| 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 | 49.6 | Very low | 59.1 | Low | 46 Ų | 46 | 29.5 Ų | 29.5 | 23% | 0.227 | 15% | 0.152 | C | C | . | . | 0 | -6 | 0 | -110.5 | -145.2 | -162.6 | 0 | 0 | 113.1 | C3 S4 L5 V82 Y109 D113 | M1-C3 VanDerWaalsContact C-N 3.29Å; M1-C3 PolarHBondContact O-N 2.89Å; M1-S4 CarbonylContact O-C 3.52Å; M1-S4 WeakPolarHBondContact O-CA 3.46Å; M1-S4 WeakPolarHBondContact O-CB 3.28Å; M1-S4 PolarHBondContact O-N 2.67Å; M1-L5 PolarHBondContact O-N 3.32Å; M1-V82 HydrophobicContact CB-CG2 3.71Å; M1-V82 HydrophobicContact CE-CG1 3.67Å; M1-V82 HydrophobicContact CG-CG1 4.34Å; M1-V82 HydrophobicContact CG-CG2 4.07Å; M1-V82 HydrophobicContact SD-CB 4.48Å; M1-V82 HydrophobicContact SD-CG1 3.71Å; M1-V82 HydrophobicContact SD-CG2 3.87Å; M1-Y109 HydrophobicContact CB-CE2 3.92Å; M1-Y109 WeakPolarHBondContact CB-OH 3.37Å; M1-Y109 HydrophobicContact CG-CE2 3.8Å; M1-Y109 VanDerWaalsContact N-CZ 3.28Å; M1-Y109 PolarHBondContact N-OH 3.11Å; M1-D113 VanDerWaalsContact C-OD1 3.27Å; M1-D113 WeakPolarHBondContact CA-OD1 3.39Å; M1-D113 PolarHBondContact N-OD1 3.47Å; M1-D113 PolarHBondContact N-OD2 2.88Å | |||
| 2 | A | 59.3 | Low | 58.5 | Low | 20 Ų | 20 | 32.8 Ų | 32.8 | 17% | 0.165 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.9 | -47.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S4 L5 S6 V29 | A2-S4 PolarHBondContact O-N 2.98Å; A2-L5 PolarHBondContact O-N 3.28Å; A2-S6 WeakPolarHBondContact O-CB 3.24Å; A2-S6 PolarHBondContact O-N 3.15Å; A2-S6 PolarHBondContact O-OG 2.75Å; A2-V29 HydrophobicContact CB-CG2 3.75Å; A2-V29 WeakPolarHBondContact O-CG2 3.42Å |
| 3 | C | 61.4 | Low | 58 | Low | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.1 | -46.3 | 169.9 | -62 | 0 | 0 | 0 | 0 | 112.8 | M1 L7 C116 L117 L120 | M1-C3 VanDerWaalsContact C-N 3.29Å; M1-C3 PolarHBondContact O-N 2.89Å; C3-L7 WeakPolarHBondContact O-CB 3.42Å; C3-L7 PolarHBondContact O-N 2.98Å; C3-C116 HydrophobicContact CB-CB 3.84Å; C3-L117 HydrophobicContact CB-CB 4.5Å; C3-L120 HydrophobicContact CB-CD1 3.94Å |
| 4 | S | 61.5 | Low | 57.2 | Low | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.2 | -42.5 | 179 | -165.1 | 0 | 0 | 0 | 0 | 113.4 | M1 A2 K8 D113 C116 | M1-S4 CarbonylContact O-C 3.52Å; M1-S4 WeakPolarHBondContact O-CA 3.46Å; M1-S4 WeakPolarHBondContact O-CB 3.28Å; M1-S4 PolarHBondContact O-N 2.67Å; A2-S4 PolarHBondContact O-N 2.98Å; S4-K8 VanDerWaalsContact O-CG 3.28Å; S4-K8 WeakPolarHBondContact O-CG 3.49Å; S4-K8 PolarHBondContact O-N 3.21Å; S4-D113 PolarHBondContact N-OD1 3.48Å; S4-C116 VanDerWaalsContact CA-SG 3.57Å; S4-C116 VanDerWaalsContact CB-SG 3.52Å; S4-C116 PolarHBondContact OG-SG 2.9Å |
| 5 | L | 60.7 | Low | 56.4 | Low | 89 Ų | 89 | 34.1 Ų | 34.1 | 47% | 0.466 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.6 | -43.2 | 179.9 | -162.1 | 84.7 | 0 | 0 | 0 | 110.9 | M1 A2 K8 K9 | M1-L5 PolarHBondContact O-N 3.32Å; A2-L5 PolarHBondContact O-N 3.28Å; L5-K8 PolarHBondContact O-N 3.39Å; L5-K9 PolarHBondContact O-N 2.91Å |
| 6 | S | 64.7 | Low | 55.4 | Low | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.4 | -33.6 | 178.3 | -58 | 0 | 0 | 0 | 0 | 112 | A2 K9 C10 T25 V29 | A2-S6 WeakPolarHBondContact O-CB 3.24Å; A2-S6 PolarHBondContact O-N 3.15Å; A2-S6 PolarHBondContact O-OG 2.75Å; S6-K9 PolarHBondContact O-N 3.22Å; S6-C10 PolarHBondContact O-N 3.35Å; S6-C10 PolarHBondContact O-SG 3.41Å; S6-T25 PolarHBondContact OG-O 2.81Å; S6-V29 VanDerWaalsContact OG-CG2 3.32Å; S6-V29 WeakPolarHBondContact OG-CG2 3.29Å |
