CE1-CE2 4.35Å; F1428-F1525 HydrophobicContact CG-CD2 4.26Å; F1428-F1525 WeakPolarHBondContact O-CA 3.48Å; F1428-F1525 WeakPolarHBondContact O-CD2 3.48Å; F1428-V1526 PolarHBondContact O-N 3.39Å; F1428-V1526 VanDerWaalsContact O-N 3.09Å |
| 1429 | S | 95.6 | Very high | 82 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 162.6 | 172.3 | -162.1 | 0 | 0 | 0 | 0 | 111.7 | L1440 W1458 V1526 | S1429-L1440 WeakPolarHBondContact OG-CD1 3.47Å; S1429-W1458 PolarHBondContact N-O 3.22Å; S1429-V1526 VanDerWaalsContact CB-O 3.29Å; S1429-V1526 WeakPolarHBondContact CB-O 3.33Å; S1429-V1526 PolarHBondContact OG-O 3.39Å |
| 1430 | V | 92.2 | Very high | 84.9 | Confident | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | trans | -142.2 | 139.9 | 178 | 64 | 0 | 0 | 0 | 0 | 109.5 | L1460 I1504 K1508 F1525 | V1430-L1460 HydrophobicContact CB-CB 4.43Å; V1430-L1460 HydrophobicContact CG2-CB 4.01Å; V1430-L1460 HydrophobicContact CG2-CD2 4.25Å; V1430-I1504 HydrophobicContact CG1-CG2 3.82Å; V1430-I1504 HydrophobicContact CG2-CG2 4.03Å; V1430-K1508 HydrophobicContact CG1-CD 4.36Å; V1430-K1508 HydrophobicContact CG1-CG 4.2Å; V1430-F1525 HydrophobicContact CG1-CE2 4.27Å | ||
| 1431 | A | 90.2 | Very high | 87.8 | Confident | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | trans | -130 | 151.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | E1437 L1440 Y1463 L1464 A1528 | A1431-E1437 HydrophobicContact CB-CG 3.91Å; A1431-L1440 HydrophobicContact CB-CB 4.37Å; A1431-L1440 HydrophobicContact CB-CD2 3.87Å; A1431-Y1463 CarbonylContact O-C 3.29Å; A1431-Y1463 VanDerWaalsContact O-O 3.12Å; A1431-L1464 HydrophobicContact CB-CD2 4.02Å; A1431-A1528 HydrophobicContact CB-CB 4.34Å | ||
| 1432 | S | 88.8 | Confident | 90.2 | Very high | 33 Ų | 33 | 30.8 Ų | 30.8 | 23% | 0.231 | 15% | 0.148 | C | C | . | . | trans | -137.8 | 117.6 | 173.1 | 172.8 | 0 | 0 | 0 | 0 | 107.6 | D1237 | D1237-S1432 WeakPolarHBondContact OD2-CA 3.36Å; D1237-S1432 WeakPolarHBondContact OD2-CB 3.42Å; D1237-S1432 PolarHBondContact OD2-OG 2.94Å | ||
| 1433 | G | 89.6 | Confident | 92.2 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 87.6 | 153 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D1235 D1237 L1435 Y1436 E1437 | D1235-G1433 WeakPolarHBondContact OD1-CA 3.41Å; D1235-G1433 VanDerWaalsContact OD2-CA 3.29Å; D1235-G1433 WeakPolarHBondContact OD2-CA 3.4Å; D1237-G1433 PolarHBondContact OD2-N 3.33Å; G1433-L1435 VanDerWaalsContact C-N 3.26Å; G1433-L1435 PolarHBondContact O-N 3.32Å; G1433-Y1436 PolarHBondContact O-N 2.93Å; G1433-Y1436 VanDerWaalsContact O-N 3.13Å; G1433-E1437 PolarHBondContact O-N 2.9Å; G1433-E1437 VanDerWaalsContact O-N 3.08Å |
| 1434 | H | 91.2 | Very high | 93.6 | Very high | 59 Ų | 59 | 20.1 Ų | 20.1 | 27% | 0.273 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -61.6 | -30.5 | -172.1 | -76.7 | 176.3 | 0 | 0 | 0 | 113.7 | D1235 E1437 R1438 | D1235-H1434 HydrophobicContact CB-CB 4.45Å; D1235-H1434 PolarHBondContact OD2-N 3.31Å; H1434-E1437 IonicContact CD2-OE2 3.54Å; H1434-E1437 PolarHBondContact CD2-OE2 2.83Å; H1434-R1438 PolarHBondContact O-N 2.79Å |
| 1435 | L | 90.3 | Very high | 93.9 | Very high | 71 Ų | 71 | 17.9 Ų | 17.9 | 37% | 0.372 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -62.7 | -50.7 | 175.8 | 173.8 | 62 | 0 | 0 | 0 | 111 | G1433 E1437 R1438 L1439 L1672 | G1433-L1435 VanDerWaalsContact C-N 3.26Å; G1433-L1435 PolarHBondContact O-N 3.32Å; L1435-E1437 VanDerWaalsContact C-N 3.32Å; L1435-E1437 PolarHBondContact O-N 2.87Å; L1435-R1438 WeakPolarHBondContact O-CB 3.28Å; L1435-R1438 PolarHBondContact O-N 2.88Å; L1435-L1439 HydrophobicContact CG-CD1 4.44Å; L1435-L1439 WeakPolarHBondContact O-CG 3.29Å; L1435-L1439 PolarHBondContact O-N 3.04Å; L1435-L1439 VanDerWaalsContact O-N 3.08Å; L1435-L1672 HydrophobicContact CD1-CD1 3.72Å; L1435-L1672 HydrophobicContact CD1-CD2 3.83Å; L1435-L1672 HydrophobicContact CD1-CG 3.62Å |
| 1436 | Y | 92.3 | Very high | 93.9 | Very high | 79 Ų | 79 | 17.8 Ų | 17.8 | 31% | 0.31 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -69.5 | -31.9 | -179.5 | -80 | -82 | 0 | 0 | 0 | 111.7 | G1433 R1438 L1439 L1440 A1528 K1671 | G1433-Y1436 PolarHBondContact O-N 2.93Å; G1433-Y1436 VanDerWaalsContact O-N 3.13Å; Y1436-R1438 VanDerWaalsContact C-N 3.31Å; Y1436-R1438 PolarHBondContact O-N 2.81Å; Y1436-L1439 HydrophobicContact CD1-CD1 4.26Å; Y1436-L1439 PolarHBondContact O-N 2.78Å; Y1436-L1440 VanDerWaalsContact O-CB 3.27Å; Y1436-L1440 WeakPolarHBondContact O-CB 3.31Å; Y1436-L1440 PolarHBondContact O-N 3.01Å; Y1436-A1528 HydrophobicContact CD1-CB 4.26Å; Y1436-K1671 PolarHBondContact OH-NZ 3.48Å |
| 1437 | E | 94.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 17.1 Ų | 17.1 | 2% | 0.019 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.4 | -32.5 | 172.2 | -71.5 | 175.1 | 175.6 | 0 | 0 | 113.3 | A1431 G1433 H1434 L1435 R1441 L1464 S1465 F1468 | A1431-E1437 HydrophobicContact CB-CG 3.91Å; G1433-E1437 PolarHBondContact O-N 2.9Å; G1433-E1437 VanDerWaalsContact O-N 3.08Å; H1434-E1437 IonicContact CD2-OE2 3.54Å; H1434-E1437 PolarHBondContact CD2-OE2 2.83Å; L1435-E1437 VanDerWaalsContact C-N 3.32Å; L1435-E1437 PolarHBondContact O-N 2.87Å; E1437-R1441 WeakPolarHBondContact O-CG 3.34Å; E1437-R1441 PolarHBondContact O-N 3.37Å; E1437-R1441 VanDerWaalsContact O-N 3.14Å; E1437-R1441 PolarHBondContact O-NE 3.49Å; E1437-R1441 VanDerWaalsContact O-NE 3.1Å; E1437-L1464 HydrophobicContact CG-CD2 4.34Å; E1437-S1465 WeakPolarHBondContact OE1-CA 3.47Å; E1437-S1465 WeakPolarHBondContact OE1-CB 3.35Å; E1437-S1465 PolarHBondContact OE1-N 3.28Å; E1437-S1465 PolarHBondContact OE1-OG 3.36Å; E1437-S1465 WeakPolarHBondContact OE2-CB 3.46Å; E1437-S1465 PolarHBondContact OE2-OG 3.42Å; E1437-F1468 HydrophobicContact CB-CD2 3.92Å; E1437-F1468 HydrophobicContact CG-CB 4.25Å; E1437-F1468 HydrophobicContact CG-CD2 4.13Å; E1437-F1468 HydrophobicContact CG-CG 4.35Å |
| 1438 | R | 93.6 | Very high | 93.8 | Very high | 61 Ų | 61 | 18.5 Ų | 18.5 | 23% | 0.23 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.5 | -45.1 | 171.5 | -176.2 | 174.8 | 173.1 | -157.2 | -7.2 | 111.3 | H1434 L1435 Y1436 L1440 R1441 I1442 D1686 | H1434-R1438 PolarHBondContact O-N 2.79Å; L1435-R1438 WeakPolarHBondContact O-CB 3.28Å; L1435-R1438 PolarHBondContact O-N 2.88Å; Y1436-R1438 VanDerWaalsContact C-N 3.31Å; Y1436-R1438 PolarHBondContact O-N 2.81Å; R1438-L1440 VanDerWaalsContact C-N 3.29Å; R1438-L1440 PolarHBondContact O-N 3.32Å; R1438-R1441 PolarHBondContact O-N 3.3Å; R1438-I1442 PolarHBondContact O-N 3.32Å; R1438-D1686 IonicContact CZ-OD1 3.32Å; R1438-D1686 VanDerWaalsContact CZ-OD1 3.23Å; R1438-D1686 IonicContact CZ-OD2 3.65Å; R1438-D1686 IonicContact NE-OD1 2.9Å; R1438-D1686 PolarHBondContact NE-OD1 3.15Å; R1438-D1686 IonicContact NH2-OD1 2.75Å; R1438-D1686 PolarHBondContact NH2-OD1 2.84Å; R1438-D1686 IonicContact NH2-OD2 3.43Å; R1438-D1686 PolarHBondContact NH2-OD2 3.47Å |
| 1439 | L | 94.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.2 | -43.5 | 174.7 | -65.7 | 170.2 | 0 | 0 | 0 | 110.6 | L1435 Y1436 R1441 I1442 M1443 A1528 D1529 L1661 L1672 W1682 | L1435-L1439 HydrophobicContact CG-CD1 4.44Å; L1435-L1439 WeakPolarHBondContact O-CG 3.29Å; L1435-L1439 PolarHBondContact O-N 3.04Å; L1435-L1439 VanDerWaalsContact O-N 3.08Å; Y1436-L1439 HydrophobicContact CD1-CD1 4.26Å; Y1436-L1439 PolarHBondContact O-N 2.78Å; L1439-R1441 PolarHBondContact O-N 3.36Å; L1439-I1442 CarbonylContact O-C 3.53Å; L1439-I1442 WeakPolarHBondContact O-CA 3.41Å; L1439-I1442 WeakPolarHBondContact O-CB 3.49Å; L1439-I1442 PolarHBondContact O-N 3.16Å; L1439-M1443 PolarHBondContact O-N 3.3Å; L1439-A1528 CarbonylContact C-O 3.56Å; L1439-A1528 WeakPolarHBondContact CB-O 3.5Å; L1439-D1529 HydrophobicContact CB-CB 4.49Å; L1439-D1529 HydrophobicContact CD1-CB 3.84Å; L1439-L1661 HydrophobicContact CD2-CD1 4.4Å; L1439-L1672 HydrophobicContact CD2-CD2 4.45Å; L1439-W1682 HydrophobicContact CD2-CZ2 3.94Å |
| 1440 | L | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.8 | -45.3 | 179.1 | -177 | 63.4 | 0 | 0 | 0 | 112.4 | S1429 A1431 Y1436 R1438 I1442 M1443 M1444 F1459 L1464 F1468 A1528 | S1429-L1440 WeakPolarHBondContact OG-CD1 3.47Å; A1431-L1440 HydrophobicContact CB-CB 4.37Å; A1431-L1440 HydrophobicContact CB-CD2 3.87Å; Y1436-L1440 VanDerWaalsContact O-CB 3.27Å; Y1436-L1440 WeakPolarHBondContact O-CB 3.31Å; Y1436-L1440 PolarHBondContact O-N 3.01Å; R1438-L1440 VanDerWaalsContact C-N 3.29Å; R1438-L1440 PolarHBondContact O-N 3.32Å; L1440-I1442 PolarHBondContact O-N 2.91Å; L1440-M1443 HydrophobicContact CD1-CE 3.48Å; L1440-M1443 VanDerWaalsContact CD1-CE 3.48Å; L1440-M1443 WeakPolarHBondContact O-CB 3.47Å; L1440-M1443 PolarHBondContact O-N 3.44Å; L1440-M1444 HydrophobicContact CG-SD 4.45Å; L1440-M1444 VanDerWaalsContact O-CG 3.24Å; L1440-M1444 WeakPolarHBondContact O-CG 3.25Å; L1440-M1444 PolarHBondContact O-N 3.43Å; L1440-F1459 HydrophobicContact CD1-CE1 4.23Å; L1440-F1459 HydrophobicContact CD2-CD1 4.1Å; L1440-F1459 HydrophobicContact CD2-CE1 3.83Å; L1440-F1459 HydrophobicContact CG-CE1 4.26Å; L1440-L1464 HydrophobicContact CD2-CD2 4.32Å; L1440-F1468 HydrophobicContact CD2-CE1 4.38Å; L1440-F1468 HydrophobicContact CD2-CE2 3.77Å; L1440-F1468 HydrophobicContact CD2-CZ 3.58Å; L1440-F1468 HydrophobicContact CG-CE2 4.23Å; L1440-F1468 HydrophobicContact CG-CZ 4.25Å; L1440-A1528 HydrophobicContact CB-CB 3.96Å; L1440-A1528 HydrophobicContact CD1-CB 4.08Å; L1440-A1528 PolarHBondContact N-O 3.49Å; L1440-A1528 VanDerWaalsContact N-O 3.15Å |
| 1441 | R | 95.7 | Very high | 93.7 | Very high | 29 Ų | 29 | 28.3 Ų | 28.3 | 11% | 0.109 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.1 | -36.7 | 176.6 | -72.6 | 174 | -78 | -169 | -5.9 | 112.2 | E1437 R1438 L1439 L1445 F1468 M1475 I1689 W1693 | E1437-R1441 WeakPolarHBondContact O-CG 3.34Å; E1437-R1441 PolarHBondContact O-N 3.37Å; E1437-R1441 VanDerWaalsContact O-N 3.14Å; E1437-R1441 PolarHBondContact O-NE 3.49Å; E1437-R1441 VanDerWaalsContact O-NE 3.1Å; R1438-R1441 PolarHBondContact O-N 3.3Å; L1439-R1441 PolarHBondContact O-N 3.36Å; R1441-L1445 PolarHBondContact O-N 2.7Å; R1441-L1445 VanDerWaalsContact O-N 3.12Å; R1441-F1468 HydrophobicContact CG-CD2 4.23Å; R1441-F1468 HydrophobicContact CG-CE2 3.78Å; R1441-M1475 HydrophobicContact CB-CE 4.17Å; R1441-M1475 HydrophobicContact CB-SD 4.11Å; R1441-M1475 HydrophobicContact CG-CE 4.39Å; R1441-M1475 HydrophobicContact CG-SD 3.72Å; R1441-I1689 HydrophobicContact CB-CD1 3.94Å; R1441-I1689 HydrophobicContact CB-CG2 4.41Å; R1441-I1689 WeakPolarHBondContact O-CD1 3.14Å; R1441-W1693 VanDerWaalsContact NH1-CE3 3.35Å |
| 1442 | I | 95.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -72.6 | -44 | 177.7 | -64.4 | 166.4 | 0 | 0 | 0 | 110.1 | R1438 L1439 L1440 M1444 L1445 T1446 W1682 Y1685 D1686 I1689 | R1438-I1442 PolarHBondContact O-N 3.32Å; L1439-I1442 CarbonylContact O-C 3.53Å; L1439-I1442 WeakPolarHBondContact O-CA 3.41Å; L1439-I1442 WeakPolarHBondContact O-CB 3.49Å; L1439-I1442 PolarHBondContact O-N 3.16Å; L1440-I1442 PolarHBondContact O-N 2.91Å; I1442-M1444 VanDerWaalsContact C-N 3.29Å; I1442-M1444 PolarHBondContact O-N 3.35Å; I1442-L1445 PolarHBondContact O-N 3.19Å; I1442-L1445 VanDerWaalsContact O-N 3.14Å; I1442-T1446 HydrophobicContact CG2-CG2 4.14Å; I1442-T1446 WeakPolarHBondContact O-CG2 3.48Å; I1442-T1446 PolarHBondContact O-N 3.06Å; I1442-W1682 HydrophobicContact CD1-CD2 4.1Å; I1442-W1682 HydrophobicContact CD1-CH2 3.74Å; I1442-W1682 HydrophobicContact CD1-CZ2 3.14Å; I1442-W1682 HydrophobicContact CD1-CZ3 4.42Å; I1442-W1682 HydrophobicContact CG2-CG 4.43Å; I1442-Y1685 HydrophobicContact CG2-CD2 4.42Å; I1442-D1686 HydrophobicContact CD1-CB 3.82Å; I1442-I1689 HydrophobicContact CB-CD1 4.4Å; I1442-I1689 HydrophobicContact CG1-CD1 3.67Å |
| 1443 | M | 95.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -52.8 | -49.8 | 173.3 | -177.6 | -77.7 | -70.5 | 0 | 0 | 110.5 | L1439 L1440 L1445 T1446 V1447 F1457 V1526 Q1530 | L1439-M1443 PolarHBondContact O-N 3.3Å; L1440-M1443 HydrophobicContact CD1-CE 3.48Å; L1440-M1443 VanDerWaalsContact CD1-CE 3.48Å; L1440-M1443 WeakPolarHBondContact O-CB 3.47Å; L1440-M1443 PolarHBondContact O-N 3.44Å; M1443-L1445 PolarHBondContact O-N 3.31Å; M1443-T1446 PolarHBondContact O-N 2.68Å; M1443-T1446 VanDerWaalsContact O-N 3.12Å; M1443-T1446 PolarHBondContact O-OG1 2.04Å; M1443-V1447 PolarHBondContact O-N 3.3Å; M1443-V1447 HydrophobicContact SD-CG2 3.9Å; M1443-F1457 HydrophobicContact CE-CE1 4.49Å; M1443-V1526 HydrophobicContact CE-CB 4.27Å; M1443-V1526 HydrophobicContact CE-CG1 4.24Å; M1443-V1526 HydrophobicContact CG-CG1 3.72Å; M1443-V1526 HydrophobicContact SD-CB 4.06Å; M1443-V1526 HydrophobicContact SD-CG1 3.6Å; M1443-Q1530 VanDerWaalsContact CB-O 3.31Å; M1443-Q1530 WeakPolarHBondContact CB-O 3.41Å; M1443-Q1530 VanDerWaalsContact CG-O 3.31Å; M1443-Q1530 WeakPolarHBondContact CG-O 3.21Å |
| 1444 | M | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.6 | -46.9 | 177.4 | -66.6 | 170.5 | 64.5 | 0 | 0 | 112.4 | L1440 I1442 T1446 V1447 I1448 F1457 F1459 F1468 I1472 F1481 | L1440-M1444 HydrophobicContact CG-SD 4.45Å; L1440-M1444 VanDerWaalsContact O-CG 3.24Å; L1440-M1444 WeakPolarHBondContact O-CG 3.25Å; L1440-M1444 PolarHBondContact O-N 3.43Å; I1442-M1444 VanDerWaalsContact C-N 3.29Å; I1442-M1444 PolarHBondContact O-N 3.35Å; M1444-T1446 VanDerWaalsContact C-N 3.29Å; M1444-T1446 PolarHBondContact O-N 2.93Å; M1444-V1447 PolarHBondContact O-N 2.77Å; M1444-I1448 WeakPolarHBondContact O-CD1 3.46Å; M1444-I1448 VanDerWaalsContact O-CG1 3.29Å; M1444-I1448 WeakPolarHBondContact O-CG1 3.36Å; M1444-I1448 PolarHBondContact O-N 3.04Å; M1444-F1457 HydrophobicContact CB-CE1 4.17Å; M1444-F1457 HydrophobicContact CB-CE2 4.19Å; M1444-F1457 HydrophobicContact CB-CZ 3.81Å; M1444-F1457 HydrophobicContact CE-CD2 3.73Å; M1444-F1457 HydrophobicContact CE-CE2 3.97Å; M1444-F1457 HydrophobicContact CE-CG 4.04Å; M1444-F1457 HydrophobicContact CE-CZ 4.5Å; M1444-F1457 HydrophobicContact CG-CD1 4.04Å; M1444-F1457 HydrophobicContact CG-CE1 3.76Å; M1444-F1457 HydrophobicContact CG-CE2 4.27Å; M1444-F1457 HydrophobicContact CG-CG 4.42Å; M1444-F1457 HydrophobicContact CG-CZ 3.88Å; M1444-F1459 HydrophobicContact CE-CE2 4.5Å; M1444-F1459 HydrophobicContact CE-CZ 3.88Å; M1444-F1459 HydrophobicContact SD-CE1 4.23Å; M1444-F1459 HydrophobicContact SD-CZ 3.62Å; M1444-F1468 HydrophobicContact SD-CZ 4.34Å; M1444-I1472 HydrophobicContact CE-CD1 3.56Å; M1444-I1472 HydrophobicContact SD-CD1 3.88Å; M1444-F1481 HydrophobicContact CE-CD2 4.25Å; M1444-F1481 HydrophobicContact CE-CE1 4.09Å; M1444-F1481 HydrophobicContact CE-CE2 3.43Å; M1444-F1481 VanDerWaalsContact CE-CE2 3.43Å; M1444-F1481 HydrophobicContact CE-CZ 3.32Å |
| 1445 | L | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.1 | -38.5 | 178.6 | -173.5 | 59.2 | 0 | 0 | 0 | 111.2 | R1441 I1442 M1443 V1447 I1448 R1449 Y1479 Y1685 E1688 I1689 | R1441-L1445 PolarHBondContact O-N 2.7Å; R1441-L1445 VanDerWaalsContact O-N 3.12Å; I1442-L1445 PolarHBondContact O-N 3.19Å; I1442-L1445 VanDerWaalsContact O-N 3.14Å; M1443-L1445 PolarHBondContact O-N 3.31Å; L1445-V1447 VanDerWaalsContact C-N 3.33Å; L1445-V1447 PolarHBondContact O-N 2.83Å; L1445-I1448 PolarHBondContact O-N 2.69Å; L1445-R1449 HydrophobicContact CD1-CG 4.21Å; L1445-R1449 HydrophobicContact CG-CG 4.37Å; L1445-R1449 WeakPolarHBondContact O-CB 3.37Å; L1445-R1449 WeakPolarHBondContact O-CG 2.97Å; L1445-R1449 PolarHBondContact O-N 3.38Å; L1445-Y1479 HydrophobicContact CD1-CD1 3.68Å; L1445-Y1479 HydrophobicContact CD1-CD2 4.45Å; L1445-Y1479 HydrophobicContact CD1-CE1 3.53Å; L1445-Y1479 HydrophobicContact CD1-CE2 4.34Å; L1445-Y1479 HydrophobicContact CD1-CG 4.15Å; L1445-Y1685 HydrophobicContact CD2-CD1 3.78Å; L1445-Y1685 HydrophobicContact CD2-CG 4.29Å; L1445-Y1685 HydrophobicContact CG-CD1 3.93Å; L1445-E1688 HydrophobicContact CD2-CB 4.36Å; L1445-I1689 HydrophobicContact CB-CD1 4.28Å; L1445-I1689 HydrophobicContact CD2-CD1 3.98Å; L1445-I1689 HydrophobicContact CD2-CG1 3.92Å |
| 1446 | T | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.7 | -39.7 | 177 | 69.5 | 0 | 0 | 0 | 0 | 111.3 | I1442 M1443 M1444 H1450 I1531 V1532 Y1685 | I1442-T1446 HydrophobicContact CG2-CG2 4.14Å; I1442-T1446 WeakPolarHBondContact O-CG2 3.48Å; I1442-T1446 PolarHBondContact O-N 3.06Å; M1443-T1446 PolarHBondContact O-N 2.68Å; M1443-T1446 VanDerWaalsContact O-N 3.12Å; M1443-T1446 PolarHBondContact O-OG1 2.04Å; M1444-T1446 VanDerWaalsContact C-N 3.29Å; M1444-T1446 PolarHBondContact O-N 2.93Å; T1446-H1450 PolarHBondContact O-ND1 2.92Å; T1446-I1531 HydrophobicContact CG2-CG2 4.01Å; T1446-V1532 WeakPolarHBondContact CB-O 3.42Å; T1446-V1532 PolarHBondContact OG1-N 3.24Å; T1446-V1532 VanDerWaalsContact OG1-N 3.12Å; T1446-Y1685 HydrophobicContact CG2-CD2 3.59Å; T1446-Y1685 HydrophobicContact CG2-CE2 3.57Å; T1446-Y1685 HydrophobicContact CG2-CG 4.26Å |
| 1447 | V | 96 | Very high | 94.9 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.4 | -53.2 | 174.7 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | I1427 M1443 M1444 L1445 R1449 H1450 T1451 V1455 F1457 V1532 L1536 | I1427-V1447 HydrophobicContact CD1-CB 4.43Å; I1427-V1447 HydrophobicContact CD1-CG1 3.53Å; I1427-V1447 HydrophobicContact CD1-CG2 4.26Å; M1443-V1447 PolarHBondContact O-N 3.3Å; M1443-V1447 HydrophobicContact SD-CG2 3.9Å; M1444-V1447 PolarHBondContact O-N 2.77Å; L1445-V1447 VanDerWaalsContact C-N 3.33Å; L1445-V1447 PolarHBondContact O-N 2.83Å; V1447-R1449 PolarHBondContact O-N 3.42Å; V1447-H1450 PolarHBondContact O-N 3.41Å; V1447-T1451 PolarHBondContact O-N 2.91Å; V1447-V1455 HydrophobicContact CG1-CG1 4.37Å; V1447-V1455 HydrophobicContact CG1-CG2 4.42Å; V1447-F1457 HydrophobicContact CB-CZ 4.21Å; V1447-F1457 HydrophobicContact CG1-CZ 4.22Å; V1447-V1532 HydrophobicContact CG2-CB 4Å; V1447-V1532 HydrophobicContact CG2-CG1 4.3Å; V1447-V1532 HydrophobicContact CG2-CG2 3.76Å; V1447-L1536 HydrophobicContact CB-CD1 4.42Å; V1447-L1536 HydrophobicContact CG1-CD1 3.9Å; V1447-L1536 HydrophobicContact CG2-CD1 3.64Å |
| 1448 | I | 95.1 | Very high | 95 | Very high | 30 Ų | 30 | 31.1 Ų | 31.1 | 15% | 0.154 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.2 | -35.5 | -174.5 | -64.6 | 157.8 | 0 | 0 | 0 | 111.1 | M1444 L1445 H1450 F1457 F1481 | M1444-I1448 WeakPolarHBondContact O-CD1 3.46Å; M1444-I1448 VanDerWaalsContact O-CG1 3.29Å; M1444-I1448 WeakPolarHBondContact O-CG1 3.36Å; M1444-I1448 PolarHBondContact O-N 3.04Å; L1445-I1448 PolarHBondContact O-N 2.69Å; I1448-H1450 VanDerWaalsContact C-N 3.3Å; I1448-H1450 PolarHBondContact O-N 2.78Å; I1448-F1457 HydrophobicContact CD1-CE2 4.07Å; I1448-F1457 HydrophobicContact CG1-CE2 4.13Å; I1448-F1457 HydrophobicContact CG1-CZ 4.41Å; I1448-F1481 HydrophobicContact CD1-CB 4.28Å; I1448-F1481 HydrophobicContact CD1-CD1 3.28Å; I1448-F1481 HydrophobicContact CD1-CE1 3.76Å; I1448-F1481 HydrophobicContact CD1-CG 3.98Å; I1448-F1481 HydrophobicContact CG1-CD1 4.35Å |
| 1449 | R | 93.6 | Very high | 95.2 | Very high | 136 Ų | 136 | 28.2 Ų | 28.2 | 51% | 0.513 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -70.3 | -22.5 | 179.9 | -70.8 | -70.4 | -168.4 | -162.9 | 1.9 | 114.2 | L1445 V1447 Y1685 E1688 | L1445-R1449 HydrophobicContact CD1-CG 4.21Å; L1445-R1449 HydrophobicContact CG-CG 4.37Å; L1445-R1449 WeakPolarHBondContact O-CB 3.37Å; L1445-R1449 WeakPolarHBondContact O-CG 2.97Å; L1445-R1449 PolarHBondContact O-N 3.38Å; V1447-R1449 PolarHBondContact O-N 3.42Å; R1449-Y1685 HydrophobicContact CG-CE1 4.04Å; R1449-E1688 IonicContact CZ-OE1 3.91Å; R1449-E1688 IonicContact CZ-OE2 3.37Å; R1449-E1688 IonicContact NE-OE2 3.69Å; R1449-E1688 IonicContact NH2-OE1 3.92Å; R1449-E1688 PolarHBondContact NH2-OE1 3.05Å; R1449-E1688 IonicContact NH2-OE2 3.18Å; R1449-E1688 PolarHBondContact NH2-OE2 2.92Å |
| 1450 | H | 94.6 | Very high | 95.1 | Very high | 66 Ų | 66 | 28.1 Ų | 28.1 | 31% | 0.306 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -109 | 6 | -174.6 | -63.8 | 92.2 | 0 | 0 | 0 | 113.7 | T1446 V1447 I1448 V1532 R1533 D1535 Y1685 | T1446-H1450 PolarHBondContact O-ND1 2.92Å; V1447-H1450 PolarHBondContact O-N 3.41Å; I1448-H1450 VanDerWaalsContact C-N 3.3Å; I1448-H1450 PolarHBondContact O-N 2.78Å; H1450-V1532 PolarHBondContact CE1-O 3.12Å; H1450-V1532 PolarHBondContact ND1-O 3.2Å; H1450-R1533 PolarHBondContact CD2-O 3.15Å; H1450-D1535 WeakPolarHBondContact O-CA 3.46Å; H1450-D1535 WeakPolarHBondContact O-CB 3.34Å; H1450-Y1685 PolarHBondContact CE1-OH 2.64Å |
| 1451 | T | 93.2 | Very high | 94.9 | Very high | 12 Ų | 12 | 30 Ų | 30 | 7% | 0.074 | 15% | 0.148 | C | C | . | . | trans | -130.8 | 145.5 | 175.6 | -167.4 | 0 | 0 | 0 | 0 | 111.8 | I1425 V1447 S1453 V1455 D1535 | I1425-T1451 HydrophobicContact CD1-CG2 4.38Å; V1447-T1451 PolarHBondContact O-N 2.91Å; T1451-S1453 PolarHBondContact OG1-N 3.03Å; T1451-V1455 HydrophobicContact CG2-CG2 3.5Å; T1451-D1535 WeakPolarHBondContact CB-OD1 3.37Å; T1451-D1535 PolarHBondContact OG1-OD1 2.91Å; T1451-D1535 PolarHBondContact OG1-OD2 2.89Å | ||
| 1452 | N | 90.2 | Very high | 94.5 | Very high | 168 Ų | 168 | 30.9 Ų | 30.9 | 90% | 0.898 | 16% | 0.155 | S | C | * | . | trans | -99.5 | -5.7 | 170.4 | -63.6 | -49.5 | 0 | 0 | 0 | 112.2 | ||||
| 1453 | S | 92.3 | Very high | 94.2 | Very high | 30 Ų | 30 | 32.1 Ų | 32.1 | 21% | 0.21 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -79.8 | 147.7 | 179.2 | -56.1 | 0 | 0 | 0 | 0 | 109.9 | T1451 V1455 | T1451-S1453 PolarHBondContact OG1-N 3.03Å; S1453-V1455 WeakPolarHBondContact O-CG2 3.45Å; S1453-V1455 PolarHBondContact O-N 2.71Å |
| 1454 | P | 94.8 | Very high | 94 | Very high | 63 Ų | 63 | 32.3 Ų | 32.3 | 41% | 0.409 | 16% | 0.161 | S | C | . | . | trans | -59.2 | 138.8 | 172.8 | 20.7 | -27.8 | 0 | 0 | 0 | 110.3 | E1423 T1424 I1425 | E1423-P1454 HydrophobicContact CB-CG 3.96Å; E1423-P1454 WeakPolarHBondContact O-CD 3.45Å; E1423-P1454 WeakPolarHBondContact O-CG 3.29Å; T1424-P1454 CarbonylContact C-O 3.54Å; T1424-P1454 VanDerWaalsContact CA-O 3.24Å; T1424-P1454 WeakPolarHBondContact CA-O 3.33Å; T1424-P1454 HydrophobicContact CG2-CB 4.25Å; T1424-P1454 WeakPolarHBondContact CG2-O 3.41Å; I1425-P1454 PolarHBondContact N-O 2.81Å | ||
| 1455 | V | 95.9 | Very high | 93.9 | Very high | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.055 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 135.5 | -177.2 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | I1427 V1447 T1451 S1453 F1457 E1482 | I1427-V1455 HydrophobicContact CD1-CG1 3.77Å; I1427-V1455 HydrophobicContact CG1-CG1 4.46Å; V1447-V1455 HydrophobicContact CG1-CG1 4.37Å; V1447-V1455 HydrophobicContact CG1-CG2 4.42Å; T1451-V1455 HydrophobicContact CG2-CG2 3.5Å; S1453-V1455 WeakPolarHBondContact O-CG2 3.45Å; S1453-V1455 PolarHBondContact O-N 2.71Å; V1455-F1457 HydrophobicContact CB-CE2 4.49Å; V1455-F1457 HydrophobicContact CG1-CD2 4.04Å; V1455-F1457 HydrophobicContact CG1-CE1 4.37Å; V1455-F1457 HydrophobicContact CG1-CE2 3.62Å; V1455-F1457 HydrophobicContact CG1-CZ 3.8Å; V1455-E1482 PolarHBondContact O-N 3.09Å |
| 1456 | K | 97 | Very high | 93.8 | Very high | 37 Ų | 37 | 33.2 Ų | 33.2 | 16% | 0.161 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 121.3 | 170.5 | -173.8 | 168.4 | 179.8 | 173.7 | 0 | 110.9 | T1424 I1425 N1426 I1427 W1458 E1482 E1484 | T1424-K1456 HydrophobicContact CG2-CB 3.83Å; I1425-K1456 PolarHBondContact O-N 3.36Å; N1426-K1456 WeakPolarHBondContact CA-O 3.17Å; I1427-K1456 PolarHBondContact N-O 3.22Å; K1456-W1458 HydrophobicContact CD-CZ2 3.79Å; K1456-W1458 HydrophobicContact CG-CZ2 4.42Å; K1456-E1482 CarbonylContact C-O 3.58Å; K1456-E1482 VanDerWaalsContact CA-O 3.29Å; K1456-E1482 WeakPolarHBondContact CA-O 3.42Å; K1456-E1482 HydrophobicContact CB-CB 4.12Å; K1456-E1482 HydrophobicContact CD-CB 4.27Å; K1456-E1482 HydrophobicContact CG-CB 3.92Å; K1456-E1484 VanDerWaalsContact CE-OE2 3.31Å; K1456-E1484 WeakPolarHBondContact CE-OE2 3.32Å; K1456-E1484 IonicContact NZ-OE2 2.73Å; K1456-E1484 PolarHBondContact NZ-OE2 3.4Å |
| 1457 | F | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 135.2 | 175.9 | -68.6 | -81.3 | 0 | 0 | 0 | 112 | I1427 M1443 M1444 V1447 I1448 V1455 F1459 F1481 E1482 Y1483 E1484 | I1427-F1457 HydrophobicContact CB-CD1 3.88Å; I1427-F1457 HydrophobicContact CB-CE1 4.06Å; I1427-F1457 HydrophobicContact CD1-CD1 4.49Å; I1427-F1457 HydrophobicContact CD1-CE1 3.86Å; I1427-F1457 HydrophobicContact CD1-CZ 4.29Å; I1427-F1457 HydrophobicContact CG2-CD1 3.96Å; I1427-F1457 HydrophobicContact CG2-CE1 3.99Å; I1427-F1457 CarbonylContact O-C 3.58Å; I1427-F1457 WeakPolarHBondContact O-CA 3.25Å; M1443-F1457 HydrophobicContact CE-CE1 4.49Å; M1444-F1457 HydrophobicContact CB-CE1 4.17Å; M1444-F1457 HydrophobicContact CB-CE2 4.19Å; M1444-F1457 HydrophobicContact CB-CZ 3.81Å; M1444-F1457 HydrophobicContact CE-CD2 3.73Å; M1444-F1457 HydrophobicContact CE-CE2 3.97Å; M1444-F1457 HydrophobicContact CE-CG 4.04Å; M1444-F1457 HydrophobicContact CE-CZ 4.5Å; M1444-F1457 HydrophobicContact CG-CD1 4.04Å; M1444-F1457 HydrophobicContact CG-CE1 3.76Å; M1444-F1457 HydrophobicContact CG-CE2 4.27Å; M1444-F1457 HydrophobicContact CG-CG 4.42Å; M1444-F1457 HydrophobicContact CG-CZ 3.88Å; V1447-F1457 HydrophobicContact CB-CZ 4.21Å; V1447-F1457 HydrophobicContact CG1-CZ 4.22Å; I1448-F1457 HydrophobicContact CD1-CE2 4.07Å; I1448-F1457 HydrophobicContact CG1-CE2 4.13Å; I1448-F1457 HydrophobicContact CG1-CZ 4.41Å; V1455-F1457 HydrophobicContact CB-CE2 4.49Å; V1455-F1457 HydrophobicContact CG1-CD2 4.04Å; V1455-F1457 HydrophobicContact CG1-CE1 4.37Å; V1455-F1457 HydrophobicContact CG1-CE2 3.62Å; V1455-F1457 HydrophobicContact CG1-CZ 3.8Å; F1457-F1459 HydrophobicContact CB-CE1 4.26Å; F1457-F1459 HydrophobicContact CB-CE2 3.67Å; F1457-F1459 HydrophobicContact CB-CZ 3.49Å; F1457-F1459 VanDerWaalsContact CB-CZ 3.49Å; F1457-F1459 HydrophobicContact CD1-CZ 4.42Å; F1457-F1459 HydrophobicContact CG-CZ 4.1Å; F1457-F1481 HydrophobicContact CD2-CB 4.37Å; F1457-F1481 AromaticContact CD2-CD2 3.61Å; F1457-F1481 HydrophobicContact CD2-CD2 3.61Å; F1457-F1481 HydrophobicContact CD2-CE2 4.09Å; F1457-F1481 HydrophobicContact CD2-CG 4.06Å; F1457-F1481 HydrophobicContact CE2-CB 4.3Å; F1457-F1481 HydrophobicContact CE2-CD2 4.12Å; F1457-F1481 HydrophobicContact CE2-CG 4.12Å; F1457-E1482 PolarHBondContact N-O 3Å; F1457-Y1483 CarbonylContact O-C 3.51Å; F1457-Y1483 WeakPolarHBondContact O-CA 3.45Å; F1457-E1484 PolarHBondContact O-N 3.42Å |
| 1458 | W | 97.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.7 | 178.3 | -59 | 83.2 | 0 | 0 | 0 | 108.8 | N1426 I1427 F1428 S1429 K1456 E1484 V1486 F1516 P1517 V1520 I1523 | N1426-W1458 PolarHBondContact OD1-NE1 3.34Å; I1427-W1458 PolarHBondContact O-N 3.13Å; F1428-W1458 WeakPolarHBondContact CA-O 3.41Å; F1428-W1458 HydrophobicContact CB-CB 4.47Å; F1428-W1458 HydrophobicContact CD2-CB 4.23Å; F1428-W1458 WeakPolarHBondContact CD2-O 3.43Å; S1429-W1458 PolarHBondContact N-O 3.22Å; K1456-W1458 HydrophobicContact CD-CZ2 3.79Å; K1456-W1458 HydrophobicContact CG-CZ2 4.42Å; W1458-E1484 WeakPolarHBondContact CA-O 3.5Å; W1458-E1484 HydrophobicContact CD2-CB 4.46Å; W1458-E1484 HydrophobicContact CE3-CB 3.82Å; W1458-E1484 HydrophobicContact CE3-CG 4.28Å; W1458-E1484 HydrophobicContact CH2-CB 4.45Å; W1458-E1484 WeakPolarHBondContact CH2-OE2 3.46Å; W1458-E1484 HydrophobicContact CZ3-CB 3.82Å; W1458-E1484 VanDerWaalsContact CZ3-CD 3.43Å; W1458-E1484 HydrophobicContact CZ3-CG 3.91Å; W1458-E1484 WeakPolarHBondContact CZ3-OE2 2.88Å; W1458-V1486 HydrophobicContact CE3-CG1 3.63Å; W1458-V1486 HydrophobicContact CZ3-CG1 4.04Å; W1458-F1516 HydrophobicContact CB-CD1 4.48Å; W1458-F1516 HydrophobicContact CB-CE1 3.89Å; W1458-F1516 HydrophobicContact CD2-CD1 4.16Å; W1458-F1516 HydrophobicContact CD2-CE1 4.44Å; W1458-F1516 HydrophobicContact CE3-CD1 4.06Å; W1458-F1516 HydrophobicContact CG-CD1 4.38Å; W1458-F1516 HydrophobicContact CG-CE1 4.21Å; W1458-P1517 HydrophobicContact CH2-CG 4.31Å; W1458-P1517 HydrophobicContact CZ3-CG 4.26Å; W1458-V1520 HydrophobicContact CH2-CG2 3.76Å; W1458-V1520 HydrophobicContact CZ2-CG2 3.59Å; W1458-I1523 HydrophobicContact CB-CD1 4.39Å; W1458-I1523 HydrophobicContact CG-CD1 4.05Å |
| 1459 | F | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 142 | -177.6 | -56.8 | -68.1 | 0 | 0 | 0 | 112.9 | L1440 M1444 F1457 K1461 L1464 F1468 I1472 E1484 F1485 V1486 | L1440-F1459 HydrophobicContact CD1-CE1 4.23Å; L1440-F1459 HydrophobicContact CD2-CD1 4.1Å; L1440-F1459 HydrophobicContact CD2-CE1 3.83Å; L1440-F1459 HydrophobicContact CG-CE1 4.26Å; M1444-F1459 HydrophobicContact CE-CE2 4.5Å; M1444-F1459 HydrophobicContact CE-CZ 3.88Å; M1444-F1459 HydrophobicContact SD-CE1 4.23Å; M1444-F1459 HydrophobicContact SD-CZ 3.62Å; F1457-F1459 HydrophobicContact CB-CE1 4.26Å; F1457-F1459 HydrophobicContact CB-CE2 3.67Å; F1457-F1459 HydrophobicContact CB-CZ 3.49Å; F1457-F1459 VanDerWaalsContact CB-CZ 3.49Å; F1457-F1459 HydrophobicContact CD1-CZ 4.42Å; F1457-F1459 HydrophobicContact CG-CZ 4.1Å; F1459-K1461 PolarHBondContact O-N 2.96Å; F1459-L1464 HydrophobicContact CB-CD1 3.58Å; F1459-L1464 HydrophobicContact CG-CD1 4.07Å; F1459-F1468 HydrophobicContact CD2-CE1 4.48Å; F1459-F1468 HydrophobicContact CE1-CZ 4.33Å; F1459-F1468 HydrophobicContact CE2-CE1 4.43Å; F1459-F1468 HydrophobicContact CZ-CZ 4.22Å; F1459-I1472 HydrophobicContact CE2-CD1 4.4Å; F1459-I1472 HydrophobicContact CE2-CG1 4.26Å; F1459-E1484 PolarHBondContact N-O 2.86Å; F1459-F1485 HydrophobicContact CB-CD1 3.94Å; F1459-F1485 HydrophobicContact CB-CE1 4.14Å; F1459-F1485 HydrophobicContact CD2-CE1 4.21Å; F1459-F1485 WeakPolarHBondContact O-CA 3.21Å; F1459-V1486 WeakPolarHBondContact O-CG2 3.35Å; F1459-V1486 PolarHBondContact O-N 3.19Å |
| 1460 | L | 92.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 102.7 | 172.1 | -168.4 | 62.1 | 0 | 0 | 0 | 110.3 | F1428 V1430 N1462 Y1463 V1486 Y1507 L1515 | F1428-L1460 HydrophobicContact CE2-CB 4.27Å; F1428-L1460 HydrophobicContact CZ-CB 4.47Å; V1430-L1460 HydrophobicContact CB-CB 4.43Å; V1430-L1460 HydrophobicContact CG2-CB 4.01Å; V1430-L1460 HydrophobicContact CG2-CD2 4.25Å; L1460-N1462 VanDerWaalsContact C-N 3.32Å; L1460-N1462 PolarHBondContact O-N 3.49Å; L1460-Y1463 HydrophobicContact CB-CD2 4.49Å; L1460-Y1463 HydrophobicContact CD2-CD2 3.45Å; L1460-Y1463 VanDerWaalsContact CD2-CD2 3.45Å; L1460-Y1463 HydrophobicContact CD2-CE2 3.46Å; L1460-Y1463 VanDerWaalsContact CD2-CE2 3.46Å; L1460-Y1463 HydrophobicContact CG-CD2 3.75Å; L1460-Y1463 HydrophobicContact CG-CE2 4Å; L1460-V1486 WeakPolarHBondContact CA-O 3.26Å; L1460-Y1507 HydrophobicContact CD1-CD1 4.27Å; L1460-Y1507 HydrophobicContact CD1-CG 4.5Å; L1460-Y1507 HydrophobicContact CD2-CD1 4.29Å; L1460-Y1507 HydrophobicContact CD2-CD2 4.05Å; L1460-Y1507 HydrophobicContact CD2-CG 3.71Å; L1460-L1515 HydrophobicContact CD1-CD1 4.05Å; L1460-L1515 HydrophobicContact CD1-CD2 4.48Å |
| 1461 | K | 92.1 | Very high | 93.2 | Very high | 39 Ų | 39 | 29.6 Ų | 29.6 | 17% | 0.17 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -58.6 | -36 | -165.5 | -160.4 | 174.9 | 172.7 | -170.5 | 0 | 115.1 | E1258 F1459 Y1463 L1464 K1469 F1485 V1486 Q1487 | E1258-K1461 WeakPolarHBondContact OE1-CE 3.08Å; E1258-K1461 IonicContact OE1-NZ 3.06Å; E1258-K1461 PolarHBondContact OE1-NZ 2.78Å; E1258-K1461 IonicContact OE2-NZ 3.05Å; E1258-K1461 PolarHBondContact OE2-NZ 3.11Å; F1459-K1461 PolarHBondContact O-N 2.96Å; K1461-Y1463 VanDerWaalsContact C-N 3.28Å; K1461-Y1463 PolarHBondContact O-N 2.85Å; K1461-L1464 PolarHBondContact O-N 3.19Å; K1461-K1469 HydrophobicContact CG-CD 4.13Å; K1461-F1485 HydrophobicContact CB-CB 3.98Å; K1461-F1485 HydrophobicContact CB-CD1 4.19Å; K1461-F1485 HydrophobicContact CB-CG 4.32Å; K1461-F1485 HydrophobicContact CD-CB 3.81Å; K1461-F1485 HydrophobicContact CD-CD2 4.48Å; K1461-F1485 HydrophobicContact CD-CG 4.09Å; K1461-F1485 HydrophobicContact CG-CB 3.95Å; K1461-F1485 HydrophobicContact CG-CD1 3.99Å; K1461-F1485 HydrophobicContact CG-CG 3.95Å; K1461-V1486 PolarHBondContact N-O 2.88Å; K1461-V1486 VanDerWaalsContact N-O 3.08Å; K1461-Q1487 HydrophobicContact CB-CG 3.55Å; K1461-Q1487 HydrophobicContact CD-CG 4.4Å |
| 1462 | N | 87.4 | Confident | 93.3 | Very high | 48 Ų | 48 | 29.1 Ų | 29.1 | 26% | 0.257 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -70.5 | -20.7 | -167.6 | -67 | -1.8 | 0 | 0 | 0 | 114.1 | L1460 Q1487 | L1460-N1462 VanDerWaalsContact C-N 3.32Å; L1460-N1462 PolarHBondContact O-N 3.49Å; N1462-Q1487 PolarHBondContact OD1-NE2 2.82Å |
| 1463 | Y | 88.6 | Confident | 93.6 | Very high | 27 Ų | 27 | 23.2 Ų | 23.2 | 11% | 0.106 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -103.9 | -6.2 | -176 | -58.1 | -79 | 0 | 0 | 0 | 113.1 | A1431 L1460 K1461 K1500 I1503 I1504 Y1507 | A1431-Y1463 CarbonylContact O-C 3.29Å; A1431-Y1463 VanDerWaalsContact O-O 3.12Å; L1460-Y1463 HydrophobicContact CB-CD2 4.49Å; L1460-Y1463 HydrophobicContact CD2-CD2 3.45Å; L1460-Y1463 VanDerWaalsContact CD2-CD2 3.45Å; L1460-Y1463 HydrophobicContact CD2-CE2 3.46Å; L1460-Y1463 VanDerWaalsContact CD2-CE2 3.46Å; L1460-Y1463 HydrophobicContact CG-CD2 3.75Å; L1460-Y1463 HydrophobicContact CG-CE2 4Å; K1461-Y1463 VanDerWaalsContact C-N 3.28Å; K1461-Y1463 PolarHBondContact O-N 2.85Å; Y1463-K1500 HydrophobicContact CD1-CG 4.23Å; Y1463-K1500 HydrophobicContact CE1-CG 4Å; Y1463-I1503 WeakPolarHBondContact OH-CG2 3.46Å; Y1463-I1504 HydrophobicContact CD1-CD1 3.78Å; Y1463-I1504 HydrophobicContact CD1-CG1 3.65Å; Y1463-I1504 HydrophobicContact CD2-CG1 4.19Å; Y1463-I1504 HydrophobicContact CE1-CD1 4.26Å; Y1463-I1504 HydrophobicContact CE1-CG1 3.73Å; Y1463-I1504 HydrophobicContact CE2-CG1 4.26Å; Y1463-I1504 HydrophobicContact CG-CD1 4.12Å; Y1463-I1504 HydrophobicContact CG-CG1 3.9Å; Y1463-Y1507 HydrophobicContact CE2-CD2 4.09Å; Y1463-Y1507 HydrophobicContact CE2-CE2 4.27Å; Y1463-Y1507 WeakPolarHBondContact OH-CE2 3.34Å |
| 1464 | L | 92 | Very high | 93.8 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -87.2 | 138.4 | 176.2 | -65.1 | 176.7 | 0 | 0 | 0 | 111.3 | A1431 E1437 L1440 F1459 K1461 F1468 K1469 F1485 | A1431-L1464 HydrophobicContact CB-CD2 4.02Å; E1437-L1464 HydrophobicContact CG-CD2 4.34Å; L1440-L1464 HydrophobicContact CD2-CD2 4.32Å; F1459-L1464 HydrophobicContact CB-CD1 3.58Å; F1459-L1464 HydrophobicContact CG-CD1 4.07Å; K1461-L1464 PolarHBondContact O-N 3.19Å; L1464-F1468 HydrophobicContact CB-CD1 4.36Å; L1464-F1468 HydrophobicContact CD1-CD1 3.74Å; L1464-F1468 HydrophobicContact CD1-CE1 3.75Å; L1464-F1468 HydrophobicContact CD2-CD1 4.05Å; L1464-F1468 HydrophobicContact CD2-CE1 4.24Å; L1464-F1468 HydrophobicContact CD2-CG 4.42Å; L1464-F1468 HydrophobicContact CG-CD1 4.28Å; L1464-K1469 HydrophobicContact CB-CD 4.43Å; L1464-K1469 HydrophobicContact CB-CG 4.23Å; L1464-K1469 WeakPolarHBondContact O-CE 3.33Å; L1464-K1469 PolarHBondContact O-NZ 3.36Å; L1464-F1485 HydrophobicContact CD1-CD1 4.31Å; L1464-F1485 HydrophobicContact CD1-CE1 3.77Å |
| 1465 | S | 93.8 | Very high | 93.8 | Very high | 16 Ų | 16 | 24.6 Ų | 24.6 | 11% | 0.112 | 12% | 0.122 | C | C | . | . | trans | -63.5 | 149.4 | 174.2 | 77.8 | 0 | 0 | 0 | 0 | 111 | E1437 T1467 F1468 K1469 | E1437-S1465 WeakPolarHBondContact OE1-CA 3.47Å; E1437-S1465 WeakPolarHBondContact OE1-CB 3.35Å; E1437-S1465 PolarHBondContact OE1-N 3.28Å; E1437-S1465 PolarHBondContact OE1-OG 3.36Å; E1437-S1465 WeakPolarHBondContact OE2-CB 3.46Å; E1437-S1465 PolarHBondContact OE2-OG 3.42Å; S1465-T1467 PolarHBondContact O-N 3.48Å; S1465-T1467 PolarHBondContact OG-N 3.2Å; S1465-F1468 PolarHBondContact O-N 3.09Å; S1465-F1468 PolarHBondContact OG-N 3.03Å; S1465-F1468 VanDerWaalsContact OG-N 3.07Å; S1465-K1469 WeakPolarHBondContact O-CE 3.35Å; S1465-K1469 PolarHBondContact O-N 2.73Å | ||
| 1466 | P | 92.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -51.6 | -42.6 | 168.9 | -29.9 | 39.5 | 0 | 0 | 0 | 112.2 | A1229 A1232 F1468 K1469 D1470 | A1229-P1466 HydrophobicContact CB-CG 3.9Å; A1232-P1466 HydrophobicContact CB-CG 4Å; P1466-F1468 VanDerWaalsContact C-N 3.3Å; P1466-F1468 PolarHBondContact O-N 2.69Å; P1466-K1469 PolarHBondContact O-N 2.84Å; P1466-D1470 PolarHBondContact O-N 3.01Å |
| 1467 | T | 91.2 | Very high | 93.7 | Very high | 35 Ų | 35 | 29 Ų | 29 | 22% | 0.215 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.8 | -38.8 | -179.6 | -29.7 | 0 | 0 | 0 | 0 | 113 | S1465 F1471 W1693 | S1465-T1467 PolarHBondContact O-N 3.48Å; S1465-T1467 PolarHBondContact OG-N 3.2Å; T1467-F1471 WeakPolarHBondContact O-CB 3.29Å; T1467-F1471 PolarHBondContact O-N 2.78Å; T1467-W1693 HydrophobicContact CG2-CH2 3.56Å; T1467-W1693 HydrophobicContact CG2-CZ2 4Å |
| 1468 | F | 93.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.3 | -44.1 | 174.6 | -179.6 | -85.6 | 0 | 0 | 0 | 111.6 | E1437 L1440 R1441 M1444 F1459 L1464 S1465 P1466 D1470 F1471 I1472 | E1437-F1468 HydrophobicContact CB-CD2 3.92Å; E1437-F1468 HydrophobicContact CG-CB 4.25Å; E1437-F1468 HydrophobicContact CG-CD2 4.13Å; E1437-F1468 HydrophobicContact CG-CG 4.35Å; L1440-F1468 HydrophobicContact CD2-CE1 4.38Å; L1440-F1468 HydrophobicContact CD2-CE2 3.77Å; L1440-F1468 HydrophobicContact CD2-CZ 3.58Å; L1440-F1468 HydrophobicContact CG-CE2 4.23Å; L1440-F1468 HydrophobicContact CG-CZ 4.25Å; R1441-F1468 HydrophobicContact CG-CD2 4.23Å; R1441-F1468 HydrophobicContact CG-CE2 3.78Å; M1444-F1468 HydrophobicContact SD-CZ 4.34Å; F1459-F1468 HydrophobicContact CD2-CE1 4.48Å; F1459-F1468 HydrophobicContact CE1-CZ 4.33Å; F1459-F1468 HydrophobicContact CE2-CE1 4.43Å; F1459-F1468 HydrophobicContact CZ-CZ 4.22Å; L1464-F1468 HydrophobicContact CB-CD1 4.36Å; L1464-F1468 HydrophobicContact CD1-CD1 3.74Å; L1464-F1468 HydrophobicContact CD1-CE1 3.75Å; L1464-F1468 HydrophobicContact CD2-CD1 4.05Å; L1464-F1468 HydrophobicContact CD2-CE1 4.24Å; L1464-F1468 HydrophobicContact CD2-CG 4.42Å; L1464-F1468 HydrophobicContact CG-CD1 4.28Å; S1465-F1468 PolarHBondContact O-N 3.09Å; S1465-F1468 PolarHBondContact OG-N 3.03Å; S1465-F1468 VanDerWaalsContact OG-N 3.07Å; P1466-F1468 VanDerWaalsContact C-N 3.3Å; P1466-F1468 PolarHBondContact O-N 2.69Å; F1468-D1470 VanDerWaalsContact C-N 3.3Å; F1468-D1470 PolarHBondContact O-N 2.91Å; F1468-F1471 PolarHBondContact O-N 2.85Å; F1468-I1472 HydrophobicContact CE1-CB 4.42Å; F1468-I1472 HydrophobicContact CE1-CD1 3.99Å; F1468-I1472 HydrophobicContact CE1-CG1 4.3Å; F1468-I1472 HydrophobicContact CE2-CD1 4.35Å; F1468-I1472 HydrophobicContact CZ-CD1 3.68Å; F1468-I1472 HydrophobicContact CZ-CG1 4.47Å; F1468-I1472 PolarHBondContact O-N 3.35Å |
| 1469 | K | 93.3 | Very high | 93.4 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 11% | 0.109 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.8 | -34.6 | -179.5 | -68.6 | -178.6 | -70 | -158.4 | 0 | 112.5 | A1229 K1461 L1464 S1465 P1466 P1473 F1485 | A1229-K1469 WeakPolarHBondContact O-CE 3.28Å; A1229-K1469 PolarHBondContact O-NZ 2.8Å; K1461-K1469 HydrophobicContact CG-CD 4.13Å; L1464-K1469 HydrophobicContact CB-CD 4.43Å; L1464-K1469 HydrophobicContact CB-CG 4.23Å; L1464-K1469 WeakPolarHBondContact O-CE 3.33Å; L1464-K1469 PolarHBondContact O-NZ 3.36Å; S1465-K1469 WeakPolarHBondContact O-CE 3.35Å; S1465-K1469 PolarHBondContact O-N 2.73Å; P1466-K1469 PolarHBondContact O-N 2.84Å; K1469-P1473 WeakPolarHBondContact O-CD 3.43Å; K1469-F1485 HydrophobicContact CB-CZ 4.22Å; K1469-F1485 HydrophobicContact CD-CE1 4.46Å; K1469-F1485 HydrophobicContact CD-CZ 4.4Å; K1469-F1485 HydrophobicContact CG-CE1 3.99Å; K1469-F1485 HydrophobicContact CG-CZ 3.75Å |
| 1470 | D | 91.9 | Very high | 93.3 | Very high | 95 Ų | 95 | 37.7 Ų | 37.7 | 51% | 0.508 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -73.9 | -29.8 | 175.8 | -69 | -14 | 0 | 0 | 0 | 112.6 | P1466 F1468 P1473 Y1474 | P1466-D1470 PolarHBondContact O-N 3.01Å; F1468-D1470 VanDerWaalsContact C-N 3.3Å; F1468-D1470 PolarHBondContact O-N 2.91Å; D1470-P1473 WeakPolarHBondContact O-CD 3.43Å; D1470-Y1474 WeakPolarHBondContact O-CD2 3.06Å; D1470-Y1474 VanDerWaalsContact O-CE2 3.29Å; D1470-Y1474 WeakPolarHBondContact O-CE2 3.42Å |
| 1471 | F | 94.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -86.8 | -30.5 | -176.5 | -173.3 | -115.8 | 0 | 0 | 0 | 113.8 | T1467 F1468 Y1474 M1475 I1689 L1692 W1693 V1696 Y1697 | T1467-F1471 WeakPolarHBondContact O-CB 3.29Å; T1467-F1471 PolarHBondContact O-N 2.78Å; F1468-F1471 PolarHBondContact O-N 2.85Å; F1471-Y1474 PolarHBondContact O-N 3.31Å; F1471-M1475 HydrophobicContact CD1-CG 3.85Å; F1471-M1475 HydrophobicContact CD1-SD 3.8Å; F1471-M1475 HydrophobicContact CE1-CG 3.45Å; F1471-M1475 VanDerWaalsContact CE1-CG 3.45Å; F1471-M1475 HydrophobicContact CE1-SD 3.47Å; F1471-M1475 WeakPolarHBondContact CE1-SD 3.44Å; F1471-M1475 HydrophobicContact CZ-CG 4.01Å; F1471-M1475 HydrophobicContact CZ-SD 4.49Å; F1471-M1475 PolarHBondContact O-N 2.95Å; F1471-I1689 HydrophobicContact CE1-CG2 4.17Å; F1471-L1692 HydrophobicContact CE2-CD2 4.47Å; F1471-L1692 HydrophobicContact CE2-CG 4.21Å; F1471-L1692 HydrophobicContact CZ-CB 4.34Å; F1471-L1692 HydrophobicContact CZ-CD2 3.9Å; F1471-L1692 HydrophobicContact CZ-CG 3.93Å; F1471-W1693 HydrophobicContact CB-CE3 4.39Å; F1471-W1693 HydrophobicContact CB-CZ3 3.72Å; F1471-W1693 AromaticContact CD1-CE3 3.72Å; F1471-W1693 HydrophobicContact CD1-CE3 3.72Å; F1471-W1693 AromaticContact CD1-CZ3 3.68Å; F1471-W1693 HydrophobicContact CD1-CZ3 3.68Å; F1471-W1693 HydrophobicContact CD2-CD2 4.49Å; F1471-W1693 AromaticContact CD2-CE3 3.56Å; F1471-W1693 HydrophobicContact CD2-CE3 3.56Å; F1471-W1693 AromaticContact CD2-CZ3 3.76Å; F1471-W1693 HydrophobicContact CD2-CZ3 3.76Å; F1471-W1693 AromaticContact CE1-CE3 3.75Å; F1471-W1693 HydrophobicContact CE1-CE3 3.75Å; F1471-W1693 HydrophobicContact CE1-CZ3 4.19Å; F1471-W1693 HydrophobicContact CE2-CB 4.35Å; F1471-W1693 HydrophobicContact CE2-CD2 4.36Å; F1471-W1693 AromaticContact CE2-CE3 3.62Å; F1471-W1693 HydrophobicContact CE2-CE3 3.62Å; F1471-W1693 HydrophobicContact CE2-CZ3 4.29Å; F1471-W1693 AromaticContact CG-CE3 3.61Å; F1471-W1693 HydrophobicContact CG-CE3 3.61Å; F1471-W1693 AromaticContact CG-CZ3 3.42Å; F1471-W1693 HydrophobicContact CG-CZ3 3.42Å; F1471-W1693 VanDerWaalsContact CG-CZ3 3.42Å; F1471-W1693 HydrophobicContact CZ-CB 4.26Å; F1471-W1693 AromaticContact CZ-CE3 3.7Å; F1471-W1693 HydrophobicContact CZ-CE3 3.7Å; F1471-W1693 HydrophobicContact CZ-CZ3 4.48Å; F1471-V1696 HydrophobicContact CE2-CG2 4.25Å; F1471-Y1697 AromaticContact CD2-CE2 3.86Å; F1471-Y1697 HydrophobicContact CD2-CE2 3.86Å; F1471-Y1697 HydrophobicContact CE2-CE2 4.49Å |
| 1472 | I | 95.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.1 | -35.9 | -176.1 | -152.6 | 66.2 | 0 | 0 | 0 | 115.2 | M1444 F1459 F1468 Y1474 M1475 A1476 F1481 Y1483 F1485 | M1444-I1472 HydrophobicContact CE-CD1 3.56Å; M1444-I1472 HydrophobicContact SD-CD1 3.88Å; F1459-I1472 HydrophobicContact CE2-CD1 4.4Å; F1459-I1472 HydrophobicContact CE2-CG1 4.26Å; F1468-I1472 HydrophobicContact CE1-CB 4.42Å; F1468-I1472 HydrophobicContact CE1-CD1 3.99Å; F1468-I1472 HydrophobicContact CE1-CG1 4.3Å; F1468-I1472 HydrophobicContact CE2-CD1 4.35Å; F1468-I1472 HydrophobicContact CZ-CD1 3.68Å; F1468-I1472 HydrophobicContact CZ-CG1 4.47Å; F1468-I1472 PolarHBondContact O-N 3.35Å; I1472-Y1474 VanDerWaalsContact C-N 3.3Å; I1472-Y1474 PolarHBondContact O-N 2.9Å; I1472-M1475 PolarHBondContact O-N 2.67Å; I1472-A1476 WeakPolarHBondContact O-CB 3.47Å; I1472-A1476 PolarHBondContact O-N 2.93Å; I1472-F1481 HydrophobicContact CD1-CE2 4.47Å; I1472-F1481 HydrophobicContact CD1-CZ 4.25Å; I1472-F1481 HydrophobicContact CG1-CE2 4.45Å; I1472-Y1483 HydrophobicContact CG1-CG 4.39Å; I1472-Y1483 HydrophobicContact CG2-CD2 3.9Å; I1472-Y1483 HydrophobicContact CG2-CE1 4.25Å; I1472-Y1483 HydrophobicContact CG2-CE2 3.57Å; I1472-Y1483 HydrophobicContact CG2-CG 4.38Å; I1472-F1485 HydrophobicContact CG2-CZ 4.07Å |
| 1473 | P | 95.9 | Very high | 94.1 | Very high | 45 Ų | 45 | 43.4 Ų | 43.4 | 29% | 0.292 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65 | -34.1 | 179.5 | -16.7 | 30.9 | 0 | 0 | 0 | 112.4 | K1469 D1470 A1476 T1477 Y1483 | K1469-P1473 WeakPolarHBondContact O-CD 3.43Å; D1470-P1473 WeakPolarHBondContact O-CD 3.43Å; P1473-A1476 PolarHBondContact O-N 2.78Å; P1473-T1477 PolarHBondContact O-N 3.35Å; P1473-T1477 VanDerWaalsContact O-N 3.07Å; P1473-T1477 PolarHBondContact O-OG1 2.88Å; P1473-Y1483 WeakPolarHBondContact CG-OH 3.05Å |
| 1474 | Y | 95.4 | Very high | 94.4 | Very high | 122 Ų | 122 | 45.6 Ų | 45.6 | 48% | 0.478 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.4 | -39.1 | 175.7 | -58.9 | -78.1 | 0 | 0 | 0 | 111.4 | D1470 F1471 I1472 T1477 E1478 V1696 | D1470-Y1474 WeakPolarHBondContact O-CD2 3.06Å; D1470-Y1474 VanDerWaalsContact O-CE2 3.29Å; D1470-Y1474 WeakPolarHBondContact O-CE2 3.42Å; F1471-Y1474 PolarHBondContact O-N 3.31Å; I1472-Y1474 VanDerWaalsContact C-N 3.3Å; I1472-Y1474 PolarHBondContact O-N 2.9Å; Y1474-T1477 PolarHBondContact O-N 2.93Å; Y1474-E1478 WeakPolarHBondContact O-CB 3.44Å; Y1474-E1478 PolarHBondContact O-N 3.41Å; Y1474-V1696 HydrophobicContact CD1-CG1 4.43Å; Y1474-V1696 HydrophobicContact CD1-CG2 4.13Å; Y1474-V1696 HydrophobicContact CD2-CG1 4.05Å; Y1474-V1696 HydrophobicContact CD2-CG2 4.49Å; Y1474-V1696 HydrophobicContact CE1-CG1 4.32Å; Y1474-V1696 HydrophobicContact CE2-CG1 3.93Å; Y1474-V1696 HydrophobicContact CG-CG1 4.3Å; Y1474-V1696 HydrophobicContact CG-CG2 4.01Å |
| 1475 | M | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 172.9 | -72.6 | -167.6 | 68.6 | 0 | 0 | 111.7 | R1441 F1471 I1472 T1477 E1478 Y1479 F1481 I1689 L1692 | R1441-M1475 HydrophobicContact CB-CE 4.17Å; R1441-M1475 HydrophobicContact CB-SD 4.11Å; R1441-M1475 HydrophobicContact CG-CE 4.39Å; R1441-M1475 HydrophobicContact CG-SD 3.72Å; F1471-M1475 HydrophobicContact CD1-CG 3.85Å; F1471-M1475 HydrophobicContact CD1-SD 3.8Å; F1471-M1475 HydrophobicContact CE1-CG 3.45Å; F1471-M1475 VanDerWaalsContact CE1-CG 3.45Å; F1471-M1475 HydrophobicContact CE1-SD 3.47Å; F1471-M1475 WeakPolarHBondContact CE1-SD 3.44Å; F1471-M1475 HydrophobicContact CZ-CG 4.01Å; F1471-M1475 HydrophobicContact CZ-SD 4.49Å; F1471-M1475 PolarHBondContact O-N 2.95Å; I1472-M1475 PolarHBondContact O-N 2.67Å; M1475-T1477 VanDerWaalsContact C-N 3.26Å; M1475-T1477 PolarHBondContact O-N 2.95Å; M1475-E1478 PolarHBondContact O-N 3.29Å; M1475-Y1479 HydrophobicContact CB-CD2 4.12Å; M1475-Y1479 HydrophobicContact CB-CE2 4.35Å; M1475-Y1479 HydrophobicContact CE-CD2 4.07Å; M1475-Y1479 HydrophobicContact CE-CE2 3.79Å; M1475-Y1479 HydrophobicContact CG-CD2 4.49Å; M1475-Y1479 HydrophobicContact CG-CE2 4.23Å; M1475-Y1479 VanDerWaalsContact O-CD2 3.25Å; M1475-Y1479 WeakPolarHBondContact O-CD2 3.25Å; M1475-Y1479 PolarHBondContact O-N 2.94Å; M1475-F1481 HydrophobicContact CB-CE1 3.94Å; M1475-F1481 HydrophobicContact CB-CZ 3.75Å; M1475-F1481 VanDerWaalsContact O-CE1 3.24Å; M1475-F1481 WeakPolarHBondContact O-CE1 3.42Å; M1475-I1689 HydrophobicContact CE-CD1 4.49Å; M1475-I1689 HydrophobicContact CE-CG1 4.31Å; M1475-L1692 HydrophobicContact CG-CD2 3.96Å |
| 1476 | A | 95.8 | Very high | 94.6 | Very high | 14 Ų | 14 | 47.2 Ų | 47.2 | 12% | 0.116 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.5 | -42.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1472 P1473 G1480 F1481 Y1483 | I1472-A1476 WeakPolarHBondContact O-CB 3.47Å; I1472-A1476 PolarHBondContact O-N 2.93Å; P1473-A1476 PolarHBondContact O-N 2.78Å; A1476-G1480 WeakPolarHBondContact O-CA 3.47Å; A1476-G1480 PolarHBondContact O-N 2.89Å; A1476-F1481 VanDerWaalsContact CA-CE1 3.49Å; A1476-F1481 VanDerWaalsContact CA-CZ 3.46Å; A1476-F1481 HydrophobicContact CB-CD2 4.16Å; A1476-F1481 HydrophobicContact CB-CE1 4.42Å; A1476-F1481 HydrophobicContact CB-CE2 3.81Å; A1476-F1481 HydrophobicContact CB-CZ 3.96Å; A1476-F1481 WeakPolarHBondContact CB-O 3.34Å; A1476-F1481 VanDerWaalsContact N-CZ 3.32Å; A1476-F1481 PolarHBondContact O-N 3.49Å; A1476-Y1483 HydrophobicContact CB-CD1 3.8Å; A1476-Y1483 HydrophobicContact CB-CE1 3.97Å |
| 1477 | T | 94.6 | Very high | 94.6 | Very high | 124 Ų | 124 | 47.3 Ų | 47.3 | 76% | 0.761 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -70.5 | -43.2 | 177.9 | -50.6 | 0 | 0 | 0 | 0 | 112.7 | P1473 Y1474 M1475 | P1473-T1477 PolarHBondContact O-N 3.35Å; P1473-T1477 VanDerWaalsContact O-N 3.07Å; P1473-T1477 PolarHBondContact O-OG1 2.88Å; Y1474-T1477 PolarHBondContact O-N 2.93Å; M1475-T1477 VanDerWaalsContact C-N 3.26Å; M1475-T1477 PolarHBondContact O-N 2.95Å |
| 1478 | E | 94.3 | Very high | 94.7 | Very high | 93 Ų | 93 | 46 Ų | 46 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.2 | -38.2 | -178.3 | -172 | 83.9 | 165.6 | 0 | 0 | 112.2 | Y1474 M1475 L1692 R1695 | Y1474-E1478 WeakPolarHBondContact O-CB 3.44Å; Y1474-E1478 PolarHBondContact O-N 3.41Å; M1475-E1478 PolarHBondContact O-N 3.29Å; E1478-L1692 HydrophobicContact CB-CD1 4.42Å; E1478-L1692 HydrophobicContact CB-CD2 4.18Å; E1478-L1692 HydrophobicContact CG-CD1 4.23Å; E1478-L1692 HydrophobicContact CG-CD2 4.32Å; E1478-R1695 IonicContact OE1-CZ 2.77Å; E1478-R1695 IonicContact OE1-NH1 3.79Å; E1478-R1695 PolarHBondContact OE1-NH1 3.22Å; E1478-R1695 IonicContact OE1-NH2 3.38Å; E1478-R1695 IonicContact OE2-NH1 2.79Å; E1478-R1695 PolarHBondContact OE2-NH1 3.38Å |
| 1479 | Y | 95.2 | Very high | 94.7 | Very high | 28 Ų | 28 | 47.1 Ų | 47.1 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -106.5 | -4.8 | -172.4 | -56.7 | -65.4 | 0 | 0 | 0 | 114.6 | L1445 M1475 F1481 E1688 L1692 | L1445-Y1479 HydrophobicContact CD1-CD1 3.68Å; L1445-Y1479 HydrophobicContact CD1-CD2 4.45Å; L1445-Y1479 HydrophobicContact CD1-CE1 3.53Å; L1445-Y1479 HydrophobicContact CD1-CE2 4.34Å; L1445-Y1479 HydrophobicContact CD1-CG 4.15Å; M1475-Y1479 HydrophobicContact CB-CD2 4.12Å; M1475-Y1479 HydrophobicContact CB-CE2 4.35Å; M1475-Y1479 HydrophobicContact CE-CD2 4.07Å; M1475-Y1479 HydrophobicContact CE-CE2 3.79Å; M1475-Y1479 HydrophobicContact CG-CD2 4.49Å; M1475-Y1479 HydrophobicContact CG-CE2 4.23Å; M1475-Y1479 VanDerWaalsContact O-CD2 3.25Å; M1475-Y1479 WeakPolarHBondContact O-CD2 3.25Å; M1475-Y1479 PolarHBondContact O-N 2.94Å; Y1479-F1481 HydrophobicContact CD2-CE1 4.32Å; Y1479-E1688 WeakPolarHBondContact CE1-OE1 3.34Å; Y1479-L1692 HydrophobicContact CE2-CD2 3.87Å |
| 1480 | G | 93.6 | Very high | 94.7 | Very high | 66 Ų | 66 | 46.8 Ų | 46.8 | 68% | 0.68 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 48.5 | 172 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1476 | A1476-G1480 WeakPolarHBondContact O-CA 3.47Å; A1476-G1480 PolarHBondContact O-N 2.89Å |
| 1481 | F | 95.6 | Very high | 94.6 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 6% | 0.057 | 22% | 0.22 | C | C | . | . | trans | -125.5 | 158.2 | 174.7 | 65.8 | -93.8 | 0 | 0 | 0 | 112 | M1444 I1448 F1457 I1472 M1475 A1476 Y1479 | M1444-F1481 HydrophobicContact CE-CD2 4.25Å; M1444-F1481 HydrophobicContact CE-CE1 4.09Å; M1444-F1481 HydrophobicContact CE-CE2 3.43Å; M1444-F1481 VanDerWaalsContact CE-CE2 3.43Å; M1444-F1481 HydrophobicContact CE-CZ 3.32Å; I1448-F1481 HydrophobicContact CD1-CB 4.28Å; I1448-F1481 HydrophobicContact CD1-CD1 3.28Å; I1448-F1481 HydrophobicContact CD1-CE1 3.76Å; I1448-F1481 HydrophobicContact CD1-CG 3.98Å; I1448-F1481 HydrophobicContact CG1-CD1 4.35Å; F1457-F1481 HydrophobicContact CD2-CB 4.37Å; F1457-F1481 AromaticContact CD2-CD2 3.61Å; F1457-F1481 HydrophobicContact CD2-CD2 3.61Å; F1457-F1481 HydrophobicContact CD2-CE2 4.09Å; F1457-F1481 HydrophobicContact CD2-CG 4.06Å; F1457-F1481 HydrophobicContact CE2-CB 4.3Å; F1457-F1481 HydrophobicContact CE2-CD2 4.12Å; F1457-F1481 HydrophobicContact CE2-CG 4.12Å; I1472-F1481 HydrophobicContact CD1-CE2 4.47Å; I1472-F1481 HydrophobicContact CD1-CZ 4.25Å; I1472-F1481 HydrophobicContact CG1-CE2 4.45Å; M1475-F1481 HydrophobicContact CB-CE1 3.94Å; M1475-F1481 HydrophobicContact CB-CZ 3.75Å; M1475-F1481 VanDerWaalsContact O-CE1 3.24Å; M1475-F1481 WeakPolarHBondContact O-CE1 3.42Å; A1476-F1481 VanDerWaalsContact CA-CE1 3.49Å; A1476-F1481 VanDerWaalsContact CA-CZ 3.46Å; A1476-F1481 HydrophobicContact CB-CD2 4.16Å; A1476-F1481 HydrophobicContact CB-CE1 4.42Å; A1476-F1481 HydrophobicContact CB-CE2 3.81Å; A1476-F1481 HydrophobicContact CB-CZ 3.96Å; A1476-F1481 WeakPolarHBondContact CB-O 3.34Å; A1476-F1481 VanDerWaalsContact N-CZ 3.32Å; A1476-F1481 PolarHBondContact O-N 3.49Å; Y1479-F1481 HydrophobicContact CD2-CE1 4.32Å | ||
| 1482 | E | 96.4 | Very high | 94 | Very high | 117 Ų | 117 | 46.1 Ų | 46.1 | 55% | 0.547 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 153.9 | 172.5 | -67.3 | -178 | -171.8 | 0 | 0 | 111.1 | V1455 K1456 F1457 | V1455-E1482 PolarHBondContact O-N 3.09Å; K1456-E1482 CarbonylContact C-O 3.58Å; K1456-E1482 VanDerWaalsContact CA-O 3.29Å; K1456-E1482 WeakPolarHBondContact CA-O 3.42Å; K1456-E1482 HydrophobicContact CB-CB 4.12Å; K1456-E1482 HydrophobicContact CD-CB 4.27Å; K1456-E1482 HydrophobicContact CG-CB 3.92Å; F1457-E1482 PolarHBondContact N-O 3Å |
| 1483 | Y | 96.6 | Very high | 93.5 | Very high | 79 Ų | 79 | 48.1 Ų | 48.1 | 31% | 0.31 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 154.9 | 173.7 | 73.3 | -81.6 | 0 | 0 | 0 | 112.1 | F1457 I1472 P1473 A1476 F1485 | F1457-Y1483 CarbonylContact O-C 3.51Å; F1457-Y1483 WeakPolarHBondContact O-CA 3.45Å; I1472-Y1483 HydrophobicContact CG1-CG 4.39Å; I1472-Y1483 HydrophobicContact CG2-CD2 3.9Å; I1472-Y1483 HydrophobicContact CG2-CE1 4.25Å; I1472-Y1483 HydrophobicContact CG2-CE2 3.57Å; I1472-Y1483 HydrophobicContact CG2-CG 4.38Å; P1473-Y1483 WeakPolarHBondContact CG-OH 3.05Å; A1476-Y1483 HydrophobicContact CB-CD1 3.8Å; A1476-Y1483 HydrophobicContact CB-CE1 3.97Å; Y1483-F1485 HydrophobicContact CD2-CE2 4.13Å; Y1483-F1485 HydrophobicContact CD2-CZ 4.3Å; Y1483-F1485 HydrophobicContact CE2-CD2 4.28Å; Y1483-F1485 AromaticContact CE2-CE2 3.67Å; Y1483-F1485 HydrophobicContact CE2-CE2 3.67Å; Y1483-F1485 HydrophobicContact CE2-CZ 4.12Å |
| 1484 | E | 95.9 | Very high | 93.1 | Very high | 73 Ų | 73 | 46.2 Ų | 46.2 | 34% | 0.341 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 145.1 | 174.2 | -163.7 | 169.7 | 158.1 | 0 | 0 | 111.5 | K1456 F1457 W1458 F1459 | K1456-E1484 VanDerWaalsContact CE-OE2 3.31Å; K1456-E1484 WeakPolarHBondContact CE-OE2 3.32Å; K1456-E1484 IonicContact NZ-OE2 2.73Å; K1456-E1484 PolarHBondContact NZ-OE2 3.4Å; F1457-E1484 PolarHBondContact O-N 3.42Å; W1458-E1484 WeakPolarHBondContact CA-O 3.5Å; W1458-E1484 HydrophobicContact CD2-CB 4.46Å; W1458-E1484 HydrophobicContact CE3-CB 3.82Å; W1458-E1484 HydrophobicContact CE3-CG 4.28Å; W1458-E1484 HydrophobicContact CH2-CB 4.45Å; W1458-E1484 WeakPolarHBondContact CH2-OE2 3.46Å; W1458-E1484 HydrophobicContact CZ3-CB 3.82Å; W1458-E1484 VanDerWaalsContact CZ3-CD 3.43Å; W1458-E1484 HydrophobicContact CZ3-CG 3.91Å; W1458-E1484 WeakPolarHBondContact CZ3-OE2 2.88Å; F1459-E1484 PolarHBondContact N-O 2.86Å |
| 1485 | F | 95.1 | Very high | 92.7 | Very high | 49 Ų | 49 | 44.1 Ų | 44.1 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 124 | 177 | -68.3 | -64.4 | 0 | 0 | 0 | 110.5 | F1459 K1461 L1464 K1469 I1472 Y1483 | F1459-F1485 HydrophobicContact CB-CD1 3.94Å; F1459-F1485 HydrophobicContact CB-CE1 4.14Å; F1459-F1485 HydrophobicContact CD2-CE1 4.21Å; F1459-F1485 WeakPolarHBondContact O-CA 3.21Å; K1461-F1485 HydrophobicContact CB-CB 3.98Å; K1461-F1485 HydrophobicContact CB-CD1 4.19Å; K1461-F1485 HydrophobicContact CB-CG 4.32Å; K1461-F1485 HydrophobicContact CD-CB 3.81Å; K1461-F1485 HydrophobicContact CD-CD2 4.48Å; K1461-F1485 HydrophobicContact CD-CG 4.09Å; K1461-F1485 HydrophobicContact CG-CB 3.95Å; K1461-F1485 HydrophobicContact CG-CD1 3.99Å; K1461-F1485 HydrophobicContact CG-CG 3.95Å; L1464-F1485 HydrophobicContact CD1-CD1 4.31Å; L1464-F1485 HydrophobicContact CD1-CE1 3.77Å; K1469-F1485 HydrophobicContact CB-CZ 4.22Å; K1469-F1485 HydrophobicContact CD-CE1 4.46Å; K1469-F1485 HydrophobicContact CD-CZ 4.4Å; K1469-F1485 HydrophobicContact CG-CE1 3.99Å; K1469-F1485 HydrophobicContact CG-CZ 3.75Å; I1472-F1485 HydrophobicContact CG2-CZ 4.07Å; Y1483-F1485 HydrophobicContact CD2-CE2 4.13Å; Y1483-F1485 HydrophobicContact CD2-CZ 4.3Å; Y1483-F1485 HydrophobicContact CE2-CD2 4.28Å; Y1483-F1485 AromaticContact CE2-CE2 3.67Å; Y1483-F1485 HydrophobicContact CE2-CE2 3.67Å; Y1483-F1485 HydrophobicContact CE2-CZ 4.12Å |
| 1486 | V | 94.3 | Very high | 92.2 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 148.5 | 173.7 | -70.1 | 0 | 0 | 0 | 0 | 110.7 | F1428 W1458 F1459 L1460 K1461 L1515 F1516 | F1428-V1486 HydrophobicContact CE2-CG2 4.24Å; W1458-V1486 HydrophobicContact CE3-CG1 3.63Å; W1458-V1486 HydrophobicContact CZ3-CG1 4.04Å; F1459-V1486 WeakPolarHBondContact O-CG2 3.35Å; F1459-V1486 PolarHBondContact O-N 3.19Å; L1460-V1486 WeakPolarHBondContact CA-O 3.26Å; K1461-V1486 PolarHBondContact N-O 2.88Å; K1461-V1486 VanDerWaalsContact N-O 3.08Å; V1486-L1515 HydrophobicContact CB-CD1 3.94Å; V1486-L1515 HydrophobicContact CB-CG 4Å; V1486-L1515 WeakPolarHBondContact CG1-O 3.32Å; V1486-L1515 HydrophobicContact CG2-CD1 4.03Å; V1486-L1515 HydrophobicContact CG2-CD2 4.08Å; V1486-L1515 HydrophobicContact CG2-CG 3.84Å; V1486-F1516 HydrophobicContact CG1-CD1 4.05Å; V1486-F1516 HydrophobicContact CG1-CE1 4.33Å; V1486-F1516 HydrophobicContact CG2-CE1 4.05Å |
| 1487 | Q | 92.5 | Very high | 91.7 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | trans | -149.9 | 145.9 | 178.6 | -69.8 | 165.4 | -49.3 | 0 | 0 | 107.9 | E1258 K1305 K1461 N1462 | E1258-Q1487 PolarHBondContact OE2-NE2 2.94Å; E1258-Q1487 PolarHBondContact OE2-OE1 3.39Å; K1305-Q1487 WeakPolarHBondContact CE-O 3.48Å; K1305-Q1487 PolarHBondContact NZ-O 3.17Å; K1461-Q1487 HydrophobicContact CB-CG 3.55Å; K1461-Q1487 HydrophobicContact CD-CG 4.4Å; N1462-Q1487 PolarHBondContact OD1-NE2 2.82Å | ||
| 1488 | Y | 93.6 | Very high | 91 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | trans | -150 | 142 | 171.8 | -164.3 | -105.2 | 0 | 0 | 0 | 106.5 | M1296 Q1303 P1491 Y1507 F1511 V1514 | M1296-Y1488 HydrophobicContact CE-CE1 4.17Å; M1296-Y1488 VanDerWaalsContact CE-OH 3.25Å; M1296-Y1488 WeakPolarHBondContact CE-OH 3.49Å; Q1303-Y1488 HydrophobicContact CG-CD2 4.26Å; Q1303-Y1488 HydrophobicContact CG-CE1 4.42Å; Q1303-Y1488 HydrophobicContact CG-CE2 3.48Å; Q1303-Y1488 VanDerWaalsContact CG-CE2 3.48Å; Q1303-Y1488 PolarHBondContact NE2-OH 3.04Å; Y1488-P1491 HydrophobicContact CE1-CG 4.39Å; Y1488-Y1507 WeakPolarHBondContact O-CE1 3.48Å; Y1488-Y1507 PolarHBondContact O-OH 3.06Å; Y1488-F1511 HydrophobicContact CD1-CB 4.25Å; Y1488-F1511 AromaticContact CD1-CD1 3.94Å; Y1488-F1511 HydrophobicContact CD1-CD1 3.94Å; Y1488-F1511 HydrophobicContact CD1-CE1 4.48Å; Y1488-F1511 HydrophobicContact CD1-CG 4Å; Y1488-F1511 AromaticContact CE1-CD1 3.91Å; Y1488-F1511 HydrophobicContact CE1-CD1 3.91Å; Y1488-F1511 HydrophobicContact CE1-CE1 4.36Å; Y1488-F1511 HydrophobicContact CE1-CG 4.41Å; Y1488-V1514 HydrophobicContact CD1-CG2 4.01Å; Y1488-V1514 HydrophobicContact CD2-CB 4.3Å; Y1488-V1514 HydrophobicContact CD2-CG2 4.14Å; Y1488-V1514 HydrophobicContact CE1-CB 4.42Å; Y1488-V1514 HydrophobicContact CE1-CG2 3.57Å; Y1488-V1514 HydrophobicContact CE2-CB 3.72Å; Y1488-V1514 HydrophobicContact CE2-CG2 3.74Å; Y1488-V1514 HydrophobicContact CG-CG2 4.27Å; Y1488-V1514 VanDerWaalsContact CZ-CG2 3.43Å | ||
| 1489 | K | 93.3 | Very high | 90.3 | Very high | 24 Ų | 24 | 47.2 Ų | 47.2 | 10% | 0.104 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -88 | 143.6 | 175 | -168.4 | 82.4 | 176.8 | -159.1 | 0 | 109.1 | E1221 H1223 W1225 M1226 L1261 Q1303 P1491 | E1221-K1489 IonicContact OE1-NZ 2.67Å; E1221-K1489 PolarHBondContact OE1-NZ 2.77Å; H1223-K1489 WeakPolarHBondContact O-CE 3.18Å; W1225-K1489 PolarHBondContact O-NZ 3.01Å; M1226-K1489 HydrophobicContact CG-CB 4.46Å; M1226-K1489 HydrophobicContact CG-CD 4.45Å; L1261-K1489 HydrophobicContact CD1-CB 3.5Å; L1261-K1489 VanDerWaalsContact CD1-CB 3.5Å; L1261-K1489 HydrophobicContact CD1-CD 4.33Å; L1261-K1489 HydrophobicContact CD1-CG 3.64Å; L1261-K1489 HydrophobicContact CD2-CB 4.39Å; Q1303-K1489 PolarHBondContact NE2-O 2.85Å; K1489-P1491 WeakPolarHBondContact O-CD 3.42Å |