| 7 | L | 60.6 | Low | 54.8 | Low | 9 Ų | 9 | 47.1 Ų | 47.1 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -45.8 | 169.1 | -176.5 | 70.7 | 0 | 0 | 0 | 111.4 | C3 K9 C10 L11 C116 R119 L120 L123 F1138 | C3-L7 WeakPolarHBondContact O-CB 3.42Å; C3-L7 PolarHBondContact O-N 2.98Å; L7-K9 VanDerWaalsContact C-N 3.35Å; L7-K9 PolarHBondContact O-N 2.96Å; L7-C10 PolarHBondContact O-N 3.11Å; L7-L11 WeakPolarHBondContact O-CG 3.15Å; L7-L11 PolarHBondContact O-N 3.43Å; L7-L11 VanDerWaalsContact O-N 3.14Å; L7-C116 HydrophobicContact CD2-CB 4.27Å; L7-R119 HydrophobicContact CD1-CB 4Å; L7-R119 HydrophobicContact CD2-CB 3.78Å; L7-R119 HydrophobicContact CD2-CG 4.45Å; L7-L120 HydrophobicContact CB-CD2 3.98Å; L7-L120 HydrophobicContact CB-CG 4.23Å; L7-L120 HydrophobicContact CD1-CD2 3.86Å; L7-L120 HydrophobicContact CD1-CG 4.2Å; L7-L123 HydrophobicContact CD1-CD1 3.92Å; L7-L123 HydrophobicContact CD1-CG 4.43Å; L7-F1138 HydrophobicContact CD1-CE2 4.46Å; L7-F1138 HydrophobicContact CD2-CE2 4.38Å |
| 8 | K | 58.3 | Low | 54.7 | Low | 56 Ų | 56 | 49.6 Ų | 49.6 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61 | -40.2 | 174.2 | -72.5 | 173.5 | -174.6 | -170.1 | 0 | 112.4 | S4 L5 L11 A12 F1226 | S4-K8 VanDerWaalsContact O-CG 3.28Å; S4-K8 WeakPolarHBondContact O-CG 3.49Å; S4-K8 PolarHBondContact O-N 3.21Å; L5-K8 PolarHBondContact O-N 3.39Å; K8-L11 PolarHBondContact O-N 2.94Å; K8-A12 PolarHBondContact O-N 2.99Å; K8-F1226 HydrophobicContact CD-CE1 4.39Å |
| 9 | K | 60 | Low | 54.8 | Low | 41 Ų | 41 | 53.5 Ų | 53.5 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.2 | -38.3 | 176.6 | -72.7 | -169.9 | 174.7 | -167.8 | 0 | 112.7 | L5 S6 L7 L11 A12 V13 T25 | L5-K9 PolarHBondContact O-N 2.91Å; S6-K9 PolarHBondContact O-N 3.22Å; L7-K9 VanDerWaalsContact C-N 3.35Å; L7-K9 PolarHBondContact O-N 2.96Å; K9-L11 PolarHBondContact O-N 2.92Å; K9-A12 PolarHBondContact O-N 3.19Å; K9-V13 WeakPolarHBondContact O-CB 3.28Å; K9-V13 WeakPolarHBondContact O-CG2 3.45Å; K9-V13 PolarHBondContact O-N 3.15Å; K9-T25 HydrophobicContact CD-CG2 3.72Å |
| 10 | C | 59.3 | Low | 54.9 | Low | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.4 | -35.5 | 171.4 | -67.1 | 0 | 0 | 0 | 0 | 112.3 | S6 L7 C14 L123 I135 | S6-C10 PolarHBondContact O-N 3.35Å; S6-C10 PolarHBondContact O-SG 3.41Å; L7-C10 PolarHBondContact O-N 3.11Å; C10-C14 PolarHBondContact O-SG 3.3Å; C10-L123 HydrophobicContact CB-CD1 4.16Å; C10-I135 HydrophobicContact CB-CG2 4.36Å |
| 11 | L | 54.7 | Low | 55 | Low | 59 Ų | 59 | 60 Ų | 60 | 31% | 0.309 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -71.2 | -45.4 | 175.9 | -70.6 | 160.6 | 0 | 0 | 0 | 112.5 | L7 K8 K9 V13 W132 F1138 | L7-L11 WeakPolarHBondContact O-CG 3.15Å; L7-L11 PolarHBondContact O-N 3.43Å; L7-L11 VanDerWaalsContact O-N 3.14Å; K8-L11 PolarHBondContact O-N 2.94Å; K9-L11 PolarHBondContact O-N 2.92Å; L11-V13 PolarHBondContact O-N 2.86Å; L11-W132 HydrophobicContact CD2-CH2 3.9Å; L11-W132 HydrophobicContact CD2-CZ2 4.42Å; L11-F1138 HydrophobicContact CD1-CE1 4.4Å; L11-F1138 HydrophobicContact CD1-CZ 3.8Å; L11-F1138 HydrophobicContact CD2-CE1 3.62Å; L11-F1138 HydrophobicContact CD2-CZ 3.67Å; L11-F1138 HydrophobicContact CG-CZ 4.18Å |
| 12 | A | 51.9 | Low | 55.5 | Low | 69 Ų | 69 | 58.5 Ų | 58.5 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -72.2 | -24.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K8 K9 C14 | K8-A12 PolarHBondContact O-N 2.99Å; K9-A12 PolarHBondContact O-N 3.19Å; A12-C14 VanDerWaalsContact C-N 3.34Å |
| 13 | V | 51.9 | Low | 55.8 | Low | 32 Ų | 32 | 61.7 Ų | 61.7 | 19% | 0.194 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -79.7 | -11.6 | -176.9 | 168.2 | 0 | 0 | 0 | 0 | 113.2 | K9 L11 G15 N16 L22 | K9-V13 WeakPolarHBondContact O-CB 3.28Å; K9-V13 WeakPolarHBondContact O-CG2 3.45Å; K9-V13 PolarHBondContact O-N 3.15Å; L11-V13 PolarHBondContact O-N 2.86Å; V13-G15 PolarHBondContact O-N 3.08Å; V13-N16 PolarHBondContact O-N 3Å; V13-N16 VanDerWaalsContact O-N 3.08Å; V13-L22 HydrophobicContact CB-CD1 4.26Å; V13-L22 HydrophobicContact CG1-CB 4.44Å; V13-L22 HydrophobicContact CG1-CD1 4.31Å; V13-L22 HydrophobicContact CG1-CD2 4.42Å; V13-L22 HydrophobicContact CG2-CD1 4.23Å |