| 1490 | W | 92.7 | Very high | 89.8 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 7% | 0.068 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -60 | 126.4 | 172.4 | -160.2 | -75.2 | 0 | 0 | 0 | 110.1 | H1223 L1494 H1495 Q1497 I1503 Y1507 L1510 F1511 Y1607 | H1223-W1490 PolarHBondContact CE1-O 3.41Å; H1223-W1490 PolarHBondContact NE2-O 2.82Å; W1490-L1494 HydrophobicContact CZ2-CD2 4.11Å; W1490-L1494 HydrophobicContact CZ2-CG 4.4Å; W1490-L1494 PolarHBondContact NE1-O 2.66Å; W1490-H1495 WeakPolarHBondContact CZ2-O 3.36Å; W1490-H1495 PolarHBondContact NE1-O 2.88Å; W1490-Q1497 HydrophobicContact CH2-CG 4.33Å; W1490-I1503 HydrophobicContact CE3-CG2 4.23Å; W1490-I1503 HydrophobicContact CZ3-CG2 4.22Å; W1490-Y1507 HydrophobicContact CE3-CE2 4.19Å; W1490-Y1507 PolarHBondContact N-OH 3.14Å; W1490-L1510 HydrophobicContact CH2-CD1 3.74Å; W1490-L1510 HydrophobicContact CZ2-CD1 3.97Å; W1490-F1511 HydrophobicContact CD2-CE2 4.13Å; W1490-F1511 AromaticContact CD2-CZ 3.89Å; W1490-F1511 HydrophobicContact CD2-CZ 3.89Å; W1490-F1511 AromaticContact CE3-CE2 3.72Å; W1490-F1511 HydrophobicContact CE3-CE2 3.72Å; W1490-F1511 AromaticContact CE3-CZ 3.96Å; W1490-F1511 HydrophobicContact CE3-CZ 3.96Å; W1490-F1511 HydrophobicContact CG-CZ 4.26Å; W1490-F1511 AromaticContact CZ3-CE2 4Å; W1490-F1511 HydrophobicContact CZ3-CE2 4Å; W1490-F1511 HydrophobicContact CZ3-CZ 4.39Å; W1490-Y1607 AromaticContact CZ2-CE1 3.8Å; W1490-Y1607 HydrophobicContact CZ2-CE1 3.8Å; W1490-Y1607 AromaticContact CZ2-CZ 3.77Å; W1490-Y1607 WeakPolarHBondContact CZ2-OH 3.48Å |
| 1491 | P | 91.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 144.4 | -178.1 | -24.7 | 35 | 0 | 0 | 0 | 113.7 | Y1301 Y1488 K1489 W1493 L1494 F1511 | Y1301-P1491 HydrophobicContact CD1-CB 4.14Å; Y1301-P1491 HydrophobicContact CD1-CG 4.33Å; Y1301-P1491 HydrophobicContact CE1-CB 3.67Å; Y1301-P1491 HydrophobicContact CE1-CG 3.86Å; Y1488-P1491 HydrophobicContact CE1-CG 4.39Å; K1489-P1491 WeakPolarHBondContact O-CD 3.42Å; P1491-W1493 VanDerWaalsContact C-N 3.3Å; P1491-W1493 HydrophobicContact CB-CD2 4.46Å; P1491-W1493 HydrophobicContact CB-CG 4.45Å; P1491-W1493 HydrophobicContact CB-CZ2 4.35Å; P1491-W1493 PolarHBondContact O-N 2.97Å; P1491-L1494 HydrophobicContact CB-CB 4.28Å; P1491-L1494 PolarHBondContact O-N 2.92Å; P1491-L1494 VanDerWaalsContact O-N 3.08Å; P1491-F1511 HydrophobicContact CG-CE1 4.12Å |
| 1492 | R | 82.4 | Confident | 89 | Confident | 81 Ų | 81 | 50.8 Ų | 50.8 | 31% | 0.306 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -37.8 | -177.9 | -65.6 | 177.5 | -179.2 | -95.7 | 3.6 | 114.4 | V1093 D1094 H1223 E1263 S1350 L1494 | V1093-R1492 PolarHBondContact O-NE 3.43Å; V1093-R1492 VanDerWaalsContact O-NE 3.15Å; V1093-R1492 PolarHBondContact O-NH1 2.84Å; V1093-R1492 PolarHBondContact O-NH2 3.39Å; D1094-R1492 IonicContact OD1-CZ 2.84Å; D1094-R1492 IonicContact OD1-NH1 3.01Å; D1094-R1492 PolarHBondContact OD1-NH1 2.99Å; D1094-R1492 IonicContact OD1-NH2 2.98Å; D1094-R1492 PolarHBondContact OD1-NH2 2.84Å; H1223-R1492 WeakPolarHBondContact CD2-CG 3.34Å; H1223-R1492 PolarHBondContact CD2-NE 3.29Å; H1223-R1492 WeakPolarHBondContact NE2-CG 3.18Å; E1263-R1492 IonicContact OE1-CZ 2.84Å; E1263-R1492 IonicContact OE1-NE 3.23Å; E1263-R1492 PolarHBondContact OE1-NE 3.48Å; E1263-R1492 IonicContact OE1-NH2 3.46Å; E1263-R1492 IonicContact OE2-NE 3.82Å; S1350-R1492 PolarHBondContact OG-NH2 3.46Å; R1492-L1494 VanDerWaalsContact C-N 3.27Å; R1492-L1494 PolarHBondContact O-N 3.43Å |
| 1493 | W | 82.9 | Confident | 88.8 | Confident | 44 Ų | 44 | 46.9 Ų | 46.9 | 17% | 0.167 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -15.7 | -177.9 | 60.8 | -97.8 | 0 | 0 | 0 | 112.7 | M1296 N1298 L1299 Y1301 P1491 R1604 H1608 | M1296-W1493 HydrophobicContact SD-CZ2 3.79Å; N1298-W1493 HydrophobicContact CB-CD2 4.46Å; N1298-W1493 HydrophobicContact CB-CE3 4.26Å; N1298-W1493 HydrophobicContact CB-CH2 3.71Å; N1298-W1493 HydrophobicContact CB-CZ2 3.91Å; N1298-W1493 HydrophobicContact CB-CZ3 3.9Å; N1298-W1493 WeakPolarHBondContact ND2-CH2 3.47Å; N1298-W1493 WeakPolarHBondContact ND2-CZ3 3.38Å; L1299-W1493 HydrophobicContact CD1-CB 4Å; L1299-W1493 HydrophobicContact CD1-CG 4.26Å; Y1301-W1493 AromaticContact CD1-NE1 3.57Å; Y1301-W1493 AromaticContact CD2-CD1 3.81Å; Y1301-W1493 AromaticContact CD2-NE1 3.77Å; Y1301-W1493 AromaticContact CG-CD1 3.83Å; Y1301-W1493 AromaticContact CG-NE1 3.3Å; Y1301-W1493 VanDerWaalsContact CG-NE1 3.3Å; P1491-W1493 VanDerWaalsContact C-N 3.3Å; P1491-W1493 HydrophobicContact CB-CD2 4.46Å; P1491-W1493 HydrophobicContact CB-CG 4.45Å; P1491-W1493 HydrophobicContact CB-CZ2 4.35Å; P1491-W1493 PolarHBondContact O-N 2.97Å; W1493-R1604 HydrophobicContact CH2-CB 4.15Å; W1493-H1608 PolarHBondContact O-CE1 3Å; W1493-H1608 PolarHBondContact O-ND1 2.92Å |
| 1494 | L | 87.4 | Confident | 88.5 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -93.2 | 125.4 | -176.8 | -172.4 | 66 | 0 | 0 | 0 | 109.6 | W1490 P1491 R1492 A1496 L1510 F1511 R1604 Y1607 H1608 | W1490-L1494 HydrophobicContact CZ2-CD2 4.11Å; W1490-L1494 HydrophobicContact CZ2-CG 4.4Å; W1490-L1494 PolarHBondContact NE1-O 2.66Å; P1491-L1494 HydrophobicContact CB-CB 4.28Å; P1491-L1494 PolarHBondContact O-N 2.92Å; P1491-L1494 VanDerWaalsContact O-N 3.08Å; R1492-L1494 VanDerWaalsContact C-N 3.27Å; R1492-L1494 PolarHBondContact O-N 3.43Å; L1494-A1496 PolarHBondContact O-N 3.21Å; L1494-L1510 HydrophobicContact CD2-CD1 4.36Å; L1494-F1511 HydrophobicContact CD2-CE1 3.87Å; L1494-F1511 HydrophobicContact CD2-CZ 3.8Å; L1494-R1604 HydrophobicContact CD1-CB 4.38Å; L1494-R1604 HydrophobicContact CD2-CG 4.38Å; L1494-Y1607 HydrophobicContact CD1-CD1 3.72Å; L1494-Y1607 HydrophobicContact CD1-CE1 3.99Å; L1494-Y1607 HydrophobicContact CD2-CE1 4.49Å; L1494-Y1607 HydrophobicContact CG-CD1 4.2Å; L1494-Y1607 HydrophobicContact CG-CE1 4.02Å; L1494-H1608 HydrophobicContact CD1-CB 4.11Å |
| 1495 | H | 87.5 | Confident | 88.4 | Confident | 79 Ų | 79 | 42.4 Ų | 42.4 | 37% | 0.366 | 21% | 0.206 | S | C | . | . | trans | -53.2 | 113.8 | -179.3 | -174.8 | -79.3 | 0 | 0 | 0 | 111.7 | W1490 Y1607 H1608 S1611 | W1490-H1495 WeakPolarHBondContact CZ2-O 3.36Å; W1490-H1495 PolarHBondContact NE1-O 2.88Å; H1495-Y1607 VanDerWaalsContact O-CE1 3.3Å; H1495-Y1607 WeakPolarHBondContact O-CE1 3.38Å; H1495-Y1607 PolarHBondContact O-OH 3.47Å; H1495-H1608 PolarHBondContact N-ND1 2.92Å; H1495-S1611 WeakPolarHBondContact CB-OG 3.19Å; H1495-S1611 PolarHBondContact CE1-O 3.47Å | ||
| 1496 | A | 84.7 | Confident | 88.3 | Confident | 59 Ų | 59 | 40.1 Ų | 40.1 | 49% | 0.488 | 20% | 0.196 | S | C | . | . | trans | -76.8 | 152.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1494 | L1494-A1496 PolarHBondContact O-N 3.21Š| ||
| 1497 | Q | 86.8 | Confident | 88.3 | Confident | 26 Ų | 26 | 40.3 Ų | 40.3 | 12% | 0.121 | 20% | 0.196 | C | C | . | . | trans | -95 | 144.1 | 170.2 | -66.7 | -63.8 | -37.6 | 0 | 0 | 109.5 | W1490 R1502 I1503 Y1607 | W1490-Q1497 HydrophobicContact CH2-CG 4.33Å; Q1497-R1502 HydrophobicContact CB-CB 4.02Å; Q1497-R1502 HydrophobicContact CG-CB 3.98Å; Q1497-I1503 HydrophobicContact CB-CG1 3.74Å; Q1497-I1503 VanDerWaalsContact O-CD1 3.31Å; Q1497-I1503 WeakPolarHBondContact O-CD1 3.44Å; Q1497-I1503 WeakPolarHBondContact O-CG1 3.34Å; Q1497-Y1607 WeakPolarHBondContact CG-OH 3.4Å; Q1497-Y1607 PolarHBondContact NE2-OH 3.26Å | ||
| 1498 | T | 78.8 | Confident | 88.4 | Confident | 110 Ų | 110 | 40.6 Ų | 40.6 | 68% | 0.675 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -91.7 | -33.4 | 178.2 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1499 | E | 80.6 | Confident | 88.4 | Confident | 100 Ų | 100 | 40.2 Ų | 40.2 | 47% | 0.467 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -83.3 | 125.2 | -179 | -173.3 | 177.4 | -168.3 | 0 | 0 | 111.6 | Q1501 R1502 I1503 | E1499-Q1501 PolarHBondContact O-N 2.7Å; E1499-Q1501 VanDerWaalsContact O-N 3.09Å; E1499-R1502 HydrophobicContact CB-CG 4.35Å; E1499-R1502 PolarHBondContact O-N 3.11Å; E1499-I1503 WeakPolarHBondContact O-CG1 3.4Å; E1499-I1503 PolarHBondContact O-N 3.45Å; E1499-I1503 VanDerWaalsContact O-N 3.08Å |
| 1500 | K | 83.8 | Confident | 88.5 | Confident | 52 Ų | 52 | 39 Ų | 39 | 23% | 0.226 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -49.8 | -40.6 | -176.2 | -166.6 | 168.7 | -172 | 162.9 | 0 | 113.5 | T1216 D1237 Y1463 I1503 I1504 | T1216-K1500 HydrophobicContact CG2-CD 3.87Å; D1237-K1500 WeakPolarHBondContact OD1-CE 3.49Å; D1237-K1500 IonicContact OD1-NZ 3.49Å; D1237-K1500 PolarHBondContact OD1-NZ 3.06Å; Y1463-K1500 HydrophobicContact CD1-CG 4.23Å; Y1463-K1500 HydrophobicContact CE1-CG 4Å; K1500-I1503 WeakPolarHBondContact O-CB 3.48Å; K1500-I1503 PolarHBondContact O-N 3.16Å; K1500-I1504 HydrophobicContact CG-CD1 4.48Å; K1500-I1504 WeakPolarHBondContact O-CG1 3.38Å; K1500-I1504 PolarHBondContact O-N 3.49Å |
| 1501 | Q | 84.8 | Confident | 88.7 | Confident | 97 Ų | 97 | 38.2 Ų | 38.2 | 45% | 0.453 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.2 | -44.9 | 178.8 | -176.1 | 167.4 | -2.4 | 0 | 0 | 112.7 | E1499 I1503 I1504 W1505 | E1499-Q1501 PolarHBondContact O-N 2.7Å; E1499-Q1501 VanDerWaalsContact O-N 3.09Å; Q1501-I1503 VanDerWaalsContact C-N 3.28Å; Q1501-I1503 PolarHBondContact O-N 2.96Å; Q1501-I1504 PolarHBondContact O-N 3.38Å; Q1501-W1505 HydrophobicContact CG-CD2 4.22Å; Q1501-W1505 HydrophobicContact CG-CH2 4.11Å; Q1501-W1505 HydrophobicContact CG-CZ2 3.75Å; Q1501-W1505 HydrophobicContact CG-CZ3 4.48Å; Q1501-W1505 PolarHBondContact O-N 2.93Å |
| 1502 | R | 88.8 | Confident | 88.9 | Confident | 34 Ų | 34 | 38.2 Ų | 38.2 | 13% | 0.128 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.1 | -32.4 | 177.1 | -59.1 | -168.8 | 91.2 | 176.6 | 7.6 | 111.7 | Q1497 E1499 W1505 G1506 P1614 S1616 L1617 | Q1497-R1502 HydrophobicContact CB-CB 4.02Å; Q1497-R1502 HydrophobicContact CG-CB 3.98Å; E1499-R1502 HydrophobicContact CB-CG 4.35Å; E1499-R1502 PolarHBondContact O-N 3.11Å; R1502-W1505 HydrophobicContact CB-CE3 4.36Å; R1502-W1505 HydrophobicContact CG-CE3 4.03Å; R1502-W1505 HydrophobicContact CG-CZ3 4.07Å; R1502-W1505 PolarHBondContact O-N 3.11Å; R1502-G1506 PolarHBondContact O-N 3.27Å; R1502-P1614 PolarHBondContact NH1-O 3.3Å; R1502-S1616 PolarHBondContact NH2-O 3.37Å; R1502-L1617 PolarHBondContact NH2-O 3.48Å |
| 1503 | I | 90.8 | Very high | 89.4 | Confident | 35 Ų | 35 | 34.5 Ų | 34.5 | 18% | 0.179 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.6 | -48.3 | 173.3 | -57.7 | 170.1 | 0 | 0 | 0 | 110.4 | Y1463 W1490 Q1497 E1499 K1500 Q1501 W1505 G1506 Y1507 | Y1463-I1503 WeakPolarHBondContact OH-CG2 3.46Å; W1490-I1503 HydrophobicContact CE3-CG2 4.23Å; W1490-I1503 HydrophobicContact CZ3-CG2 4.22Å; Q1497-I1503 HydrophobicContact CB-CG1 3.74Å; Q1497-I1503 VanDerWaalsContact O-CD1 3.31Å; Q1497-I1503 WeakPolarHBondContact O-CD1 3.44Å; Q1497-I1503 WeakPolarHBondContact O-CG1 3.34Å; E1499-I1503 WeakPolarHBondContact O-CG1 3.4Å; E1499-I1503 PolarHBondContact O-N 3.45Å; E1499-I1503 VanDerWaalsContact O-N 3.08Å; K1500-I1503 WeakPolarHBondContact O-CB 3.48Å; K1500-I1503 PolarHBondContact O-N 3.16Å; Q1501-I1503 VanDerWaalsContact C-N 3.28Å; Q1501-I1503 PolarHBondContact O-N 2.96Å; I1503-W1505 VanDerWaalsContact C-N 3.32Å; I1503-W1505 PolarHBondContact O-N 3.46Å; I1503-G1506 WeakPolarHBondContact O-CA 3.41Å; I1503-G1506 PolarHBondContact O-N 2.89Å; I1503-G1506 VanDerWaalsContact O-N 3.07Å; I1503-Y1507 HydrophobicContact CG2-CD2 3.9Å; I1503-Y1507 HydrophobicContact CG2-CE2 3.58Å; I1503-Y1507 VanDerWaalsContact O-CD2 3.3Å; I1503-Y1507 WeakPolarHBondContact O-CD2 3.3Å; I1503-Y1507 PolarHBondContact O-N 3.5Å |
| 1504 | I | 91.1 | Very high | 90 | Very high | 16 Ų | 16 | 33 Ų | 33 | 8% | 0.082 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.9 | -45.1 | 177.5 | -67 | 168.4 | 0 | 0 | 0 | 110.6 | V1430 Y1463 K1500 Q1501 G1506 Y1507 K1508 | V1430-I1504 HydrophobicContact CG1-CG2 3.82Å; V1430-I1504 HydrophobicContact CG2-CG2 4.03Å; Y1463-I1504 HydrophobicContact CD1-CD1 3.78Å; Y1463-I1504 HydrophobicContact CD1-CG1 3.65Å; Y1463-I1504 HydrophobicContact CD2-CG1 4.19Å; Y1463-I1504 HydrophobicContact CE1-CD1 4.26Å; Y1463-I1504 HydrophobicContact CE1-CG1 3.73Å; Y1463-I1504 HydrophobicContact CE2-CG1 4.26Å; Y1463-I1504 HydrophobicContact CG-CD1 4.12Å; Y1463-I1504 HydrophobicContact CG-CG1 3.9Å; K1500-I1504 HydrophobicContact CG-CD1 4.48Å; K1500-I1504 WeakPolarHBondContact O-CG1 3.38Å; K1500-I1504 PolarHBondContact O-N 3.49Å; Q1501-I1504 PolarHBondContact O-N 3.38Å; I1504-G1506 VanDerWaalsContact C-N 3.3Å; I1504-G1506 PolarHBondContact O-N 2.99Å; I1504-Y1507 PolarHBondContact O-N 2.94Å; I1504-Y1507 VanDerWaalsContact O-N 3.13Å; I1504-K1508 PolarHBondContact O-N 2.89Å; I1504-K1508 VanDerWaalsContact O-N 3.07Å |
| 1505 | W | 92.6 | Very high | 90.3 | Very high | 42 Ų | 42 | 33.2 Ų | 33.2 | 16% | 0.159 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.5 | -39.7 | 175.2 | -65.6 | -27.2 | 0 | 0 | 0 | 112.7 | Q1501 R1502 I1503 Y1507 K1508 S1618 N1619 L1620 D1621 | Q1501-W1505 HydrophobicContact CG-CD2 4.22Å; Q1501-W1505 HydrophobicContact CG-CH2 4.11Å; Q1501-W1505 HydrophobicContact CG-CZ2 3.75Å; Q1501-W1505 HydrophobicContact CG-CZ3 4.48Å; Q1501-W1505 PolarHBondContact O-N 2.93Å; R1502-W1505 HydrophobicContact CB-CE3 4.36Å; R1502-W1505 HydrophobicContact CG-CE3 4.03Å; R1502-W1505 HydrophobicContact CG-CZ3 4.07Å; R1502-W1505 PolarHBondContact O-N 3.11Å; I1503-W1505 VanDerWaalsContact C-N 3.32Å; I1503-W1505 PolarHBondContact O-N 3.46Å; W1505-Y1507 VanDerWaalsContact C-N 3.34Å; W1505-Y1507 PolarHBondContact O-N 2.86Å; W1505-K1508 WeakPolarHBondContact O-CB 3.38Å; W1505-K1508 PolarHBondContact O-N 3.18Å; W1505-S1618 VanDerWaalsContact CZ3-O 3.29Å; W1505-S1618 WeakPolarHBondContact CZ3-O 3.46Å; W1505-N1619 WeakPolarHBondContact CH2-OD1 3.47Å; W1505-L1620 HydrophobicContact CB-CB 3.98Å; W1505-L1620 HydrophobicContact CB-CD2 4.48Å; W1505-L1620 HydrophobicContact CB-CG 4.43Å; W1505-L1620 HydrophobicContact CE3-CB 4.35Å; W1505-D1621 HydrophobicContact CB-CB 3.93Å; W1505-D1621 HydrophobicContact CG-CB 4.32Å |
| 1506 | G | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.8 | -45.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1502 I1503 I1504 K1508 I1509 L1510 | R1502-G1506 PolarHBondContact O-N 3.27Å; I1503-G1506 WeakPolarHBondContact O-CA 3.41Å; I1503-G1506 PolarHBondContact O-N 2.89Å; I1503-G1506 VanDerWaalsContact O-N 3.07Å; I1504-G1506 VanDerWaalsContact C-N 3.3Å; I1504-G1506 PolarHBondContact O-N 2.99Å; G1506-K1508 VanDerWaalsContact C-N 3.31Å; G1506-K1508 PolarHBondContact O-N 3.44Å; G1506-I1509 PolarHBondContact O-N 3.06Å; G1506-L1510 VanDerWaalsContact O-CB 3.31Å; G1506-L1510 WeakPolarHBondContact O-CB 3.35Å; G1506-L1510 WeakPolarHBondContact O-CG 3.45Å; G1506-L1510 PolarHBondContact O-N 3.46Å |
| 1507 | Y | 94.6 | Very high | 91 | Very high | 10 Ų | 10 | 28.3 Ų | 28.3 | 4% | 0.039 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66 | -28.9 | 177.4 | -79 | -75.1 | 0 | 0 | 0 | 114.3 | L1460 Y1463 Y1488 W1490 I1503 I1504 W1505 I1509 F1511 | L1460-Y1507 HydrophobicContact CD1-CD1 4.27Å; L1460-Y1507 HydrophobicContact CD1-CG 4.5Å; L1460-Y1507 HydrophobicContact CD2-CD1 4.29Å; L1460-Y1507 HydrophobicContact CD2-CD2 4.05Å; L1460-Y1507 HydrophobicContact CD2-CG 3.71Å; Y1463-Y1507 HydrophobicContact CE2-CD2 4.09Å; Y1463-Y1507 HydrophobicContact CE2-CE2 4.27Å; Y1463-Y1507 WeakPolarHBondContact OH-CE2 3.34Å; Y1488-Y1507 WeakPolarHBondContact O-CE1 3.48Å; Y1488-Y1507 PolarHBondContact O-OH 3.06Å; W1490-Y1507 HydrophobicContact CE3-CE2 4.19Å; W1490-Y1507 PolarHBondContact N-OH 3.14Å; I1503-Y1507 HydrophobicContact CG2-CD2 3.9Å; I1503-Y1507 HydrophobicContact CG2-CE2 3.58Å; I1503-Y1507 VanDerWaalsContact O-CD2 3.3Å; I1503-Y1507 WeakPolarHBondContact O-CD2 3.3Å; I1503-Y1507 PolarHBondContact O-N 3.5Å; I1504-Y1507 PolarHBondContact O-N 2.94Å; I1504-Y1507 VanDerWaalsContact O-N 3.13Å; W1505-Y1507 VanDerWaalsContact C-N 3.34Å; W1505-Y1507 PolarHBondContact O-N 2.86Å; Y1507-I1509 PolarHBondContact O-N 2.68Å; Y1507-F1511 AromaticContact CD1-CD2 3.45Å; Y1507-F1511 HydrophobicContact CD1-CD2 3.45Å; Y1507-F1511 VanDerWaalsContact CD1-CD2 3.45Å; Y1507-F1511 AromaticContact CD1-CE2 3.95Å; Y1507-F1511 HydrophobicContact CD1-CE2 3.95Å; Y1507-F1511 HydrophobicContact CD1-CG 4.48Å; Y1507-F1511 AromaticContact CE1-CD2 3.66Å; Y1507-F1511 HydrophobicContact CE1-CD2 3.66Å; Y1507-F1511 AromaticContact CE1-CE2 3.85Å; Y1507-F1511 HydrophobicContact CE1-CE2 3.85Å; Y1507-F1511 HydrophobicContact CG-CD2 4.16Å; Y1507-F1511 HydrophobicContact CG-CE2 4.45Å |
| 1508 | K | 93.8 | Very high | 91.1 | Very high | 11 Ų | 11 | 28 Ų | 28 | 5% | 0.048 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.1 | -25 | 174.9 | -70.6 | -175.2 | 175.9 | -166.9 | 0 | 112.3 | V1430 I1504 W1505 G1506 F1525 D1527 Y1587 D1621 | V1430-K1508 HydrophobicContact CG1-CD 4.36Å; V1430-K1508 HydrophobicContact CG1-CG 4.2Å; I1504-K1508 PolarHBondContact O-N 2.89Å; I1504-K1508 VanDerWaalsContact O-N 3.07Å; W1505-K1508 WeakPolarHBondContact O-CB 3.38Å; W1505-K1508 PolarHBondContact O-N 3.18Å; G1506-K1508 VanDerWaalsContact C-N 3.31Å; G1506-K1508 PolarHBondContact O-N 3.44Å; K1508-F1525 HydrophobicContact CD-CE1 4.34Å; K1508-F1525 HydrophobicContact CD-CE2 4.11Å; K1508-F1525 HydrophobicContact CD-CZ 3.76Å; K1508-F1525 HydrophobicContact CG-CE2 4.16Å; K1508-F1525 HydrophobicContact CG-CZ 4.32Å; K1508-D1527 IonicContact NZ-OD1 2.89Å; K1508-D1527 PolarHBondContact NZ-OD1 3.06Å; K1508-D1527 IonicContact NZ-OD2 2.97Å; K1508-Y1587 PolarHBondContact O-OH 2.71Å; K1508-D1621 HydrophobicContact CB-CB 4.16Å; K1508-D1621 HydrophobicContact CD-CB 4.42Å |
| 1509 | I | 95.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -129.8 | -40.2 | -171.1 | -167.1 | 56.2 | 0 | 0 | 0 | 116 | G1506 Y1507 F1511 L1512 L1603 L1624 P1625 | G1506-I1509 PolarHBondContact O-N 3.06Å; Y1507-I1509 PolarHBondContact O-N 2.68Å; I1509-F1511 PolarHBondContact O-N 3.47Å; I1509-L1512 HydrophobicContact CD1-CD1 4.01Å; I1509-L1603 HydrophobicContact CD1-CD1 4.15Å; I1509-L1603 HydrophobicContact CG1-CD1 4.18Å; I1509-L1624 HydrophobicContact CG2-CD2 4.28Å; I1509-P1625 HydrophobicContact CD1-CG 3.88Å; I1509-P1625 HydrophobicContact CG1-CG 3.92Å |
| 1510 | L | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -22.6 | -167.5 | -64.7 | 178 | 0 | 0 | 0 | 114 | W1490 L1494 G1506 L1603 R1604 Y1607 L1624 | W1490-L1510 HydrophobicContact CH2-CD1 3.74Å; W1490-L1510 HydrophobicContact CZ2-CD1 3.97Å; L1494-L1510 HydrophobicContact CD2-CD1 4.36Å; G1506-L1510 VanDerWaalsContact O-CB 3.31Å; G1506-L1510 WeakPolarHBondContact O-CB 3.35Å; G1506-L1510 WeakPolarHBondContact O-CG 3.45Å; G1506-L1510 PolarHBondContact O-N 3.46Å; L1510-L1603 HydrophobicContact CD2-CB 4.49Å; L1510-R1604 HydrophobicContact CB-CG 4.31Å; L1510-R1604 HydrophobicContact CD2-CG 4.37Å; L1510-R1604 PolarHBondContact O-NH1 3.38Å; L1510-Y1607 HydrophobicContact CD1-CD1 3.95Å; L1510-Y1607 HydrophobicContact CD1-CD2 4.2Å; L1510-Y1607 HydrophobicContact CD1-CE1 4.15Å; L1510-Y1607 HydrophobicContact CD1-CE2 4.37Å; L1510-Y1607 HydrophobicContact CD1-CG 3.97Å; L1510-Y1607 HydrophobicContact CD2-CG 4.06Å; L1510-L1624 HydrophobicContact CD2-CD2 3.52Å |
| 1511 | F | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | 13.7 | -168.2 | -53.2 | -58.9 | 0 | 0 | 0 | 113.7 | Y1488 W1490 P1491 L1494 Y1507 I1509 D1513 V1514 L1515 | Y1488-F1511 HydrophobicContact CD1-CB 4.25Å; Y1488-F1511 AromaticContact CD1-CD1 3.94Å; Y1488-F1511 HydrophobicContact CD1-CD1 3.94Å; Y1488-F1511 HydrophobicContact CD1-CE1 4.48Å; Y1488-F1511 HydrophobicContact CD1-CG 4Å; Y1488-F1511 AromaticContact CE1-CD1 3.91Å; Y1488-F1511 HydrophobicContact CE1-CD1 3.91Å; Y1488-F1511 HydrophobicContact CE1-CE1 4.36Å; Y1488-F1511 HydrophobicContact CE1-CG 4.41Å; W1490-F1511 HydrophobicContact CD2-CE2 4.13Å; W1490-F1511 AromaticContact CD2-CZ 3.89Å; W1490-F1511 HydrophobicContact CD2-CZ 3.89Å; W1490-F1511 AromaticContact CE3-CE2 3.72Å; W1490-F1511 HydrophobicContact CE3-CE2 3.72Å; W1490-F1511 AromaticContact CE3-CZ 3.96Å; W1490-F1511 HydrophobicContact CE3-CZ 3.96Å; W1490-F1511 HydrophobicContact CG-CZ 4.26Å; W1490-F1511 AromaticContact CZ3-CE2 4Å; W1490-F1511 HydrophobicContact CZ3-CE2 4Å; W1490-F1511 HydrophobicContact CZ3-CZ 4.39Å; P1491-F1511 HydrophobicContact CG-CE1 4.12Å; L1494-F1511 HydrophobicContact CD2-CE1 3.87Å; L1494-F1511 HydrophobicContact CD2-CZ 3.8Å; Y1507-F1511 AromaticContact CD1-CD2 3.45Å; Y1507-F1511 HydrophobicContact CD1-CD2 3.45Å; Y1507-F1511 VanDerWaalsContact CD1-CD2 3.45Å; Y1507-F1511 AromaticContact CD1-CE2 3.95Å; Y1507-F1511 HydrophobicContact CD1-CE2 3.95Å; Y1507-F1511 HydrophobicContact CD1-CG 4.48Å; Y1507-F1511 AromaticContact CE1-CD2 3.66Å; Y1507-F1511 HydrophobicContact CE1-CD2 3.66Å; Y1507-F1511 AromaticContact CE1-CE2 3.85Å; Y1507-F1511 HydrophobicContact CE1-CE2 3.85Å; Y1507-F1511 HydrophobicContact CG-CD2 4.16Å; Y1507-F1511 HydrophobicContact CG-CE2 4.45Å; I1509-F1511 PolarHBondContact O-N 3.47Å; F1511-D1513 PolarHBondContact O-N 3.17Å; F1511-D1513 VanDerWaalsContact O-N 3.12Å; F1511-V1514 HydrophobicContact CB-CG2 3.89Å; F1511-V1514 HydrophobicContact CD1-CG2 4.35Å; F1511-V1514 WeakPolarHBondContact O-CG2 3.3Å; F1511-V1514 PolarHBondContact O-N 3.27Å; F1511-L1515 HydrophobicContact CB-CB 4.46Å; F1511-L1515 WeakPolarHBondContact O-CB 3.43Å; F1511-L1515 PolarHBondContact O-N 3.48Å |
| 1512 | L | 95.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56.7 | -30.9 | -176.6 | -67.9 | 170.4 | 0 | 0 | 0 | 113.4 | I1509 F1516 Y1587 V1589 L1591 F1594 | I1509-L1512 HydrophobicContact CD1-CD1 4.01Å; L1512-F1516 HydrophobicContact CD2-CE2 3.94Å; L1512-F1516 WeakPolarHBondContact O-CD2 3.33Å; L1512-Y1587 HydrophobicContact CD1-CE2 4.47Å; L1512-V1589 HydrophobicContact CD1-CG1 4.43Å; L1512-V1589 HydrophobicContact CD1-CG2 4.04Å; L1512-L1591 HydrophobicContact CB-CD2 4.34Å; L1512-L1591 WeakPolarHBondContact O-CD2 3.43Å; L1512-F1594 HydrophobicContact CB-CE1 4.17Å; L1512-F1594 HydrophobicContact CB-CZ 4.12Å; L1512-F1594 HydrophobicContact CD1-CE2 4.27Å; L1512-F1594 HydrophobicContact CD1-CZ 4.36Å |
| 1513 | D | 94 | Very high | 93.1 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.6 | -31.6 | 178.1 | 51.3 | -18.3 | 0 | 0 | 0 | 114.4 | I1294 F1511 F1594 R1595 R1604 | I1294-D1513 HydrophobicContact CD1-CB 3.97Å; F1511-D1513 PolarHBondContact O-N 3.17Å; F1511-D1513 VanDerWaalsContact O-N 3.12Å; D1513-F1594 HydrophobicContact CB-CD1 3.88Å; D1513-F1594 HydrophobicContact CB-CE1 3.84Å; D1513-R1595 HydrophobicContact CB-CG 3.91Å; D1513-R1595 PolarHBondContact O-NE 3.49Å; D1513-R1595 PolarHBondContact O-NH2 3.48Å; D1513-R1604 IonicContact OD1-CZ 3.97Å; D1513-R1604 IonicContact OD1-NH1 3.36Å; D1513-R1604 PolarHBondContact OD1-NH1 3.16Å; D1513-R1604 IonicContact OD1-NH2 3.97Å; D1513-R1604 IonicContact OD2-CZ 2.61Å; D1513-R1604 IonicContact OD2-NH1 2.77Å; D1513-R1604 PolarHBondContact OD2-NH1 2.88Å; D1513-R1604 VanDerWaalsContact OD2-NH1 3.12Å; D1513-R1604 IonicContact OD2-NH2 2.96Å; D1513-R1604 PolarHBondContact OD2-NH2 3.21Å |
| 1514 | V | 94.8 | Very high | 93.4 | Very high | 14 Ų | 14 | 17.5 Ų | 17.5 | 9% | 0.085 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -112.6 | -16.5 | -172.4 | -69.8 | 0 | 0 | 0 | 0 | 114.3 | I1294 M1296 Y1488 F1511 | I1294-V1514 HydrophobicContact CD1-CG1 4.19Å; I1294-V1514 HydrophobicContact CG1-CG1 3.54Å; M1296-V1514 HydrophobicContact CE-CB 4.44Å; M1296-V1514 HydrophobicContact CE-CG1 3.84Å; M1296-V1514 HydrophobicContact CE-CG2 3.88Å; Y1488-V1514 HydrophobicContact CD1-CG2 4.01Å; Y1488-V1514 HydrophobicContact CD2-CB 4.3Å; Y1488-V1514 HydrophobicContact CD2-CG2 4.14Å; Y1488-V1514 HydrophobicContact CE1-CB 4.42Å; Y1488-V1514 HydrophobicContact CE1-CG2 3.57Å; Y1488-V1514 HydrophobicContact CE2-CB 3.72Å; Y1488-V1514 HydrophobicContact CE2-CG2 3.74Å; Y1488-V1514 HydrophobicContact CG-CG2 4.27Å; Y1488-V1514 VanDerWaalsContact CZ-CG2 3.43Å; F1511-V1514 HydrophobicContact CB-CG2 3.89Å; F1511-V1514 HydrophobicContact CD1-CG2 4.35Å; F1511-V1514 WeakPolarHBondContact O-CG2 3.3Å; F1511-V1514 PolarHBondContact O-N 3.27Å |
| 1515 | L | 94.3 | Very high | 93.7 | Very high | 8 Ų | 8 | 16.8 Ų | 16.8 | 4% | 0.042 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -73.2 | -33.4 | -177.6 | -176.4 | 64.2 | 0 | 0 | 0 | 112.1 | F1428 L1460 V1486 F1511 | F1428-L1515 HydrophobicContact CE2-CD2 4.21Å; F1428-L1515 HydrophobicContact CZ-CD2 3.93Å; L1460-L1515 HydrophobicContact CD1-CD1 4.05Å; L1460-L1515 HydrophobicContact CD1-CD2 4.48Å; V1486-L1515 HydrophobicContact CB-CD1 3.94Å; V1486-L1515 HydrophobicContact CB-CG 4Å; V1486-L1515 WeakPolarHBondContact CG1-O 3.32Å; V1486-L1515 HydrophobicContact CG2-CD1 4.03Å; V1486-L1515 HydrophobicContact CG2-CD2 4.08Å; V1486-L1515 HydrophobicContact CG2-CG 3.84Å; F1511-L1515 HydrophobicContact CB-CB 4.46Å; F1511-L1515 WeakPolarHBondContact O-CB 3.43Å; F1511-L1515 PolarHBondContact O-N 3.48Å |
| 1516 | F | 95.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.018 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -102.8 | 145.1 | -179.4 | -54.4 | -72.5 | 0 | 0 | 0 | 111.2 | F1428 W1458 V1486 L1512 V1520 I1523 L1591 R1595 | F1428-F1516 HydrophobicContact CB-CE1 4.33Å; F1428-F1516 HydrophobicContact CB-CZ 3.93Å; F1428-F1516 AromaticContact CD1-CZ 3.91Å; F1428-F1516 HydrophobicContact CD1-CZ 3.91Å; F1428-F1516 AromaticContact CD2-CE1 3.95Å; F1428-F1516 HydrophobicContact CD2-CE1 3.95Å; F1428-F1516 AromaticContact CD2-CZ 3.72Å; F1428-F1516 HydrophobicContact CD2-CZ 3.72Å; F1428-F1516 HydrophobicContact CE1-CZ 4.38Å; F1428-F1516 HydrophobicContact CE2-CZ 4.21Å; F1428-F1516 HydrophobicContact CG-CE1 4.16Å; F1428-F1516 AromaticContact CG-CZ 3.59Å; F1428-F1516 HydrophobicContact CG-CZ 3.59Å; W1458-F1516 HydrophobicContact CB-CD1 4.48Å; W1458-F1516 HydrophobicContact CB-CE1 3.89Å; W1458-F1516 HydrophobicContact CD2-CD1 4.16Å; W1458-F1516 HydrophobicContact CD2-CE1 4.44Å; W1458-F1516 HydrophobicContact CE3-CD1 4.06Å; W1458-F1516 HydrophobicContact CG-CD1 4.38Å; W1458-F1516 HydrophobicContact CG-CE1 4.21Å; V1486-F1516 HydrophobicContact CG1-CD1 4.05Å; V1486-F1516 HydrophobicContact CG1-CE1 4.33Å; V1486-F1516 HydrophobicContact CG2-CE1 4.05Å; L1512-F1516 HydrophobicContact CD2-CE2 3.94Å; L1512-F1516 WeakPolarHBondContact O-CD2 3.33Å; F1516-V1520 HydrophobicContact CB-CB 4.41Å; F1516-V1520 HydrophobicContact CB-CG2 4.45Å; F1516-I1523 HydrophobicContact CD1-CD1 3.59Å; F1516-I1523 HydrophobicContact CD2-CD1 4.12Å; F1516-I1523 HydrophobicContact CE1-CD1 3.31Å; F1516-I1523 HydrophobicContact CE2-CD1 3.87Å; F1516-I1523 HydrophobicContact CE2-CG2 4.26Å; F1516-I1523 HydrophobicContact CG-CD1 4.01Å; F1516-I1523 HydrophobicContact CZ-CD1 3.48Å; F1516-I1523 VanDerWaalsContact CZ-CD1 3.48Å; F1516-L1591 HydrophobicContact CB-CD1 4.09Å; F1516-L1591 HydrophobicContact CD2-CD1 3.94Å; F1516-L1591 HydrophobicContact CD2-CD2 4.3Å; F1516-L1591 HydrophobicContact CG-CD1 4.24Å; F1516-R1595 PolarHBondContact O-NH2 3.37Å |
| 1517 | P | 91.5 | Very high | 93.8 | Very high | 30 Ų | 30 | 16.3 Ų | 16.3 | 20% | 0.195 | 9% | 0.087 | C | C | . | . | trans | -53.8 | 153.5 | 173.4 | -25 | 34.4 | 0 | 0 | 0 | 112.3 | W1458 N1519 V1520 R1595 | W1458-P1517 HydrophobicContact CH2-CG 4.31Å; W1458-P1517 HydrophobicContact CZ3-CG 4.26Å; P1517-N1519 WeakPolarHBondContact CB-OD1 3.23Å; P1517-N1519 PolarHBondContact O-N 3.43Å; P1517-N1519 VanDerWaalsContact O-N 3.13Å; P1517-V1520 PolarHBondContact O-N 2.86Å; P1517-R1595 PolarHBondContact O-NH2 3.44Å; P1517-R1595 VanDerWaalsContact O-NH2 3.12Å | ||
| 1518 | L | 88.8 | Confident | 93.8 | Very high | 19 Ų | 19 | 15.8 Ų | 15.8 | 10% | 0.099 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -9.6 | -171.1 | -59 | 175.4 | 0 | 0 | 0 | 113.9 | Q1279 D1292 I1294 R1595 | Q1279-L1518 HydrophobicContact CB-CD1 4Å; Q1279-L1518 HydrophobicContact CG-CD1 4.04Å; D1292-L1518 HydrophobicContact CB-CD1 3.98Å; D1292-L1518 HydrophobicContact CB-CG 4.28Å; D1292-L1518 VanDerWaalsContact OD2-CB 3.25Å; D1292-L1518 WeakPolarHBondContact OD2-CB 3.42Å; D1292-L1518 VanDerWaalsContact OD2-CG 3.25Å; D1292-L1518 WeakPolarHBondContact OD2-CG 3.35Å; D1292-L1518 PolarHBondContact OD2-N 3.3Å; D1292-L1518 VanDerWaalsContact OD2-N 3.09Å; I1294-L1518 HydrophobicContact CG2-CD1 4.3Å; I1294-L1518 HydrophobicContact CG2-CD2 3.56Å; L1518-R1595 PolarHBondContact O-NH1 3.46Å |
| 1519 | N | 86.8 | Confident | 93.7 | Very high | 109 Ų | 109 | 15.5 Ų | 15.5 | 58% | 0.583 | 8% | 0.084 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -14.5 | 175 | 64.9 | -5.1 | 0 | 0 | 0 | 113.6 | P1517 | P1517-N1519 WeakPolarHBondContact CB-OD1 3.23Å; P1517-N1519 PolarHBondContact O-N 3.43Å; P1517-N1519 VanDerWaalsContact O-N 3.13Å |
| 1520 | V | 91.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 15.6 Ų | 15.6 | 3% | 0.03 | 9% | 0.085 | C | C | . | . | trans | -79.2 | 121.3 | 175.1 | -171.1 | 0 | 0 | 0 | 0 | 108.9 | N1426 W1458 F1516 P1517 L1591 R1595 | N1426-V1520 HydrophobicContact CB-CG1 4.41Å; W1458-V1520 HydrophobicContact CH2-CG2 3.76Å; W1458-V1520 HydrophobicContact CZ2-CG2 3.59Å; F1516-V1520 HydrophobicContact CB-CB 4.41Å; F1516-V1520 HydrophobicContact CB-CG2 4.45Å; P1517-V1520 PolarHBondContact O-N 2.86Å; V1520-L1591 HydrophobicContact CB-CD1 4.07Å; V1520-L1591 HydrophobicContact CG1-CD1 3.85Å; V1520-R1595 PolarHBondContact O-NH1 2.72Å | ||
| 1521 | T | 91.4 | Very high | 93.6 | Very high | 45 Ų | 45 | 15.7 Ų | 15.7 | 28% | 0.276 | 9% | 0.085 | S | C | . | . | trans | -96.8 | -37.3 | -172.7 | 75 | 0 | 0 | 0 | 0 | 113.2 | Q1422 L1591 T1592 | Q1422-T1521 PolarHBondContact OE1-OG1 3.12Å; T1521-L1591 WeakPolarHBondContact O-CA 3.35Å; T1521-L1591 WeakPolarHBondContact O-CB 3.16Å; T1521-L1591 PolarHBondContact O-N 3.26Å; T1521-T1592 PolarHBondContact O-N 3Å; T1521-T1592 PolarHBondContact O-OG1 3.19Å | ||
| 1522 | K | 94.3 | Very high | 93.6 | Very high | 44 Ų | 44 | 15.8 Ų | 15.8 | 19% | 0.191 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 143.3 | -180 | -161.2 | -177.7 | -76.2 | -173 | 0 | 109.3 | A1540 L1542 V1588 V1589 | K1522-A1540 WeakPolarHBondContact CD-O 3.22Å; K1522-A1540 WeakPolarHBondContact CE-O 3.47Å; K1522-A1540 PolarHBondContact NZ-O 3.03Å; K1522-L1542 PolarHBondContact NZ-O 3.44Å; K1522-V1588 HydrophobicContact CD-CG2 3.9Å; K1522-V1588 HydrophobicContact CG-CG2 3.98Å; K1522-V1589 CarbonylContact C-O 3.42Å; K1522-V1589 VanDerWaalsContact CA-O 3.28Å; K1522-V1589 WeakPolarHBondContact CA-O 3.31Å; K1522-V1589 VanDerWaalsContact CG-O 3.24Å; K1522-V1589 WeakPolarHBondContact CG-O 3.41Å |
| 1523 | I | 95.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 2% | 0.015 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 143.2 | 179.5 | -163.2 | 149.6 | 0 | 0 | 0 | 110.9 | N1426 F1428 W1458 F1516 V1589 L1591 | N1426-I1523 HydrophobicContact CB-CG1 4.26Å; F1428-I1523 HydrophobicContact CB-CD1 3.82Å; F1428-I1523 HydrophobicContact CB-CG1 3.85Å; W1458-I1523 HydrophobicContact CB-CD1 4.39Å; W1458-I1523 HydrophobicContact CG-CD1 4.05Å; F1516-I1523 HydrophobicContact CD1-CD1 3.59Å; F1516-I1523 HydrophobicContact CD2-CD1 4.12Å; F1516-I1523 HydrophobicContact CE1-CD1 3.31Å; F1516-I1523 HydrophobicContact CE2-CD1 3.87Å; F1516-I1523 HydrophobicContact CE2-CG2 4.26Å; F1516-I1523 HydrophobicContact CG-CD1 4.01Å; F1516-I1523 HydrophobicContact CZ-CD1 3.48Å; F1516-I1523 VanDerWaalsContact CZ-CD1 3.48Å; I1523-V1589 HydrophobicContact CG2-CB 3.97Å; I1523-V1589 HydrophobicContact CG2-CG2 4.44Å; I1523-V1589 PolarHBondContact N-O 3.42Å; I1523-V1589 PolarHBondContact O-N 2.61Å; I1523-L1591 HydrophobicContact CB-CD1 4.28Å; I1523-L1591 HydrophobicContact CG2-CD1 3.97Å; I1523-L1591 HydrophobicContact CG2-CD2 4.21Å; I1523-L1591 HydrophobicContact CG2-CG 4Å |
| 1524 | I | 96.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.015 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123.3 | 178.1 | -56.3 | 168.9 | 0 | 0 | 0 | 108 | I1425 N1426 I1427 F1428 V1526 L1536 L1539 A1540 L1586 V1588 | I1425-I1524 HydrophobicContact CG2-CD1 4.19Å; N1426-I1524 PolarHBondContact O-N 2.9Å; I1427-I1524 CarbonylContact C-O 3.43Å; I1427-I1524 VanDerWaalsContact CA-O 3.28Å; I1427-I1524 WeakPolarHBondContact CA-O 3.47Å; F1428-I1524 PolarHBondContact N-O 2.77Å; I1524-V1526 HydrophobicContact CG2-CG2 4.02Å; I1524-L1536 HydrophobicContact CD1-CB 4.39Å; I1524-L1539 HydrophobicContact CD1-CB 3.88Å; I1524-A1540 HydrophobicContact CD1-CB 4.15Å; I1524-L1586 HydrophobicContact CG2-CD1 4.08Å; I1524-V1588 HydrophobicContact CG1-CB 4.36Å; I1524-V1588 HydrophobicContact CG1-CG2 3.99Å |
| 1525 | F | 96.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 129.6 | 169.1 | 177.2 | -95.2 | 0 | 0 | 0 | 110.4 | F1428 V1430 K1508 D1527 S1584 L1586 Y1587 | F1428-F1525 AromaticContact CD1-CD2 3.55Å; F1428-F1525 HydrophobicContact CD1-CD2 3.55Å; F1428-F1525 HydrophobicContact CD1-CE2 4.27Å; F1428-F1525 AromaticContact CE1-CD2 3.99Å; F1428-F1525 HydrophobicContact CE1-CD2 3.99Å; F1428-F1525 HydrophobicContact CE1-CE2 4.35Å; F1428-F1525 HydrophobicContact CG-CD2 4.26Å; F1428-F1525 WeakPolarHBondContact O-CA 3.48Å; F1428-F1525 WeakPolarHBondContact O-CD2 3.48Å; V1430-F1525 HydrophobicContact CG1-CE2 4.27Å; K1508-F1525 HydrophobicContact CD-CE1 4.34Å; K1508-F1525 HydrophobicContact CD-CE2 4.11Å; K1508-F1525 HydrophobicContact CD-CZ 3.76Å; K1508-F1525 HydrophobicContact CG-CE2 4.16Å; K1508-F1525 HydrophobicContact CG-CZ 4.32Å; F1525-D1527 HydrophobicContact CE1-CB 4.05Å; F1525-D1527 HydrophobicContact CZ-CB 4.34Å; F1525-S1584 WeakPolarHBondContact CD1-O 3.29Å; F1525-S1584 WeakPolarHBondContact CE1-O 3.39Å; F1525-L1586 WeakPolarHBondContact O-CA 3.32Å; F1525-L1586 WeakPolarHBondContact O-CD1 3.34Å; F1525-Y1587 HydrophobicContact CB-CD1 3.93Å; F1525-Y1587 HydrophobicContact CB-CD2 3.89Å; F1525-Y1587 HydrophobicContact CB-CE1 3.49Å; F1525-Y1587 VanDerWaalsContact CB-CE1 3.49Å; F1525-Y1587 HydrophobicContact CB-CE2 3.43Å; F1525-Y1587 VanDerWaalsContact CB-CE2 3.43Å; F1525-Y1587 HydrophobicContact CB-CG 4.1Å; F1525-Y1587 WeakPolarHBondContact CB-OH 3.43Å; F1525-Y1587 AromaticContact CD1-CD1 3.72Å; F1525-Y1587 HydrophobicContact CD1-CD1 3.72Å; F1525-Y1587 AromaticContact CD1-CE1 3.12Å; F1525-Y1587 HydrophobicContact CD1-CE1 3.12Å; F1525-Y1587 AromaticContact CD1-CZ 3.66Å; F1525-Y1587 HydrophobicContact CD2-CE1 4.39Å; F1525-Y1587 AromaticContact CE1-CE1 3.98Å; F1525-Y1587 HydrophobicContact CE1-CE1 3.98Å; F1525-Y1587 HydrophobicContact CG-CD1 4.15Å; F1525-Y1587 AromaticContact CG-CE1 3.39Å; F1525-Y1587 HydrophobicContact CG-CE1 3.39Å; F1525-Y1587 HydrophobicContact CG-CE2 4.15Å; F1525-Y1587 AromaticContact CG-CZ 3.36Å; F1525-Y1587 VanDerWaalsContact CG-OH 3.23Å; F1525-Y1587 WeakPolarHBondContact CG-OH 3.5Å; F1525-Y1587 PolarHBondContact N-O 2.83Å; F1525-Y1587 PolarHBondContact O-N 2.89Å |
| 1526 | V | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 122.7 | 174.6 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | I1427 F1428 S1429 M1443 I1524 Q1530 V1532 L1536 L1586 | I1427-V1526 HydrophobicContact CG2-CB 4.21Å; I1427-V1526 HydrophobicContact CG2-CG2 3.82Å; F1428-V1526 PolarHBondContact O-N 3.39Å; F1428-V1526 VanDerWaalsContact O-N 3.09Å; S1429-V1526 VanDerWaalsContact CB-O 3.29Å; S1429-V1526 WeakPolarHBondContact CB-O 3.33Å; S1429-V1526 PolarHBondContact OG-O 3.39Å; M1443-V1526 HydrophobicContact CE-CB 4.27Å; M1443-V1526 HydrophobicContact CE-CG1 4.24Å; M1443-V1526 HydrophobicContact CG-CG1 3.72Å; M1443-V1526 HydrophobicContact SD-CB 4.06Å; M1443-V1526 HydrophobicContact SD-CG1 3.6Å; I1524-V1526 HydrophobicContact CG2-CG2 4.02Å; V1526-Q1530 HydrophobicContact CG1-CB 3.87Å; V1526-Q1530 HydrophobicContact CG1-CG 4.4Å; V1526-V1532 HydrophobicContact CG1-CG2 4.39Å; V1526-L1536 HydrophobicContact CG2-CD1 4.24Å; V1526-L1586 HydrophobicContact CB-CD1 4.49Å; V1526-L1586 HydrophobicContact CG2-CD1 3.79Å |
| 1527 | D | 93.4 | Very high | 93.4 | Very high | 31 Ų | 31 | 22.9 Ų | 22.9 | 17% | 0.166 | 12% | 0.118 | C | C | . | . | trans | -67 | 151.3 | 178.6 | -138.1 | 2 | 0 | 0 | 0 | 111.8 | K1508 F1525 D1529 Q1530 A1585 | K1508-D1527 IonicContact NZ-OD1 2.89Å; K1508-D1527 PolarHBondContact NZ-OD1 3.06Å; K1508-D1527 IonicContact NZ-OD2 2.97Å; F1525-D1527 HydrophobicContact CE1-CB 4.05Å; F1525-D1527 HydrophobicContact CZ-CB 4.34Å; D1527-D1529 PolarHBondContact O-N 3.11Å; D1527-D1529 VanDerWaalsContact O-N 3.11Å; D1527-Q1530 HydrophobicContact CB-CG 4.34Å; D1527-Q1530 PolarHBondContact O-N 3.11Å; D1527-Q1530 VanDerWaalsContact O-N 3.13Å; D1527-A1585 PolarHBondContact N-O 3.04Å | ||
| 1528 | A | 92.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A1431 Y1436 L1439 L1440 | A1431-A1528 HydrophobicContact CB-CB 4.34Å; Y1436-A1528 HydrophobicContact CD1-CB 4.26Å; L1439-A1528 CarbonylContact C-O 3.56Å; L1439-A1528 WeakPolarHBondContact CB-O 3.5Å; L1440-A1528 HydrophobicContact CB-CB 3.96Å; L1440-A1528 HydrophobicContact CD1-CB 4.08Å; L1440-A1528 PolarHBondContact N-O 3.49Å; L1440-A1528 VanDerWaalsContact N-O 3.15Å |
| 1529 | D | 92.7 | Very high | 93.6 | Very high | 5 Ų | 5 | 25.2 Ų | 25.2 | 3% | 0.027 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 9.5 | -178.2 | 60.3 | -17.3 | 0 | 0 | 0 | 114.2 | L1439 D1527 L1661 K1671 | L1439-D1529 HydrophobicContact CB-CB 4.49Å; L1439-D1529 HydrophobicContact CD1-CB 3.84Å; D1527-D1529 PolarHBondContact O-N 3.11Å; D1527-D1529 VanDerWaalsContact O-N 3.11Å; D1529-L1661 HydrophobicContact CB-CB 4.27Å; D1529-L1661 HydrophobicContact CB-CD1 4.37Å; D1529-L1661 WeakPolarHBondContact O-CD1 3.23Å; D1529-L1661 WeakPolarHBondContact O-CG 3.45Å; D1529-K1671 IonicContact OD2-NZ 2.67Å; D1529-K1671 PolarHBondContact OD2-NZ 2.77Å |
| 1530 | Q | 93.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.009 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 147.8 | 172.3 | -70.3 | -155.8 | -11.9 | 0 | 0 | 113.4 | M1443 V1526 D1527 A1585 I1659 D1660 | M1443-Q1530 VanDerWaalsContact CB-O 3.31Å; M1443-Q1530 WeakPolarHBondContact CB-O 3.41Å; M1443-Q1530 VanDerWaalsContact CG-O 3.31Å; M1443-Q1530 WeakPolarHBondContact CG-O 3.21Å; V1526-Q1530 HydrophobicContact CG1-CB 3.87Å; V1526-Q1530 HydrophobicContact CG1-CG 4.4Å; D1527-Q1530 HydrophobicContact CB-CG 4.34Å; D1527-Q1530 PolarHBondContact O-N 3.11Å; D1527-Q1530 VanDerWaalsContact O-N 3.13Å; Q1530-A1585 PolarHBondContact NE2-O 2.97Å; Q1530-I1659 CarbonylContact C-O 3.59Å; Q1530-I1659 VanDerWaalsContact CA-O 3.27Å; Q1530-I1659 WeakPolarHBondContact CA-O 3.49Å; Q1530-D1660 HydrophobicContact CG-CB 4.42Å |
| 1531 | I | 94.8 | Very high | 93.8 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.015 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 122.1 | 171.2 | -55.5 | 172.7 | 0 | 0 | 0 | 108 | T1446 T1658 I1659 A1679 W1682 | T1446-I1531 HydrophobicContact CG2-CG2 4.01Å; I1531-T1658 CarbonylContact O-C 3.36Å; I1531-T1658 VanDerWaalsContact O-CA 3.26Å; I1531-T1658 WeakPolarHBondContact O-CA 3.47Å; I1531-I1659 HydrophobicContact CB-CB 4.35Å; I1531-I1659 PolarHBondContact N-O 2.76Å; I1531-I1659 PolarHBondContact O-N 3.21Å; I1531-A1679 HydrophobicContact CD1-CB 3.37Å; I1531-W1682 HydrophobicContact CD1-CB 4.41Å; I1531-W1682 HydrophobicContact CD1-CG 4.4Å |
| 1532 | V | 95.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.8 | -176.1 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | T1446 V1447 H1450 V1526 A1534 L1536 T1658 | T1446-V1532 WeakPolarHBondContact CB-O 3.42Å; T1446-V1532 PolarHBondContact OG1-N 3.24Å; T1446-V1532 VanDerWaalsContact OG1-N 3.12Å; V1447-V1532 HydrophobicContact CG2-CB 4Å; V1447-V1532 HydrophobicContact CG2-CG1 4.3Å; V1447-V1532 HydrophobicContact CG2-CG2 3.76Å; H1450-V1532 PolarHBondContact CE1-O 3.12Å; H1450-V1532 PolarHBondContact ND1-O 3.2Å; V1526-V1532 HydrophobicContact CG1-CG2 4.39Å; V1532-A1534 VanDerWaalsContact CG1-O 3.31Å; V1532-A1534 WeakPolarHBondContact CG1-O 3.46Å; V1532-L1536 HydrophobicContact CG1-CD1 4.47Å; V1532-L1536 HydrophobicContact CG1-CD2 4.21Å; V1532-L1536 HydrophobicContact CG1-CG 4.04Å; V1532-T1658 HydrophobicContact CG1-CG2 4.32Å; V1532-T1658 HydrophobicContact CG2-CG2 4.12Å |
| 1533 | R | 94.2 | Very high | 93.7 | Very high | 74 Ų | 74 | 29.2 Ų | 29.2 | 28% | 0.279 | 15% | 0.15 | S | C | . | . | trans | -112.6 | -7.2 | 179.6 | -69.1 | -177.7 | 173.9 | 170.5 | -0.2 | 113.8 | H1450 K1657 I1659 E1681 | H1450-R1533 PolarHBondContact CD2-O 3.15Å; R1533-K1657 PolarHBondContact N-O 2.96Å; R1533-I1659 VanDerWaalsContact CZ-CD1 3.42Å; R1533-E1681 IonicContact CZ-OE1 3.94Å; R1533-E1681 IonicContact NE-OE1 2.69Å; R1533-E1681 PolarHBondContact NE-OE1 3.03Å; R1533-E1681 IonicContact NH2-OE1 3.8Å; R1533-E1681 PolarHBondContact NH2-OE1 3.15Å; R1533-E1681 IonicContact NH2-OE2 3.23Å; R1533-E1681 PolarHBondContact NH2-OE2 3.3Å | ||
| 1534 | A | 93.2 | Very high | 93.6 | Very high | 15 Ų | 15 | 29.4 Ų | 29.4 | 12% | 0.124 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -118.9 | 164.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1532 L1536 W1641 K1657 | V1532-A1534 VanDerWaalsContact CG1-O 3.31Å; V1532-A1534 WeakPolarHBondContact CG1-O 3.46Å; A1534-L1536 PolarHBondContact O-N 2.91Å; A1534-W1641 HydrophobicContact CB-CH2 4.26Å; A1534-W1641 HydrophobicContact CB-CZ3 4.23Å; A1534-K1657 HydrophobicContact CB-CB 3.63Å; A1534-K1657 HydrophobicContact CB-CD 3.96Å; A1534-K1657 HydrophobicContact CB-CG 3.7Å; A1534-K1657 PolarHBondContact N-O 3.04Å |
| 1535 | D | 94.9 | Very high | 93.3 | Very high | 45 Ų | 45 | 34.6 Ų | 34.6 | 24% | 0.241 | 18% | 0.179 | C | C | . | . | trans | -73.2 | 114.6 | 174.3 | -169.3 | -10.3 | 0 | 0 | 0 | 110.1 | H1450 T1451 K1537 E1538 | H1450-D1535 WeakPolarHBondContact O-CA 3.46Å; H1450-D1535 WeakPolarHBondContact O-CB 3.34Å; T1451-D1535 WeakPolarHBondContact CB-OD1 3.37Å; T1451-D1535 PolarHBondContact OG1-OD1 2.91Å; T1451-D1535 PolarHBondContact OG1-OD2 2.89Å; D1535-K1537 PolarHBondContact O-N 2.83Å; D1535-K1537 VanDerWaalsContact O-N 3.09Å; D1535-K1537 VanDerWaalsContact OD1-CB 3.28Å; D1535-K1537 WeakPolarHBondContact OD1-CB 3.44Å; D1535-K1537 PolarHBondContact OD1-N 2.95Å; D1535-E1538 WeakPolarHBondContact O-CB 3.44Å; D1535-E1538 PolarHBondContact O-N 3.33Å; D1535-E1538 VanDerWaalsContact O-N 3.15Å | ||
| 1536 | L | 94 | Very high | 92.9 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -11.3 | 177.4 | -73.4 | 180 | 0 | 0 | 0 | 113.3 | I1425 I1427 V1447 I1524 V1526 V1532 A1534 E1538 L1539 A1540 W1641 | I1425-L1536 HydrophobicContact CG2-CB 4.35Å; I1427-L1536 HydrophobicContact CD1-CD1 3.48Å; I1427-L1536 VanDerWaalsContact CD1-CD1 3.48Å; I1427-L1536 HydrophobicContact CG1-CD1 4.22Å; V1447-L1536 HydrophobicContact CB-CD1 4.42Å; V1447-L1536 HydrophobicContact CG1-CD1 3.9Å; V1447-L1536 HydrophobicContact CG2-CD1 3.64Å; I1524-L1536 HydrophobicContact CD1-CB 4.39Å; V1526-L1536 HydrophobicContact CG2-CD1 4.24Å; V1532-L1536 HydrophobicContact CG1-CD1 4.47Å; V1532-L1536 HydrophobicContact CG1-CD2 4.21Å; V1532-L1536 HydrophobicContact CG1-CG 4.04Å; A1534-L1536 PolarHBondContact O-N 2.91Å; L1536-E1538 PolarHBondContact O-N 1.99Å; L1536-L1539 HydrophobicContact CD2-CD1 3.88Å; L1536-L1539 WeakPolarHBondContact O-CB 3.46Å; L1536-L1539 PolarHBondContact O-N 3.03Å; L1536-A1540 PolarHBondContact O-N 2.86Å; L1536-W1641 HydrophobicContact CD2-CZ3 3.94Å |
| 1537 | K | 93.1 | Very high | 92.8 | Very high | 44 Ų | 44 | 36.6 Ų | 36.6 | 19% | 0.191 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.2 | -34.1 | 171.2 | -166 | 62.1 | 166.6 | 73.7 | 0 | 111.8 | I1425 D1535 L1539 A1540 D1541 | I1425-K1537 HydrophobicContact CD1-CB 3.93Å; I1425-K1537 HydrophobicContact CD1-CD 4.15Å; I1425-K1537 HydrophobicContact CG1-CD 3.89Å; D1535-K1537 PolarHBondContact O-N 2.83Å; D1535-K1537 VanDerWaalsContact O-N 3.09Å; D1535-K1537 VanDerWaalsContact OD1-CB 3.28Å; D1535-K1537 WeakPolarHBondContact OD1-CB 3.44Å; D1535-K1537 PolarHBondContact OD1-N 2.95Å; K1537-L1539 VanDerWaalsContact C-N 3.27Å; K1537-L1539 PolarHBondContact O-N 3.19Å; K1537-A1540 HydrophobicContact CD-CB 4.39Å; K1537-A1540 PolarHBondContact O-N 3.23Å; K1537-A1540 VanDerWaalsContact O-N 3.16Å; K1537-D1541 IonicContact NZ-OD1 2.72Å; K1537-D1541 PolarHBondContact NZ-OD1 3.4Å; K1537-D1541 IonicContact NZ-OD2 2.73Å; K1537-D1541 PolarHBondContact NZ-OD2 3.47Å; K1537-D1541 WeakPolarHBondContact O-CB 3.3Å; K1537-D1541 PolarHBondContact O-N 3.36Å |
| 1538 | E | 93.8 | Very high | 92.8 | Very high | 98 Ų | 98 | 35.1 Ų | 35.1 | 46% | 0.458 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.1 | -39.7 | 175.6 | -68.1 | -177.3 | -153.6 | 0 | 0 | 112.3 | D1535 L1536 L1542 W1641 K1657 | D1535-E1538 WeakPolarHBondContact O-CB 3.44Å; D1535-E1538 PolarHBondContact O-N 3.33Å; D1535-E1538 VanDerWaalsContact O-N 3.15Å; L1536-E1538 PolarHBondContact O-N 1.99Å; E1538-L1542 PolarHBondContact O-N 3.18Å; E1538-L1542 VanDerWaalsContact O-N 3.14Å; E1538-W1641 HydrophobicContact CB-CH2 4.03Å; E1538-W1641 HydrophobicContact CB-CZ2 3.71Å; E1538-K1657 IonicContact OE2-NZ 3.96Å; E1538-K1657 PolarHBondContact OE2-NZ 3.33Å |
| 1539 | L | 91.6 | Very high | 93 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74.3 | -38.3 | 175.5 | -98.2 | 161.2 | 0 | 0 | 0 | 112.2 | I1524 L1536 K1537 D1541 L1542 L1586 V1588 L1637 W1641 | I1524-L1539 HydrophobicContact CD1-CB 3.88Å; L1536-L1539 HydrophobicContact CD2-CD1 3.88Å; L1536-L1539 WeakPolarHBondContact O-CB 3.46Å; L1536-L1539 PolarHBondContact O-N 3.03Å; K1537-L1539 VanDerWaalsContact C-N 3.27Å; K1537-L1539 PolarHBondContact O-N 3.19Å; L1539-D1541 VanDerWaalsContact C-N 3.26Å; L1539-D1541 PolarHBondContact O-N 3.33Å; L1539-L1542 HydrophobicContact CD2-CD2 4.44Å; L1539-L1542 WeakPolarHBondContact O-CB 3.23Å; L1539-L1542 PolarHBondContact O-N 3.23Å; L1539-L1586 HydrophobicContact CD1-CD1 4.46Å; L1539-L1586 HydrophobicContact CD1-CD2 3.97Å; L1539-V1588 HydrophobicContact CD2-CB 4.32Å; L1539-V1588 HydrophobicContact CD2-CG1 4.15Å; L1539-L1637 HydrophobicContact CD2-CD1 3.83Å; L1539-L1637 HydrophobicContact CD2-CD2 3.96Å; L1539-W1641 HydrophobicContact CB-CH2 4.38Å; L1539-W1641 HydrophobicContact CB-CZ2 4.42Å; L1539-W1641 HydrophobicContact CD1-CD2 3.55Å; L1539-W1641 HydrophobicContact CD1-CE3 3.26Å; L1539-W1641 HydrophobicContact CD1-CG 4.34Å; L1539-W1641 HydrophobicContact CD1-CH2 3.71Å; L1539-W1641 HydrophobicContact CD1-CZ2 3.97Å; L1539-W1641 HydrophobicContact CD1-CZ3 3.36Å; L1539-W1641 HydrophobicContact CG-CD2 3.92Å; L1539-W1641 HydrophobicContact CG-CE3 4.06Å; L1539-W1641 HydrophobicContact CG-CH2 3.89Å; L1539-W1641 HydrophobicContact CG-CZ2 3.73Å; L1539-W1641 HydrophobicContact CG-CZ3 4.07Å |
| 1540 | A | 90.5 | Very high | 93.2 | Very high | 20 Ų | 20 | 35 Ų | 35 | 17% | 0.165 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63 | -35.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1522 I1524 L1536 K1537 | K1522-A1540 WeakPolarHBondContact CD-O 3.22Å; K1522-A1540 WeakPolarHBondContact CE-O 3.47Å; K1522-A1540 PolarHBondContact NZ-O 3.03Å; I1524-A1540 HydrophobicContact CD1-CB 4.15Å; L1536-A1540 PolarHBondContact O-N 2.86Å; K1537-A1540 HydrophobicContact CD-CB 4.39Å; K1537-A1540 PolarHBondContact O-N 3.23Å; K1537-A1540 VanDerWaalsContact O-N 3.16Å |
| 1541 | D | 91.6 | Very high | 93.3 | Very high | 104 Ų | 104 | 35 Ų | 35 | 56% | 0.556 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -89.7 | -10.2 | -179.9 | -67.4 | -15.2 | 0 | 0 | 0 | 113.6 | K1537 L1539 D1543 | K1537-D1541 IonicContact NZ-OD1 2.72Å; K1537-D1541 PolarHBondContact NZ-OD1 3.4Å; K1537-D1541 IonicContact NZ-OD2 2.73Å; K1537-D1541 PolarHBondContact NZ-OD2 3.47Å; K1537-D1541 WeakPolarHBondContact O-CB 3.3Å; K1537-D1541 PolarHBondContact O-N 3.36Å; L1539-D1541 VanDerWaalsContact C-N 3.26Å; L1539-D1541 PolarHBondContact O-N 3.33Å; D1541-D1543 PolarHBondContact O-N 3.45Å |
| 1542 | L | 91.3 | Very high | 93.3 | Very high | 51 Ų | 51 | 34.8 Ų | 34.8 | 27% | 0.267 | 19% | 0.189 | S | C | . | . | trans | -59.5 | 129.7 | 179.6 | -167.9 | 71.8 | 0 | 0 | 0 | 110.9 | K1522 E1538 L1539 L1544 L1637 | K1522-L1542 PolarHBondContact NZ-O 3.44Å; E1538-L1542 PolarHBondContact O-N 3.18Å; E1538-L1542 VanDerWaalsContact O-N 3.14Å; L1539-L1542 HydrophobicContact CD2-CD2 4.44Å; L1539-L1542 WeakPolarHBondContact O-CB 3.23Å; L1539-L1542 PolarHBondContact O-N 3.23Å; L1542-L1544 HydrophobicContact CD2-CD2 4.38Å; L1542-L1637 HydrophobicContact CD2-CD2 3.31Å | ||
| 1543 | D | 92.8 | Very high | 93.2 | Very high | 112 Ų | 112 | 35.6 Ų | 35.6 | 60% | 0.599 | 19% | 0.194 | S | C | * | . | trans | -74.6 | 130.6 | 169.1 | -167.7 | -5.5 | 0 | 0 | 0 | 109.7 | D1541 D1545 | D1541-D1543 PolarHBondContact O-N 3.45Å; D1543-D1545 VanDerWaalsContact C-N 3.35Å; D1543-D1545 PolarHBondContact OD1-N 2.88Å | ||
| 1544 | L | 93.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | trans | -95.4 | 10.9 | -179.2 | -57.2 | -177.9 | 0 | 0 | 0 | 112.5 | L1542 G1546 A1547 V1588 D1590 K1635 | L1542-L1544 HydrophobicContact CD2-CD2 4.38Å; L1544-G1546 PolarHBondContact O-N 3.46Å; L1544-A1547 HydrophobicContact CB-CB 4.47Å; L1544-A1547 WeakPolarHBondContact CB-O 3.33Å; L1544-A1547 WeakPolarHBondContact O-CB 3Å; L1544-A1547 PolarHBondContact O-N 3.27Å; L1544-V1588 HydrophobicContact CD1-CG1 4.13Å; L1544-V1588 HydrophobicContact CD2-CG1 3.58Å; L1544-V1588 HydrophobicContact CG-CG1 4.46Å; L1544-D1590 HydrophobicContact CD1-CB 4.1Å; L1544-K1635 HydrophobicContact CB-CB 4.42Å; L1544-K1635 HydrophobicContact CD2-CB 4.29Å; L1544-K1635 HydrophobicContact CD2-CG 4.23Å | ||
| 1545 | D | 89.8 | Confident | 93 | Very high | 112 Ų | 112 | 32.5 Ų | 32.5 | 60% | 0.599 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 39.3 | -179.6 | -59.7 | -32.1 | 0 | 0 | 0 | 112.3 | D1543 A1547 K1635 | D1543-D1545 VanDerWaalsContact C-N 3.35Å; D1543-D1545 PolarHBondContact OD1-N 2.88Å; D1545-A1547 VanDerWaalsContact C-N 3.26Å; D1545-A1547 PolarHBondContact O-N 3.47Å; D1545-K1635 IonicContact OD2-NZ 3.13Å; D1545-K1635 PolarHBondContact OD2-NZ 2.94Å |
| 1546 | G | 87.4 | Confident | 92.7 | Very high | 36 Ų | 36 | 34 Ų | 34 | 37% | 0.371 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 0.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L1544 R1593 | L1544-G1546 PolarHBondContact O-N 3.46Å; G1546-R1593 PolarHBondContact O-NE 2.93Å |
| 1547 | A | 94 | Very high | 92.5 | Very high | 7 Ų | 7 | 36.7 Ų | 36.7 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | trans | -72.3 | 142.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1544 D1545 Y1549 P1633 K1635 | L1544-A1547 HydrophobicContact CB-CB 4.47Å; L1544-A1547 WeakPolarHBondContact CB-O 3.33Å; L1544-A1547 WeakPolarHBondContact O-CB 3Å; L1544-A1547 PolarHBondContact O-N 3.27Å; D1545-A1547 VanDerWaalsContact C-N 3.26Å; D1545-A1547 PolarHBondContact O-N 3.47Å; A1547-Y1549 VanDerWaalsContact C-N 3.28Å; A1547-Y1549 PolarHBondContact O-N 3.42Å; A1547-P1633 HydrophobicContact CB-CB 4.39Å; A1547-P1633 HydrophobicContact CB-CG 4.35Å; A1547-K1635 HydrophobicContact CB-CB 4.14Å | ||
| 1548 | P | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -71.8 | -21.9 | -179.5 | 28.9 | -34.6 | 0 | 0 | 0 | 113.5 | D1590 R1593 F1594 L1597 A1599 V1632 P1633 | P1548-D1590 PolarHBondContact O-N 3.48Å; P1548-R1593 HydrophobicContact CB-CG 4.48Å; P1548-F1594 HydrophobicContact CB-CB 4.07Å; P1548-F1594 HydrophobicContact CB-CD2 4Å; P1548-F1594 HydrophobicContact CB-CG 4.44Å; P1548-L1597 HydrophobicContact CB-CD1 4.18Å; P1548-L1597 HydrophobicContact CG-CD1 4.07Å; P1548-A1599 HydrophobicContact CB-CB 4.39Å; P1548-A1599 HydrophobicContact CG-CB 4.36Å; P1548-V1632 HydrophobicContact CG-CG1 3.64Å; P1548-P1633 WeakPolarHBondContact CD-O 3.25Å |
| 1549 | Y | 96.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 155.1 | 176.6 | 49.7 | -104.1 | 0 | 0 | 0 | 112.1 | A1547 Y1551 V1588 F1594 L1603 P1625 V1632 I1634 K1635 | A1547-Y1549 VanDerWaalsContact C-N 3.28Å; A1547-Y1549 PolarHBondContact O-N 3.42Å; Y1549-Y1551 AromaticContact CD2-CD2 3.52Å; Y1549-Y1551 HydrophobicContact CD2-CD2 3.52Å; Y1549-Y1551 AromaticContact CD2-CE2 3.3Å; Y1549-Y1551 HydrophobicContact CD2-CE2 3.3Å; Y1549-Y1551 HydrophobicContact CE2-CD2 4.07Å; Y1549-Y1551 AromaticContact CE2-CE2 3.73Å; Y1549-Y1551 HydrophobicContact CE2-CE2 3.73Å; Y1549-Y1551 HydrophobicContact CG-CD2 4.41Å; Y1549-Y1551 AromaticContact CG-CE2 3.96Å; Y1549-Y1551 HydrophobicContact CG-CE2 3.96Å; Y1549-V1588 CarbonylContact C-O 3.58Å; Y1549-V1588 WeakPolarHBondContact CA-O 3.27Å; Y1549-V1588 VanDerWaalsContact CB-O 3.24Å; Y1549-V1588 WeakPolarHBondContact CB-O 3.36Å; Y1549-F1594 AromaticContact CD1-CD2 3.84Å; Y1549-F1594 HydrophobicContact CD1-CD2 3.84Å; Y1549-F1594 AromaticContact CD1-CE2 3.8Å; Y1549-F1594 HydrophobicContact CD1-CE2 3.8Å; Y1549-F1594 HydrophobicContact CE1-CD2 4.32Å; Y1549-F1594 AromaticContact CE1-CE2 3.93Å; Y1549-F1594 HydrophobicContact CE1-CE2 3.93Å; Y1549-L1603 HydrophobicContact CE1-CD1 4.49Å; Y1549-P1625 HydrophobicContact CE2-CB 4.18Å; Y1549-V1632 HydrophobicContact CE1-CG1 3.49Å; Y1549-V1632 VanDerWaalsContact CE1-CG1 3.49Å; Y1549-V1632 WeakPolarHBondContact OH-CG1 3.33Å; Y1549-I1634 HydrophobicContact CD2-CG1 4.25Å; Y1549-I1634 HydrophobicContact CD2-CG2 4.33Å; Y1549-I1634 HydrophobicContact CE2-CB 4.36Å; Y1549-I1634 HydrophobicContact CE2-CD1 3.86Å; Y1549-I1634 HydrophobicContact CE2-CG1 3.55Å; Y1549-I1634 HydrophobicContact CE2-CG2 4.39Å; Y1549-K1635 PolarHBondContact O-N 2.88Å; Y1549-K1635 VanDerWaalsContact O-N 3.09Å |
| 1550 | G | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1587 V1588 K1635 L1637 | G1550-Y1587 CarbonylContact O-C 3.57Å; G1550-Y1587 WeakPolarHBondContact O-CA 3.35Å; G1550-Y1587 WeakPolarHBondContact O-CB 3.38Å; G1550-V1588 PolarHBondContact N-O 2.71Å; G1550-V1588 PolarHBondContact O-N 3.05Å; G1550-K1635 CarbonylContact C-O 3.58Å; G1550-K1635 WeakPolarHBondContact CA-O 3.31Å; G1550-L1637 WeakPolarHBondContact O-CD1 3.44Å |
| 1551 | Y | 96.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 153 | -179.3 | -80.3 | -121 | 0 | 0 | 0 | 110.7 | Y1549 H1582 I1583 Y1587 I1634 K1635 S1636 L1637 | Y1549-Y1551 AromaticContact CD2-CD2 3.52Å; Y1549-Y1551 HydrophobicContact CD2-CD2 3.52Å; Y1549-Y1551 AromaticContact CD2-CE2 3.3Å; Y1549-Y1551 HydrophobicContact CD2-CE2 3.3Å; Y1549-Y1551 HydrophobicContact CE2-CD2 4.07Å; Y1549-Y1551 AromaticContact CE2-CE2 3.73Å; Y1549-Y1551 HydrophobicContact CE2-CE2 3.73Å; Y1549-Y1551 HydrophobicContact CG-CD2 4.41Å; Y1549-Y1551 AromaticContact CG-CE2 3.96Å; Y1549-Y1551 HydrophobicContact CG-CE2 3.96Å; Y1551-H1582 HydrophobicContact CD1-CB 4.21Å; Y1551-H1582 HydrophobicContact CG-CB 4.24Å; Y1551-H1582 PolarHBondContact O-CD2 3.18Å; Y1551-I1583 VanDerWaalsContact CD1-O 3.26Å; Y1551-I1583 WeakPolarHBondContact CD1-O 3.49Å; Y1551-Y1587 HydrophobicContact CD1-CD1 4.34Å; Y1551-Y1587 HydrophobicContact CD1-CG 4.38Å; Y1551-Y1587 HydrophobicContact CD2-CG 4.23Å; Y1551-Y1587 AromaticContact CE1-CD1 3.72Å; Y1551-Y1587 HydrophobicContact CE1-CD1 3.72Å; Y1551-Y1587 HydrophobicContact CE1-CE1 4.41Å; Y1551-Y1587 AromaticContact CE1-CG 3.92Å; Y1551-Y1587 HydrophobicContact CE1-CG 3.92Å; Y1551-Y1587 HydrophobicContact CE2-CD1 4.37Å; Y1551-Y1587 AromaticContact CE2-CD2 4Å; Y1551-Y1587 HydrophobicContact CE2-CD2 4Å; Y1551-Y1587 AromaticContact CE2-CG 3.74Å; Y1551-Y1587 HydrophobicContact CE2-CG 3.74Å; Y1551-Y1587 AromaticContact CZ-CD1 3.73Å; Y1551-Y1587 AromaticContact CZ-CD2 3.97Å; Y1551-Y1587 AromaticContact CZ-CG 3.56Å; Y1551-I1634 HydrophobicContact CD2-CG2 4.1Å; Y1551-I1634 HydrophobicContact CG-CG2 4.31Å; Y1551-K1635 PolarHBondContact N-O 2.8Å; Y1551-S1636 WeakPolarHBondContact O-CA 3.29Å; Y1551-L1637 PolarHBondContact O-N 3.42Å |
| 1552 | T | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 133 | 170.1 | 45.1 | 0 | 0 | 0 | 0 | 111.4 | I1583 L1586 L1637 W1641 L1642 | T1552-I1583 VanDerWaalsContact O-CG2 3.32Å; T1552-I1583 WeakPolarHBondContact O-CG2 3.4Å; T1552-I1583 PolarHBondContact O-N 3.42Å; T1552-I1583 WeakPolarHBondContact OG1-CG2 3.27Å; T1552-L1586 HydrophobicContact CG2-CD2 4.41Å; T1552-L1637 HydrophobicContact CG2-CB 3.75Å; T1552-L1637 HydrophobicContact CG2-CD1 4Å; T1552-L1637 HydrophobicContact CG2-CG 4.49Å; T1552-W1641 HydrophobicContact CG2-CB 3.71Å; T1552-L1642 HydrophobicContact CG2-CB 3.91Å |
| 1553 | P | 94.1 | Very high | 91.3 | Very high | 18 Ų | 18 | 46 Ų | 46 | 12% | 0.117 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 156.5 | 172.8 | 31.2 | -34.2 | 0 | 0 | 0 | 111.9 | P1580 L1637 Q1639 | P1553-P1580 HydrophobicContact CB-CB 3.79Å; P1553-P1580 HydrophobicContact CB-CG 4.34Å; P1553-L1637 VanDerWaalsContact CD-O 3.26Å; P1553-L1637 WeakPolarHBondContact CD-O 3.44Å; P1553-Q1639 PolarHBondContact O-NE2 3.39Å |
| 1554 | F | 91.4 | Very high | 91.1 | Very high | 16 Ų | 16 | 45.1 Ų | 45.1 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -60 | 145.4 | 170.7 | -97.4 | -83.5 | 0 | 0 | 0 | 112 | W1567 Y1581 I1583 W1647 | F1554-W1567 HydrophobicContact CB-CH2 4.09Å; F1554-W1567 HydrophobicContact CB-CZ2 3.56Å; F1554-W1567 AromaticContact CD1-CH2 3.46Å; F1554-W1567 HydrophobicContact CD1-CH2 3.46Å; F1554-W1567 VanDerWaalsContact CD1-CH2 3.46Å; F1554-W1567 AromaticContact CD1-CZ2 3.86Å; F1554-W1567 HydrophobicContact CD1-CZ2 3.86Å; F1554-W1567 HydrophobicContact CD1-CZ3 4.14Å; F1554-W1567 HydrophobicContact CD2-CH2 4.24Å; F1554-W1567 HydrophobicContact CD2-CZ2 4.33Å; F1554-W1567 HydrophobicContact CD2-CZ3 4.38Å; F1554-W1567 AromaticContact CE1-CH2 3.87Å; F1554-W1567 HydrophobicContact CE1-CH2 3.87Å; F1554-W1567 HydrophobicContact CE1-CZ3 4.16Å; F1554-W1567 HydrophobicContact CE2-CZ3 4.39Å; F1554-W1567 AromaticContact CG-CH2 3.66Å; F1554-W1567 HydrophobicContact CG-CH2 3.66Å; F1554-W1567 AromaticContact CG-CZ2 3.66Å; F1554-W1567 HydrophobicContact CG-CZ2 3.66Å; F1554-W1567 HydrophobicContact CG-CZ3 4.24Å; F1554-W1567 HydrophobicContact CZ-CH2 4.41Å; F1554-W1567 HydrophobicContact CZ-CZ3 4.28Å; F1554-Y1581 AromaticContact CD2-CD1 3.69Å; F1554-Y1581 HydrophobicContact CD2-CD1 3.69Å; F1554-Y1581 HydrophobicContact CD2-CE1 4.41Å; F1554-Y1581 AromaticContact CE2-CD1 3.77Å; F1554-Y1581 HydrophobicContact CE2-CD1 3.77Å; F1554-Y1581 HydrophobicContact CE2-CE1 4.04Å; F1554-Y1581 PolarHBondContact N-O 2.98Å; F1554-I1583 HydrophobicContact CD2-CB 4.2Å; F1554-I1583 HydrophobicContact CE1-CD1 4.06Å; F1554-I1583 HydrophobicContact CE2-CB 3.88Å; F1554-I1583 HydrophobicContact CE2-CD1 4.3Å; F1554-I1583 HydrophobicContact CE2-CG1 4.27Å; F1554-I1583 HydrophobicContact CZ-CB 4.26Å; F1554-I1583 HydrophobicContact CZ-CD1 3.79Å; F1554-I1583 HydrophobicContact CZ-CG1 4.21Å; F1554-W1647 AromaticContact CD1-CD2 3.83Å; F1554-W1647 HydrophobicContact CD1-CD2 3.83Å; F1554-W1647 AromaticContact CD1-CE3 3.96Å; F1554-W1647 HydrophobicContact CD1-CE3 3.96Å; F1554-W1647 HydrophobicContact CD1-CG 4.12Å; F1554-W1647 AromaticContact CE1-CD2 3.61Å; F1554-W1647 HydrophobicContact CE1-CD2 3.61Å; F1554-W1647 AromaticContact CE1-CE2 3.65Å; F1554-W1647 AromaticContact CE1-CE3 3.58Å; F1554-W1647 HydrophobicContact CE1-CE3 3.58Å; F1554-W1647 HydrophobicContact CE1-CG 4.34Å; F1554-W1647 AromaticContact CE1-CH2 3.85Å; F1554-W1647 HydrophobicContact CE1-CH2 3.85Å; F1554-W1647 AromaticContact CE1-CZ2 3.8Å; F1554-W1647 HydrophobicContact CE1-CZ2 3.8Å; F1554-W1647 AromaticContact CE1-CZ3 3.72Å; F1554-W1647 HydrophobicContact CE1-CZ3 3.72Å; F1554-W1647 HydrophobicContact CZ-CH2 4.46Å |
| 1555 | C | 90.7 | Very high | 90.9 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 128.1 | -179.1 | -147.5 | 0 | 0 | 0 | 0 | 111.8 | R1565 W1647 C1648 | C1555-R1565 PolarHBondContact O-NH2 2.99Å; C1555-R1565 VanDerWaalsContact O-NH2 3.12Å; C1555-W1647 HydrophobicContact CB-CB 3.85Å; C1555-C1648 HydrophobicContact CB-CB 4.04Å; C1555-C1648 WeakPolarHBondContact CB-SG 3.48Å; C1555-C1648 WeakPolarHBondContact SG-CA 3.45Å; C1555-C1648 WeakPolarHBondContact SG-CB 3.5Å; C1555-C1648 CovalentContact SG-SG 2.04Å; C1555-C1648 PolarHBondContact SG-SG 2.81Å |
| 1556 | D | 88.4 | Confident | 90.9 | Very high | 78 Ų | 78 | 43.7 Ų | 43.7 | 42% | 0.417 | 24% | 0.24 | S | C | . | . | trans | -101.1 | -5.7 | -173.9 | -81.2 | 9.3 | 0 | 0 | 0 | 114 | R1565 K1568 | D1556-R1565 VanDerWaalsContact CA-NH2 3.27Å; D1556-R1565 PolarHBondContact O-NH1 3.03Å; D1556-R1565 PolarHBondContact O-NH2 3.16Å; D1556-K1568 VanDerWaalsContact CG-NZ 3.34Å; D1556-K1568 IonicContact OD1-NZ 3.47Å; D1556-K1568 WeakPolarHBondContact OD2-CE 3.44Å; D1556-K1568 IonicContact OD2-NZ 3.52Å; D1556-K1568 PolarHBondContact OD2-NZ 3.46Å | ||
| 1557 | S | 90.7 | Very high | 91 | Very high | 56 Ų | 56 | 42.8 Ų | 42.8 | 39% | 0.392 | 23% | 0.225 | S | C | . | . | trans | -73.6 | -32.5 | -167.1 | 61.9 | 0 | 0 | 0 | 0 | 114.7 | K1559 C1648 S1649 | S1557-K1559 PolarHBondContact O-N 2.82Å; S1557-C1648 WeakPolarHBondContact OG-CA 3.17Å; S1557-S1649 PolarHBondContact OG-N 3.5Å; S1557-S1649 PolarHBondContact OG-OG 2.96Å | ||