| 14 | C | 47.5 | Very low | 56 | Low | 36 Ų | 36 | 64.5 Ų | 64.5 | 24% | 0.243 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -61.8 | 0.8 | 178.6 | -72.2 | 0 | 0 | 0 | 0 | 116.2 | C10 A12 W132 I135 V1142 | C10-C14 PolarHBondContact O-SG 3.3Å; A12-C14 VanDerWaalsContact C-N 3.34Å; C14-W132 WeakPolarHBondContact SG-CH2 3.28Å; C14-W132 WeakPolarHBondContact SG-CZ3 3.43Å; C14-I135 VanDerWaalsContact SG-CD1 3.58Å; C14-V1142 HydrophobicContact CB-CG1 4.47Å |
| 15 | G | 44.4 | Very low | 56.1 | Low | 49 Ų | 49 | 65.5 Ų | 65.5 | 51% | 0.505 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -112.7 | -19.1 | 171 | 0 | 0 | 0 | 0 | 0 | 116.3 | V13 | V13-G15 PolarHBondContact O-N 3.08Š|
| 16 | N | 41.4 | Very low | 56.4 | Low | 118 Ų | 118 | 61.3 Ų | 61.3 | 63% | 0.631 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -134.4 | 131.6 | -169.9 | -74.5 | -19.5 | 0 | 0 | 0 | 112 | V13 D18 | V13-N16 PolarHBondContact O-N 3Å; V13-N16 VanDerWaalsContact O-N 3.08Å; N16-D18 PolarHBondContact O-N 2.7Å |
| 17 | H | 45.1 | Very low | 56.8 | Low | 172 Ų | 172 | 64.5 Ų | 64.5 | 80% | 0.796 | 36% | 0.36 | S | S | * | . | trans | -78.1 | 29.2 | -170 | -70.4 | -73.5 | 0 | 0 | 0 | 116.5 | E19 | H17-E19 PolarHBondContact O-N 3.33Š| ||
| 18 | D | 52 | Low | 57.1 | Low | 92 Ų | 92 | 68.4 Ų | 68.4 | 49% | 0.492 | 39% | 0.386 | S | S | . | . | trans | -78.5 | 67 | 180 | -72.4 | -15.5 | 0 | 0 | 0 | 112 | N16 E20 L21 L22 | N16-D18 PolarHBondContact O-N 2.7Å; D18-E20 VanDerWaalsContact C-N 3.26Å; D18-E20 PolarHBondContact O-N 2.9Å; D18-L21 HydrophobicContact CB-CB 4.11Å; D18-L21 PolarHBondContact O-N 3.13Å; D18-L22 PolarHBondContact O-N 3.42Å | ||
| 19 | E | 56.8 | Low | 57.8 | Low | 123 Ų | 123 | 65.7 Ų | 65.7 | 58% | 0.575 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -57.8 | -33.9 | -175.8 | -65.6 | -169 | 167.5 | 0 | 0 | 113.2 | H17 L21 L22 L23 | H17-E19 PolarHBondContact O-N 3.33Å; E19-L21 PolarHBondContact O-N 3.5Å; E19-L22 PolarHBondContact O-N 3Å; E19-L23 WeakPolarHBondContact O-CB 3.14Å; E19-L23 PolarHBondContact O-N 3.18Å |
| 20 | E | 57.5 | Low | 58.7 | Low | 169 Ų | 169 | 69 Ų | 69 | 79% | 0.79 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.2 | -35.5 | 175.2 | -71.3 | -159.1 | 126.7 | 0 | 0 | 113.2 | D18 L22 L23 S24 | D18-E20 VanDerWaalsContact C-N 3.26Å; D18-E20 PolarHBondContact O-N 2.9Å; E20-L22 VanDerWaalsContact C-N 3.32Å; E20-L23 PolarHBondContact O-N 2.67Å; E20-S24 VanDerWaalsContact O-CB 3.29Å; E20-S24 WeakPolarHBondContact O-CB 3.43Å; E20-S24 PolarHBondContact O-N 3.49Å; E20-S24 PolarHBondContact O-OG 2.91Å |
| 21 | L | 55.7 | Low | 59.5 | Low | 74 Ų | 74 | 71.4 Ų | 71.4 | 39% | 0.387 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.2 | -33.6 | 178 | -160.4 | 78.6 | 0 | 0 | 0 | 110.7 | D18 E19 S24 T25 | D18-L21 HydrophobicContact CB-CB 4.11Å; D18-L21 PolarHBondContact O-N 3.13Å; E19-L21 PolarHBondContact O-N 3.5Å; L21-S24 WeakPolarHBondContact CA-OG 3.4Å; L21-S24 PolarHBondContact O-OG 3.13Å; L21-T25 WeakPolarHBondContact O-CB 3.43Å; L21-T25 VanDerWaalsContact O-CG2 3.3Å; L21-T25 WeakPolarHBondContact O-CG2 3.35Å; L21-T25 PolarHBondContact O-N 3.35Å; L21-T25 PolarHBondContact O-OG1 3.49Å |
| 22 | L | 61.6 | Low | 60.6 | Low | 15 Ų | 15 | 68.9 Ų | 68.9 | 8% | 0.079 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -68.4 | -51 | 171.3 | -168.2 | 72.4 | 0 | 0 | 0 | 110.9 | V13 D18 E19 E20 S24 T25 L26 I135 | V13-L22 HydrophobicContact CB-CD1 4.26Å; V13-L22 HydrophobicContact CG1-CB 4.44Å; V13-L22 HydrophobicContact CG1-CD1 4.31Å; V13-L22 HydrophobicContact CG1-CD2 4.42Å; V13-L22 HydrophobicContact CG2-CD1 4.23Å; D18-L22 PolarHBondContact O-N 3.42Å; E19-L22 PolarHBondContact O-N 3Å; E20-L22 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 2.8Å; L22-T25 PolarHBondContact O-N 3.19Å; L22-T25 PolarHBondContact O-OG1 2.74Å; L22-L26 HydrophobicContact CD1-CD1 4.44Å; L22-L26 HydrophobicContact CD2-CD1 4.32Å; L22-L26 HydrophobicContact CG-CD1 3.88Å; L22-L26 HydrophobicContact CG-CG 4.32Å; L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.27Å; L22-L26 PolarHBondContact O-N 2.81Å; L22-I135 HydrophobicContact CD2-CG1 4.41Å |
| 23 | L | 65.2 | Low | 61.8 | Low | 87 Ų | 87 | 65.6 Ų | 65.6 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.7 | -46.3 | -179.8 | -87.3 | 160.4 | 0 | 0 | 0 | 112.9 | E19 E20 T25 L26 S27 V138 M142 | E19-L23 WeakPolarHBondContact O-CB 3.14Å; E19-L23 PolarHBondContact O-N 3.18Å; E20-L23 PolarHBondContact O-N 2.67Å; L23-T25 VanDerWaalsContact C-N 3.34Å; L23-T25 PolarHBondContact O-N 3.1Å; L23-L26 PolarHBondContact O-N 3.26Å; L23-S27 WeakPolarHBondContact O-CB 3.41Å; L23-S27 PolarHBondContact O-N 3.31Å; L23-V138 HydrophobicContact CD2-CG1 4.5Å; L23-M142 HydrophobicContact CD2-CE 3.96Å |
| 24 | S | 65 | Low | 63.3 | Low | 60 Ų | 60 | 68.3 Ų | 68.3 | 42% | 0.42 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 177.4 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | E20 L21 L22 S27 | E20-S24 VanDerWaalsContact O-CB 3.29Å; E20-S24 WeakPolarHBondContact O-CB 3.43Å; E20-S24 PolarHBondContact O-N 3.49Å; E20-S24 PolarHBondContact O-OG 2.91Å; L21-S24 WeakPolarHBondContact CA-OG 3.4Å; L21-S24 PolarHBondContact O-OG 3.13Å; L22-S24 PolarHBondContact O-N 2.8Å; S24-S27 WeakPolarHBondContact O-CB 3.44Å; S24-S27 PolarHBondContact O-N 3.17Å; S24-S27 PolarHBondContact O-OG 3.28Å |
| 25 | T | 63.9 | Low | 64.7 | Low | 22 Ų | 22 | 70.2 Ų | 70.2 | 14% | 0.135 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -82 | -25.7 | -179.9 | 58.2 | 0 | 0 | 0 | 0 | 113.9 | S6 K9 L21 L22 L23 | S6-T25 PolarHBondContact OG-O 2.81Å; K9-T25 HydrophobicContact CD-CG2 3.72Å; L21-T25 WeakPolarHBondContact O-CB 3.43Å; L21-T25 VanDerWaalsContact O-CG2 3.3Å; L21-T25 WeakPolarHBondContact O-CG2 3.35Å; L21-T25 PolarHBondContact O-N 3.35Å; L21-T25 PolarHBondContact O-OG1 3.49Å; L22-T25 PolarHBondContact O-N 3.19Å; L22-T25 PolarHBondContact O-OG1 2.74Å; L23-T25 VanDerWaalsContact C-N 3.34Å; L23-T25 PolarHBondContact O-N 3.1Å |
| 26 | L | 67.7 | Low | 66.4 | Low | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -71 | -30.5 | 166.7 | -72.9 | 178.2 | 0 | 0 | 0 | 112.3 | L22 L23 C28 V29 K30 V138 L139 M142 | L22-L26 HydrophobicContact CD1-CD1 4.44Å; L22-L26 HydrophobicContact CD2-CD1 4.32Å; L22-L26 HydrophobicContact CG-CD1 3.88Å; L22-L26 HydrophobicContact CG-CG 4.32Å; L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.27Å; L22-L26 PolarHBondContact O-N 2.81Å; L23-L26 PolarHBondContact O-N 3.26Å; L26-C28 PolarHBondContact O-N 2.94Å; L26-V29 PolarHBondContact O-N 3.13Å; L26-K30 PolarHBondContact O-N 3.27Å; L26-V138 HydrophobicContact CD1-CG1 3.88Å; L26-L139 HydrophobicContact CD1-CD2 4.03Å; L26-L139 HydrophobicContact CD2-CD2 3.5Å; L26-L139 VanDerWaalsContact CD2-CD2 3.5Å; L26-L139 HydrophobicContact CG-CD2 4.42Å; L26-M142 HydrophobicContact CB-CE 3.69Å; L26-M142 HydrophobicContact CB-SD 3.87Å; L26-M142 HydrophobicContact CD1-CE 4.07Å |
| 27 | S | 71.4 | Confident | 68.2 | Low | 71 Ų | 71 | 63.1 Ų | 63.1 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.3 | -35.7 | 178.8 | 82.3 | 0 | 0 | 0 | 0 | 112.9 | L23 S24 V29 K30 | L23-S27 WeakPolarHBondContact O-CB 3.41Å; L23-S27 PolarHBondContact O-N 3.31Å; S24-S27 WeakPolarHBondContact O-CB 3.44Å; S24-S27 PolarHBondContact O-N 3.17Å; S24-S27 PolarHBondContact O-OG 3.28Å; S27-V29 PolarHBondContact O-N 2.92Å; S27-K30 VanDerWaalsContact O-CB 3.27Å; S27-K30 WeakPolarHBondContact O-CB 3.41Å; S27-K30 PolarHBondContact O-N 3.33Å |
| 28 | C | 68.2 | Low | 69.8 | Low | 90 Ų | 90 | 59.5 Ų | 59.5 | 61% | 0.608 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20 | 175.3 | -59.7 | 0 | 0 | 0 | 0 | 114.1 | L26 | L26-C28 PolarHBondContact O-N 2.94Š|