| 1558 | R | 90.4 | Very high | 90.8 | Very high | 55 Ų | 55 | 47.3 Ų | 47.3 | 21% | 0.208 | 24% | 0.244 | C | C | . | . | trans | -84.2 | 93.5 | 179.7 | -165.6 | 175.5 | -66.7 | -126.9 | 0.3 | 111.9 | E1560 M1561 R1565 E1645 W1647 C1648 D1650 | R1558-E1560 VanDerWaalsContact C-N 3.27Å; R1558-E1560 PolarHBondContact O-N 2.88Å; R1558-M1561 HydrophobicContact CG-CG 4.31Å; R1558-M1561 PolarHBondContact O-N 3.11Å; R1558-R1565 PolarHBondContact O-NH2 3.01Å; R1558-E1645 PolarHBondContact NE-O 3.43Å; R1558-E1645 PolarHBondContact NH2-O 3.37Å; R1558-E1645 VanDerWaalsContact NH2-O 3.11Å; R1558-W1647 VanDerWaalsContact CB-O 3.23Å; R1558-W1647 WeakPolarHBondContact CB-O 3.4Å; R1558-W1647 PolarHBondContact N-O 2.96Å; R1558-W1647 VanDerWaalsContact N-O 3.12Å; R1558-C1648 PolarHBondContact NE-O 2.85Å; R1558-C1648 PolarHBondContact NH2-O 2.98Å; R1558-D1650 IonicContact CZ-OD1 3.99Å; R1558-D1650 IonicContact NH2-OD1 2.79Å; R1558-D1650 PolarHBondContact NH2-OD1 3.38Å; R1558-D1650 IonicContact NH2-OD2 3.97Å | ||
| 1559 | K | 88.9 | Confident | 90.5 | Very high | 166 Ų | 166 | 53.3 Ų | 53.3 | 72% | 0.722 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -63.1 | -26.6 | -176.2 | -62.7 | -159.5 | 178 | -171.4 | 0 | 114.9 | S1557 M1561 D1562 | S1557-K1559 PolarHBondContact O-N 2.82Å; K1559-M1561 PolarHBondContact O-N 3.1Å; K1559-D1562 WeakPolarHBondContact O-CB 3.39Å; K1559-D1562 PolarHBondContact O-N 3.46Å; K1559-D1562 VanDerWaalsContact O-N 3.11Å |
| 1560 | E | 88.1 | Confident | 90.1 | Very high | 138 Ų | 138 | 55.7 Ų | 55.7 | 65% | 0.645 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -61.5 | -16.8 | -180 | -62.5 | 177.7 | -174.4 | 0 | 0 | 114.1 | R1558 R1666 | R1558-E1560 VanDerWaalsContact C-N 3.27Å; R1558-E1560 PolarHBondContact O-N 2.88Å; E1560-R1666 PolarHBondContact O-NH1 3.19Å; E1560-R1666 PolarHBondContact O-NH2 3.19Å |
| 1561 | M | 87.5 | Confident | 89.9 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -104.4 | 6.6 | -177.1 | -59.2 | -62 | -72.7 | 0 | 0 | 113 | R1558 K1559 G1563 F1564 T1646 P1665 | R1558-M1561 HydrophobicContact CG-CG 4.31Å; R1558-M1561 PolarHBondContact O-N 3.11Å; K1559-M1561 PolarHBondContact O-N 3.1Å; M1561-G1563 PolarHBondContact O-N 2.82Å; M1561-G1563 VanDerWaalsContact O-N 3.15Å; M1561-F1564 HydrophobicContact CE-CD2 3.86Å; M1561-F1564 HydrophobicContact CE-CE2 4.3Å; M1561-F1564 PolarHBondContact O-N 2.81Å; M1561-F1564 HydrophobicContact SD-CD2 4.27Å; M1561-T1646 HydrophobicContact CE-CG2 3.6Å; M1561-T1646 VanDerWaalsContact CG-O 3.29Å; M1561-T1646 WeakPolarHBondContact CG-O 3.5Å; M1561-P1665 HydrophobicContact CE-CG 3.53Å |
| 1562 | D | 86 | Confident | 89.8 | Confident | 77 Ų | 77 | 63.7 Ų | 63.7 | 41% | 0.412 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -52.5 | -37.4 | 179.6 | -88.3 | -36.5 | 0 | 0 | 0 | 112.9 | K1559 F1564 R1565 | K1559-D1562 WeakPolarHBondContact O-CB 3.39Å; K1559-D1562 PolarHBondContact O-N 3.46Å; K1559-D1562 VanDerWaalsContact O-N 3.11Å; D1562-F1564 PolarHBondContact O-N 3.03Å; D1562-R1565 WeakPolarHBondContact O-CB 3.45Å; D1562-R1565 PolarHBondContact O-N 3.49Å; D1562-R1565 VanDerWaalsContact O-N 3.11Å; D1562-R1565 IonicContact OD1-CZ 3.45Å; D1562-R1565 IonicContact OD1-NE 3.73Å; D1562-R1565 IonicContact OD1-NH1 2.62Å; D1562-R1565 PolarHBondContact OD1-NH1 3.3Å |
| 1563 | G | 86 | Confident | 89.6 | Confident | 72 Ų | 72 | 65.3 Ų | 65.3 | 74% | 0.742 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -64.7 | -18.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | M1561 | M1561-G1563 PolarHBondContact O-N 2.82Å; M1561-G1563 VanDerWaalsContact O-N 3.15Å |
| 1564 | F | 88.3 | Confident | 89.6 | Confident | 94 Ų | 94 | 71 Ų | 71 | 41% | 0.412 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -97.4 | -1.8 | 176.9 | -63.8 | -81 | 0 | 0 | 0 | 113 | M1561 D1562 F1566 P1665 R1666 | M1561-F1564 HydrophobicContact CE-CD2 3.86Å; M1561-F1564 HydrophobicContact CE-CE2 4.3Å; M1561-F1564 PolarHBondContact O-N 2.81Å; M1561-F1564 HydrophobicContact SD-CD2 4.27Å; D1562-F1564 PolarHBondContact O-N 3.03Å; F1564-F1566 VanDerWaalsContact C-N 3.28Å; F1564-F1566 PolarHBondContact O-N 3.34Å; F1564-P1665 HydrophobicContact CB-CG 4.47Å; F1564-P1665 HydrophobicContact CD1-CB 3.97Å; F1564-P1665 HydrophobicContact CD1-CG 3.95Å; F1564-P1665 HydrophobicContact CD2-CG 4.17Å; F1564-P1665 HydrophobicContact CE1-CB 3.91Å; F1564-P1665 HydrophobicContact CE1-CG 4.19Å; F1564-P1665 HydrophobicContact CE2-CG 4.39Å; F1564-P1665 HydrophobicContact CG-CB 4.47Å; F1564-P1665 HydrophobicContact CG-CG 3.94Å; F1564-P1665 HydrophobicContact CZ-CB 4.36Å; F1564-P1665 HydrophobicContact CZ-CG 4.4Å; F1564-R1666 HydrophobicContact CE2-CG 4.1Å; F1564-R1666 HydrophobicContact CZ-CG 4.31Å |
| 1565 | R | 89 | Confident | 89.7 | Confident | 6 Ų | 6 | 72.6 Ų | 72.6 | 2% | 0.023 | 38% | 0.378 | C | S | . | . | trans | -80.7 | 72.4 | -179 | -63.1 | -175.2 | 173.5 | 153.9 | -3.8 | 111.1 | C1555 D1556 R1558 D1562 W1567 K1568 | C1555-R1565 PolarHBondContact O-NH2 2.99Å; C1555-R1565 VanDerWaalsContact O-NH2 3.12Å; D1556-R1565 VanDerWaalsContact CA-NH2 3.27Å; D1556-R1565 PolarHBondContact O-NH1 3.03Å; D1556-R1565 PolarHBondContact O-NH2 3.16Å; R1558-R1565 PolarHBondContact O-NH2 3.01Å; D1562-R1565 WeakPolarHBondContact O-CB 3.45Å; D1562-R1565 PolarHBondContact O-N 3.49Å; D1562-R1565 VanDerWaalsContact O-N 3.11Å; D1562-R1565 IonicContact OD1-CZ 3.45Å; D1562-R1565 IonicContact OD1-NE 3.73Å; D1562-R1565 IonicContact OD1-NH1 2.62Å; D1562-R1565 PolarHBondContact OD1-NH1 3.3Å; R1565-W1567 HydrophobicContact CB-CD2 4.36Å; R1565-W1567 HydrophobicContact CB-CH2 4.16Å; R1565-W1567 HydrophobicContact CB-CZ2 3.94Å; R1565-W1567 HydrophobicContact CB-CZ3 4.46Å; R1565-W1567 HydrophobicContact CG-CH2 3.85Å; R1565-W1567 HydrophobicContact CG-CZ2 3.67Å; R1565-W1567 PolarHBondContact O-N 3.35Å; R1565-K1568 HydrophobicContact CB-CD 4.42Å; R1565-K1568 HydrophobicContact CB-CG 4.31Å; R1565-K1568 PolarHBondContact O-N 2.83Å | ||
| 1566 | F | 89.7 | Confident | 89.8 | Confident | 83 Ų | 83 | 72.5 Ų | 72.5 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -56.4 | -26.6 | -177.5 | 70.6 | -90.9 | 0 | 0 | 0 | 113.5 | F1564 K1568 Q1569 W1572 Y1581 | F1564-F1566 VanDerWaalsContact C-N 3.28Å; F1564-F1566 PolarHBondContact O-N 3.34Å; F1566-K1568 VanDerWaalsContact C-N 3.28Å; F1566-K1568 PolarHBondContact O-N 3.3Å; F1566-Q1569 WeakPolarHBondContact O-CG 3.18Å; F1566-Q1569 PolarHBondContact O-N 3.24Å; F1566-Q1569 VanDerWaalsContact O-O 3.1Å; F1566-W1572 AromaticContact CD2-CD1 3.72Å; F1566-W1572 AromaticContact CE2-CD1 3.67Å; F1566-W1572 AromaticContact CE2-NE1 3.68Å; F1566-Y1581 HydrophobicContact CE2-CE1 4.2Å; F1566-Y1581 AromaticContact CZ-CE1 3.76Å; F1566-Y1581 HydrophobicContact CZ-CE1 3.76Å |
| 1567 | W | 89.9 | Confident | 89.9 | Confident | 16 Ų | 16 | 72.5 Ų | 72.5 | 6% | 0.061 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -73.5 | -13.8 | 179.5 | 61.8 | 91.9 | 0 | 0 | 0 | 114.5 | F1554 R1565 Q1569 W1572 A1573 Y1581 | F1554-W1567 HydrophobicContact CB-CH2 4.09Å; F1554-W1567 HydrophobicContact CB-CZ2 3.56Å; F1554-W1567 AromaticContact CD1-CH2 3.46Å; F1554-W1567 HydrophobicContact CD1-CH2 3.46Å; F1554-W1567 VanDerWaalsContact CD1-CH2 3.46Å; F1554-W1567 AromaticContact CD1-CZ2 3.86Å; F1554-W1567 HydrophobicContact CD1-CZ2 3.86Å; F1554-W1567 HydrophobicContact CD1-CZ3 4.14Å; F1554-W1567 HydrophobicContact CD2-CH2 4.24Å; F1554-W1567 HydrophobicContact CD2-CZ2 4.33Å; F1554-W1567 HydrophobicContact CD2-CZ3 4.38Å; F1554-W1567 AromaticContact CE1-CH2 3.87Å; F1554-W1567 HydrophobicContact CE1-CH2 3.87Å; F1554-W1567 HydrophobicContact CE1-CZ3 4.16Å; F1554-W1567 HydrophobicContact CE2-CZ3 4.39Å; F1554-W1567 AromaticContact CG-CH2 3.66Å; F1554-W1567 HydrophobicContact CG-CH2 3.66Å; F1554-W1567 AromaticContact CG-CZ2 3.66Å; F1554-W1567 HydrophobicContact CG-CZ2 3.66Å; F1554-W1567 HydrophobicContact CG-CZ3 4.24Å; F1554-W1567 HydrophobicContact CZ-CH2 4.41Å; F1554-W1567 HydrophobicContact CZ-CZ3 4.28Å; R1565-W1567 HydrophobicContact CB-CD2 4.36Å; R1565-W1567 HydrophobicContact CB-CH2 4.16Å; R1565-W1567 HydrophobicContact CB-CZ2 3.94Å; R1565-W1567 HydrophobicContact CB-CZ3 4.46Å; R1565-W1567 HydrophobicContact CG-CH2 3.85Å; R1565-W1567 HydrophobicContact CG-CZ2 3.67Å; R1565-W1567 PolarHBondContact O-N 3.35Å; W1567-Q1569 VanDerWaalsContact C-N 3.32Å; W1567-W1572 HydrophobicContact CB-CB 4.19Å; W1567-A1573 PolarHBondContact O-N 2.77Å; W1567-Y1581 HydrophobicContact CB-CD1 3.91Å; W1567-Y1581 HydrophobicContact CB-CD2 4.12Å; W1567-Y1581 HydrophobicContact CB-CG 3.65Å; W1567-Y1581 HydrophobicContact CD2-CD1 4.07Å; W1567-Y1581 HydrophobicContact CD2-CG 4.45Å; W1567-Y1581 HydrophobicContact CE3-CD1 4.15Å; W1567-Y1581 AromaticContact CG-CD1 3.98Å; W1567-Y1581 HydrophobicContact CG-CD1 3.98Å; W1567-Y1581 AromaticContact CG-CG 3.9Å; W1567-Y1581 HydrophobicContact CG-CG 3.9Å |
| 1568 | K | 88.8 | Confident | 89.8 | Confident | 102 Ų | 102 | 73.7 Ų | 73.7 | 44% | 0.443 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -87.9 | 1.8 | 175.7 | -66.9 | -167.1 | 174.5 | -175.9 | 0 | 113.5 | D1556 R1565 F1566 | D1556-K1568 VanDerWaalsContact CG-NZ 3.34Å; D1556-K1568 IonicContact OD1-NZ 3.47Å; D1556-K1568 WeakPolarHBondContact OD2-CE 3.44Å; D1556-K1568 IonicContact OD2-NZ 3.52Å; D1556-K1568 PolarHBondContact OD2-NZ 3.46Å; R1565-K1568 HydrophobicContact CB-CD 4.42Å; R1565-K1568 HydrophobicContact CB-CG 4.31Å; R1565-K1568 PolarHBondContact O-N 2.83Å; F1566-K1568 VanDerWaalsContact C-N 3.28Å; F1566-K1568 PolarHBondContact O-N 3.3Å |
| 1569 | Q | 88.9 | Confident | 89.8 | Confident | 127 Ų | 127 | 76.7 Ų | 76.7 | 59% | 0.593 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -138.5 | 168.1 | 179.5 | 60.7 | -176.2 | 18 | 0 | 0 | 111.8 | F1566 W1567 | F1566-Q1569 WeakPolarHBondContact O-CG 3.18Å; F1566-Q1569 PolarHBondContact O-N 3.24Å; F1566-Q1569 VanDerWaalsContact O-O 3.1Å; W1567-Q1569 VanDerWaalsContact C-N 3.32Å |
| 1570 | G | 89.9 | Confident | 90 | Very high | 51 Ų | 51 | 71.4 Ų | 71.4 | 53% | 0.526 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | 60.8 | -140.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | W1572 N1574 | G1570-W1572 PolarHBondContact O-N 3.33Å; G1570-N1574 PolarHBondContact O-N 3.26Å |
| 1571 | Y | 91.4 | Very high | 90.4 | Very high | 139 Ų | 139 | 65 Ų | 65 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55.8 | -48.3 | -176 | 174.4 | -97.5 | 0 | 0 | 0 | 112.8 | A1573 N1574 H1575 N1627 | Y1571-A1573 PolarHBondContact O-N 3.04Å; Y1571-N1574 PolarHBondContact O-N 3.11Å; Y1571-H1575 HydrophobicContact CE1-CB 4.26Å; Y1571-H1575 WeakPolarHBondContact O-CB 3.43Å; Y1571-H1575 PolarHBondContact O-N 2.99Å; Y1571-N1627 PolarHBondContact OH-ND2 3.22Å |
| 1572 | W | 93.4 | Very high | 90.7 | Very high | 31 Ų | 31 | 64.8 Ų | 64.8 | 12% | 0.117 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.2 | -42.6 | -174.2 | -77.6 | 114.9 | 0 | 0 | 0 | 113 | F1566 W1567 G1570 N1574 H1575 L1576 Y1581 D1623 N1626 N1627 | F1566-W1572 AromaticContact CD2-CD1 3.72Å; F1566-W1572 AromaticContact CE2-CD1 3.67Å; F1566-W1572 AromaticContact CE2-NE1 3.68Å; W1567-W1572 HydrophobicContact CB-CB 4.19Å; G1570-W1572 PolarHBondContact O-N 3.33Å; W1572-N1574 VanDerWaalsContact C-N 3.29Å; W1572-N1574 PolarHBondContact O-N 3.49Å; W1572-H1575 PolarHBondContact O-N 3.42Å; W1572-L1576 HydrophobicContact CB-CD1 4.33Å; W1572-L1576 HydrophobicContact CE3-CD1 4.34Å; W1572-L1576 HydrophobicContact CE3-CD2 4.4Å; W1572-L1576 HydrophobicContact CE3-CG 4.22Å; W1572-L1576 VanDerWaalsContact O-CB 3.28Å; W1572-L1576 WeakPolarHBondContact O-CB 3.27Å; W1572-L1576 WeakPolarHBondContact O-CD1 3.46Å; W1572-L1576 WeakPolarHBondContact O-CG 3.14Å; W1572-L1576 PolarHBondContact O-N 3.1Å; W1572-Y1581 HydrophobicContact CD2-CD2 4.33Å; W1572-Y1581 AromaticContact CD2-CE2 3.72Å; W1572-Y1581 HydrophobicContact CD2-CE2 3.72Å; W1572-Y1581 AromaticContact CE2-CE2 3.86Å; W1572-Y1581 HydrophobicContact CE3-CD2 4.08Å; W1572-Y1581 AromaticContact CE3-CE2 3.64Å; W1572-Y1581 HydrophobicContact CE3-CE2 3.64Å; W1572-Y1581 HydrophobicContact CG-CE2 4.44Å; W1572-Y1581 AromaticContact CH2-CE2 3.9Å; W1572-Y1581 HydrophobicContact CH2-CE2 3.9Å; W1572-Y1581 AromaticContact CZ2-CE2 3.95Å; W1572-Y1581 HydrophobicContact CZ2-CE2 3.95Å; W1572-Y1581 HydrophobicContact CZ3-CD2 4.42Å; W1572-Y1581 AromaticContact CZ3-CE2 3.75Å; W1572-Y1581 HydrophobicContact CZ3-CE2 3.75Å; W1572-D1623 HydrophobicContact CH2-CB 4.12Å; W1572-D1623 WeakPolarHBondContact CH2-O 3.28Å; W1572-D1623 HydrophobicContact CZ2-CB 3.89Å; W1572-N1626 HydrophobicContact CH2-CB 4.01Å; W1572-N1626 HydrophobicContact CZ3-CB 3.7Å; W1572-N1627 HydrophobicContact CH2-CB 4.38Å |
| 1573 | A | 91.2 | Very high | 91.1 | Very high | 34 Ų | 34 | 61.6 Ų | 61.6 | 28% | 0.281 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1567 Y1571 A1577 | W1567-A1573 PolarHBondContact O-N 2.77Å; Y1571-A1573 PolarHBondContact O-N 3.04Å; A1573-A1577 PolarHBondContact O-N 3.4Å |
| 1574 | N | 93.4 | Very high | 91.4 | Very high | 138 Ų | 138 | 58.6 Ų | 58.6 | 74% | 0.738 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -68.8 | -45.3 | 178.1 | -68.3 | -15.9 | 0 | 0 | 0 | 111.6 | G1570 Y1571 W1572 | G1570-N1574 PolarHBondContact O-N 3.26Å; Y1571-N1574 PolarHBondContact O-N 3.11Å; W1572-N1574 VanDerWaalsContact C-N 3.29Å; W1572-N1574 PolarHBondContact O-N 3.49Å |
| 1575 | H | 93.1 | Very high | 91.6 | Very high | 48 Ų | 48 | 54.3 Ų | 54.3 | 22% | 0.222 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.7 | -40.6 | -177.5 | -173 | 75.7 | 0 | 0 | 0 | 112.9 | Y1571 W1572 A1577 N1627 H1630 | Y1571-H1575 HydrophobicContact CE1-CB 4.26Å; Y1571-H1575 WeakPolarHBondContact O-CB 3.43Å; Y1571-H1575 PolarHBondContact O-N 2.99Å; W1572-H1575 PolarHBondContact O-N 3.42Å; H1575-A1577 VanDerWaalsContact C-N 3.33Å; H1575-N1627 PolarHBondContact NE2-O 3.07Å; H1575-H1630 AromaticContact NE2-CD2 3.98Å; H1575-H1630 PolarHBondContact O-NE2 3.49Å |
| 1576 | L | 92.6 | Very high | 91.9 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -74.7 | -22.7 | -178.3 | -64.9 | 168.4 | 0 | 0 | 0 | 112.7 | W1572 G1578 R1579 Y1581 I1629 | W1572-L1576 HydrophobicContact CB-CD1 4.33Å; W1572-L1576 HydrophobicContact CE3-CD1 4.34Å; W1572-L1576 HydrophobicContact CE3-CD2 4.4Å; W1572-L1576 HydrophobicContact CE3-CG 4.22Å; W1572-L1576 VanDerWaalsContact O-CB 3.28Å; W1572-L1576 WeakPolarHBondContact O-CB 3.27Å; W1572-L1576 WeakPolarHBondContact O-CD1 3.46Å; W1572-L1576 WeakPolarHBondContact O-CG 3.14Å; W1572-L1576 PolarHBondContact O-N 3.1Å; L1576-G1578 VanDerWaalsContact C-N 3.26Å; L1576-G1578 PolarHBondContact O-N 3.4Å; L1576-R1579 HydrophobicContact CB-CB 4.44Å; L1576-R1579 VanDerWaalsContact O-CB 3.23Å; L1576-R1579 WeakPolarHBondContact O-CB 3.34Å; L1576-R1579 VanDerWaalsContact O-CG 3.32Å; L1576-R1579 WeakPolarHBondContact O-CG 3.38Å; L1576-R1579 PolarHBondContact O-N 3.28Å; L1576-Y1581 HydrophobicContact CD1-CD2 3.79Å; L1576-Y1581 HydrophobicContact CD1-CG 4.35Å; L1576-Y1581 HydrophobicContact CD2-CD2 4.49Å; L1576-I1629 HydrophobicContact CD2-CG2 4.47Å |
| 1577 | A | 90.3 | Very high | 92.2 | Very high | 79 Ų | 79 | 50.2 Ų | 50.2 | 65% | 0.653 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 45.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1573 H1575 | A1573-A1577 PolarHBondContact O-N 3.4Å; H1575-A1577 VanDerWaalsContact C-N 3.33Å |
| 1578 | G | 88.2 | Confident | 92.5 | Very high | 80 Ų | 80 | 49.4 Ų | 49.4 | 83% | 0.825 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | -5.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1576 | L1576-G1578 VanDerWaalsContact C-N 3.26Å; L1576-G1578 PolarHBondContact O-N 3.4Å |
| 1579 | R | 92.2 | Very high | 92.9 | Very high | 119 Ų | 119 | 44.6 Ų | 44.6 | 45% | 0.449 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 148.2 | 169.6 | -63.2 | -179.3 | -179.5 | -146.3 | -0 | 110.7 | L1576 I1629 | L1576-R1579 HydrophobicContact CB-CB 4.44Å; L1576-R1579 VanDerWaalsContact O-CB 3.23Å; L1576-R1579 WeakPolarHBondContact O-CB 3.34Å; L1576-R1579 VanDerWaalsContact O-CG 3.32Å; L1576-R1579 WeakPolarHBondContact O-CG 3.38Å; L1576-R1579 PolarHBondContact O-N 3.28Å; R1579-I1629 HydrophobicContact CB-CD1 4.1Å; R1579-I1629 PolarHBondContact NH1-O 3.31Å |
| 1580 | P | 93.2 | Very high | 93.2 | Very high | 54 Ų | 54 | 40.6 Ų | 40.6 | 35% | 0.351 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -69.6 | 151.2 | 177.8 | 27.5 | -32.1 | 0 | 0 | 0 | 111.4 | P1553 H1582 | P1553-P1580 HydrophobicContact CB-CB 3.79Å; P1553-P1580 HydrophobicContact CB-CG 4.34Å; P1580-H1582 PolarHBondContact O-CE1 3.29Å; P1580-H1582 VanDerWaalsContact O-CE1 3.3Å; P1580-H1582 PolarHBondContact O-ND1 3.37Å; P1580-H1582 VanDerWaalsContact O-ND1 3.17Å |
| 1581 | Y | 94.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -86.8 | 125.2 | 169.3 | -165.9 | -112.4 | 0 | 0 | 0 | 109.5 | F1554 F1566 W1567 W1572 L1576 Q1622 D1623 N1626 | F1554-Y1581 AromaticContact CD2-CD1 3.69Å; F1554-Y1581 HydrophobicContact CD2-CD1 3.69Å; F1554-Y1581 HydrophobicContact CD2-CE1 4.41Å; F1554-Y1581 AromaticContact CE2-CD1 3.77Å; F1554-Y1581 HydrophobicContact CE2-CD1 3.77Å; F1554-Y1581 HydrophobicContact CE2-CE1 4.04Å; F1554-Y1581 PolarHBondContact N-O 2.98Å; F1566-Y1581 HydrophobicContact CE2-CE1 4.2Å; F1566-Y1581 AromaticContact CZ-CE1 3.76Å; F1566-Y1581 HydrophobicContact CZ-CE1 3.76Å; W1567-Y1581 HydrophobicContact CB-CD1 3.91Å; W1567-Y1581 HydrophobicContact CB-CD2 4.12Å; W1567-Y1581 HydrophobicContact CB-CG 3.65Å; W1567-Y1581 HydrophobicContact CD2-CD1 4.07Å; W1567-Y1581 HydrophobicContact CD2-CG 4.45Å; W1567-Y1581 HydrophobicContact CE3-CD1 4.15Å; W1567-Y1581 AromaticContact CG-CD1 3.98Å; W1567-Y1581 HydrophobicContact CG-CD1 3.98Å; W1567-Y1581 AromaticContact CG-CG 3.9Å; W1567-Y1581 HydrophobicContact CG-CG 3.9Å; W1572-Y1581 HydrophobicContact CD2-CD2 4.33Å; W1572-Y1581 AromaticContact CD2-CE2 3.72Å; W1572-Y1581 HydrophobicContact CD2-CE2 3.72Å; W1572-Y1581 AromaticContact CE2-CE2 3.86Å; W1572-Y1581 HydrophobicContact CE3-CD2 4.08Å; W1572-Y1581 AromaticContact CE3-CE2 3.64Å; W1572-Y1581 HydrophobicContact CE3-CE2 3.64Å; W1572-Y1581 HydrophobicContact CG-CE2 4.44Å; W1572-Y1581 AromaticContact CH2-CE2 3.9Å; W1572-Y1581 HydrophobicContact CH2-CE2 3.9Å; W1572-Y1581 AromaticContact CZ2-CE2 3.95Å; W1572-Y1581 HydrophobicContact CZ2-CE2 3.95Å; W1572-Y1581 HydrophobicContact CZ3-CD2 4.42Å; W1572-Y1581 AromaticContact CZ3-CE2 3.75Å; W1572-Y1581 HydrophobicContact CZ3-CE2 3.75Å; L1576-Y1581 HydrophobicContact CD1-CD2 3.79Å; L1576-Y1581 HydrophobicContact CD1-CG 4.35Å; L1576-Y1581 HydrophobicContact CD2-CD2 4.49Å; Y1581-Q1622 HydrophobicContact CE1-CG 4.24Å; Y1581-Q1622 VanDerWaalsContact CE1-NE2 3.3Å; Y1581-Q1622 PolarHBondContact OH-NE2 3.21Å; Y1581-D1623 PolarHBondContact OH-OD1 3.4Å; Y1581-N1626 HydrophobicContact CD2-CB 3.87Å; Y1581-N1626 HydrophobicContact CE2-CB 3.57Å; Y1581-N1626 WeakPolarHBondContact CE2-ND2 3.32Å |
| 1582 | H | 95.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 150.7 | -173.7 | -60.8 | 87.8 | 0 | 0 | 0 | 112.1 | Y1551 P1580 Q1622 N1626 S1636 | Y1551-H1582 HydrophobicContact CD1-CB 4.21Å; Y1551-H1582 HydrophobicContact CG-CB 4.24Å; Y1551-H1582 PolarHBondContact O-CD2 3.18Å; P1580-H1582 PolarHBondContact O-CE1 3.29Å; P1580-H1582 VanDerWaalsContact O-CE1 3.3Å; P1580-H1582 PolarHBondContact O-ND1 3.37Å; P1580-H1582 VanDerWaalsContact O-ND1 3.17Å; H1582-Q1622 WeakPolarHBondContact O-CG 3.43Å; H1582-N1626 PolarHBondContact N-OD1 3.34Å; H1582-N1626 PolarHBondContact ND1-OD1 3.48Å; H1582-N1626 PolarHBondContact O-ND2 3.05Å; H1582-S1636 PolarHBondContact NE2-OG 3.15Å |
| 1583 | I | 93.2 | Very high | 93.2 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 5% | 0.051 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 143.5 | 179.7 | -173.7 | 166.3 | 0 | 0 | 0 | 111.7 | Y1551 T1552 F1554 A1585 L1642 W1647 | Y1551-I1583 VanDerWaalsContact CD1-O 3.26Å; Y1551-I1583 WeakPolarHBondContact CD1-O 3.49Å; T1552-I1583 VanDerWaalsContact O-CG2 3.32Å; T1552-I1583 WeakPolarHBondContact O-CG2 3.4Å; T1552-I1583 PolarHBondContact O-N 3.42Å; T1552-I1583 WeakPolarHBondContact OG1-CG2 3.27Å; F1554-I1583 HydrophobicContact CD2-CB 4.2Å; F1554-I1583 HydrophobicContact CE1-CD1 4.06Å; F1554-I1583 HydrophobicContact CE2-CB 3.88Å; F1554-I1583 HydrophobicContact CE2-CD1 4.3Å; F1554-I1583 HydrophobicContact CE2-CG1 4.27Å; F1554-I1583 HydrophobicContact CZ-CB 4.26Å; F1554-I1583 HydrophobicContact CZ-CD1 3.79Å; F1554-I1583 HydrophobicContact CZ-CG1 4.21Å; I1583-A1585 VanDerWaalsContact C-N 3.33Å; I1583-A1585 HydrophobicContact CD1-CB 4.34Å; I1583-A1585 HydrophobicContact CG1-CB 4.15Å; I1583-A1585 PolarHBondContact O-N 2.74Å; I1583-L1642 HydrophobicContact CB-CD2 4.47Å; I1583-L1642 HydrophobicContact CD1-CD2 4.3Å; I1583-L1642 HydrophobicContact CG2-CD2 3.21Å; I1583-W1647 HydrophobicContact CD1-CZ3 4.22Å |
| 1584 | S | 93.2 | Very high | 93.4 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 8.3 | -176.1 | 57.3 | 0 | 0 | 0 | 0 | 115.3 | F1525 Y1587 D1621 | F1525-S1584 WeakPolarHBondContact CD1-O 3.29Å; F1525-S1584 WeakPolarHBondContact CE1-O 3.39Å; S1584-Y1587 WeakPolarHBondContact O-CE1 3.28Å; S1584-D1621 WeakPolarHBondContact CB-OD2 3.3Å; S1584-D1621 PolarHBondContact OG-OD2 3.35Å |
| 1585 | A | 91.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 3% | 0.033 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | -35.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1527 Q1530 I1583 L1642 | D1527-A1585 PolarHBondContact N-O 3.04Å; Q1530-A1585 PolarHBondContact NE2-O 2.97Å; I1583-A1585 VanDerWaalsContact C-N 3.33Å; I1583-A1585 HydrophobicContact CD1-CB 4.34Å; I1583-A1585 HydrophobicContact CG1-CB 4.15Å; I1583-A1585 PolarHBondContact O-N 2.74Å; A1585-L1642 HydrophobicContact CB-CD1 4.05Å |
| 1586 | L | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 125.5 | 175.6 | -178.8 | 76.3 | 0 | 0 | 0 | 109.8 | I1524 F1525 V1526 L1539 T1552 W1641 T1658 | I1524-L1586 HydrophobicContact CG2-CD1 4.08Å; F1525-L1586 WeakPolarHBondContact O-CA 3.32Å; F1525-L1586 WeakPolarHBondContact O-CD1 3.34Å; V1526-L1586 HydrophobicContact CB-CD1 4.49Å; V1526-L1586 HydrophobicContact CG2-CD1 3.79Å; L1539-L1586 HydrophobicContact CD1-CD1 4.46Å; L1539-L1586 HydrophobicContact CD1-CD2 3.97Å; T1552-L1586 HydrophobicContact CG2-CD2 4.41Å; L1586-W1641 HydrophobicContact CD2-CB 3.98Å; L1586-W1641 HydrophobicContact CD2-CE3 4.25Å; L1586-W1641 WeakPolarHBondContact CD2-O 3.48Å; L1586-T1658 HydrophobicContact CD2-CG2 4.15Å |
| 1587 | Y | 96.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 153.3 | 172.4 | 57.8 | -90.5 | 0 | 0 | 0 | 111.7 | K1508 L1512 F1525 G1550 Y1551 S1584 V1589 | K1508-Y1587 PolarHBondContact O-OH 2.71Å; L1512-Y1587 HydrophobicContact CD1-CE2 4.47Å; F1525-Y1587 HydrophobicContact CB-CD1 3.93Å; F1525-Y1587 HydrophobicContact CB-CD2 3.89Å; F1525-Y1587 HydrophobicContact CB-CE1 3.49Å; F1525-Y1587 VanDerWaalsContact CB-CE1 3.49Å; F1525-Y1587 HydrophobicContact CB-CE2 3.43Å; F1525-Y1587 VanDerWaalsContact CB-CE2 3.43Å; F1525-Y1587 HydrophobicContact CB-CG 4.1Å; F1525-Y1587 WeakPolarHBondContact CB-OH 3.43Å; F1525-Y1587 AromaticContact CD1-CD1 3.72Å; F1525-Y1587 HydrophobicContact CD1-CD1 3.72Å; F1525-Y1587 AromaticContact CD1-CE1 3.12Å; F1525-Y1587 HydrophobicContact CD1-CE1 3.12Å; F1525-Y1587 AromaticContact CD1-CZ 3.66Å; F1525-Y1587 HydrophobicContact CD2-CE1 4.39Å; F1525-Y1587 AromaticContact CE1-CE1 3.98Å; F1525-Y1587 HydrophobicContact CE1-CE1 3.98Å; F1525-Y1587 HydrophobicContact CG-CD1 4.15Å; F1525-Y1587 AromaticContact CG-CE1 3.39Å; F1525-Y1587 HydrophobicContact CG-CE1 3.39Å; F1525-Y1587 HydrophobicContact CG-CE2 4.15Å; F1525-Y1587 AromaticContact CG-CZ 3.36Å; F1525-Y1587 VanDerWaalsContact CG-OH 3.23Å; F1525-Y1587 WeakPolarHBondContact CG-OH 3.5Å; F1525-Y1587 PolarHBondContact N-O 2.83Å; F1525-Y1587 PolarHBondContact O-N 2.89Å; G1550-Y1587 CarbonylContact O-C 3.57Å; G1550-Y1587 WeakPolarHBondContact O-CA 3.35Å; G1550-Y1587 WeakPolarHBondContact O-CB 3.38Å; Y1551-Y1587 HydrophobicContact CD1-CD1 4.34Å; Y1551-Y1587 HydrophobicContact CD1-CG 4.38Å; Y1551-Y1587 HydrophobicContact CD2-CG 4.23Å; Y1551-Y1587 AromaticContact CE1-CD1 3.72Å; Y1551-Y1587 HydrophobicContact CE1-CD1 3.72Å; Y1551-Y1587 HydrophobicContact CE1-CE1 4.41Å; Y1551-Y1587 AromaticContact CE1-CG 3.92Å; Y1551-Y1587 HydrophobicContact CE1-CG 3.92Å; Y1551-Y1587 HydrophobicContact CE2-CD1 4.37Å; Y1551-Y1587 AromaticContact CE2-CD2 4Å; Y1551-Y1587 HydrophobicContact CE2-CD2 4Å; Y1551-Y1587 AromaticContact CE2-CG 3.74Å; Y1551-Y1587 HydrophobicContact CE2-CG 3.74Å; Y1551-Y1587 AromaticContact CZ-CD1 3.73Å; Y1551-Y1587 AromaticContact CZ-CD2 3.97Å; Y1551-Y1587 AromaticContact CZ-CG 3.56Å; S1584-Y1587 WeakPolarHBondContact O-CE1 3.28Å; Y1587-V1589 HydrophobicContact CD2-CG2 3.63Å; Y1587-V1589 HydrophobicContact CE2-CG2 3.77Å |
| 1588 | V | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 139.8 | 176.4 | 60.3 | 0 | 0 | 0 | 0 | 109.5 | K1522 I1524 L1539 L1544 Y1549 G1550 L1637 | K1522-V1588 HydrophobicContact CD-CG2 3.9Å; K1522-V1588 HydrophobicContact CG-CG2 3.98Å; I1524-V1588 HydrophobicContact CG1-CB 4.36Å; I1524-V1588 HydrophobicContact CG1-CG2 3.99Å; L1539-V1588 HydrophobicContact CD2-CB 4.32Å; L1539-V1588 HydrophobicContact CD2-CG1 4.15Å; L1544-V1588 HydrophobicContact CD1-CG1 4.13Å; L1544-V1588 HydrophobicContact CD2-CG1 3.58Å; L1544-V1588 HydrophobicContact CG-CG1 4.46Å; Y1549-V1588 CarbonylContact C-O 3.58Å; Y1549-V1588 WeakPolarHBondContact CA-O 3.27Å; Y1549-V1588 VanDerWaalsContact CB-O 3.24Å; Y1549-V1588 WeakPolarHBondContact CB-O 3.36Å; G1550-V1588 PolarHBondContact N-O 2.71Å; G1550-V1588 PolarHBondContact O-N 3.05Å; V1588-L1637 HydrophobicContact CG1-CD1 4.47Å; V1588-L1637 HydrophobicContact CG1-CD2 4.2Å |
| 1589 | V | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 120.6 | -178 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | L1512 K1522 I1523 Y1587 L1591 F1594 | L1512-V1589 HydrophobicContact CD1-CG1 4.43Å; L1512-V1589 HydrophobicContact CD1-CG2 4.04Å; K1522-V1589 CarbonylContact C-O 3.42Å; K1522-V1589 VanDerWaalsContact CA-O 3.28Å; K1522-V1589 WeakPolarHBondContact CA-O 3.31Å; K1522-V1589 VanDerWaalsContact CG-O 3.24Å; K1522-V1589 WeakPolarHBondContact CG-O 3.41Å; I1523-V1589 HydrophobicContact CG2-CB 3.97Å; I1523-V1589 HydrophobicContact CG2-CG2 4.44Å; I1523-V1589 PolarHBondContact N-O 3.42Å; I1523-V1589 PolarHBondContact O-N 2.61Å; Y1587-V1589 HydrophobicContact CD2-CG2 3.63Å; Y1587-V1589 HydrophobicContact CE2-CG2 3.77Å; V1589-L1591 HydrophobicContact CG1-CD2 3.94Å; V1589-L1591 HydrophobicContact CG1-CG 4.47Å; V1589-L1591 PolarHBondContact O-N 3.46Å; V1589-F1594 HydrophobicContact CG1-CB 4.18Å; V1589-F1594 HydrophobicContact CG1-CD2 3.85Å; V1589-F1594 HydrophobicContact CG1-CG 4.19Å |
| 1590 | D | 96 | Very high | 92.8 | Very high | 43 Ų | 43 | 20.7 Ų | 20.7 | 23% | 0.23 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 95.7 | 164.4 | 179.4 | -18.2 | 0 | 0 | 0 | 107.6 | L1544 P1548 T1592 R1593 F1594 | L1544-D1590 HydrophobicContact CD1-CB 4.1Å; P1548-D1590 PolarHBondContact O-N 3.48Å; D1590-T1592 PolarHBondContact O-N 3.23Å; D1590-T1592 WeakPolarHBondContact OD1-CA 3.3Å; D1590-T1592 VanDerWaalsContact OD1-CB 3.3Å; D1590-T1592 WeakPolarHBondContact OD1-CB 3.44Å; D1590-T1592 PolarHBondContact OD1-N 2.91Å; D1590-R1593 HydrophobicContact CB-CB 3.98Å; D1590-R1593 PolarHBondContact O-N 2.85Å; D1590-R1593 PolarHBondContact OD1-N 3.17Å; D1590-F1594 WeakPolarHBondContact O-CB 3.36Å; D1590-F1594 PolarHBondContact O-N 3.06Å |
| 1591 | L | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.3 | -30.8 | -178.2 | -69.3 | 175.1 | 0 | 0 | 0 | 112 | L1512 F1516 V1520 T1521 I1523 V1589 R1595 | L1512-L1591 HydrophobicContact CB-CD2 4.34Å; L1512-L1591 WeakPolarHBondContact O-CD2 3.43Å; F1516-L1591 HydrophobicContact CB-CD1 4.09Å; F1516-L1591 HydrophobicContact CD2-CD1 3.94Å; F1516-L1591 HydrophobicContact CD2-CD2 4.3Å; F1516-L1591 HydrophobicContact CG-CD1 4.24Å; V1520-L1591 HydrophobicContact CB-CD1 4.07Å; V1520-L1591 HydrophobicContact CG1-CD1 3.85Å; T1521-L1591 WeakPolarHBondContact O-CA 3.35Å; T1521-L1591 WeakPolarHBondContact O-CB 3.16Å; T1521-L1591 PolarHBondContact O-N 3.26Å; I1523-L1591 HydrophobicContact CB-CD1 4.28Å; I1523-L1591 HydrophobicContact CG2-CD1 3.97Å; I1523-L1591 HydrophobicContact CG2-CD2 4.21Å; I1523-L1591 HydrophobicContact CG2-CG 4Å; V1589-L1591 HydrophobicContact CG1-CD2 3.94Å; V1589-L1591 HydrophobicContact CG1-CG 4.47Å; V1589-L1591 PolarHBondContact O-N 3.46Å; L1591-R1595 VanDerWaalsContact O-CB 3.28Å; L1591-R1595 WeakPolarHBondContact O-CB 3.48Å; L1591-R1595 WeakPolarHBondContact O-CD 3.49Å; L1591-R1595 WeakPolarHBondContact O-CG 3.34Å; L1591-R1595 PolarHBondContact O-N 3.02Å |
| 1592 | T | 90.7 | Very high | 92.5 | Very high | 73 Ų | 73 | 23.7 Ų | 23.7 | 45% | 0.448 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -65.8 | -49.9 | 177 | -46.1 | 0 | 0 | 0 | 0 | 109.9 | T1521 D1590 R1596 | T1521-T1592 PolarHBondContact O-N 3Å; T1521-T1592 PolarHBondContact O-OG1 3.19Å; D1590-T1592 PolarHBondContact O-N 3.23Å; D1590-T1592 WeakPolarHBondContact OD1-CA 3.3Å; D1590-T1592 VanDerWaalsContact OD1-CB 3.3Å; D1590-T1592 WeakPolarHBondContact OD1-CB 3.44Å; D1590-T1592 PolarHBondContact OD1-N 2.91Å; T1592-R1596 VanDerWaalsContact O-CB 3.26Å; T1592-R1596 WeakPolarHBondContact O-CB 3.4Å; T1592-R1596 PolarHBondContact O-N 3.37Å |
| 1593 | R | 90.7 | Very high | 92.5 | Very high | 70 Ų | 70 | 23.6 Ų | 23.6 | 26% | 0.264 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -68 | -38.8 | 176.6 | -172.6 | 59.7 | 172.8 | 177.6 | 0.9 | 112.2 | G1546 P1548 D1590 R1596 L1597 | G1546-R1593 PolarHBondContact O-NE 2.93Å; P1548-R1593 HydrophobicContact CB-CG 4.48Å; D1590-R1593 HydrophobicContact CB-CB 3.98Å; D1590-R1593 PolarHBondContact O-N 2.85Å; D1590-R1593 PolarHBondContact OD1-N 3.17Å; R1593-R1596 PolarHBondContact O-N 3.17Å; R1593-L1597 HydrophobicContact CG-CD1 3.99Å; R1593-L1597 HydrophobicContact CG-CG 4.38Å; R1593-L1597 WeakPolarHBondContact O-CB 3.29Å; R1593-L1597 WeakPolarHBondContact O-CG 3.43Å; R1593-L1597 PolarHBondContact O-N 3.42Å |