| 29 | V | 73 | Confident | 71 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -1.8 | -178.2 | 179.8 | 0 | 0 | 0 | 0 | 111.3 | A2 S6 L26 S27 A31 Q32 L33 L120 | A2-V29 HydrophobicContact CB-CG2 3.75Å; A2-V29 WeakPolarHBondContact O-CG2 3.42Å; S6-V29 VanDerWaalsContact OG-CG2 3.32Å; S6-V29 WeakPolarHBondContact OG-CG2 3.29Å; L26-V29 PolarHBondContact O-N 3.13Å; S27-V29 PolarHBondContact O-N 2.92Å; V29-A31 VanDerWaalsContact C-N 3.32Å; V29-A31 PolarHBondContact O-N 3.33Å; V29-Q32 HydrophobicContact CG1-CB 4.15Å; V29-Q32 WeakPolarHBondContact O-CA 3.34Å; V29-Q32 WeakPolarHBondContact O-CB 3.32Å; V29-Q32 PolarHBondContact O-N 3.44Å; V29-L33 HydrophobicContact CG1-CD1 4.08Å; V29-L33 HydrophobicContact CG1-CG 4.09Å; V29-L33 PolarHBondContact O-N 2.84Å; V29-L120 HydrophobicContact CG1-CD1 3.86Å |
| 30 | K | 77.7 | Confident | 71.8 | Confident | 110 Ų | 110 | 51.3 Ų | 51.3 | 48% | 0.478 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -53.8 | -43.6 | -176.2 | -175.5 | 176 | 178.8 | 176.4 | 0 | 113.2 | L26 S27 Q32 L33 Q34 | L26-K30 PolarHBondContact O-N 3.27Å; S27-K30 VanDerWaalsContact O-CB 3.27Å; S27-K30 WeakPolarHBondContact O-CB 3.41Å; S27-K30 PolarHBondContact O-N 3.33Å; K30-Q32 VanDerWaalsContact C-N 3.31Å; K30-Q32 PolarHBondContact O-N 2.77Å; K30-L33 PolarHBondContact O-N 3.44Å; K30-Q34 WeakPolarHBondContact O-CB 3.43Å; K30-Q34 PolarHBondContact O-N 3.3Å |
| 31 | A | 75.8 | Confident | 72.3 | Confident | 50 Ų | 50 | 47.4 Ų | 47.4 | 41% | 0.413 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.4 | -36.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V29 H35 Y39 | V29-A31 VanDerWaalsContact C-N 3.32Å; V29-A31 PolarHBondContact O-N 3.33Å; A31-H35 PolarHBondContact O-CD2 2.74Å; A31-H35 PolarHBondContact O-N 2.78Å; A31-H35 VanDerWaalsContact O-N 3.15Å; A31-Y39 HydrophobicContact CB-CE2 4.42Å |
| 32 | Q | 79.5 | Confident | 72.6 | Confident | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.3 | -40.1 | -179.5 | -67.2 | 143 | 8.5 | 0 | 0 | 111 | V29 K30 G36 Y39 L117 | V29-Q32 HydrophobicContact CG1-CB 4.15Å; V29-Q32 WeakPolarHBondContact O-CA 3.34Å; V29-Q32 WeakPolarHBondContact O-CB 3.32Å; V29-Q32 PolarHBondContact O-N 3.44Å; K30-Q32 VanDerWaalsContact C-N 3.31Å; K30-Q32 PolarHBondContact O-N 2.77Å; Q32-G36 WeakPolarHBondContact O-CA 3.32Å; Q32-G36 PolarHBondContact O-N 3.3Å; Q32-Y39 HydrophobicContact CB-CD2 4.24Å; Q32-Y39 HydrophobicContact CB-CE2 4.27Å; Q32-Y39 HydrophobicContact CG-CD1 4.16Å; Q32-Y39 HydrophobicContact CG-CD2 3.8Å; Q32-Y39 HydrophobicContact CG-CE1 3.83Å; Q32-Y39 HydrophobicContact CG-CE2 3.41Å; Q32-Y39 VanDerWaalsContact CG-CE2 3.41Å; Q32-Y39 HydrophobicContact CG-CG 4.14Å; Q32-Y39 VanDerWaalsContact CG-CZ 3.41Å; Q32-Y39 PolarHBondContact NE2-OH 3.29Å; Q32-L117 HydrophobicContact CB-CD1 4.28Å |
| 33 | L | 77.2 | Confident | 72.2 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.9 | -38.7 | 172.4 | -78.1 | 166.1 | 0 | 0 | 0 | 113.2 | V29 K30 H35 G36 L120 L121 L139 M142 T143 | V29-L33 HydrophobicContact CG1-CD1 4.08Å; V29-L33 HydrophobicContact CG1-CG 4.09Å; V29-L33 PolarHBondContact O-N 2.84Å; K30-L33 PolarHBondContact O-N 3.44Å; L33-H35 VanDerWaalsContact C-N 3.34Å; L33-H35 PolarHBondContact O-N 3.44Å; L33-G36 PolarHBondContact O-N 2.78Å; L33-L120 HydrophobicContact CD2-CB 4.14Å; L33-L121 HydrophobicContact CD2-CD2 3.83Å; L33-L121 HydrophobicContact CD2-CG 4.47Å; L33-L139 HydrophobicContact CD1-CD2 3.91Å; L33-M142 HydrophobicContact CB-CB 4.41Å; L33-M142 HydrophobicContact CD1-CB 4.31Å; L33-T143 HydrophobicContact CD2-CG2 4.47Å |
| 34 | Q | 83.1 | Confident | 71.7 | Confident | 88 Ų | 88 | 51 Ų | 51 | 41% | 0.411 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.8 | -32.4 | -179.2 | -173.3 | 173.8 | -7.7 | 0 | 0 | 112.3 | K30 M142 S144 | K30-Q34 WeakPolarHBondContact O-CB 3.43Å; K30-Q34 PolarHBondContact O-N 3.3Å; Q34-M142 PolarHBondContact N-O 3.35Å; Q34-S144 VanDerWaalsContact O-CB 3.27Å; Q34-S144 WeakPolarHBondContact O-CB 3.42Å; Q34-S144 PolarHBondContact O-OG 3.09Å |
| 35 | H | 76.9 | Confident | 71.1 | Confident | 76 Ų | 76 | 55.4 Ų | 55.4 | 35% | 0.352 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -94.2 | -14.2 | 173.8 | -65.4 | -53.2 | 0 | 0 | 0 | 114.4 | A31 L33 F37 K38 Y39 Q42 | A31-H35 PolarHBondContact O-CD2 2.74Å; A31-H35 PolarHBondContact O-N 2.78Å; A31-H35 VanDerWaalsContact O-N 3.15Å; L33-H35 VanDerWaalsContact C-N 3.34Å; L33-H35 PolarHBondContact O-N 3.44Å; H35-F37 PolarHBondContact O-N 3.07Å; H35-K38 PolarHBondContact O-N 3.22Å; H35-K38 VanDerWaalsContact O-N 3.15Å; H35-Y39 HydrophobicContact CB-CD2 4.26Å; H35-Q42 VanDerWaalsContact CG-NE2 3.26Å; H35-Q42 PolarHBondContact ND1-NE2 3.48Å |
| 36 | G | 80.4 | Confident | 70.5 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | 53.2 | -135.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q32 L33 K38 Y39 | Q32-G36 WeakPolarHBondContact O-CA 3.32Å; Q32-G36 PolarHBondContact O-N 3.3Å; L33-G36 PolarHBondContact O-N 2.78Å; G36-K38 PolarHBondContact O-N 3.41Å; G36-Y39 WeakPolarHBondContact O-CB 3.41Å; G36-Y39 PolarHBondContact O-N 2.88Å; G36-Y39 VanDerWaalsContact O-N 3.11Å |
| 37 | F | 79.1 | Confident | 69.5 | Low | 18 Ų | 18 | 63.5 Ų | 63.5 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -54.3 | -28 | 179.7 | -54.9 | -66.4 | 0 | 0 | 0 | 113.9 | H35 Y39 L121 L151 A155 E158 L209 L212 | H35-F37 PolarHBondContact O-N 3.07Å; F37-Y39 VanDerWaalsContact C-N 3.32Å; F37-Y39 PolarHBondContact O-N 2.8Å; F37-L121 HydrophobicContact CD1-CD1 4.08Å; F37-L121 HydrophobicContact CE1-CD1 3.7Å; F37-L121 HydrophobicContact CE2-CD1 4.21Å; F37-L121 HydrophobicContact CG-CD1 4.49Å; F37-L121 HydrophobicContact CZ-CD1 3.77Å; F37-L151 HydrophobicContact CE2-CD1 4.16Å; F37-A155 HydrophobicContact CE2-CB 3.74Å; F37-A155 HydrophobicContact CZ-CB 3.63Å; F37-E158 HydrophobicContact CB-CB 4.33Å; F37-E158 HydrophobicContact CB-CG 3.89Å; F37-E158 HydrophobicContact CD1-CG 4.03Å; F37-E158 HydrophobicContact CD2-CB 4.45Å; F37-E158 HydrophobicContact CG-CB 4.18Å; F37-E158 HydrophobicContact CG-CG 3.96Å; F37-L209 HydrophobicContact CD1-CD2 4.27Å; F37-L209 HydrophobicContact CE1-CD2 3.64Å; F37-L209 HydrophobicContact CZ-CD2 4.1Å; F37-L212 HydrophobicContact CE1-CD1 4.42Å; F37-L212 HydrophobicContact CZ-CD1 3.99Å |
| 38 | K | 78.7 | Confident | 68.6 | Low | 96 Ų | 96 | 66.7 Ų | 66.7 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -85.1 | 2.5 | -175.5 | -64.4 | 165.3 | -176.8 | 124 | 0 | 113.4 | H35 G36 S41 Q42 D154 | H35-K38 PolarHBondContact O-N 3.22Å; H35-K38 VanDerWaalsContact O-N 3.15Å; G36-K38 PolarHBondContact O-N 3.41Å; K38-S41 PolarHBondContact O-N 3.21Å; K38-S41 PolarHBondContact O-OG 2.79Å; K38-S41 VanDerWaalsContact O-OG 3.13Å; K38-Q42 WeakPolarHBondContact O-CG 3.49Å; K38-D154 IonicContact NZ-OD1 3.81Å; K38-D154 PolarHBondContact NZ-OD1 3.39Å; K38-D154 IonicContact NZ-OD2 2.64Å; K38-D154 PolarHBondContact NZ-OD2 2.85Å |
| 39 | Y | 77.1 | Confident | 68 | Low | 20 Ų | 20 | 65.6 Ų | 65.6 | 8% | 0.078 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -58.4 | -52.2 | 176.9 | -173.3 | -95.6 | 0 | 0 | 0 | 112.1 | A31 Q32 H35 G36 F37 S41 Q42 L71 E74 | A31-Y39 HydrophobicContact CB-CE2 4.42Å; Q32-Y39 HydrophobicContact CB-CD2 4.24Å; Q32-Y39 HydrophobicContact CB-CE2 4.27Å; Q32-Y39 HydrophobicContact CG-CD1 4.16Å; Q32-Y39 HydrophobicContact CG-CD2 3.8Å; Q32-Y39 HydrophobicContact CG-CE1 3.83Å; Q32-Y39 HydrophobicContact CG-CE2 3.41Å; Q32-Y39 VanDerWaalsContact CG-CE2 3.41Å; Q32-Y39 HydrophobicContact CG-CG 4.14Å; Q32-Y39 VanDerWaalsContact CG-CZ 3.41Å; Q32-Y39 PolarHBondContact NE2-OH 3.29Å; H35-Y39 HydrophobicContact CB-CD2 4.26Å; G36-Y39 WeakPolarHBondContact O-CB 3.41Å; G36-Y39 PolarHBondContact O-N 2.88Å; G36-Y39 VanDerWaalsContact O-N 3.11Å; F37-Y39 VanDerWaalsContact C-N 3.32Å; F37-Y39 PolarHBondContact O-N 2.8Å; Y39-S41 PolarHBondContact O-N 3.1Å; Y39-S41 VanDerWaalsContact O-N 3.13Å; Y39-Q42 PolarHBondContact O-N 2.72Å; Y39-L71 HydrophobicContact CD1-CD1 4.46Å; Y39-L71 HydrophobicContact CE1-CD1 3.96Å; Y39-E74 PolarHBondContact OH-OE1 2.89Å; Y39-E74 PolarHBondContact OH-OE2 3.16Å |