| 1594 | F | 93.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.3 | -47.9 | 178.2 | -170.8 | -82.3 | 0 | 0 | 0 | 111.7 | L1512 D1513 P1548 Y1549 V1589 D1590 A1598 A1599 L1603 | L1512-F1594 HydrophobicContact CB-CE1 4.17Å; L1512-F1594 HydrophobicContact CB-CZ 4.12Å; L1512-F1594 HydrophobicContact CD1-CE2 4.27Å; L1512-F1594 HydrophobicContact CD1-CZ 4.36Å; D1513-F1594 HydrophobicContact CB-CD1 3.88Å; D1513-F1594 HydrophobicContact CB-CE1 3.84Å; P1548-F1594 HydrophobicContact CB-CB 4.07Å; P1548-F1594 HydrophobicContact CB-CD2 4Å; P1548-F1594 HydrophobicContact CB-CG 4.44Å; Y1549-F1594 AromaticContact CD1-CD2 3.84Å; Y1549-F1594 HydrophobicContact CD1-CD2 3.84Å; Y1549-F1594 AromaticContact CD1-CE2 3.8Å; Y1549-F1594 HydrophobicContact CD1-CE2 3.8Å; Y1549-F1594 HydrophobicContact CE1-CD2 4.32Å; Y1549-F1594 AromaticContact CE1-CE2 3.93Å; Y1549-F1594 HydrophobicContact CE1-CE2 3.93Å; V1589-F1594 HydrophobicContact CG1-CB 4.18Å; V1589-F1594 HydrophobicContact CG1-CD2 3.85Å; V1589-F1594 HydrophobicContact CG1-CG 4.19Å; D1590-F1594 WeakPolarHBondContact O-CB 3.36Å; D1590-F1594 PolarHBondContact O-N 3.06Å; F1594-A1598 PolarHBondContact O-N 2.85Å; F1594-A1599 HydrophobicContact CD1-CB 4.17Å; F1594-A1599 HydrophobicContact CD2-CB 3.73Å; F1594-A1599 HydrophobicContact CE1-CB 4.19Å; F1594-A1599 HydrophobicContact CE2-CB 3.73Å; F1594-A1599 HydrophobicContact CG-CB 3.94Å; F1594-A1599 HydrophobicContact CZ-CB 3.97Å; F1594-A1599 PolarHBondContact O-N 3.12Å; F1594-L1603 HydrophobicContact CE2-CD1 4.05Å; F1594-L1603 HydrophobicContact CZ-CD1 3.84Å |
| 1595 | R | 91.3 | Very high | 92.3 | Very high | 30 Ų | 30 | 24.2 Ų | 24.2 | 11% | 0.113 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 174.6 | -69.5 | 168.2 | -177.4 | 149.7 | -1.7 | 111 | I1294 D1513 F1516 P1517 L1518 V1520 L1591 L1597 A1598 | I1294-R1595 HydrophobicContact CD1-CG 4.45Å; D1513-R1595 HydrophobicContact CB-CG 3.91Å; D1513-R1595 PolarHBondContact O-NE 3.49Å; D1513-R1595 PolarHBondContact O-NH2 3.48Å; F1516-R1595 PolarHBondContact O-NH2 3.37Å; P1517-R1595 PolarHBondContact O-NH2 3.44Å; P1517-R1595 VanDerWaalsContact O-NH2 3.12Å; L1518-R1595 PolarHBondContact O-NH1 3.46Å; V1520-R1595 PolarHBondContact O-NH1 2.72Å; L1591-R1595 VanDerWaalsContact O-CB 3.28Å; L1591-R1595 WeakPolarHBondContact O-CB 3.48Å; L1591-R1595 WeakPolarHBondContact O-CD 3.49Å; L1591-R1595 WeakPolarHBondContact O-CG 3.34Å; L1591-R1595 PolarHBondContact O-N 3.02Å; R1595-L1597 PolarHBondContact O-N 3.46Å; R1595-A1598 PolarHBondContact O-N 3.06Å; R1595-A1598 VanDerWaalsContact O-N 3.09Å |
| 1596 | R | 85.9 | Confident | 92.3 | Very high | 82 Ų | 82 | 27 Ų | 27 | 31% | 0.309 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 178.6 | -177.4 | 178.3 | -92.7 | -177.8 | -11.4 | 112.9 | L1369 D1371 T1592 R1593 A1598 | L1369-R1596 WeakPolarHBondContact O-CG 3.42Å; D1371-R1596 IonicContact OD1-CZ 2.9Å; D1371-R1596 IonicContact OD1-NH2 3.93Å; D1371-R1596 PolarHBondContact OD1-NH2 3.38Å; D1371-R1596 IonicContact OD2-CZ 3.84Å; D1371-R1596 VanDerWaalsContact OD2-CZ 3.26Å; D1371-R1596 IonicContact OD2-NH1 3.92Å; D1371-R1596 PolarHBondContact OD2-NH1 3.06Å; D1371-R1596 IonicContact OD2-NH2 2.68Å; D1371-R1596 PolarHBondContact OD2-NH2 3.26Å; T1592-R1596 VanDerWaalsContact O-CB 3.26Å; T1592-R1596 WeakPolarHBondContact O-CB 3.4Å; T1592-R1596 PolarHBondContact O-N 3.37Å; R1593-R1596 PolarHBondContact O-N 3.17Å; R1596-A1598 PolarHBondContact O-N 3.34Å |
| 1597 | L | 87.6 | Confident | 92.3 | Very high | 44 Ų | 44 | 27 Ų | 27 | 23% | 0.23 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -4.9 | 177 | -72.3 | 176.4 | 0 | 0 | 0 | 113.6 | P1548 R1593 R1595 A1599 | P1548-L1597 HydrophobicContact CB-CD1 4.18Å; P1548-L1597 HydrophobicContact CG-CD1 4.07Å; R1593-L1597 HydrophobicContact CG-CD1 3.99Å; R1593-L1597 HydrophobicContact CG-CG 4.38Å; R1593-L1597 WeakPolarHBondContact O-CB 3.29Å; R1593-L1597 WeakPolarHBondContact O-CG 3.43Å; R1593-L1597 PolarHBondContact O-N 3.42Å; R1595-L1597 PolarHBondContact O-N 3.46Å; L1597-A1599 PolarHBondContact O-N 3.44Å |
| 1598 | A | 88.7 | Confident | 92 | Very high | 7 Ų | 7 | 30 Ų | 30 | 6% | 0.058 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 41.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1369 F1594 R1595 R1596 G1600 D1601 R1602 | L1369-A1598 HydrophobicContact CD1-CB 4.03Å; F1594-A1598 PolarHBondContact O-N 2.85Å; R1595-A1598 PolarHBondContact O-N 3.06Å; R1595-A1598 VanDerWaalsContact O-N 3.09Å; R1596-A1598 PolarHBondContact O-N 3.34Å; A1598-G1600 VanDerWaalsContact C-N 3.28Å; A1598-G1600 PolarHBondContact O-N 3.41Å; A1598-D1601 HydrophobicContact CB-CB 4.39Å; A1598-D1601 PolarHBondContact O-N 3.41Å; A1598-R1602 PolarHBondContact O-N 3.16Å |
| 1599 | A | 91.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.1 | -38.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P1548 F1594 L1597 D1601 R1602 L1603 V1632 | P1548-A1599 HydrophobicContact CB-CB 4.39Å; P1548-A1599 HydrophobicContact CG-CB 4.36Å; F1594-A1599 HydrophobicContact CD1-CB 4.17Å; F1594-A1599 HydrophobicContact CD2-CB 3.73Å; F1594-A1599 HydrophobicContact CE1-CB 4.19Å; F1594-A1599 HydrophobicContact CE2-CB 3.73Å; F1594-A1599 HydrophobicContact CG-CB 3.94Å; F1594-A1599 HydrophobicContact CZ-CB 3.97Å; F1594-A1599 PolarHBondContact O-N 3.12Å; L1597-A1599 PolarHBondContact O-N 3.44Å; A1599-D1601 PolarHBondContact O-N 3.12Å; A1599-R1602 PolarHBondContact O-N 3.2Å; A1599-L1603 VanDerWaalsContact O-CG 3.29Å; A1599-L1603 WeakPolarHBondContact O-CG 3.3Å; A1599-L1603 PolarHBondContact O-N 3.02Å; A1599-V1632 HydrophobicContact CB-CG1 4.02Å |
| 1600 | G | 92.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.6 | -45 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | A1598 R1602 L1603 R1604 | A1598-G1600 VanDerWaalsContact C-N 3.28Å; A1598-G1600 PolarHBondContact O-N 3.41Å; G1600-R1602 PolarHBondContact O-N 2.69Å; G1600-L1603 PolarHBondContact O-N 2.67Å; G1600-R1604 WeakPolarHBondContact O-CB 3.44Å; G1600-R1604 WeakPolarHBondContact O-CG 3.43Å; G1600-R1604 PolarHBondContact O-N 3.11Å; G1600-R1604 PolarHBondContact O-NE 3.15Å |
| 1601 | D | 90.3 | Very high | 91.1 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 177.8 | -74.5 | -33.7 | 0 | 0 | 0 | 112 | A1297 A1598 A1599 R1604 G1605 | A1297-D1601 HydrophobicContact CB-CB 3.96Å; A1297-D1601 WeakPolarHBondContact CB-OD2 3.4Å; A1297-D1601 VanDerWaalsContact N-CG 3.34Å; A1297-D1601 PolarHBondContact N-OD1 2.96Å; A1297-D1601 PolarHBondContact N-OD2 2.98Å; A1297-D1601 VanDerWaalsContact N-OD2 3.13Å; A1598-D1601 HydrophobicContact CB-CB 4.39Å; A1598-D1601 PolarHBondContact O-N 3.41Å; A1599-D1601 PolarHBondContact O-N 3.12Å; D1601-R1604 PolarHBondContact O-N 3.11Å; D1601-R1604 IonicContact OD1-CZ 3.93Å; D1601-R1604 IonicContact OD1-NE 2.71Å; D1601-R1604 IonicContact OD1-NH2 2.69Å; D1601-R1604 PolarHBondContact OD1-NH2 3.34Å; D1601-G1605 PolarHBondContact O-N 3.19Å |
| 1602 | R | 91.8 | Very high | 90.7 | Very high | 106 Ų | 106 | 39.9 Ų | 39.9 | 40% | 0.4 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.5 | -44.5 | 176.9 | -63.6 | 179.7 | -170.1 | -165.3 | -0.6 | 111.6 | A1598 A1599 G1600 G1605 Q1606 M1628 Q1631 V1632 | A1598-R1602 PolarHBondContact O-N 3.16Å; A1599-R1602 PolarHBondContact O-N 3.2Å; G1600-R1602 PolarHBondContact O-N 2.69Å; R1602-G1605 PolarHBondContact O-N 3.11Å; R1602-Q1606 PolarHBondContact O-N 3.31Å; R1602-M1628 HydrophobicContact CB-CE 4Å; R1602-Q1631 PolarHBondContact NH1-O 2.89Å; R1602-V1632 HydrophobicContact CB-CG2 4.24Å |
| 1603 | L | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 178.1 | -72 | 166 | 0 | 0 | 0 | 111.2 | I1509 L1510 Y1549 F1594 A1599 G1600 Q1606 Y1607 L1624 M1628 | I1509-L1603 HydrophobicContact CD1-CD1 4.15Å; I1509-L1603 HydrophobicContact CG1-CD1 4.18Å; L1510-L1603 HydrophobicContact CD2-CB 4.49Å; Y1549-L1603 HydrophobicContact CE1-CD1 4.49Å; F1594-L1603 HydrophobicContact CE2-CD1 4.05Å; F1594-L1603 HydrophobicContact CZ-CD1 3.84Å; A1599-L1603 VanDerWaalsContact O-CG 3.29Å; A1599-L1603 WeakPolarHBondContact O-CG 3.3Å; A1599-L1603 PolarHBondContact O-N 3.02Å; G1600-L1603 PolarHBondContact O-N 2.67Å; L1603-Q1606 PolarHBondContact O-N 2.9Å; L1603-Y1607 VanDerWaalsContact O-CB 3.25Å; L1603-Y1607 WeakPolarHBondContact O-CB 3.49Å; L1603-Y1607 PolarHBondContact O-N 2.75Å; L1603-L1624 HydrophobicContact CB-CD2 4.29Å; L1603-L1624 HydrophobicContact CD2-CD2 4.11Å; L1603-L1624 HydrophobicContact CD2-CG 3.94Å; L1603-M1628 HydrophobicContact CD2-CB 4.23Å; L1603-M1628 HydrophobicContact CD2-CG 4.18Å |
| 1604 | R | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 176.3 | -72.9 | -178.2 | -69.1 | -95.1 | 7.3 | 112.2 | W1493 L1494 L1510 D1513 G1600 D1601 Y1607 H1608 | W1493-R1604 HydrophobicContact CH2-CB 4.15Å; L1494-R1604 HydrophobicContact CD1-CB 4.38Å; L1494-R1604 HydrophobicContact CD2-CG 4.38Å; L1510-R1604 HydrophobicContact CB-CG 4.31Å; L1510-R1604 HydrophobicContact CD2-CG 4.37Å; L1510-R1604 PolarHBondContact O-NH1 3.38Å; D1513-R1604 IonicContact OD1-CZ 3.97Å; D1513-R1604 IonicContact OD1-NH1 3.36Å; D1513-R1604 PolarHBondContact OD1-NH1 3.16Å; D1513-R1604 IonicContact OD1-NH2 3.97Å; D1513-R1604 IonicContact OD2-CZ 2.61Å; D1513-R1604 IonicContact OD2-NH1 2.77Å; D1513-R1604 PolarHBondContact OD2-NH1 2.88Å; D1513-R1604 VanDerWaalsContact OD2-NH1 3.12Å; D1513-R1604 IonicContact OD2-NH2 2.96Å; D1513-R1604 PolarHBondContact OD2-NH2 3.21Å; G1600-R1604 WeakPolarHBondContact O-CB 3.44Å; G1600-R1604 WeakPolarHBondContact O-CG 3.43Å; G1600-R1604 PolarHBondContact O-N 3.11Å; G1600-R1604 PolarHBondContact O-NE 3.15Å; D1601-R1604 PolarHBondContact O-N 3.11Å; D1601-R1604 IonicContact OD1-CZ 3.93Å; D1601-R1604 IonicContact OD1-NE 2.71Å; D1601-R1604 IonicContact OD1-NH2 2.69Å; D1601-R1604 PolarHBondContact OD1-NH2 3.34Å; R1604-Y1607 PolarHBondContact O-N 3.32Å; R1604-H1608 WeakPolarHBondContact O-CB 3.31Å; R1604-H1608 PolarHBondContact O-N 2.9Å |
| 1605 | G | 89.2 | Confident | 89.1 | Confident | 34 Ų | 34 | 46.9 Ų | 46.9 | 35% | 0.351 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1601 R1602 H1608 G1609 | D1601-G1605 PolarHBondContact O-N 3.19Å; R1602-G1605 PolarHBondContact O-N 3.11Å; G1605-H1608 PolarHBondContact O-N 3.47Å; G1605-G1609 PolarHBondContact O-N 3.13Å |
| 1606 | Q | 93.2 | Very high | 88.8 | Confident | 62 Ų | 62 | 47 Ų | 47 | 29% | 0.29 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 177.6 | -173 | 72.1 | -4.9 | 0 | 0 | 112 | R1602 L1603 H1608 G1609 L1610 L1624 N1627 M1628 | R1602-Q1606 PolarHBondContact O-N 3.31Å; L1603-Q1606 PolarHBondContact O-N 2.9Å; Q1606-H1608 VanDerWaalsContact C-N 3.32Å; Q1606-H1608 PolarHBondContact O-N 3.45Å; Q1606-G1609 PolarHBondContact O-N 3.07Å; Q1606-L1610 HydrophobicContact CG-CD1 3.97Å; Q1606-L1610 WeakPolarHBondContact O-CG 3.32Å; Q1606-L1610 PolarHBondContact O-N 3.16Å; Q1606-L1610 VanDerWaalsContact O-N 3.11Å; Q1606-L1624 HydrophobicContact CB-CD1 4.24Å; Q1606-L1624 HydrophobicContact CG-CD1 4.09Å; Q1606-N1627 PolarHBondContact NE2-OD1 3.43Å; Q1606-M1628 HydrophobicContact CB-CE 4.01Å; Q1606-M1628 HydrophobicContact CB-CG 4.14Å; Q1606-M1628 HydrophobicContact CB-SD 3.64Å; Q1606-M1628 HydrophobicContact CG-CE 4.47Å; Q1606-M1628 HydrophobicContact CG-CG 3.94Å; Q1606-M1628 HydrophobicContact CG-SD 3.45Å; Q1606-M1628 WeakPolarHBondContact CG-SD 3.35Å |
| 1607 | Y | 94.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.1 | -47.6 | 176.1 | 164.4 | -94.4 | 0 | 0 | 0 | 111.2 | W1490 L1494 H1495 Q1497 L1510 L1603 R1604 G1609 L1610 S1611 L1617 L1620 | W1490-Y1607 AromaticContact CZ2-CE1 3.8Å; W1490-Y1607 HydrophobicContact CZ2-CE1 3.8Å; W1490-Y1607 AromaticContact CZ2-CZ 3.77Å; W1490-Y1607 WeakPolarHBondContact CZ2-OH 3.48Å; L1494-Y1607 HydrophobicContact CD1-CD1 3.72Å; L1494-Y1607 HydrophobicContact CD1-CE1 3.99Å; L1494-Y1607 HydrophobicContact CD2-CE1 4.49Å; L1494-Y1607 HydrophobicContact CG-CD1 4.2Å; L1494-Y1607 HydrophobicContact CG-CE1 4.02Å; H1495-Y1607 VanDerWaalsContact O-CE1 3.3Å; H1495-Y1607 WeakPolarHBondContact O-CE1 3.38Å; H1495-Y1607 PolarHBondContact O-OH 3.47Å; Q1497-Y1607 WeakPolarHBondContact CG-OH 3.4Å; Q1497-Y1607 PolarHBondContact NE2-OH 3.26Å; L1510-Y1607 HydrophobicContact CD1-CD1 3.95Å; L1510-Y1607 HydrophobicContact CD1-CD2 4.2Å; L1510-Y1607 HydrophobicContact CD1-CE1 4.15Å; L1510-Y1607 HydrophobicContact CD1-CE2 4.37Å; L1510-Y1607 HydrophobicContact CD1-CG 3.97Å; L1510-Y1607 HydrophobicContact CD2-CG 4.06Å; L1603-Y1607 VanDerWaalsContact O-CB 3.25Å; L1603-Y1607 WeakPolarHBondContact O-CB 3.49Å; L1603-Y1607 PolarHBondContact O-N 2.75Å; R1604-Y1607 PolarHBondContact O-N 3.32Å; Y1607-G1609 VanDerWaalsContact C-N 3.26Å; Y1607-G1609 PolarHBondContact O-N 3.42Å; Y1607-L1610 PolarHBondContact O-N 2.97Å; Y1607-L1610 VanDerWaalsContact O-N 3.08Å; Y1607-S1611 VanDerWaalsContact O-CB 3.25Å; Y1607-S1611 WeakPolarHBondContact O-CB 3.3Å; Y1607-S1611 PolarHBondContact O-N 3.01Å; Y1607-S1611 PolarHBondContact O-OG 3.02Å; Y1607-L1617 HydrophobicContact CD2-CD1 4Å; Y1607-L1620 HydrophobicContact CD2-CD1 3.45Å; Y1607-L1620 VanDerWaalsContact CD2-CD1 3.45Å; Y1607-L1620 HydrophobicContact CD2-CD2 4.27Å; Y1607-L1620 HydrophobicContact CE2-CD1 3.79Å; Y1607-L1620 HydrophobicContact CE2-CD2 3.83Å |
| 1608 | H | 90.1 | Very high | 88.8 | Confident | 64 Ų | 64 | 45.2 Ų | 45.2 | 30% | 0.296 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.5 | -37 | -178.3 | -169.8 | 91 | 0 | 0 | 0 | 112.5 | W1493 L1494 H1495 R1604 G1605 Q1606 | W1493-H1608 PolarHBondContact O-CE1 3Å; W1493-H1608 PolarHBondContact O-ND1 2.92Å; L1494-H1608 HydrophobicContact CD1-CB 4.11Å; H1495-H1608 PolarHBondContact N-ND1 2.92Å; R1604-H1608 WeakPolarHBondContact O-CB 3.31Å; R1604-H1608 PolarHBondContact O-N 2.9Å; G1605-H1608 PolarHBondContact O-N 3.47Å; Q1606-H1608 VanDerWaalsContact C-N 3.32Å; Q1606-H1608 PolarHBondContact O-N 3.45Å |
| 1609 | G | 88.8 | Confident | 88.8 | Confident | 53 Ų | 53 | 47.8 Ų | 47.8 | 55% | 0.546 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.1 | -36 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G1605 Q1606 Y1607 | G1605-G1609 PolarHBondContact O-N 3.13Å; Q1606-G1609 PolarHBondContact O-N 3.07Å; Y1607-G1609 VanDerWaalsContact C-N 3.26Å; Y1607-G1609 PolarHBondContact O-N 3.42Å |
| 1610 | L | 91.5 | Very high | 88.8 | Confident | 48 Ų | 48 | 47.8 Ų | 47.8 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -85.4 | -31.6 | -177.6 | -66.1 | 175.8 | 0 | 0 | 0 | 113.5 | Q1606 Y1607 Q1612 D1613 S1616 L1617 | Q1606-L1610 HydrophobicContact CG-CD1 3.97Å; Q1606-L1610 WeakPolarHBondContact O-CG 3.32Å; Q1606-L1610 PolarHBondContact O-N 3.16Å; Q1606-L1610 VanDerWaalsContact O-N 3.11Å; Y1607-L1610 PolarHBondContact O-N 2.97Å; Y1607-L1610 VanDerWaalsContact O-N 3.08Å; L1610-Q1612 PolarHBondContact O-N 3.18Å; L1610-D1613 PolarHBondContact O-N 3.31Å; L1610-S1616 WeakPolarHBondContact O-CB 3.39Å; L1610-L1617 HydrophobicContact CB-CD1 3.98Å; L1610-L1617 HydrophobicContact CB-CG 4.33Å; L1610-L1617 HydrophobicContact CD1-CD1 4.23Å; L1610-L1617 HydrophobicContact CD1-CD2 4.04Å; L1610-L1617 HydrophobicContact CD1-CG 4.27Å |
| 1611 | S | 89.3 | Confident | 88.7 | Confident | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -11.2 | -169.3 | 65.1 | 0 | 0 | 0 | 0 | 114.7 | H1495 Y1607 D1613 | H1495-S1611 WeakPolarHBondContact CB-OG 3.19Å; H1495-S1611 PolarHBondContact CE1-O 3.47Å; Y1607-S1611 VanDerWaalsContact O-CB 3.25Å; Y1607-S1611 WeakPolarHBondContact O-CB 3.3Å; Y1607-S1611 PolarHBondContact O-N 3.01Å; Y1607-S1611 PolarHBondContact O-OG 3.02Å; S1611-D1613 PolarHBondContact O-N 3.23Å |
| 1612 | Q | 84 | Confident | 88.9 | Confident | 140 Ų | 140 | 48 Ų | 48 | 65% | 0.654 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -29.9 | 175.8 | -64.8 | -175.5 | -1.2 | 0 | 0 | 111.9 | L1610 | L1610-Q1612 PolarHBondContact O-N 3.18Š|
| 1613 | D | 84.4 | Confident | 89 | Confident | 71 Ų | 71 | 43.1 Ų | 43.1 | 38% | 0.38 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -90.6 | 115.7 | 169.6 | 170.4 | 26.4 | 0 | 0 | 0 | 109.8 | L1610 S1611 N1615 S1616 | L1610-D1613 PolarHBondContact O-N 3.31Å; S1611-D1613 PolarHBondContact O-N 3.23Å; D1613-N1615 PolarHBondContact O-N 3.26Å; D1613-N1615 VanDerWaalsContact O-N 3.14Å; D1613-N1615 PolarHBondContact OD1-N 3.16Å; D1613-N1615 PolarHBondContact OD1-ND2 3.25Å; D1613-S1616 WeakPolarHBondContact O-CB 3.49Å; D1613-S1616 PolarHBondContact O-N 2.9Å; D1613-S1616 VanDerWaalsContact O-N 3.08Å; D1613-S1616 PolarHBondContact OD2-N 3.02Å; D1613-S1616 PolarHBondContact OD2-OG 3.29Å |
| 1614 | P | 75.4 | Confident | 89 | Confident | 91 Ų | 91 | 43.1 Ų | 43.1 | 59% | 0.591 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.9 | -178.9 | 24.7 | -33.2 | 0 | 0 | 0 | 113.6 | R1502 | R1502-P1614 PolarHBondContact NH1-O 3.3Š|
| 1615 | N | 81.9 | Confident | 89.2 | Confident | 128 Ų | 128 | 43.1 Ų | 43.1 | 68% | 0.684 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -10.6 | 178.4 | -57.7 | -53.3 | 0 | 0 | 0 | 113.3 | D1613 | D1613-N1615 PolarHBondContact O-N 3.26Å; D1613-N1615 VanDerWaalsContact O-N 3.14Å; D1613-N1615 PolarHBondContact OD1-N 3.16Å; D1613-N1615 PolarHBondContact OD1-ND2 3.25Å |
| 1616 | S | 86.1 | Confident | 89.5 | Confident | 33 Ų | 33 | 41.5 Ų | 41.5 | 23% | 0.231 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -77.1 | 153 | 174.3 | -72.9 | 0 | 0 | 0 | 0 | 111.1 | R1502 L1610 D1613 | R1502-S1616 PolarHBondContact NH2-O 3.37Å; L1610-S1616 WeakPolarHBondContact O-CB 3.39Å; D1613-S1616 WeakPolarHBondContact O-CB 3.49Å; D1613-S1616 PolarHBondContact O-N 2.9Å; D1613-S1616 VanDerWaalsContact O-N 3.08Å; D1613-S1616 PolarHBondContact OD2-N 3.02Å; D1613-S1616 PolarHBondContact OD2-OG 3.29Å |
| 1617 | L | 86.6 | Confident | 89.5 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 10% | 0.099 | 23% | 0.229 | C | C | . | . | trans | 54.4 | 67.8 | 178.1 | -58.7 | 172.5 | 0 | 0 | 0 | 113.4 | R1502 Y1607 L1610 N1619 L1620 D1623 L1624 | R1502-L1617 PolarHBondContact NH2-O 3.48Å; Y1607-L1617 HydrophobicContact CD2-CD1 4Å; L1610-L1617 HydrophobicContact CB-CD1 3.98Å; L1610-L1617 HydrophobicContact CB-CG 4.33Å; L1610-L1617 HydrophobicContact CD1-CD1 4.23Å; L1610-L1617 HydrophobicContact CD1-CD2 4.04Å; L1610-L1617 HydrophobicContact CD1-CG 4.27Å; L1617-N1619 VanDerWaalsContact C-N 3.31Å; L1617-N1619 PolarHBondContact O-N 3.08Å; L1617-L1620 HydrophobicContact CB-CD1 4.42Å; L1617-L1620 HydrophobicContact CD1-CD1 3.69Å; L1617-D1623 HydrophobicContact CD2-CB 3.88Å; L1617-L1624 HydrophobicContact CD1-CD1 4.47Å; L1617-L1624 HydrophobicContact CD2-CB 4.28Å | ||
| 1618 | S | 86.9 | Confident | 89.5 | Confident | 70 Ų | 70 | 39.5 Ų | 39.5 | 49% | 0.49 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -49.8 | -178.6 | 61.7 | 0 | 0 | 0 | 0 | 112.6 | W1505 D1623 | W1505-S1618 VanDerWaalsContact CZ3-O 3.29Å; W1505-S1618 WeakPolarHBondContact CZ3-O 3.46Å; S1618-D1623 PolarHBondContact N-OD2 3.06Å; S1618-D1623 PolarHBondContact OG-OD2 3Å |
| 1619 | N | 88.2 | Confident | 89.6 | Confident | 60 Ų | 60 | 36.7 Ų | 36.7 | 32% | 0.321 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 93.3 | 170.4 | -65.6 | -19.1 | 0 | 0 | 0 | 108.4 | W1505 L1617 D1621 Q1622 D1623 | W1505-N1619 WeakPolarHBondContact CH2-OD1 3.47Å; L1617-N1619 VanDerWaalsContact C-N 3.31Å; L1617-N1619 PolarHBondContact O-N 3.08Å; N1619-D1621 VanDerWaalsContact C-N 3.32Å; N1619-D1621 PolarHBondContact O-N 3.25Å; N1619-Q1622 HydrophobicContact CB-CB 4.18Å; N1619-Q1622 PolarHBondContact O-N 2.95Å; N1619-D1623 PolarHBondContact N-OD2 3.43Å; N1619-D1623 VanDerWaalsContact O-CB 3.3Å; N1619-D1623 WeakPolarHBondContact O-CB 3.47Å; N1619-D1623 VanDerWaalsContact O-CG 3.22Å; N1619-D1623 PolarHBondContact O-N 3.02Å |
| 1620 | L | 91.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -51.9 | -45.1 | -170.6 | 168.9 | 60 | 0 | 0 | 0 | 114.2 | W1505 Y1607 L1617 Q1622 L1624 | W1505-L1620 HydrophobicContact CB-CB 3.98Å; W1505-L1620 HydrophobicContact CB-CD2 4.48Å; W1505-L1620 HydrophobicContact CB-CG 4.43Å; W1505-L1620 HydrophobicContact CE3-CB 4.35Å; Y1607-L1620 HydrophobicContact CD2-CD1 3.45Å; Y1607-L1620 VanDerWaalsContact CD2-CD1 3.45Å; Y1607-L1620 HydrophobicContact CD2-CD2 4.27Å; Y1607-L1620 HydrophobicContact CE2-CD1 3.79Å; Y1607-L1620 HydrophobicContact CE2-CD2 3.83Å; L1617-L1620 HydrophobicContact CB-CD1 4.42Å; L1617-L1620 HydrophobicContact CD1-CD1 3.69Å; L1620-Q1622 PolarHBondContact O-N 3.04Å; L1620-L1624 HydrophobicContact CD1-CB 4.23Å; L1620-L1624 HydrophobicContact CD1-CD2 4.2Å; L1620-L1624 WeakPolarHBondContact O-CB 3.31Å; L1620-L1624 PolarHBondContact O-N 3.15Å |
| 1621 | D | 91.2 | Very high | 89.6 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.027 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.4 | -19.8 | -177.2 | 60 | -36.1 | 0 | 0 | 0 | 114 | W1505 K1508 S1584 N1619 P1625 | W1505-D1621 HydrophobicContact CB-CB 3.93Å; W1505-D1621 HydrophobicContact CG-CB 4.32Å; K1508-D1621 HydrophobicContact CB-CB 4.16Å; K1508-D1621 HydrophobicContact CD-CB 4.42Å; S1584-D1621 WeakPolarHBondContact CB-OD2 3.3Å; S1584-D1621 PolarHBondContact OG-OD2 3.35Å; N1619-D1621 VanDerWaalsContact C-N 3.32Å; N1619-D1621 PolarHBondContact O-N 3.25Å; D1621-P1625 WeakPolarHBondContact O-CD 3.41Å; D1621-P1625 WeakPolarHBondContact O-CG 3.44Å |
| 1622 | Q | 93.6 | Very high | 89.8 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 5% | 0.051 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -105.6 | -46.3 | -179.5 | -172.9 | -173.7 | -99.3 | 0 | 0 | 112 | Y1581 H1582 N1619 L1620 P1625 N1626 | Y1581-Q1622 HydrophobicContact CE1-CG 4.24Å; Y1581-Q1622 VanDerWaalsContact CE1-NE2 3.3Å; Y1581-Q1622 PolarHBondContact OH-NE2 3.21Å; H1582-Q1622 WeakPolarHBondContact O-CG 3.43Å; N1619-Q1622 HydrophobicContact CB-CB 4.18Å; N1619-Q1622 PolarHBondContact O-N 2.95Å; L1620-Q1622 PolarHBondContact O-N 3.04Å; Q1622-P1625 WeakPolarHBondContact O-CD 3.47Å; Q1622-N1626 PolarHBondContact O-N 2.89Å; Q1622-N1626 PolarHBondContact O-ND2 3.18Å |
| 1623 | D | 95 | Very high | 90.2 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.2 | -36.7 | -173.8 | -63.5 | 2.3 | 0 | 0 | 0 | 110.3 | W1572 Y1581 L1617 S1618 N1619 N1626 N1627 | W1572-D1623 HydrophobicContact CH2-CB 4.12Å; W1572-D1623 WeakPolarHBondContact CH2-O 3.28Å; W1572-D1623 HydrophobicContact CZ2-CB 3.89Å; Y1581-D1623 PolarHBondContact OH-OD1 3.4Å; L1617-D1623 HydrophobicContact CD2-CB 3.88Å; S1618-D1623 PolarHBondContact N-OD2 3.06Å; S1618-D1623 PolarHBondContact OG-OD2 3Å; N1619-D1623 PolarHBondContact N-OD2 3.43Å; N1619-D1623 VanDerWaalsContact O-CB 3.3Å; N1619-D1623 WeakPolarHBondContact O-CB 3.47Å; N1619-D1623 VanDerWaalsContact O-CG 3.22Å; N1619-D1623 PolarHBondContact O-N 3.02Å; D1623-N1626 PolarHBondContact O-N 2.89Å; D1623-N1627 VanDerWaalsContact O-CB 3.24Å; D1623-N1627 WeakPolarHBondContact O-CB 3.37Å; D1623-N1627 PolarHBondContact O-N 3.27Å |
| 1624 | L | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.3 | -49.4 | -177.6 | -178 | 69.5 | 0 | 0 | 0 | 112.9 | I1509 L1510 L1603 Q1606 L1617 L1620 N1626 N1627 M1628 | I1509-L1624 HydrophobicContact CG2-CD2 4.28Å; L1510-L1624 HydrophobicContact CD2-CD2 3.52Å; L1603-L1624 HydrophobicContact CB-CD2 4.29Å; L1603-L1624 HydrophobicContact CD2-CD2 4.11Å; L1603-L1624 HydrophobicContact CD2-CG 3.94Å; Q1606-L1624 HydrophobicContact CB-CD1 4.24Å; Q1606-L1624 HydrophobicContact CG-CD1 4.09Å; L1617-L1624 HydrophobicContact CD1-CD1 4.47Å; L1617-L1624 HydrophobicContact CD2-CB 4.28Å; L1620-L1624 HydrophobicContact CD1-CB 4.23Å; L1620-L1624 HydrophobicContact CD1-CD2 4.2Å; L1620-L1624 WeakPolarHBondContact O-CB 3.31Å; L1620-L1624 PolarHBondContact O-N 3.15Å; L1624-N1626 PolarHBondContact O-N 2.98Å; L1624-N1627 PolarHBondContact O-N 3.01Å; L1624-M1628 HydrophobicContact CD1-CG 4.43Å; L1624-M1628 WeakPolarHBondContact O-CB 3.37Å; L1624-M1628 WeakPolarHBondContact O-CG 3.25Å; L1624-M1628 PolarHBondContact O-N 3.13Å |
| 1625 | P | 95.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.1 | -45.2 | 172.6 | -26.4 | 35.2 | 0 | 0 | 0 | 113.1 | I1509 Y1549 D1621 Q1622 N1627 M1628 I1629 I1634 | I1509-P1625 HydrophobicContact CD1-CG 3.88Å; I1509-P1625 HydrophobicContact CG1-CG 3.92Å; Y1549-P1625 HydrophobicContact CE2-CB 4.18Å; D1621-P1625 WeakPolarHBondContact O-CD 3.41Å; D1621-P1625 WeakPolarHBondContact O-CG 3.44Å; Q1622-P1625 WeakPolarHBondContact O-CD 3.47Å; P1625-N1627 VanDerWaalsContact C-N 3.31Å; P1625-N1627 PolarHBondContact O-N 3Å; P1625-M1628 CarbonylContact O-C 3.58Å; P1625-M1628 PolarHBondContact O-N 3.21Å; P1625-M1628 VanDerWaalsContact O-N 3.09Å; P1625-I1629 PolarHBondContact O-N 3.39Å; P1625-I1634 HydrophobicContact CB-CD1 3.96Å |
| 1626 | N | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.1 | -34.7 | 179.5 | -74.9 | -59.3 | 0 | 0 | 0 | 112.2 | W1572 Y1581 H1582 Q1622 D1623 L1624 M1628 I1629 | W1572-N1626 HydrophobicContact CH2-CB 4.01Å; W1572-N1626 HydrophobicContact CZ3-CB 3.7Å; Y1581-N1626 HydrophobicContact CD2-CB 3.87Å; Y1581-N1626 HydrophobicContact CE2-CB 3.57Å; Y1581-N1626 WeakPolarHBondContact CE2-ND2 3.32Å; H1582-N1626 PolarHBondContact N-OD1 3.34Å; H1582-N1626 PolarHBondContact ND1-OD1 3.48Å; H1582-N1626 PolarHBondContact O-ND2 3.05Å; Q1622-N1626 PolarHBondContact O-N 2.89Å; Q1622-N1626 PolarHBondContact O-ND2 3.18Å; D1623-N1626 PolarHBondContact O-N 2.89Å; L1624-N1626 PolarHBondContact O-N 2.98Å; N1626-M1628 VanDerWaalsContact C-N 3.34Å; N1626-I1629 WeakPolarHBondContact O-CB 3.49Å; N1626-I1629 VanDerWaalsContact O-CG2 3.27Å; N1626-I1629 WeakPolarHBondContact O-CG2 3.38Å |
| 1627 | N | 94.4 | Very high | 92.8 | Very high | 17 Ų | 17 | 29.1 Ų | 29.1 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.4 | -39.7 | 172.4 | -174.3 | -100 | 0 | 0 | 0 | 111.2 | Y1571 W1572 H1575 Q1606 D1623 L1624 P1625 I1629 | Y1571-N1627 PolarHBondContact OH-ND2 3.22Å; W1572-N1627 HydrophobicContact CH2-CB 4.38Å; H1575-N1627 PolarHBondContact NE2-O 3.07Å; Q1606-N1627 PolarHBondContact NE2-OD1 3.43Å; D1623-N1627 VanDerWaalsContact O-CB 3.24Å; D1623-N1627 WeakPolarHBondContact O-CB 3.37Å; D1623-N1627 PolarHBondContact O-N 3.27Å; L1624-N1627 PolarHBondContact O-N 3.01Å; P1625-N1627 VanDerWaalsContact C-N 3.31Å; P1625-N1627 PolarHBondContact O-N 3Å; N1627-I1629 VanDerWaalsContact C-N 3.35Å; N1627-I1629 PolarHBondContact O-N 3.27Å |
| 1628 | M | 94.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.015 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -86.8 | 3.9 | -176.8 | -71.5 | -65.4 | -79.9 | 0 | 0 | 114.9 | R1602 L1603 Q1606 L1624 P1625 N1626 H1630 Q1631 V1632 | R1602-M1628 HydrophobicContact CB-CE 4Å; L1603-M1628 HydrophobicContact CD2-CB 4.23Å; L1603-M1628 HydrophobicContact CD2-CG 4.18Å; Q1606-M1628 HydrophobicContact CB-CE 4.01Å; Q1606-M1628 HydrophobicContact CB-CG 4.14Å; Q1606-M1628 HydrophobicContact CB-SD 3.64Å; Q1606-M1628 HydrophobicContact CG-CE 4.47Å; Q1606-M1628 HydrophobicContact CG-CG 3.94Å; Q1606-M1628 HydrophobicContact CG-SD 3.45Å; Q1606-M1628 WeakPolarHBondContact CG-SD 3.35Å; L1624-M1628 HydrophobicContact CD1-CG 4.43Å; L1624-M1628 WeakPolarHBondContact O-CB 3.37Å; L1624-M1628 WeakPolarHBondContact O-CG 3.25Å; L1624-M1628 PolarHBondContact O-N 3.13Å; P1625-M1628 CarbonylContact O-C 3.58Å; P1625-M1628 PolarHBondContact O-N 3.21Å; P1625-M1628 VanDerWaalsContact O-N 3.09Å; N1626-M1628 VanDerWaalsContact C-N 3.34Å; M1628-H1630 PolarHBondContact O-N 3.25Å; M1628-Q1631 HydrophobicContact CE-CB 4.01Å; M1628-Q1631 HydrophobicContact CE-CG 4.47Å; M1628-Q1631 PolarHBondContact O-N 3.02Å; M1628-V1632 HydrophobicContact CE-CG2 4.34Å; M1628-V1632 PolarHBondContact O-N 2.76Å |
| 1629 | I | 92.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -25 | -173.5 | -164.8 | 162.8 | 0 | 0 | 0 | 115 | L1576 R1579 P1625 N1626 N1627 V1632 I1634 | L1576-I1629 HydrophobicContact CD2-CG2 4.47Å; R1579-I1629 HydrophobicContact CB-CD1 4.1Å; R1579-I1629 PolarHBondContact NH1-O 3.31Å; P1625-I1629 PolarHBondContact O-N 3.39Å; N1626-I1629 WeakPolarHBondContact O-CB 3.49Å; N1626-I1629 VanDerWaalsContact O-CG2 3.27Å; N1626-I1629 WeakPolarHBondContact O-CG2 3.38Å; N1627-I1629 VanDerWaalsContact C-N 3.35Å; N1627-I1629 PolarHBondContact O-N 3.27Å; I1629-V1632 WeakPolarHBondContact CA-O 3.42Å; I1629-I1634 HydrophobicContact CB-CD1 4.39Å; I1629-I1634 HydrophobicContact CD1-CD1 4.24Å; I1629-I1634 HydrophobicContact CD1-CG1 4.38Å; I1629-I1634 HydrophobicContact CG1-CB 4.41Å; I1629-I1634 HydrophobicContact CG1-CD1 4.16Å; I1629-I1634 HydrophobicContact CG1-CG1 3.99Å |
| 1630 | H | 91.1 | Very high | 93.8 | Very high | 99 Ų | 99 | 32.1 Ų | 32.1 | 46% | 0.458 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -27.7 | 178.3 | -59.4 | -59.6 | 0 | 0 | 0 | 113.3 | H1575 M1628 | H1575-H1630 AromaticContact NE2-CD2 3.98Å; H1575-H1630 PolarHBondContact O-NE2 3.49Å; M1628-H1630 PolarHBondContact O-N 3.25Å |
| 1631 | Q | 90 | Very high | 94 | Very high | 112 Ų | 112 | 32.3 Ų | 32.3 | 52% | 0.523 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -31.2 | -179.2 | -62.2 | -173.7 | 27.7 | 0 | 0 | 112.9 | R1602 M1628 | R1602-Q1631 PolarHBondContact NH1-O 2.89Å; M1628-Q1631 HydrophobicContact CE-CB 4.01Å; M1628-Q1631 HydrophobicContact CE-CG 4.47Å; M1628-Q1631 PolarHBondContact O-N 3.02Å |
| 1632 | V | 93 | Very high | 94.1 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -124.5 | 102.6 | 176.7 | -173.4 | 0 | 0 | 0 | 0 | 106.6 | P1548 Y1549 A1599 R1602 M1628 I1629 | P1548-V1632 HydrophobicContact CG-CG1 3.64Å; Y1549-V1632 HydrophobicContact CE1-CG1 3.49Å; Y1549-V1632 VanDerWaalsContact CE1-CG1 3.49Å; Y1549-V1632 WeakPolarHBondContact OH-CG1 3.33Å; A1599-V1632 HydrophobicContact CB-CG1 4.02Å; R1602-V1632 HydrophobicContact CB-CG2 4.24Å; M1628-V1632 HydrophobicContact CE-CG2 4.34Å; M1628-V1632 PolarHBondContact O-N 2.76Å; I1629-V1632 WeakPolarHBondContact CA-O 3.42Å |
| 1633 | P | 92.8 | Very high | 94.2 | Very high | 60 Ų | 60 | 32.2 Ų | 32.2 | 39% | 0.39 | 17% | 0.166 | S | C | . | . | trans | -67.1 | 146.8 | -173.1 | 25.6 | -32.4 | 0 | 0 | 0 | 111.4 | A1547 P1548 | A1547-P1633 HydrophobicContact CB-CB 4.39Å; A1547-P1633 HydrophobicContact CB-CG 4.35Å; P1548-P1633 WeakPolarHBondContact CD-O 3.25Å | ||
| 1634 | I | 95.3 | Very high | 94.1 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 11% | 0.108 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 126.9 | 176.6 | -50.6 | -168.5 | 0 | 0 | 0 | 108.3 | Y1549 Y1551 P1625 I1629 | Y1549-I1634 HydrophobicContact CD2-CG1 4.25Å; Y1549-I1634 HydrophobicContact CD2-CG2 4.33Å; Y1549-I1634 HydrophobicContact CE2-CB 4.36Å; Y1549-I1634 HydrophobicContact CE2-CD1 3.86Å; Y1549-I1634 HydrophobicContact CE2-CG1 3.55Å; Y1549-I1634 HydrophobicContact CE2-CG2 4.39Å; Y1551-I1634 HydrophobicContact CD2-CG2 4.1Å; Y1551-I1634 HydrophobicContact CG-CG2 4.31Å; P1625-I1634 HydrophobicContact CB-CD1 3.96Å; I1629-I1634 HydrophobicContact CB-CD1 4.39Å; I1629-I1634 HydrophobicContact CD1-CD1 4.24Å; I1629-I1634 HydrophobicContact CD1-CG1 4.38Å; I1629-I1634 HydrophobicContact CG1-CB 4.41Å; I1629-I1634 HydrophobicContact CG1-CD1 4.16Å; I1629-I1634 HydrophobicContact CG1-CG1 3.99Å |
| 1635 | K | 96.2 | Very high | 93.9 | Very high | 65 Ų | 65 | 33.9 Ų | 33.9 | 28% | 0.283 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 118.2 | 166.5 | 177.5 | 66.8 | 176.9 | -176.4 | 0 | 109.1 | L1544 D1545 A1547 Y1549 G1550 Y1551 L1637 | L1544-K1635 HydrophobicContact CB-CB 4.42Å; L1544-K1635 HydrophobicContact CD2-CB 4.29Å; L1544-K1635 HydrophobicContact CD2-CG 4.23Å; D1545-K1635 IonicContact OD2-NZ 3.13Å; D1545-K1635 PolarHBondContact OD2-NZ 2.94Å; A1547-K1635 HydrophobicContact CB-CB 4.14Å; Y1549-K1635 PolarHBondContact O-N 2.88Å; Y1549-K1635 VanDerWaalsContact O-N 3.09Å; G1550-K1635 CarbonylContact C-O 3.58Å; G1550-K1635 WeakPolarHBondContact CA-O 3.31Å; Y1551-K1635 PolarHBondContact N-O 2.8Å; K1635-L1637 PolarHBondContact O-N 3.25Å |
| 1636 | S | 95.9 | Very high | 93.7 | Very high | 51 Ų | 51 | 34 Ų | 34 | 36% | 0.357 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 118.8 | 172.2 | -55.6 | 0 | 0 | 0 | 0 | 109.9 | Y1551 H1582 | Y1551-S1636 WeakPolarHBondContact O-CA 3.29Å; H1582-S1636 PolarHBondContact NE2-OG 3.15Å |
| 1637 | L | 95.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 152.3 | 176.3 | -62.2 | 175.8 | 0 | 0 | 0 | 110.8 | L1539 L1542 G1550 Y1551 T1552 P1553 V1588 K1635 | L1539-L1637 HydrophobicContact CD2-CD1 3.83Å; L1539-L1637 HydrophobicContact CD2-CD2 3.96Å; L1542-L1637 HydrophobicContact CD2-CD2 3.31Å; G1550-L1637 WeakPolarHBondContact O-CD1 3.44Å; Y1551-L1637 PolarHBondContact O-N 3.42Å; T1552-L1637 HydrophobicContact CG2-CB 3.75Å; T1552-L1637 HydrophobicContact CG2-CD1 4Å; T1552-L1637 HydrophobicContact CG2-CG 4.49Å; P1553-L1637 VanDerWaalsContact CD-O 3.26Å; P1553-L1637 WeakPolarHBondContact CD-O 3.44Å; V1588-L1637 HydrophobicContact CG1-CD1 4.47Å; V1588-L1637 HydrophobicContact CG1-CD2 4.2Å; K1635-L1637 PolarHBondContact O-N 3.25Å |
| 1638 | P | 94.7 | Very high | 93.4 | Very high | 59 Ų | 59 | 35.2 Ų | 35.2 | 38% | 0.383 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -54.1 | 140 | 174.8 | -25.2 | 32.2 | 0 | 0 | 0 | 112.8 | E1640 W1641 | P1638-E1640 HydrophobicContact CB-CG 3.79Å; P1638-E1640 PolarHBondContact O-N 3.45Å; P1638-E1640 VanDerWaalsContact O-N 3.1Å; P1638-W1641 WeakPolarHBondContact O-CB 3.48Å; P1638-W1641 PolarHBondContact O-N 3.27Å |
| 1639 | Q | 92.4 | Very high | 93.3 | Very high | 71 Ų | 71 | 36.6 Ų | 36.6 | 33% | 0.332 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -59.8 | -25.5 | -176.4 | -168.5 | 65.9 | 61 | 0 | 0 | 113.6 | P1553 W1641 L1642 | P1553-Q1639 PolarHBondContact O-NE2 3.39Å; Q1639-W1641 PolarHBondContact O-N 3.09Å; Q1639-L1642 PolarHBondContact NE2-O 3.24Å; Q1639-L1642 CarbonylContact O-C 3.51Å; Q1639-L1642 PolarHBondContact O-N 3.28Å; Q1639-L1642 VanDerWaalsContact O-N 3.1Å |
| 1640 | E | 94.3 | Very high | 93.3 | Very high | 81 Ų | 81 | 41.2 Ų | 41.2 | 38% | 0.379 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -60.1 | -23.2 | 175.4 | 52.6 | 176.8 | -155.8 | 0 | 0 | 113.6 | P1638 L1642 K1657 | P1638-E1640 HydrophobicContact CB-CG 3.79Å; P1638-E1640 PolarHBondContact O-N 3.45Å; P1638-E1640 VanDerWaalsContact O-N 3.1Å; E1640-L1642 PolarHBondContact O-N 2.79Å; E1640-K1657 HydrophobicContact CB-CG 4.37Å; E1640-K1657 HydrophobicContact CG-CD 4.15Å; E1640-K1657 HydrophobicContact CG-CG 4.48Å; E1640-K1657 WeakPolarHBondContact O-CB 3.37Å; E1640-K1657 PolarHBondContact O-N 3.42Å; E1640-K1657 WeakPolarHBondContact OE1-CE 3.46Å; E1640-K1657 IonicContact OE1-NZ 3.92Å; E1640-K1657 PolarHBondContact OE1-NZ 2.71Å |
| 1641 | W | 95.2 | Very high | 93.3 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 3% | 0.027 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -77.6 | 3.4 | 175.3 | -73.7 | 108.5 | 0 | 0 | 0 | 114.4 | A1534 L1536 E1538 L1539 T1552 L1586 P1638 Q1639 K1657 T1658 | A1534-W1641 HydrophobicContact CB-CH2 4.26Å; A1534-W1641 HydrophobicContact CB-CZ3 4.23Å; L1536-W1641 HydrophobicContact CD2-CZ3 3.94Å; E1538-W1641 HydrophobicContact CB-CH2 4.03Å; E1538-W1641 HydrophobicContact CB-CZ2 3.71Å; L1539-W1641 HydrophobicContact CB-CH2 4.38Å; L1539-W1641 HydrophobicContact CB-CZ2 4.42Å; L1539-W1641 HydrophobicContact CD1-CD2 3.55Å; L1539-W1641 HydrophobicContact CD1-CE3 3.26Å; L1539-W1641 HydrophobicContact CD1-CG 4.34Å; L1539-W1641 HydrophobicContact CD1-CH2 3.71Å; L1539-W1641 HydrophobicContact CD1-CZ2 3.97Å; L1539-W1641 HydrophobicContact CD1-CZ3 3.36Å; L1539-W1641 HydrophobicContact CG-CD2 3.92Å; L1539-W1641 HydrophobicContact CG-CE3 4.06Å; L1539-W1641 HydrophobicContact CG-CH2 3.89Å; L1539-W1641 HydrophobicContact CG-CZ2 3.73Å; L1539-W1641 HydrophobicContact CG-CZ3 4.07Å; T1552-W1641 HydrophobicContact CG2-CB 3.71Å; L1586-W1641 HydrophobicContact CD2-CB 3.98Å; L1586-W1641 HydrophobicContact CD2-CE3 4.25Å; L1586-W1641 WeakPolarHBondContact CD2-O 3.48Å; P1638-W1641 WeakPolarHBondContact O-CB 3.48Å; P1638-W1641 PolarHBondContact O-N 3.27Å; Q1639-W1641 PolarHBondContact O-N 3.09Å; W1641-K1657 HydrophobicContact CD2-CB 4.12Å; W1641-K1657 HydrophobicContact CD2-CD 3.76Å; W1641-K1657 HydrophobicContact CE3-CB 3.69Å; W1641-K1657 HydrophobicContact CE3-CD 4.01Å; W1641-K1657 HydrophobicContact CE3-CG 4.5Å; W1641-K1657 HydrophobicContact CG-CD 4.4Å; W1641-K1657 HydrophobicContact CH2-CD 3.89Å; W1641-K1657 HydrophobicContact CZ2-CD 3.62Å; W1641-K1657 HydrophobicContact CZ3-CB 3.93Å; W1641-K1657 HydrophobicContact CZ3-CD 4.05Å; W1641-T1658 VanDerWaalsContact C-OG1 3.31Å; W1641-T1658 HydrophobicContact CE3-CG2 4.07Å; W1641-T1658 HydrophobicContact CZ3-CG2 4.41Å; W1641-T1658 PolarHBondContact O-OG1 3.07Å |
| 1642 | L | 93.9 | Very high | 93.4 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | trans | -155.2 | 114.8 | 170.1 | -171.8 | 84.3 | 0 | 0 | 0 | 110.9 | T1552 I1583 A1585 Q1639 E1640 D1660 | T1552-L1642 HydrophobicContact CG2-CB 3.91Å; I1583-L1642 HydrophobicContact CB-CD2 4.47Å; I1583-L1642 HydrophobicContact CD1-CD2 4.3Å; I1583-L1642 HydrophobicContact CG2-CD2 3.21Å; A1585-L1642 HydrophobicContact CB-CD1 4.05Å; Q1639-L1642 PolarHBondContact NE2-O 3.24Å; Q1639-L1642 CarbonylContact O-C 3.51Å; Q1639-L1642 PolarHBondContact O-N 3.28Å; Q1639-L1642 VanDerWaalsContact O-N 3.1Å; E1640-L1642 PolarHBondContact O-N 2.79Å; L1642-D1660 HydrophobicContact CD1-CB 3.77Å | ||
| 1643 | W | 95.5 | Very high | 93.4 | Very high | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -115.1 | 136.1 | 167.3 | -170.6 | 97.8 | 0 | 0 | 0 | 110.9 | E1645 C1648 S1649 S1652 L1653 A1656 T1658 I1659 D1660 I1678 | W1643-E1645 HydrophobicContact CH2-CB 3.59Å; W1643-E1645 HydrophobicContact CH2-CG 4.16Å; W1643-E1645 HydrophobicContact CZ3-CB 3.79Å; W1643-C1648 VanDerWaalsContact CD1-CB 3.41Å; W1643-C1648 HydrophobicContact CD2-CB 4.26Å; W1643-C1648 HydrophobicContact CG-CB 3.97Å; W1643-S1649 PolarHBondContact NE1-O 2.62Å; W1643-S1652 VanDerWaalsContact CD1-OG 3.29Å; W1643-S1652 PolarHBondContact NE1-OG 3.01Å; W1643-L1653 HydrophobicContact CD2-CB 4.25Å; W1643-L1653 HydrophobicContact CD2-CD1 3.66Å; W1643-L1653 HydrophobicContact CE3-CD1 3.63Å; W1643-L1653 HydrophobicContact CG-CD1 4.25Å; W1643-L1653 HydrophobicContact CH2-CB 4.47Å; W1643-L1653 HydrophobicContact CH2-CD1 4.02Å; W1643-L1653 HydrophobicContact CH2-CD2 4.19Å; W1643-L1653 HydrophobicContact CH2-CG 4.45Å; W1643-L1653 HydrophobicContact CZ2-CB 3.8Å; W1643-L1653 HydrophobicContact CZ2-CD1 4.08Å; W1643-L1653 HydrophobicContact CZ2-CD2 4.27Å; W1643-L1653 HydrophobicContact CZ2-CG 4.26Å; W1643-L1653 HydrophobicContact CZ3-CD1 3.81Å; W1643-A1656 HydrophobicContact CB-CB 3.42Å; W1643-A1656 VanDerWaalsContact CB-CB 3.42Å; W1643-A1656 HydrophobicContact CG-CB 3.99Å; W1643-T1658 PolarHBondContact N-O 3.37Å; W1643-I1659 HydrophobicContact CB-CG1 4.49Å; W1643-I1659 HydrophobicContact CE3-CG1 4.4Å; W1643-I1659 HydrophobicContact CE3-CG2 3.97Å; W1643-I1659 HydrophobicContact CZ3-CG2 4.35Å; W1643-I1659 CarbonylContact O-C 3.56Å; W1643-I1659 WeakPolarHBondContact O-CA 3.35Å; W1643-D1660 PolarHBondContact O-N 2.89Å; W1643-I1678 HydrophobicContact CH2-CG2 4.37Å; W1643-I1678 HydrophobicContact CZ3-CG2 3.72Å |
| 1644 | C | 93 | Very high | 93.2 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | trans | -139.7 | 135.3 | 171 | 141.6 | 0 | 0 | 0 | 0 | 108.4 | T1646 W1647 C1648 D1660 C1662 | C1644-T1646 PolarHBondContact O-N 3.38Å; C1644-T1646 VanDerWaalsContact SG-CB 3.57Å; C1644-T1646 PolarHBondContact SG-N 3.04Å; C1644-W1647 HydrophobicContact CB-CE3 3.82Å; C1644-W1647 HydrophobicContact CB-CZ3 4.16Å; C1644-W1647 PolarHBondContact O-N 3.21Å; C1644-W1647 WeakPolarHBondContact SG-CZ3 3.31Å; C1644-C1648 VanDerWaalsContact O-CB 3.3Å; C1644-C1648 WeakPolarHBondContact O-CB 3.34Å; C1644-C1648 PolarHBondContact O-N 2.92Å; C1644-D1660 HydrophobicContact CB-CB 4.5Å; C1644-C1662 HydrophobicContact CB-CB 3.81Å; C1644-C1662 WeakPolarHBondContact CB-SG 3.12Å; C1644-C1662 WeakPolarHBondContact SG-CB 3.46Å; C1644-C1662 CovalentContact SG-SG 1.99Å; C1644-C1662 PolarHBondContact SG-SG 2.96Å | ||
| 1645 | E | 91.2 | Very high | 93.1 | Very high | 38 Ų | 38 | 51.5 Ų | 51.5 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -40.1 | -176.8 | -177.9 | 178 | -124.2 | 0 | 0 | 112.2 | R1558 W1643 W1647 R1677 I1678 | R1558-E1645 PolarHBondContact NE-O 3.43Å; R1558-E1645 PolarHBondContact NH2-O 3.37Å; R1558-E1645 VanDerWaalsContact NH2-O 3.11Å; W1643-E1645 HydrophobicContact CH2-CB 3.59Å; W1643-E1645 HydrophobicContact CH2-CG 4.16Å; W1643-E1645 HydrophobicContact CZ3-CB 3.79Å; E1645-W1647 VanDerWaalsContact C-N 3.34Å; E1645-W1647 PolarHBondContact O-N 3Å; E1645-R1677 IonicContact OE1-CZ 3Å; E1645-R1677 IonicContact OE1-NH1 3.68Å; E1645-R1677 PolarHBondContact OE1-NH1 2.83Å; E1645-R1677 IonicContact OE1-NH2 3.78Å; E1645-R1677 PolarHBondContact OE1-NH2 3.34Å; E1645-R1677 IonicContact OE2-CZ 3.72Å; E1645-R1677 IonicContact OE2-NH1 2.68Å; E1645-R1677 IonicContact OE2-NH2 3.56Å; E1645-R1677 PolarHBondContact OE2-NH2 2.93Å; E1645-I1678 HydrophobicContact CB-CD1 4.11Å |
| 1646 | T | 90.8 | Very high | 93 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -37.7 | -177.8 | -55.2 | 0 | 0 | 0 | 0 | 112.6 | M1561 C1644 C1662 N1663 | M1561-T1646 HydrophobicContact CE-CG2 3.6Å; M1561-T1646 VanDerWaalsContact CG-O 3.29Å; M1561-T1646 WeakPolarHBondContact CG-O 3.5Å; C1644-T1646 PolarHBondContact O-N 3.38Å; C1644-T1646 VanDerWaalsContact SG-CB 3.57Å; C1644-T1646 PolarHBondContact SG-N 3.04Å; T1646-C1662 PolarHBondContact OG1-SG 3.13Å; T1646-C1662 VanDerWaalsContact OG1-SG 3.4Å; T1646-N1663 PolarHBondContact OG1-O 3.49Å |
| 1647 | W | 91.8 | Very high | 92.9 | Very high | 39 Ų | 39 | 48.1 Ų | 48.1 | 15% | 0.148 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -28.2 | -171.9 | -58.6 | -63.1 | 0 | 0 | 0 | 114 | F1554 C1555 R1558 I1583 C1644 E1645 C1662 | F1554-W1647 AromaticContact CD1-CD2 3.83Å; F1554-W1647 HydrophobicContact CD1-CD2 3.83Å; F1554-W1647 AromaticContact CD1-CE3 3.96Å; F1554-W1647 HydrophobicContact CD1-CE3 3.96Å; F1554-W1647 HydrophobicContact CD1-CG 4.12Å; F1554-W1647 AromaticContact CE1-CD2 3.61Å; F1554-W1647 HydrophobicContact CE1-CD2 3.61Å; F1554-W1647 AromaticContact CE1-CE2 3.65Å; F1554-W1647 AromaticContact CE1-CE3 3.58Å; F1554-W1647 HydrophobicContact CE1-CE3 3.58Å; F1554-W1647 HydrophobicContact CE1-CG 4.34Å; F1554-W1647 AromaticContact CE1-CH2 3.85Å; F1554-W1647 HydrophobicContact CE1-CH2 3.85Å; F1554-W1647 AromaticContact CE1-CZ2 3.8Å; F1554-W1647 HydrophobicContact CE1-CZ2 3.8Å; F1554-W1647 AromaticContact CE1-CZ3 3.72Å; F1554-W1647 HydrophobicContact CE1-CZ3 3.72Å; F1554-W1647 HydrophobicContact CZ-CH2 4.46Å; C1555-W1647 HydrophobicContact CB-CB 3.85Å; R1558-W1647 VanDerWaalsContact CB-O 3.23Å; R1558-W1647 WeakPolarHBondContact CB-O 3.4Å; R1558-W1647 PolarHBondContact N-O 2.96Å; R1558-W1647 VanDerWaalsContact N-O 3.12Å; I1583-W1647 HydrophobicContact CD1-CZ3 4.22Å; C1644-W1647 HydrophobicContact CB-CE3 3.82Å; C1644-W1647 HydrophobicContact CB-CZ3 4.16Å; C1644-W1647 PolarHBondContact O-N 3.21Å; C1644-W1647 WeakPolarHBondContact SG-CZ3 3.31Å; E1645-W1647 VanDerWaalsContact C-N 3.34Å; E1645-W1647 PolarHBondContact O-N 3Å; W1647-C1662 HydrophobicContact CE3-CB 4.14Å; W1647-C1662 HydrophobicContact CH2-CB 3.63Å; W1647-C1662 HydrophobicContact CZ3-CB 3.28Å |
| 1648 | C | 93.2 | Very high | 92.9 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.02 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -93.4 | 157.3 | -179.8 | -67.7 | 0 | 0 | 0 | 0 | 113 | C1555 S1557 R1558 W1643 C1644 | C1555-C1648 HydrophobicContact CB-CB 4.04Å; C1555-C1648 WeakPolarHBondContact CB-SG 3.48Å; C1555-C1648 WeakPolarHBondContact SG-CA 3.45Å; C1555-C1648 WeakPolarHBondContact SG-CB 3.5Å; C1555-C1648 CovalentContact SG-SG 2.04Å; C1555-C1648 PolarHBondContact SG-SG 2.81Å; S1557-C1648 WeakPolarHBondContact OG-CA 3.17Å; R1558-C1648 PolarHBondContact NE-O 2.85Å; R1558-C1648 PolarHBondContact NH2-O 2.98Å; W1643-C1648 VanDerWaalsContact CD1-CB 3.41Å; W1643-C1648 HydrophobicContact CD2-CB 4.26Å; W1643-C1648 HydrophobicContact CG-CB 3.97Å; C1644-C1648 VanDerWaalsContact O-CB 3.3Å; C1644-C1648 WeakPolarHBondContact O-CB 3.34Å; C1644-C1648 PolarHBondContact O-N 2.92Å |
| 1649 | S | 92.3 | Very high | 92.9 | Very high | 33 Ų | 33 | 45.1 Ų | 45.1 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | trans | -76.8 | 151.8 | 175.2 | 43.7 | 0 | 0 | 0 | 0 | 110.5 | S1557 W1643 E1651 S1652 | S1557-S1649 PolarHBondContact OG-N 3.5Å; S1557-S1649 PolarHBondContact OG-OG 2.96Å; W1643-S1649 PolarHBondContact NE1-O 2.62Å; S1649-E1651 PolarHBondContact O-N 3.36Å; S1649-S1652 PolarHBondContact O-N 2.78Å; S1649-S1652 VanDerWaalsContact O-N 3.15Å; S1649-S1652 PolarHBondContact O-OG 2.89Å; S1649-S1652 PolarHBondContact OG-OG 3.37Å; S1649-S1652 VanDerWaalsContact OG-OG 3.11Å | ||
| 1650 | D | 91.7 | Very high | 92.9 | Very high | 102 Ų | 102 | 42.2 Ų | 42.2 | 55% | 0.545 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -62.7 | -33.7 | 177.4 | -57.5 | -32 | 0 | 0 | 0 | 111.6 | R1558 S1652 L1653 | R1558-D1650 IonicContact CZ-OD1 3.99Å; R1558-D1650 IonicContact NH2-OD1 2.79Å; R1558-D1650 PolarHBondContact NH2-OD1 3.38Å; R1558-D1650 IonicContact NH2-OD2 3.97Å; D1650-S1652 PolarHBondContact O-N 3.26Å; D1650-L1653 VanDerWaalsContact O-CB 3.22Å; D1650-L1653 WeakPolarHBondContact O-CB 3.29Å; D1650-L1653 PolarHBondContact O-N 2.9Å; D1650-L1653 VanDerWaalsContact O-N 3.11Å |
| 1651 | E | 91.2 | Very high | 92.7 | Very high | 176 Ų | 176 | 38.7 Ų | 38.7 | 82% | 0.822 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -58.9 | -32.9 | 176.4 | -63.5 | 175.9 | -175.2 | 0 | 0 | 113.3 | S1649 L1653 | S1649-E1651 PolarHBondContact O-N 3.36Å; E1651-L1653 VanDerWaalsContact C-N 3.31Å; E1651-L1653 PolarHBondContact O-N 3.04Å |
| 1652 | S | 92.1 | Very high | 92.4 | Very high | 36 Ų | 36 | 39.5 Ų | 39.5 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -79.7 | -12.4 | -178.9 | 55.4 | 0 | 0 | 0 | 0 | 113.2 | W1643 S1649 D1650 A1654 K1655 A1656 | W1643-S1652 VanDerWaalsContact CD1-OG 3.29Å; W1643-S1652 PolarHBondContact NE1-OG 3.01Å; S1649-S1652 PolarHBondContact O-N 2.78Å; S1649-S1652 VanDerWaalsContact O-N 3.15Å; S1649-S1652 PolarHBondContact O-OG 2.89Å; S1649-S1652 PolarHBondContact OG-OG 3.37Å; S1649-S1652 VanDerWaalsContact OG-OG 3.11Å; D1650-S1652 PolarHBondContact O-N 3.26Å; S1652-A1654 PolarHBondContact O-N 3.27Å; S1652-K1655 PolarHBondContact O-N 2.61Å; S1652-K1655 VanDerWaalsContact O-N 3.16Å; S1652-A1656 PolarHBondContact O-N 3.1Å |
| 1653 | L | 92.3 | Very high | 92 | Very high | 40 Ų | 40 | 44.9 Ų | 44.9 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -60.9 | -34.8 | 178.8 | 179.7 | 58.8 | 0 | 0 | 0 | 111.9 | W1643 D1650 E1651 K1655 A1656 I1659 | W1643-L1653 HydrophobicContact CD2-CB 4.25Å; W1643-L1653 HydrophobicContact CD2-CD1 3.66Å; W1643-L1653 HydrophobicContact CE3-CD1 3.63Å; W1643-L1653 HydrophobicContact CG-CD1 4.25Å; W1643-L1653 HydrophobicContact CH2-CB 4.47Å; W1643-L1653 HydrophobicContact CH2-CD1 4.02Å; W1643-L1653 HydrophobicContact CH2-CD2 4.19Å; W1643-L1653 HydrophobicContact CH2-CG 4.45Å; W1643-L1653 HydrophobicContact CZ2-CB 3.8Å; W1643-L1653 HydrophobicContact CZ2-CD1 4.08Å; W1643-L1653 HydrophobicContact CZ2-CD2 4.27Å; W1643-L1653 HydrophobicContact CZ2-CG 4.26Å; W1643-L1653 HydrophobicContact CZ3-CD1 3.81Å; D1650-L1653 VanDerWaalsContact O-CB 3.22Å; D1650-L1653 WeakPolarHBondContact O-CB 3.29Å; D1650-L1653 PolarHBondContact O-N 2.9Å; D1650-L1653 VanDerWaalsContact O-N 3.11Å; E1651-L1653 VanDerWaalsContact C-N 3.31Å; E1651-L1653 PolarHBondContact O-N 3.04Å; L1653-K1655 PolarHBondContact O-N 3.14Å; L1653-A1656 VanDerWaalsContact O-CB 3.28Å; L1653-A1656 WeakPolarHBondContact O-CB 3.4Å; L1653-A1656 PolarHBondContact O-N 3.22Å; L1653-I1659 HydrophobicContact CD1-CD1 3.64Å; L1653-I1659 HydrophobicContact CD1-CG1 3.98Å |
| 1654 | A | 89.5 | Confident | 91.4 | Very high | 93 Ų | 93 | 46.7 Ų | 46.7 | 77% | 0.769 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -66.6 | -24.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1652 | S1652-A1654 PolarHBondContact O-N 3.27Š|
| 1655 | K | 92.7 | Very high | 91 | Very high | 166 Ų | 166 | 50.1 Ų | 50.1 | 72% | 0.722 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -99.1 | -0.8 | 177.5 | -61.6 | -179.2 | -178.1 | 177.8 | 0 | 112.6 | S1652 L1653 K1657 | S1652-K1655 PolarHBondContact O-N 2.61Å; S1652-K1655 VanDerWaalsContact O-N 3.16Å; L1653-K1655 PolarHBondContact O-N 3.14Å; K1655-K1657 PolarHBondContact O-N 3.08Å |
| 1656 | A | 93.7 | Very high | 90.6 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | trans | -69.1 | 122.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111 | W1643 S1652 L1653 I1659 | W1643-A1656 HydrophobicContact CB-CB 3.42Å; W1643-A1656 VanDerWaalsContact CB-CB 3.42Å; W1643-A1656 HydrophobicContact CG-CB 3.99Å; S1652-A1656 PolarHBondContact O-N 3.1Å; L1653-A1656 VanDerWaalsContact O-CB 3.28Å; L1653-A1656 WeakPolarHBondContact O-CB 3.4Å; L1653-A1656 PolarHBondContact O-N 3.22Å; A1656-I1659 HydrophobicContact CB-CG1 4.17Å | ||
| 1657 | K | 94.9 | Very high | 90.2 | Very high | 35 Ų | 35 | 58.4 Ų | 58.4 | 15% | 0.152 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -80.3 | -34 | 172.9 | -67.9 | -172.4 | 169.7 | 173.5 | 0 | 111.8 | R1533 A1534 E1538 E1640 W1641 K1655 | R1533-K1657 PolarHBondContact N-O 2.96Å; A1534-K1657 HydrophobicContact CB-CB 3.63Å; A1534-K1657 HydrophobicContact CB-CD 3.96Å; A1534-K1657 HydrophobicContact CB-CG 3.7Å; A1534-K1657 PolarHBondContact N-O 3.04Å; E1538-K1657 IonicContact OE2-NZ 3.96Å; E1538-K1657 PolarHBondContact OE2-NZ 3.33Å; E1640-K1657 HydrophobicContact CB-CG 4.37Å; E1640-K1657 HydrophobicContact CG-CD 4.15Å; E1640-K1657 HydrophobicContact CG-CG 4.48Å; E1640-K1657 WeakPolarHBondContact O-CB 3.37Å; E1640-K1657 PolarHBondContact O-N 3.42Å; E1640-K1657 WeakPolarHBondContact OE1-CE 3.46Å; E1640-K1657 IonicContact OE1-NZ 3.92Å; E1640-K1657 PolarHBondContact OE1-NZ 2.71Å; W1641-K1657 HydrophobicContact CD2-CB 4.12Å; W1641-K1657 HydrophobicContact CD2-CD 3.76Å; W1641-K1657 HydrophobicContact CE3-CB 3.69Å; W1641-K1657 HydrophobicContact CE3-CD 4.01Å; W1641-K1657 HydrophobicContact CE3-CG 4.5Å; W1641-K1657 HydrophobicContact CG-CD 4.4Å; W1641-K1657 HydrophobicContact CH2-CD 3.89Å; W1641-K1657 HydrophobicContact CZ2-CD 3.62Å; W1641-K1657 HydrophobicContact CZ3-CB 3.93Å; W1641-K1657 HydrophobicContact CZ3-CD 4.05Å; K1655-K1657 PolarHBondContact O-N 3.08Å |
| 1658 | T | 94.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 151.8 | 170.2 | 71.7 | 0 | 0 | 0 | 0 | 110.4 | I1531 V1532 L1586 W1641 W1643 | I1531-T1658 CarbonylContact O-C 3.36Å; I1531-T1658 VanDerWaalsContact O-CA 3.26Å; I1531-T1658 WeakPolarHBondContact O-CA 3.47Å; V1532-T1658 HydrophobicContact CG1-CG2 4.32Å; V1532-T1658 HydrophobicContact CG2-CG2 4.12Å; L1586-T1658 HydrophobicContact CD2-CG2 4.15Å; W1641-T1658 VanDerWaalsContact C-OG1 3.31Å; W1641-T1658 HydrophobicContact CE3-CG2 4.07Å; W1641-T1658 HydrophobicContact CZ3-CG2 4.41Å; W1641-T1658 PolarHBondContact O-OG1 3.07Å; W1643-T1658 PolarHBondContact N-O 3.37Å |
| 1659 | I | 95 | Very high | 89.2 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 122.9 | 179.5 | -64.5 | 162.2 | 0 | 0 | 0 | 108.4 | Q1530 I1531 R1533 W1643 L1653 A1656 I1678 | Q1530-I1659 CarbonylContact C-O 3.59Å; Q1530-I1659 VanDerWaalsContact CA-O 3.27Å; Q1530-I1659 WeakPolarHBondContact CA-O 3.49Å; I1531-I1659 HydrophobicContact CB-CB 4.35Å; I1531-I1659 PolarHBondContact N-O 2.76Å; I1531-I1659 PolarHBondContact O-N 3.21Å; R1533-I1659 VanDerWaalsContact CZ-CD1 3.42Å; W1643-I1659 HydrophobicContact CB-CG1 4.49Å; W1643-I1659 HydrophobicContact CE3-CG1 4.4Å; W1643-I1659 HydrophobicContact CE3-CG2 3.97Å; W1643-I1659 HydrophobicContact CZ3-CG2 4.35Å; W1643-I1659 CarbonylContact O-C 3.56Å; W1643-I1659 WeakPolarHBondContact O-CA 3.35Å; L1653-I1659 HydrophobicContact CD1-CD1 3.64Å; L1653-I1659 HydrophobicContact CD1-CG1 3.98Å; A1656-I1659 HydrophobicContact CB-CG1 4.17Å; I1659-I1678 HydrophobicContact CG2-CG2 3.94Å |
| 1660 | D | 92.5 | Very high | 88.9 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 6% | 0.059 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 131.2 | 174.3 | 175 | 35.3 | 0 | 0 | 0 | 110.9 | Q1530 L1642 W1643 C1644 C1662 | Q1530-D1660 HydrophobicContact CG-CB 4.42Å; L1642-D1660 HydrophobicContact CD1-CB 3.77Å; W1643-D1660 PolarHBondContact O-N 2.89Å; C1644-D1660 HydrophobicContact CB-CB 4.5Å; D1660-C1662 PolarHBondContact O-N 3.27Å |
| 1661 | L | 90.2 | Very high | 88.6 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | trans | -86.9 | 59.6 | 179.1 | -64.9 | 172.9 | 0 | 0 | 0 | 111 | L1439 D1529 K1671 A1675 I1678 | L1439-L1661 HydrophobicContact CD2-CD1 4.4Å; D1529-L1661 HydrophobicContact CB-CB 4.27Å; D1529-L1661 HydrophobicContact CB-CD1 4.37Å; D1529-L1661 WeakPolarHBondContact O-CD1 3.23Å; D1529-L1661 WeakPolarHBondContact O-CG 3.45Å; L1661-K1671 WeakPolarHBondContact O-CE 3.38Å; L1661-A1675 HydrophobicContact CD1-CB 3.63Å; L1661-A1675 HydrophobicContact CD2-CB 4.21Å; L1661-I1678 HydrophobicContact CD2-CD1 4.12Å | ||
| 1662 | C | 88.2 | Confident | 88.4 | Confident | 24 Ų | 24 | 61.7 Ų | 61.7 | 16% | 0.162 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 146.8 | 179.4 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | C1644 T1646 W1647 D1660 | C1644-C1662 HydrophobicContact CB-CB 3.81Å; C1644-C1662 WeakPolarHBondContact CB-SG 3.12Å; C1644-C1662 WeakPolarHBondContact SG-CB 3.46Å; C1644-C1662 CovalentContact SG-SG 1.99Å; C1644-C1662 PolarHBondContact SG-SG 2.96Å; T1646-C1662 PolarHBondContact OG1-SG 3.13Å; T1646-C1662 VanDerWaalsContact OG1-SG 3.4Å; W1647-C1662 HydrophobicContact CE3-CB 4.14Å; W1647-C1662 HydrophobicContact CH2-CB 3.63Å; W1647-C1662 HydrophobicContact CZ3-CB 3.28Å; D1660-C1662 PolarHBondContact O-N 3.27Å |
| 1663 | N | 84.7 | Confident | 88.2 | Confident | 119 Ų | 119 | 63.6 Ų | 63.6 | 64% | 0.636 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 140.4 | 173.7 | -66.2 | -27.8 | 0 | 0 | 0 | 110.8 | T1646 K1671 | T1646-N1663 PolarHBondContact OG1-O 3.49Å; N1663-K1671 WeakPolarHBondContact OD1-CE 3.41Å |
| 1664 | N | 83.7 | Confident | 88 | Confident | 45 Ų | 45 | 62.3 Ų | 62.3 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -101.2 | 117.8 | 177 | -176.2 | -23.9 | 0 | 0 | 0 | 110.2 | R1666 T1667 | N1664-R1666 PolarHBondContact O-N 3.32Å; N1664-R1666 VanDerWaalsContact O-N 3.16Å; N1664-R1666 WeakPolarHBondContact OD1-CB 3.36Å; N1664-R1666 PolarHBondContact OD1-N 2.83Å; N1664-T1667 VanDerWaalsContact CB-OG1 3.3Å; N1664-T1667 WeakPolarHBondContact CB-OG1 3.11Å; N1664-T1667 VanDerWaalsContact CG-OG1 3.28Å; N1664-T1667 PolarHBondContact ND2-OG1 3.5Å; N1664-T1667 PolarHBondContact O-N 3.48Å |
| 1665 | P | 84.2 | Confident | 87.9 | Confident | 73 Ų | 73 | 57.9 Ų | 57.9 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14.4 | -178 | 27.6 | -33.9 | 0 | 0 | 0 | 113.6 | M1561 F1564 | M1561-P1665 HydrophobicContact CE-CG 3.53Å; F1564-P1665 HydrophobicContact CB-CG 4.47Å; F1564-P1665 HydrophobicContact CD1-CB 3.97Å; F1564-P1665 HydrophobicContact CD1-CG 3.95Å; F1564-P1665 HydrophobicContact CD2-CG 4.17Å; F1564-P1665 HydrophobicContact CE1-CB 3.91Å; F1564-P1665 HydrophobicContact CE1-CG 4.19Å; F1564-P1665 HydrophobicContact CE2-CG 4.39Å; F1564-P1665 HydrophobicContact CG-CB 4.47Å; F1564-P1665 HydrophobicContact CG-CG 3.94Å; F1564-P1665 HydrophobicContact CZ-CB 4.36Å; F1564-P1665 HydrophobicContact CZ-CG 4.4Å |
| 1666 | R | 83.5 | Confident | 87.8 | Confident | 145 Ų | 145 | 54 Ų | 54 | 55% | 0.547 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -16.2 | 176.3 | -70.5 | -174.2 | 164.1 | 158.8 | 5.5 | 113.8 | E1560 F1564 N1664 | E1560-R1666 PolarHBondContact O-NH1 3.19Å; E1560-R1666 PolarHBondContact O-NH2 3.19Å; F1564-R1666 HydrophobicContact CE2-CG 4.1Å; F1564-R1666 HydrophobicContact CZ-CG 4.31Å; N1664-R1666 PolarHBondContact O-N 3.32Å; N1664-R1666 VanDerWaalsContact O-N 3.16Å; N1664-R1666 WeakPolarHBondContact OD1-CB 3.36Å; N1664-R1666 PolarHBondContact OD1-N 2.83Å |
| 1667 | T | 81.9 | Confident | 87.7 | Confident | 70 Ų | 70 | 59 Ų | 59 | 43% | 0.429 | 30% | 0.298 | S | S | . | . | trans | -141 | 144.3 | -173 | 62.9 | 0 | 0 | 0 | 0 | 112 | N1664 | N1664-T1667 VanDerWaalsContact CB-OG1 3.3Å; N1664-T1667 WeakPolarHBondContact CB-OG1 3.11Å; N1664-T1667 VanDerWaalsContact CG-OG1 3.28Å; N1664-T1667 PolarHBondContact ND2-OG1 3.5Å; N1664-T1667 PolarHBondContact O-N 3.48Å | ||
| 1668 | K | 78.4 | Confident | 87.5 | Confident | 183 Ų | 183 | 58.2 Ų | 58.2 | 80% | 0.796 | 30% | 0.295 | S | S | * | . | trans | -99.4 | 34.9 | 176.9 | -62.6 | -174.4 | 178.5 | -178.3 | 0 | 113.2 | ||||
| 1669 | E | 85.9 | Confident | 87.2 | Confident | 73 Ų | 73 | 58.2 Ų | 58.2 | 34% | 0.341 | 30% | 0.295 | S | S | . | . | trans | -63.1 | 130.6 | 179.1 | -174.1 | 178.1 | -161.5 | 0 | 0 | 110.6 | T1673 A1674 R1677 | E1669-T1673 HydrophobicContact CG-CG2 4.45Å; E1669-T1673 WeakPolarHBondContact OE1-CG2 3.42Å; E1669-A1674 HydrophobicContact CG-CB 4.43Å; E1669-R1677 IonicContact OE1-NE 3.55Å; E1669-R1677 PolarHBondContact OE1-NE 3.49Å; E1669-R1677 IonicContact OE2-CZ 3.76Å; E1669-R1677 IonicContact OE2-NE 3.55Å; E1669-R1677 IonicContact OE2-NH2 2.8Å; E1669-R1677 PolarHBondContact OE2-NH2 3.48Å | ||
| 1670 | P | 85 | Confident | 86.9 | Confident | 87 Ų | 87 | 62.4 Ų | 62.4 | 57% | 0.565 | 32% | 0.322 | S | S | * | . | trans | -66.7 | 144.1 | 175.3 | -21 | 32.7 | 0 | 0 | 0 | 112.8 | L1672 T1673 A1674 | P1670-L1672 VanDerWaalsContact C-N 3.31Å; P1670-L1672 PolarHBondContact O-N 3.32Å; P1670-T1673 PolarHBondContact O-N 2.71Å; P1670-A1674 PolarHBondContact O-N 2.94Å; P1670-A1674 VanDerWaalsContact O-N 3.13Å | ||
| 1671 | K | 86.7 | Confident | 86.8 | Confident | 32 Ų | 32 | 64.1 Ų | 64.1 | 14% | 0.139 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -54.3 | -38.3 | -176.9 | -73.1 | -167.7 | 171 | -169.2 | 0 | 114.8 | Y1436 D1529 L1661 N1663 T1673 A1674 A1675 | Y1436-K1671 PolarHBondContact OH-NZ 3.48Å; D1529-K1671 IonicContact OD2-NZ 2.67Å; D1529-K1671 PolarHBondContact OD2-NZ 2.77Å; L1661-K1671 WeakPolarHBondContact O-CE 3.38Å; N1663-K1671 WeakPolarHBondContact OD1-CE 3.41Å; K1671-T1673 PolarHBondContact O-N 2.78Å; K1671-A1674 PolarHBondContact O-N 2.8Å; K1671-A1675 WeakPolarHBondContact O-CB 3.32Å; K1671-A1675 PolarHBondContact O-N 3.36Å |
| 1672 | L | 86.2 | Confident | 86.9 | Confident | 47 Ų | 47 | 64 Ų | 64 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 178.7 | -72 | 173.4 | 0 | 0 | 0 | 112.4 | L1435 L1439 P1670 A1675 M1676 W1682 | L1435-L1672 HydrophobicContact CD1-CD1 3.72Å; L1435-L1672 HydrophobicContact CD1-CD2 3.83Å; L1435-L1672 HydrophobicContact CD1-CG 3.62Å; L1439-L1672 HydrophobicContact CD2-CD2 4.45Å; P1670-L1672 VanDerWaalsContact C-N 3.31Å; P1670-L1672 PolarHBondContact O-N 3.32Å; L1672-A1675 PolarHBondContact O-N 2.95Å; L1672-M1676 WeakPolarHBondContact O-CG 3.26Å; L1672-M1676 PolarHBondContact O-N 3.1Å; L1672-W1682 HydrophobicContact CD2-CH2 3.71Å; L1672-W1682 HydrophobicContact CD2-CZ2 3.86Å |
| 1673 | T | 88.5 | Confident | 87.1 | Confident | 76 Ų | 76 | 65.3 Ų | 65.3 | 47% | 0.466 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.7 | -43.6 | 178.7 | -46.7 | 0 | 0 | 0 | 0 | 110.2 | E1669 P1670 K1671 A1675 M1676 R1677 | E1669-T1673 HydrophobicContact CG-CG2 4.45Å; E1669-T1673 WeakPolarHBondContact OE1-CG2 3.42Å; P1670-T1673 PolarHBondContact O-N 2.71Å; K1671-T1673 PolarHBondContact O-N 2.78Å; T1673-A1675 PolarHBondContact O-N 2.74Å; T1673-M1676 PolarHBondContact O-N 2.93Å; T1673-R1677 PolarHBondContact O-N 2.86Å |
| 1674 | A | 87.5 | Confident | 87.5 | Confident | 13 Ų | 13 | 63.7 Ų | 63.7 | 11% | 0.107 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.9 | -44 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1669 P1670 K1671 M1676 R1677 I1678 | E1669-A1674 HydrophobicContact CG-CB 4.43Å; P1670-A1674 PolarHBondContact O-N 2.94Å; P1670-A1674 VanDerWaalsContact O-N 3.13Å; K1671-A1674 PolarHBondContact O-N 2.8Å; A1674-M1676 PolarHBondContact O-N 3.4Å; A1674-R1677 PolarHBondContact O-N 3.49Å; A1674-I1678 HydrophobicContact CB-CD1 4.19Å; A1674-I1678 WeakPolarHBondContact O-CB 3.33Å; A1674-I1678 VanDerWaalsContact O-CG1 3.27Å; A1674-I1678 WeakPolarHBondContact O-CG1 3.26Å; A1674-I1678 PolarHBondContact O-N 3.39Å |
| 1675 | A | 88.4 | Confident | 88 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.5 | -49.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1661 K1671 L1672 T1673 R1677 A1679 W1682 | L1661-A1675 HydrophobicContact CD1-CB 3.63Å; L1661-A1675 HydrophobicContact CD2-CB 4.21Å; K1671-A1675 WeakPolarHBondContact O-CB 3.32Å; K1671-A1675 PolarHBondContact O-N 3.36Å; L1672-A1675 PolarHBondContact O-N 2.95Å; T1673-A1675 PolarHBondContact O-N 2.74Å; A1675-R1677 PolarHBondContact O-N 2.84Å; A1675-A1679 PolarHBondContact O-N 3Å; A1675-W1682 HydrophobicContact CB-CD2 4.03Å; A1675-W1682 HydrophobicContact CB-CG 4.12Å; A1675-W1682 HydrophobicContact CB-CZ2 4.47Å |
| 1676 | M | 89.9 | Confident | 88.4 | Confident | 85 Ų | 85 | 60.1 Ų | 60.1 | 42% | 0.419 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.2 | -30.6 | 179.8 | -64.8 | 177.9 | -174.9 | 0 | 0 | 112.7 | L1672 T1673 A1674 W1682 V1683 | L1672-M1676 WeakPolarHBondContact O-CG 3.26Å; L1672-M1676 PolarHBondContact O-N 3.1Å; T1673-M1676 PolarHBondContact O-N 2.93Å; A1674-M1676 PolarHBondContact O-N 3.4Å; M1676-W1682 HydrophobicContact CE-CE3 4.42Å; M1676-W1682 HydrophobicContact CE-CH2 4.4Å; M1676-W1682 HydrophobicContact CE-CZ3 3.67Å; M1676-W1682 HydrophobicContact CG-CE3 3.95Å; M1676-W1682 HydrophobicContact CG-CZ3 4.11Å; M1676-V1683 HydrophobicContact CB-CG2 4.26Å; M1676-V1683 HydrophobicContact CG-CG2 4.02Å |