| 40 | Y | 74 | Confident | 67 | Low | 24 Ų | 24 | 71.1 Ų | 71.1 | 9% | 0.094 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -75.3 | 2 | -174.5 | -64 | -79.3 | 0 | 0 | 0 | 115 | L67 L71 I75 Y110 R114 L117 | Y40-L67 WeakPolarHBondContact O-CD2 3.24Å; Y40-L71 HydrophobicContact CD1-CD2 3.64Å; Y40-L71 HydrophobicContact CE1-CD2 4.47Å; Y40-L71 HydrophobicContact CG-CD2 4.35Å; Y40-I75 HydrophobicContact CE1-CD1 4.31Å; Y40-Y110 HydrophobicContact CD1-CD2 4.24Å; Y40-Y110 AromaticContact CD1-CE2 3.64Å; Y40-Y110 HydrophobicContact CD1-CE2 3.64Å; Y40-Y110 HydrophobicContact CE1-CD2 4.07Å; Y40-Y110 AromaticContact CE1-CE2 3.92Å; Y40-Y110 HydrophobicContact CE1-CE2 3.92Å; Y40-Y110 HydrophobicContact CG-CE2 4.23Å; Y40-R114 HydrophobicContact CD2-CG 3.83Å; Y40-R114 HydrophobicContact CE1-CG 4.42Å; Y40-R114 HydrophobicContact CE2-CG 3.59Å; Y40-R114 HydrophobicContact CG-CG 4.34Å; Y40-L117 HydrophobicContact CD2-CD2 4.35Å; Y40-L117 HydrophobicContact CE2-CD2 3.8Å |
| 41 | S | 67.7 | Low | 66.5 | Low | 86 Ų | 86 | 69.6 Ų | 69.6 | 60% | 0.601 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -110.7 | 3.2 | 179 | 59.3 | 0 | 0 | 0 | 0 | 114.5 | K38 Y39 | K38-S41 PolarHBondContact O-N 3.21Å; K38-S41 PolarHBondContact O-OG 2.79Å; K38-S41 VanDerWaalsContact O-OG 3.13Å; Y39-S41 PolarHBondContact O-N 3.1Å; Y39-S41 VanDerWaalsContact O-N 3.13Å |
| 42 | Q | 61.8 | Low | 66.2 | Low | 86 Ų | 86 | 72 Ų | 72 | 40% | 0.402 | 39% | 0.394 | S | S | . | . | trans | -81.9 | 146 | -179.6 | -65.8 | -174.6 | 30.6 | 0 | 0 | 113.4 | H35 K38 Y39 S68 | H35-Q42 VanDerWaalsContact CG-NE2 3.26Å; H35-Q42 PolarHBondContact ND1-NE2 3.48Å; K38-Q42 WeakPolarHBondContact O-CG 3.49Å; Y39-Q42 PolarHBondContact O-N 2.72Å; Q42-S68 PolarHBondContact O-OG 3.28Å | ||
| 43 | V | 52.6 | Low | 65.7 | Low | 128 Ų | 128 | 76.6 Ų | 76.6 | 78% | 0.776 | 42% | 0.416 | S | S | * | . | trans | -108.9 | 94.8 | 176 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 44 | G | 54.9 | Low | 65.3 | Low | 39 Ų | 39 | 77.2 Ų | 77.2 | 40% | 0.402 | 42% | 0.419 | S | S | . | . | trans | -77.6 | 157.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P70 | G44-P70 WeakPolarHBondContact O-CG 3.44Š| ||
| 45 | N | 51.9 | Low | 64.9 | Low | 152 Ų | 152 | 78.2 Ų | 78.2 | 81% | 0.813 | 42% | 0.419 | S | S | * | . | trans | -81.1 | 142.7 | 164.6 | -78.6 | -20.9 | 0 | 0 | 0 | 109.8 | ||||
| 46 | L | 51.6 | Low | 64.7 | Low | 51 Ų | 51 | 81.4 Ų | 81.4 | 27% | 0.267 | 43% | 0.428 | S | S | . | . | trans | -108.9 | 75.5 | -169.1 | -151 | 170 | 0 | 0 | 0 | 111.1 | M49 E69 P70 | L46-M49 HydrophobicContact CD2-CB 4.39Å; L46-M49 HydrophobicContact CD2-CG 3.56Å; L46-E69 HydrophobicContact CD1-CB 3.51Å; L46-P70 HydrophobicContact CB-CG 4.08Å; L46-P70 HydrophobicContact CD1-CB 4.37Å; L46-P70 HydrophobicContact CD1-CG 4.16Å; L46-P70 HydrophobicContact CG-CB 4.18Å; L46-P70 HydrophobicContact CG-CG 4.12Å | ||
| 47 | D | 48 | Very low | 64.5 | Low | 141 Ų | 141 | 82 Ų | 82 | 75% | 0.754 | 43% | 0.431 | S | S | * | . | trans | -81.5 | 124.9 | -179.8 | -73.7 | -39.9 | 0 | 0 | 0 | 112.1 | ||||