| 1677 | R | 91.7 | Very high | 88.9 | Confident | 115 Ų | 115 | 60.1 Ų | 60.1 | 43% | 0.434 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -81 | -44.2 | -179.5 | -177.1 | 178.4 | 59.3 | 71.7 | -3.5 | 112.3 | E1645 E1669 T1673 A1674 A1675 | E1645-R1677 IonicContact OE1-CZ 3Å; E1645-R1677 IonicContact OE1-NH1 3.68Å; E1645-R1677 PolarHBondContact OE1-NH1 2.83Å; E1645-R1677 IonicContact OE1-NH2 3.78Å; E1645-R1677 PolarHBondContact OE1-NH2 3.34Å; E1645-R1677 IonicContact OE2-CZ 3.72Å; E1645-R1677 IonicContact OE2-NH1 2.68Å; E1645-R1677 IonicContact OE2-NH2 3.56Å; E1645-R1677 PolarHBondContact OE2-NH2 2.93Å; E1669-R1677 IonicContact OE1-NE 3.55Å; E1669-R1677 PolarHBondContact OE1-NE 3.49Å; E1669-R1677 IonicContact OE2-CZ 3.76Å; E1669-R1677 IonicContact OE2-NE 3.55Å; E1669-R1677 IonicContact OE2-NH2 2.8Å; E1669-R1677 PolarHBondContact OE2-NH2 3.48Å; T1673-R1677 PolarHBondContact O-N 2.86Å; A1674-R1677 PolarHBondContact O-N 3.49Å; A1675-R1677 PolarHBondContact O-N 2.84Å |
| 1678 | I | 89.9 | Confident | 89.5 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 9% | 0.092 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -76.4 | -40.5 | -174.6 | -67.2 | 169 | 0 | 0 | 0 | 111.1 | W1643 E1645 I1659 L1661 A1674 | W1643-I1678 HydrophobicContact CH2-CG2 4.37Å; W1643-I1678 HydrophobicContact CZ3-CG2 3.72Å; E1645-I1678 HydrophobicContact CB-CD1 4.11Å; I1659-I1678 HydrophobicContact CG2-CG2 3.94Å; L1661-I1678 HydrophobicContact CD2-CD1 4.12Å; A1674-I1678 HydrophobicContact CB-CD1 4.19Å; A1674-I1678 WeakPolarHBondContact O-CB 3.33Å; A1674-I1678 VanDerWaalsContact O-CG1 3.27Å; A1674-I1678 WeakPolarHBondContact O-CG1 3.26Å; A1674-I1678 PolarHBondContact O-N 3.39Å |
| 1679 | A | 88.6 | Confident | 90.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -128.3 | 89.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | I1531 A1675 E1681 W1682 | I1531-A1679 HydrophobicContact CD1-CB 3.37Å; A1675-A1679 PolarHBondContact O-N 3Å; A1679-E1681 PolarHBondContact O-N 3Å; A1679-E1681 VanDerWaalsContact O-N 3.12Å; A1679-W1682 HydrophobicContact CB-CB 4.39Å; A1679-W1682 WeakPolarHBondContact O-CB 3.25Å; A1679-W1682 PolarHBondContact O-N 3.24Å | ||
| 1680 | P | 88.5 | Confident | 90.5 | Very high | 88 Ų | 88 | 52.4 Ų | 52.4 | 57% | 0.571 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -32.5 | -178 | -25 | 33.6 | 0 | 0 | 0 | 113.7 | W1682 V1683 | P1680-W1682 PolarHBondContact O-N 2.94Å; P1680-V1683 PolarHBondContact O-N 3.2Å |
| 1681 | E | 90.5 | Very high | 90.9 | Very high | 47 Ų | 47 | 55.2 Ų | 55.2 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21.3 | 176.7 | 67.2 | -87.5 | -158.6 | 0 | 0 | 113.6 | R1533 A1679 V1683 D1684 Y1685 | R1533-E1681 IonicContact CZ-OE1 3.94Å; R1533-E1681 IonicContact NE-OE1 2.69Å; R1533-E1681 PolarHBondContact NE-OE1 3.03Å; R1533-E1681 IonicContact NH2-OE1 3.8Å; R1533-E1681 PolarHBondContact NH2-OE1 3.15Å; R1533-E1681 IonicContact NH2-OE2 3.23Å; R1533-E1681 PolarHBondContact NH2-OE2 3.3Å; A1679-E1681 PolarHBondContact O-N 3Å; A1679-E1681 VanDerWaalsContact O-N 3.12Å; E1681-V1683 PolarHBondContact O-N 2.97Å; E1681-D1684 PolarHBondContact O-N 3.17Å; E1681-D1684 VanDerWaalsContact O-N 3.09Å; E1681-Y1685 HydrophobicContact CB-CE2 4.18Å; E1681-Y1685 HydrophobicContact CG-CE2 3.85Å; E1681-Y1685 WeakPolarHBondContact O-CD2 3.26Å; E1681-Y1685 PolarHBondContact O-N 3.04Å |
| 1682 | W | 92.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.011 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.1 | -36 | 178.2 | -172.1 | 97.8 | 0 | 0 | 0 | 112 | L1439 I1442 I1531 L1672 A1675 M1676 A1679 P1680 D1684 Y1685 D1686 | L1439-W1682 HydrophobicContact CD2-CZ2 3.94Å; I1442-W1682 HydrophobicContact CD1-CD2 4.1Å; I1442-W1682 HydrophobicContact CD1-CH2 3.74Å; I1442-W1682 HydrophobicContact CD1-CZ2 3.14Å; I1442-W1682 HydrophobicContact CD1-CZ3 4.42Å; I1442-W1682 HydrophobicContact CG2-CG 4.43Å; I1531-W1682 HydrophobicContact CD1-CB 4.41Å; I1531-W1682 HydrophobicContact CD1-CG 4.4Å; L1672-W1682 HydrophobicContact CD2-CH2 3.71Å; L1672-W1682 HydrophobicContact CD2-CZ2 3.86Å; A1675-W1682 HydrophobicContact CB-CD2 4.03Å; A1675-W1682 HydrophobicContact CB-CG 4.12Å; A1675-W1682 HydrophobicContact CB-CZ2 4.47Å; M1676-W1682 HydrophobicContact CE-CE3 4.42Å; M1676-W1682 HydrophobicContact CE-CH2 4.4Å; M1676-W1682 HydrophobicContact CE-CZ3 3.67Å; M1676-W1682 HydrophobicContact CG-CE3 3.95Å; M1676-W1682 HydrophobicContact CG-CZ3 4.11Å; A1679-W1682 HydrophobicContact CB-CB 4.39Å; A1679-W1682 WeakPolarHBondContact O-CB 3.25Å; A1679-W1682 PolarHBondContact O-N 3.24Å; P1680-W1682 PolarHBondContact O-N 2.94Å; W1682-D1684 VanDerWaalsContact C-N 3.27Å; W1682-D1684 PolarHBondContact O-N 3.14Å; W1682-Y1685 PolarHBondContact O-N 3.11Å; W1682-D1686 HydrophobicContact CE3-CB 3.98Å; W1682-D1686 HydrophobicContact CH2-CB 3.98Å; W1682-D1686 HydrophobicContact CZ3-CB 3.6Å; W1682-D1686 WeakPolarHBondContact O-CB 3.32Å; W1682-D1686 PolarHBondContact O-N 2.76Å |
| 1683 | V | 92.7 | Very high | 91.3 | Very high | 52 Ų | 52 | 55.4 Ų | 55.4 | 32% | 0.315 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64 | -34.1 | -179.4 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | M1676 P1680 E1681 R1687 | M1676-V1683 HydrophobicContact CB-CG2 4.26Å; M1676-V1683 HydrophobicContact CG-CG2 4.02Å; P1680-V1683 PolarHBondContact O-N 3.2Å; E1681-V1683 PolarHBondContact O-N 2.97Å; V1683-R1687 VanDerWaalsContact O-CB 3.32Å; V1683-R1687 WeakPolarHBondContact O-CB 3.22Å; V1683-R1687 PolarHBondContact O-N 2.89Å |
| 1684 | D | 93.6 | Very high | 91.4 | Very high | 86 Ų | 86 | 58.4 Ų | 58.4 | 46% | 0.46 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -74.8 | -42.8 | -179.2 | -66.8 | -34.4 | 0 | 0 | 0 | 111.2 | E1681 W1682 R1687 E1688 | E1681-D1684 PolarHBondContact O-N 3.17Å; E1681-D1684 VanDerWaalsContact O-N 3.09Å; W1682-D1684 VanDerWaalsContact C-N 3.27Å; W1682-D1684 PolarHBondContact O-N 3.14Å; D1684-R1687 PolarHBondContact O-N 2.91Å; D1684-R1687 IonicContact OD1-CZ 3.66Å; D1684-R1687 VanDerWaalsContact OD1-CZ 3.26Å; D1684-R1687 IonicContact OD1-NH1 3.64Å; D1684-R1687 PolarHBondContact OD1-NH1 2.79Å; D1684-R1687 IonicContact OD1-NH2 2.67Å; D1684-R1687 PolarHBondContact OD1-NH2 3.16Å; D1684-E1688 PolarHBondContact O-N 3.14Å |
| 1685 | Y | 94.4 | Very high | 91.5 | Very high | 34 Ų | 34 | 63.8 Ų | 63.8 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 173.1 | -62.2 | -49.3 | 0 | 0 | 0 | 112.2 | I1442 L1445 T1446 R1449 H1450 E1681 W1682 R1687 E1688 I1689 | I1442-Y1685 HydrophobicContact CG2-CD2 4.42Å; L1445-Y1685 HydrophobicContact CD2-CD1 3.78Å; L1445-Y1685 HydrophobicContact CD2-CG 4.29Å; L1445-Y1685 HydrophobicContact CG-CD1 3.93Å; T1446-Y1685 HydrophobicContact CG2-CD2 3.59Å; T1446-Y1685 HydrophobicContact CG2-CE2 3.57Å; T1446-Y1685 HydrophobicContact CG2-CG 4.26Å; R1449-Y1685 HydrophobicContact CG-CE1 4.04Å; H1450-Y1685 PolarHBondContact CE1-OH 2.64Å; E1681-Y1685 HydrophobicContact CB-CE2 4.18Å; E1681-Y1685 HydrophobicContact CG-CE2 3.85Å; E1681-Y1685 WeakPolarHBondContact O-CD2 3.26Å; E1681-Y1685 PolarHBondContact O-N 3.04Å; W1682-Y1685 PolarHBondContact O-N 3.11Å; Y1685-R1687 VanDerWaalsContact C-N 3.32Å; Y1685-R1687 PolarHBondContact O-N 3.14Å; Y1685-E1688 PolarHBondContact O-N 3.42Å; Y1685-I1689 WeakPolarHBondContact O-CG1 3.06Å; Y1685-I1689 PolarHBondContact O-N 3.23Å |
| 1686 | D | 93 | Very high | 91.4 | Very high | 9 Ų | 9 | 65.9 Ų | 65.9 | 5% | 0.048 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 176.7 | -178.9 | 64 | 0 | 0 | 0 | 111.9 | R1438 I1442 W1682 K1690 | R1438-D1686 IonicContact CZ-OD1 3.32Å; R1438-D1686 VanDerWaalsContact CZ-OD1 3.23Å; R1438-D1686 IonicContact CZ-OD2 3.65Å; R1438-D1686 IonicContact NE-OD1 2.9Å; R1438-D1686 PolarHBondContact NE-OD1 3.15Å; R1438-D1686 IonicContact NH2-OD1 2.75Å; R1438-D1686 PolarHBondContact NH2-OD1 2.84Å; R1438-D1686 IonicContact NH2-OD2 3.43Å; R1438-D1686 PolarHBondContact NH2-OD2 3.47Å; I1442-D1686 HydrophobicContact CD1-CB 3.82Å; W1682-D1686 HydrophobicContact CE3-CB 3.98Å; W1682-D1686 HydrophobicContact CH2-CB 3.98Å; W1682-D1686 HydrophobicContact CZ3-CB 3.6Å; W1682-D1686 WeakPolarHBondContact O-CB 3.32Å; W1682-D1686 PolarHBondContact O-N 2.76Å; D1686-K1690 WeakPolarHBondContact O-CB 3.46Å; D1686-K1690 VanDerWaalsContact O-CG 3.26Å; D1686-K1690 WeakPolarHBondContact O-CG 3.29Å; D1686-K1690 PolarHBondContact O-N 3.22Å; D1686-K1690 IonicContact OD1-NZ 3.42Å; D1686-K1690 WeakPolarHBondContact OD2-CE 3.48Å; D1686-K1690 IonicContact OD2-NZ 3.11Å; D1686-K1690 PolarHBondContact OD2-NZ 3.22Å |
| 1687 | R | 94.3 | Very high | 91.1 | Very high | 144 Ų | 144 | 66.8 Ų | 66.8 | 54% | 0.543 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 176.3 | -166.3 | -172.1 | -53.5 | 123 | 9.5 | 111.6 | V1683 D1684 Y1685 K1690 K1691 | V1683-R1687 VanDerWaalsContact O-CB 3.32Å; V1683-R1687 WeakPolarHBondContact O-CB 3.22Å; V1683-R1687 PolarHBondContact O-N 2.89Å; D1684-R1687 PolarHBondContact O-N 2.91Å; D1684-R1687 IonicContact OD1-CZ 3.66Å; D1684-R1687 VanDerWaalsContact OD1-CZ 3.26Å; D1684-R1687 IonicContact OD1-NH1 3.64Å; D1684-R1687 PolarHBondContact OD1-NH1 2.79Å; D1684-R1687 IonicContact OD1-NH2 2.67Å; D1684-R1687 PolarHBondContact OD1-NH2 3.16Å; Y1685-R1687 VanDerWaalsContact C-N 3.32Å; Y1685-R1687 PolarHBondContact O-N 3.14Å; R1687-K1690 PolarHBondContact O-N 3.49Å; R1687-K1691 PolarHBondContact O-N 2.92Å |
| 1688 | E | 94.4 | Very high | 90.1 | Very high | 62 Ų | 62 | 66 Ų | 66 | 29% | 0.29 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.2 | -50.8 | 178.3 | -170.3 | 175.4 | -177 | 0 | 0 | 111.5 | L1445 R1449 Y1479 D1684 Y1685 K1690 K1691 L1692 | L1445-E1688 HydrophobicContact CD2-CB 4.36Å; R1449-E1688 IonicContact CZ-OE1 3.91Å; R1449-E1688 IonicContact CZ-OE2 3.37Å; R1449-E1688 IonicContact NE-OE2 3.69Å; R1449-E1688 IonicContact NH2-OE1 3.92Å; R1449-E1688 PolarHBondContact NH2-OE1 3.05Å; R1449-E1688 IonicContact NH2-OE2 3.18Å; R1449-E1688 PolarHBondContact NH2-OE2 2.92Å; Y1479-E1688 WeakPolarHBondContact CE1-OE1 3.34Å; D1684-E1688 PolarHBondContact O-N 3.14Å; Y1685-E1688 PolarHBondContact O-N 3.42Å; E1688-K1690 VanDerWaalsContact C-N 3.31Å; E1688-K1690 PolarHBondContact O-N 2.87Å; E1688-K1691 WeakPolarHBondContact O-CB 3.31Å; E1688-K1691 PolarHBondContact O-N 3.32Å; E1688-L1692 PolarHBondContact O-N 3.39Å |
| 1689 | I | 93 | Very high | 88 | Confident | 8 Ų | 8 | 69.2 Ų | 69.2 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 177.5 | -67.1 | 160 | 0 | 0 | 0 | 110.8 | R1441 I1442 L1445 F1471 M1475 Y1685 K1691 L1692 W1693 | R1441-I1689 HydrophobicContact CB-CD1 3.94Å; R1441-I1689 HydrophobicContact CB-CG2 4.41Å; R1441-I1689 WeakPolarHBondContact O-CD1 3.14Å; I1442-I1689 HydrophobicContact CB-CD1 4.4Å; I1442-I1689 HydrophobicContact CG1-CD1 3.67Å; L1445-I1689 HydrophobicContact CB-CD1 4.28Å; L1445-I1689 HydrophobicContact CD2-CD1 3.98Å; L1445-I1689 HydrophobicContact CD2-CG1 3.92Å; F1471-I1689 HydrophobicContact CE1-CG2 4.17Å; M1475-I1689 HydrophobicContact CE-CD1 4.49Å; M1475-I1689 HydrophobicContact CE-CG1 4.31Å; Y1685-I1689 WeakPolarHBondContact O-CG1 3.06Å; Y1685-I1689 PolarHBondContact O-N 3.23Å; I1689-K1691 VanDerWaalsContact C-N 3.3Å; I1689-K1691 PolarHBondContact O-N 2.81Å; I1689-L1692 PolarHBondContact O-N 2.93Å; I1689-W1693 WeakPolarHBondContact O-CB 3.49Å; I1689-W1693 PolarHBondContact O-N 3.1Å |
| 1690 | K | 91.9 | Very high | 85.5 | Confident | 95 Ų | 95 | 74.7 Ų | 74.7 | 41% | 0.413 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.3 | -36 | 174.1 | -80.4 | 171.8 | 175.9 | 166.1 | 0 | 113 | D1686 R1687 E1688 W1693 K1694 | D1686-K1690 WeakPolarHBondContact O-CB 3.46Å; D1686-K1690 VanDerWaalsContact O-CG 3.26Å; D1686-K1690 WeakPolarHBondContact O-CG 3.29Å; D1686-K1690 PolarHBondContact O-N 3.22Å; D1686-K1690 IonicContact OD1-NZ 3.42Å; D1686-K1690 WeakPolarHBondContact OD2-CE 3.48Å; D1686-K1690 IonicContact OD2-NZ 3.11Å; D1686-K1690 PolarHBondContact OD2-NZ 3.22Å; R1687-K1690 PolarHBondContact O-N 3.49Å; E1688-K1690 VanDerWaalsContact C-N 3.31Å; E1688-K1690 PolarHBondContact O-N 2.87Å; K1690-W1693 PolarHBondContact O-N 3.37Å; K1690-K1694 WeakPolarHBondContact O-CG 3.27Å; K1690-K1694 PolarHBondContact O-N 2.63Å |
| 1691 | K | 93.1 | Very high | 82.7 | Confident | 145 Ų | 145 | 79.9 Ų | 79.9 | 63% | 0.63 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.9 | -42.4 | 176.8 | -170.9 | -178.2 | 178.9 | -174.4 | 0 | 110.7 | R1687 E1688 I1689 R1695 | R1687-K1691 PolarHBondContact O-N 2.92Å; E1688-K1691 WeakPolarHBondContact O-CB 3.31Å; E1688-K1691 PolarHBondContact O-N 3.32Å; I1689-K1691 VanDerWaalsContact C-N 3.3Å; I1689-K1691 PolarHBondContact O-N 2.81Å; K1691-R1695 PolarHBondContact O-N 3.12Å; K1691-R1695 VanDerWaalsContact O-N 3.12Å |
| 1692 | L | 93 | Very high | 79.8 | Confident | 8 Ų | 8 | 82.7 Ų | 82.7 | 4% | 0.042 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 173.4 | -178.9 | 62.1 | 0 | 0 | 0 | 111.1 | F1471 M1475 E1478 Y1479 E1688 I1689 K1694 R1695 V1696 | F1471-L1692 HydrophobicContact CE2-CD2 4.47Å; F1471-L1692 HydrophobicContact CE2-CG 4.21Å; F1471-L1692 HydrophobicContact CZ-CB 4.34Å; F1471-L1692 HydrophobicContact CZ-CD2 3.9Å; F1471-L1692 HydrophobicContact CZ-CG 3.93Å; M1475-L1692 HydrophobicContact CG-CD2 3.96Å; E1478-L1692 HydrophobicContact CB-CD1 4.42Å; E1478-L1692 HydrophobicContact CB-CD2 4.18Å; E1478-L1692 HydrophobicContact CG-CD1 4.23Å; E1478-L1692 HydrophobicContact CG-CD2 4.32Å; Y1479-L1692 HydrophobicContact CE2-CD2 3.87Å; E1688-L1692 PolarHBondContact O-N 3.39Å; I1689-L1692 PolarHBondContact O-N 2.93Å; L1692-K1694 VanDerWaalsContact C-N 3.34Å; L1692-K1694 PolarHBondContact O-N 3.48Å; L1692-R1695 WeakPolarHBondContact O-CB 3.48Å; L1692-R1695 PolarHBondContact O-N 2.67Å; L1692-V1696 HydrophobicContact CD1-CG2 4.41Å; L1692-V1696 WeakPolarHBondContact O-CG2 3.4Å; L1692-V1696 PolarHBondContact O-N 2.9Å |
| 1693 | W | 89.2 | Confident | 76.8 | Confident | 75 Ų | 75 | 88.5 Ų | 88.5 | 28% | 0.284 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -54.8 | -47.6 | 177 | -171.3 | -82.7 | 0 | 0 | 0 | 112.5 | R1441 T1467 F1471 I1689 K1690 R1695 V1696 Y1697 | R1441-W1693 VanDerWaalsContact NH1-CE3 3.35Å; T1467-W1693 HydrophobicContact CG2-CH2 3.56Å; T1467-W1693 HydrophobicContact CG2-CZ2 4Å; F1471-W1693 HydrophobicContact CB-CE3 4.39Å; F1471-W1693 HydrophobicContact CB-CZ3 3.72Å; F1471-W1693 AromaticContact CD1-CE3 3.72Å; F1471-W1693 HydrophobicContact CD1-CE3 3.72Å; F1471-W1693 AromaticContact CD1-CZ3 3.68Å; F1471-W1693 HydrophobicContact CD1-CZ3 3.68Å; F1471-W1693 HydrophobicContact CD2-CD2 4.49Å; F1471-W1693 AromaticContact CD2-CE3 3.56Å; F1471-W1693 HydrophobicContact CD2-CE3 3.56Å; F1471-W1693 AromaticContact CD2-CZ3 3.76Å; F1471-W1693 HydrophobicContact CD2-CZ3 3.76Å; F1471-W1693 AromaticContact CE1-CE3 3.75Å; F1471-W1693 HydrophobicContact CE1-CE3 3.75Å; F1471-W1693 HydrophobicContact CE1-CZ3 4.19Å; F1471-W1693 HydrophobicContact CE2-CB 4.35Å; F1471-W1693 HydrophobicContact CE2-CD2 4.36Å; F1471-W1693 AromaticContact CE2-CE3 3.62Å; F1471-W1693 HydrophobicContact CE2-CE3 3.62Å; F1471-W1693 HydrophobicContact CE2-CZ3 4.29Å; F1471-W1693 AromaticContact CG-CE3 3.61Å; F1471-W1693 HydrophobicContact CG-CE3 3.61Å; F1471-W1693 AromaticContact CG-CZ3 3.42Å; F1471-W1693 HydrophobicContact CG-CZ3 3.42Å; F1471-W1693 VanDerWaalsContact CG-CZ3 3.42Å; F1471-W1693 HydrophobicContact CZ-CB 4.26Å; F1471-W1693 AromaticContact CZ-CE3 3.7Å; F1471-W1693 HydrophobicContact CZ-CE3 3.7Å; F1471-W1693 HydrophobicContact CZ-CZ3 4.48Å; I1689-W1693 WeakPolarHBondContact O-CB 3.49Å; I1689-W1693 PolarHBondContact O-N 3.1Å; K1690-W1693 PolarHBondContact O-N 3.37Å; W1693-R1695 VanDerWaalsContact C-N 3.32Å; W1693-R1695 PolarHBondContact O-N 3.35Å; W1693-V1696 PolarHBondContact O-N 3.49Å; W1693-Y1697 AromaticContact CD2-CD2 3.86Å; W1693-Y1697 HydrophobicContact CD2-CD2 3.86Å; W1693-Y1697 AromaticContact CD2-CE2 3.92Å; W1693-Y1697 HydrophobicContact CD2-CE2 3.92Å; W1693-Y1697 AromaticContact CE2-CD2 3.63Å; W1693-Y1697 AromaticContact CE2-CE2 3.78Å; W1693-Y1697 HydrophobicContact CE3-CD2 4.4Å; W1693-Y1697 HydrophobicContact CE3-CE2 4.02Å; W1693-Y1697 HydrophobicContact CG-CD2 4.13Å; W1693-Y1697 AromaticContact CH2-CE2 3.95Å; W1693-Y1697 HydrophobicContact CH2-CE2 3.95Å; W1693-Y1697 HydrophobicContact CZ2-CD2 4.07Å; W1693-Y1697 AromaticContact CZ2-CE2 3.82Å; W1693-Y1697 HydrophobicContact CZ2-CE2 3.82Å; W1693-Y1697 HydrophobicContact CZ3-CE2 4.01Å; W1693-Y1697 AromaticContact NE1-CD2 3.7Å; W1693-Y1697 WeakPolarHBondContact O-CD2 3.43Å; W1693-Y1697 PolarHBondContact O-N 2.86Å |
| 1694 | K | 90.5 | Very high | 73.7 | Confident | 140 Ų | 140 | 91.4 Ų | 91.4 | 61% | 0.609 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.3 | -37.9 | 176 | -74.5 | -178.7 | 178.7 | -173.5 | 0 | 112.3 | K1690 L1692 V1696 V1698 | K1690-K1694 WeakPolarHBondContact O-CG 3.27Å; K1690-K1694 PolarHBondContact O-N 2.63Å; L1692-K1694 VanDerWaalsContact C-N 3.34Å; L1692-K1694 PolarHBondContact O-N 3.48Å; K1694-V1696 VanDerWaalsContact C-N 3.33Å; K1694-V1696 PolarHBondContact O-N 3.24Å; K1694-V1698 HydrophobicContact CB-CG2 4.43Å; K1694-V1698 HydrophobicContact CG-CG2 4.43Å; K1694-V1698 WeakPolarHBondContact O-CA 3.44Å; K1694-V1698 WeakPolarHBondContact O-CB 3.22Å; K1694-V1698 PolarHBondContact O-N 3.24Å |
| 1695 | R | 89.7 | Confident | 70.6 | Confident | 125 Ų | 125 | 92.6 Ų | 92.6 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 178 | -165.7 | -172.5 | -56.5 | 161 | 8.5 | 111.6 | E1478 K1691 L1692 W1693 S1699 | E1478-R1695 IonicContact OE1-CZ 2.77Å; E1478-R1695 IonicContact OE1-NH1 3.79Å; E1478-R1695 PolarHBondContact OE1-NH1 3.22Å; E1478-R1695 IonicContact OE1-NH2 3.38Å; E1478-R1695 IonicContact OE2-NH1 2.79Å; E1478-R1695 PolarHBondContact OE2-NH1 3.38Å; K1691-R1695 PolarHBondContact O-N 3.12Å; K1691-R1695 VanDerWaalsContact O-N 3.12Å; L1692-R1695 WeakPolarHBondContact O-CB 3.48Å; L1692-R1695 PolarHBondContact O-N 2.67Å; W1693-R1695 VanDerWaalsContact C-N 3.32Å; W1693-R1695 PolarHBondContact O-N 3.35Å; R1695-S1699 PolarHBondContact O-OG 3.16Å |
| 1696 | V | 86.3 | Confident | 67.6 | Low | 44 Ų | 44 | 96.4 Ų | 96.4 | 27% | 0.267 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73.1 | -45.7 | -178.3 | 176.8 | 0 | 0 | 0 | 0 | 112 | F1471 Y1474 L1692 W1693 K1694 | F1471-V1696 HydrophobicContact CE2-CG2 4.25Å; Y1474-V1696 HydrophobicContact CD1-CG1 4.43Å; Y1474-V1696 HydrophobicContact CD1-CG2 4.13Å; Y1474-V1696 HydrophobicContact CD2-CG1 4.05Å; Y1474-V1696 HydrophobicContact CD2-CG2 4.49Å; Y1474-V1696 HydrophobicContact CE1-CG1 4.32Å; Y1474-V1696 HydrophobicContact CE2-CG1 3.93Å; Y1474-V1696 HydrophobicContact CG-CG1 4.3Å; Y1474-V1696 HydrophobicContact CG-CG2 4.01Å; L1692-V1696 HydrophobicContact CD1-CG2 4.41Å; L1692-V1696 WeakPolarHBondContact O-CG2 3.4Å; L1692-V1696 PolarHBondContact O-N 2.9Å; W1693-V1696 PolarHBondContact O-N 3.49Å; K1694-V1696 VanDerWaalsContact C-N 3.33Å; K1694-V1696 PolarHBondContact O-N 3.24Å |
| 1697 | Y | 81.8 | Confident | 64.5 | Low | 104 Ų | 104 | 101.4 Ų | 101.4 | 41% | 0.408 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -104.8 | -10.4 | -170.1 | -64.8 | -73.5 | 0 | 0 | 0 | 115.8 | F1471 W1693 | F1471-Y1697 AromaticContact CD2-CE2 3.86Å; F1471-Y1697 HydrophobicContact CD2-CE2 3.86Å; F1471-Y1697 HydrophobicContact CE2-CE2 4.49Å; W1693-Y1697 AromaticContact CD2-CD2 3.86Å; W1693-Y1697 HydrophobicContact CD2-CD2 3.86Å; W1693-Y1697 AromaticContact CD2-CE2 3.92Å; W1693-Y1697 HydrophobicContact CD2-CE2 3.92Å; W1693-Y1697 AromaticContact CE2-CD2 3.63Å; W1693-Y1697 AromaticContact CE2-CE2 3.78Å; W1693-Y1697 HydrophobicContact CE3-CD2 4.4Å; W1693-Y1697 HydrophobicContact CE3-CE2 4.02Å; W1693-Y1697 HydrophobicContact CG-CD2 4.13Å; W1693-Y1697 AromaticContact CH2-CE2 3.95Å; W1693-Y1697 HydrophobicContact CH2-CE2 3.95Å; W1693-Y1697 HydrophobicContact CZ2-CD2 4.07Å; W1693-Y1697 AromaticContact CZ2-CE2 3.82Å; W1693-Y1697 HydrophobicContact CZ2-CE2 3.82Å; W1693-Y1697 HydrophobicContact CZ3-CE2 4.01Å; W1693-Y1697 AromaticContact NE1-CD2 3.7Å; W1693-Y1697 WeakPolarHBondContact O-CD2 3.43Å; W1693-Y1697 PolarHBondContact O-N 2.86Å |
| 1698 | V | 70.9 | Confident | 61.3 | Low | 100 Ų | 100 | 100.1 Ų | 100.1 | 61% | 0.606 | 57% | 0.567 | S | S | * | * | trans | -120.4 | 4.6 | -171.2 | -169.7 | 0 | 0 | 0 | 0 | 113.4 | K1694 | K1694-V1698 HydrophobicContact CB-CG2 4.43Å; K1694-V1698 HydrophobicContact CG-CG2 4.43Å; K1694-V1698 WeakPolarHBondContact O-CA 3.44Å; K1694-V1698 WeakPolarHBondContact O-CB 3.22Å; K1694-V1698 PolarHBondContact O-N 3.24Å | ||
| 1699 | S | 45.5 | Very low | 58 | Low | 85 Ų | 85 | 102.3 Ų | 102.3 | 59% | 0.594 | 60% | 0.596 | S | S | * | * | trans | -65.9 | 127.5 | 178.2 | -68.1 | 0 | 0 | 0 | 0 | 111.5 | R1695 | R1695-S1699 PolarHBondContact O-OG 3.16Š| ||
| 1700 | P | 37.5 | Very low | 54.9 | Low | 114 Ų | 114 | 106.5 Ų | 106.5 | 74% | 0.74 | 63% | 0.632 | S | S | * | * | trans | -79.2 | 148.1 | -178.2 | 31.9 | -31.1 | 0 | 0 | 0 | 111.1 | S1702 | P1700-S1702 PolarHBondContact O-N 3.04Š| ||
| 1701 | E | 30.2 | Very low | 51.6 | Low | 198 Ų | 198 | 107.7 Ų | 107.7 | 93% | 0.925 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -40.3 | 105.8 | 172.2 | -64.6 | 174.6 | 149.5 | 0 | 0 | 112.6 | ||
| 1702 | S | 28.1 | Very low | 48.4 | Very low | 106 Ų | 106 | 105.5 Ų | 105.5 | 74% | 0.741 | 66% | 0.661 | S | S | * | * | trans | 169.8 | 99.9 | 149.8 | 43.1 | 0 | 0 | 0 | 0 | 112.1 | P1700 | P1700-S1702 PolarHBondContact O-N 3.04Š| ||
| 1703 | S | 29.3 | Very low | 45.1 | Very low | 125 Ų | 125 | 111.1 Ų | 111.1 | 87% | 0.874 | 70% | 0.701 | S | S | * | * | trans | -173.1 | 77.5 | 137.6 | 38.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1704 | S | 27.4 | Very low | 42.2 | Very low | 113 Ų | 113 | 115.2 Ų | 115.2 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | trans | -71 | 137.8 | 149.5 | 47 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1705 | S | 28.6 | Very low | 39.3 | Very low | 111 Ų | 111 | 116.3 Ų | 116.3 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | 109.7 | 111.1 | 161.3 | 75.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1706 | S | 31.9 | Very low | 36.3 | Very low | 114 Ų | 114 | 114.5 Ų | 114.5 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | trans | 80.3 | 135 | 151.4 | 74.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1707 | S | 26.9 | Very low | 33.5 | Very low | 114 Ų | 114 | 118.3 Ų | 118.3 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | cis | 179.8 | 122.3 | -27.3 | 45.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 1708 | S | 28.5 | Very low | 31 | Very low | 117 Ų | 117 | 119.3 Ų | 119.3 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -173.4 | 95.9 | 148.9 | 58 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1709 | A | 25 | Very low | 28.8 | Very low | 108 Ų | 108 | 119.1 Ų | 119.1 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | 62.4 | 88.6 | 74.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1710 | A | 27.1 | Very low | 28 | Very low | 95 Ų | 95 | 120.8 Ų | 120.8 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -167.2 | 100.7 | 142.7 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 1711 | S | 23.4 | Very low | 27.4 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | 133.5 | 96.3 | 58.2 | 52.2 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 1712 | A | 26.2 | Very low | 27.3 | Very low | 99 Ų | 99 | 117.1 Ų | 117.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -178.4 | 84.3 | 148.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1713 | S | 23.9 | Very low | 27.2 | Very low | 126 Ų | 126 | 120.7 Ų | 120.7 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | -171 | 141.8 | 94 | 39.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1714 | E | 27.7 | Very low | 27.5 | Very low | 161 Ų | 161 | 119 Ų | 119 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -134.7 | 127.5 | 171.6 | -130.8 | 175.7 | -153.5 | 0 | 0 | 103.7 | ||||
| 1715 | F | 29.6 | Very low | 27.5 | Very low | 163 Ų | 163 | 119 Ų | 119 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | -160.1 | 132.8 | 53.3 | -94.4 | -92.3 | 0 | 0 | 0 | 109.1 | |||||
| 1716 | S | 27.1 | Very low | 27.4 | Very low | 87 Ų | 87 | 121.5 Ų | 121.5 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | 72.3 | 139.2 | 86.1 | 96.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1717 | T | 26.2 | Very low | 27.2 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | cis | -179.3 | 170.6 | 15.4 | 13.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1718 | V | 29.4 | Very low | 27.1 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 76% | 0.758 | 76% | 0.762 | S | S | * | * | trans | 109.2 | 88.1 | 154.1 | -165.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1719 | S | 25.5 | Very low | 27.1 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | trans | 10.6 | 140.5 | 135.9 | 62.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1720 | T | 28 | Very low | 27.2 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | -173.1 | 130.2 | 102.6 | 30 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1721 | T | 25.7 | Very low | 27.9 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | 57.3 | 124.1 | 142.6 | 61.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 1722 | A | 28.7 | Very low | 28.2 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | -160.5 | 148.9 | 50.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1723 | E | 24.4 | Very low | 28.2 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | -84 | -172.8 | 168.3 | -105.9 | -172 | -178.6 | 0 | 0 | 111.2 | ||||
| 1724 | P | 37.3 | Very low | 28.4 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 59% | 0.591 | 75% | 0.75 | S | S | * | * | cis | -143.1 | -174 | -30.7 | 30.5 | -7.2 | 0 | 0 | 0 | 114.5 | ||||
| 1725 | T | 26.5 | Very low | 28.4 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 68% | 0.681 | 75% | 0.753 | S | S | * | * | trans | 121.1 | 119.8 | 136.9 | 64 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1726 | H | 26.5 | Very low | 28.3 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | 62.1 | 145 | 130 | -73.8 | -53.5 | 0 | 0 | 0 | 120.8 | ||||
| 1727 | L | 27.2 | Very low | 28.3 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | cis | -168.9 | 154.9 | 18.8 | -107.1 | 149.5 | 0 | 0 | 0 | 109.8 | ||||
| 1728 | K | 26.1 | Very low | 28.5 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | trans | 11.1 | 146.3 | 143.9 | -68.3 | 177.2 | 178.8 | -178.6 | 0 | 119.6 | ||||
| 1729 | E | 27.4 | Very low | 28.4 | Very low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | 179.3 | 176.1 | 59.3 | -135.3 | 154.7 | -129.8 | 0 | 0 | 112.2 | |||||
| 1730 | S | 27 | Very low | 28.5 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -72.9 | 178.3 | -164.4 | 44.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1731 | P | 42.4 | Very low | 28.7 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -107.6 | 171.2 | -151.3 | 42.5 | -34.7 | 0 | 0 | 0 | 116.1 | ||||
| 1732 | V | 29.4 | Very low | 28.9 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | -153.1 | 143.6 | 156.6 | -179 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1733 | E | 26 | Very low | 28.9 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | -64 | 163.3 | 177.2 | -60.6 | 166.9 | 129.2 | 0 | 0 | 116.6 | ||||
| 1734 | G | 27.8 | Very low | 29.3 | Very low | 66 Ų | 66 | 139.4 Ų | 139.4 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | trans | 163.4 | 94.5 | 153 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1735 | S | 29.3 | Very low | 28.8 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 56.1 | 119.7 | 145.8 | 59.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1736 | K | 26.1 | Very low | 28.9 | Very low | 190 Ų | 190 | 150.1 Ų | 150.1 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | 97.2 | 134.8 | 63.6 | -120.2 | -174.2 | -171.5 | -178 | 0 | 112.8 | |||||
| 1737 | I | 28 | Very low | 29.1 | Very low | 139 Ų | 139 | 149.5 Ų | 149.5 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | trans | 85.3 | 129.7 | 159.8 | -56.9 | 162.5 | 0 | 0 | 0 | 112.6 | ||||
| 1738 | D | 30.4 | Very low | 29.2 | Very low | 148 Ų | 148 | 150.4 Ų | 150.4 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | cis | -159.6 | 171.5 | 10.9 | -110 | -12.1 | 0 | 0 | 0 | 109.9 | ||||
| 1739 | D | 27.3 | Very low | 29.3 | Very low | 143 Ų | 143 | 149.4 Ų | 149.4 | 77% | 0.765 | 82% | 0.822 | S | S | * | * | trans | -49.8 | 166.4 | -179.4 | -87.6 | -37.4 | 0 | 0 | 0 | 119.7 | ||||
| 1740 | D | 27.4 | Very low | 29.4 | Very low | 139 Ų | 139 | 148.2 Ų | 148.2 | 74% | 0.743 | 82% | 0.824 | S | S | * | * | trans | 80 | 101 | 151.7 | -71.6 | -23.3 | 0 | 0 | 0 | 119 | ||||
| 1741 | T | 31.2 | Very low | 29.6 | Very low | 134 Ų | 134 | 150.6 Ų | 150.6 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | 169.2 | 155.8 | 99.9 | 28.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1742 | V | 31.4 | Very low | 28.7 | Very low | 134 Ų | 134 | 152.9 Ų | 152.9 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | trans | 95.6 | 71.4 | 167.3 | -158 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1743 | K | 28.7 | Very low | 28.7 | Very low | 195 Ų | 195 | 153.2 Ų | 153.2 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | -59.7 | 137.1 | 123.8 | -61.2 | 175.9 | 172.1 | 177.8 | 0 | 106.5 | |||||
| 1744 | T | 31.3 | Very low | 28.9 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | -176.8 | 125.1 | 60.5 | 22.1 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 1745 | E | 27.1 | Very low | 29 | Very low | 199 Ų | 199 | 157.3 Ų | 157.3 | 93% | 0.93 | 83% | 0.834 | S | S | * | * | trans | -153.6 | 93.6 | 137.3 | -106.5 | -176.6 | -167.1 | 0 | 0 | 106.3 | ||||
| 1746 | L | 29.9 | Very low | 29 | Very low | 228 Ų | 228 | 160.9 Ų | 160.9 | 100% | 1.194 | 84% | 0.835 | S | S | * | * | trans | -159.7 | 0 | 154.7 | -116.7 | 163.8 | 0 | 0 | 0 | 107.9 |
Retrieved 1,746 of 1,746 residues in 1537.3 ms
(Link to these results)