| 48 | T | 51.3 | Low | 64.4 | Low | 138 Ų | 138 | 81.3 Ų | 81.3 | 85% | 0.847 | 43% | 0.428 | S | S | * | . | trans | 63.3 | 77.9 | 171.5 | 58.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 49 | M | 55.6 | Low | 64.3 | Low | 68 Ų | 68 | 81.9 Ų | 81.9 | 34% | 0.335 | 43% | 0.431 | S | S | . | . | trans | -93.4 | 132.8 | 157.7 | -87 | -71.8 | 107.2 | 0 | 0 | 111.9 | L46 H73 | L46-M49 HydrophobicContact CD2-CB 4.39Å; L46-M49 HydrophobicContact CD2-CG 3.56Å; M49-H73 VanDerWaalsContact CE-CE1 3.45Å; M49-H73 WeakPolarHBondContact CE-CE1 3.4Å; M49-H73 WeakPolarHBondContact CE-NE2 3.47Å | ||
| 50 | S | 53.2 | Low | 64.3 | Low | 116 Ų | 116 | 86.1 Ų | 86.1 | 81% | 0.811 | 45% | 0.447 | S | S | * | . | trans | -98.8 | -23.5 | -170.8 | 59.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 51 | K | 66.5 | Low | 64.3 | Low | 77 Ų | 77 | 85 Ų | 85 | 34% | 0.335 | 44% | 0.443 | S | S | . | . | trans | -120.5 | 120.4 | -177 | -62.3 | -179.8 | -173.1 | 175.3 | 0 | 111.6 | H53 V54 R55 D87 D88 | K51-H53 PolarHBondContact O-N 2.92Å; K51-V54 HydrophobicContact CB-CB 4.48Å; K51-V54 HydrophobicContact CB-CG2 4.04Å; K51-V54 PolarHBondContact O-N 3.44Å; K51-R55 PolarHBondContact O-N 2.82Å; K51-D87 PolarHBondContact NZ-O 3.29Å; K51-D88 IonicContact NZ-OD1 3.33Å; K51-D88 PolarHBondContact NZ-OD1 2.65Å | ||
| 52 | E | 69.6 | Low | 64.9 | Low | 101 Ų | 101 | 82 Ų | 82 | 47% | 0.472 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.4 | -32.4 | -175.7 | 166.8 | 64.3 | -174.9 | 0 | 0 | 113.9 | R55 R56 | E52-R55 WeakPolarHBondContact O-CB 3.44Å; E52-R55 PolarHBondContact O-N 2.99Å; E52-R56 VanDerWaalsContact CG-NH2 3.33Å; E52-R56 WeakPolarHBondContact O-CG 3.25Å; E52-R56 PolarHBondContact O-N 3.07Å; E52-R56 VanDerWaalsContact O-N 3.08Å; E52-R56 IonicContact OE1-CZ 2.96Å; E52-R56 IonicContact OE1-NE 3.59Å; E52-R56 PolarHBondContact OE1-NE 3.37Å; E52-R56 IonicContact OE1-NH2 2.72Å; E52-R56 PolarHBondContact OE1-NH2 3.43Å |
| 53 | H | 67.7 | Low | 65.4 | Low | 104 Ų | 104 | 80.9 Ų | 80.9 | 48% | 0.481 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67 | -41.8 | 176.8 | -63.9 | 136.9 | 0 | 0 | 0 | 112.4 | K51 R55 R56 L57 D91 | K51-H53 PolarHBondContact O-N 2.92Å; H53-R55 VanDerWaalsContact C-N 3.29Å; H53-R55 PolarHBondContact O-N 3.39Å; H53-R56 PolarHBondContact O-N 3.21Å; H53-R56 VanDerWaalsContact O-N 3.14Å; H53-L57 PolarHBondContact O-N 3.47Å; H53-D91 IonicContact ND1-OD1 2.66Å |
| 54 | V | 69.1 | Low | 66.4 | Low | 12 Ų | 12 | 78.3 Ų | 78.3 | 7% | 0.073 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 172.1 | -178.4 | 0 | 0 | 0 | 0 | 110 | K51 R56 L57 V58 L76 I90 | K51-V54 HydrophobicContact CB-CB 4.48Å; K51-V54 HydrophobicContact CB-CG2 4.04Å; K51-V54 PolarHBondContact O-N 3.44Å; V54-R56 VanDerWaalsContact C-N 3.3Å; V54-R56 PolarHBondContact O-N 2.63Å; V54-L57 PolarHBondContact O-N 2.93Å; V54-L57 VanDerWaalsContact O-N 3.15Å; V54-V58 HydrophobicContact CG1-CG2 4.15Å; V54-V58 WeakPolarHBondContact O-CB 3.22Å; V54-V58 VanDerWaalsContact O-CG2 3.3Å; V54-V58 WeakPolarHBondContact O-CG2 3.42Å; V54-V58 PolarHBondContact O-N 3.49Å; V54-L76 HydrophobicContact CG1-CD2 4.04Å; V54-I90 HydrophobicContact CG2-CD1 4.08Å; V54-I90 HydrophobicContact CG2-CG2 4.43Å |
| 55 | R | 74.5 | Confident | 67.1 | Low | 109 Ų | 109 | 77.3 Ų | 77.3 | 41% | 0.411 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.7 | -35.9 | 176.8 | -162.8 | 177.7 | -167.3 | 168.5 | 8.8 | 113.2 | K51 E52 H53 K59 | K51-R55 PolarHBondContact O-N 2.82Å; E52-R55 WeakPolarHBondContact O-CB 3.44Å; E52-R55 PolarHBondContact O-N 2.99Å; H53-R55 VanDerWaalsContact C-N 3.29Å; H53-R55 PolarHBondContact O-N 3.39Å; R55-K59 WeakPolarHBondContact O-CB 3.39Å; R55-K59 WeakPolarHBondContact O-CG 3.41Å; R55-K59 PolarHBondContact O-N 2.86Å |
| 56 | R | 74.4 | Confident | 68.2 | Low | 143 Ų | 143 | 77.3 Ų | 77.3 | 54% | 0.54 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -71.3 | -37.8 | 174.5 | -67.4 | 176.8 | -167 | 162.4 | 7.5 | 112.6 | E52 H53 V54 R60 | E52-R56 VanDerWaalsContact CG-NH2 3.33Å; E52-R56 WeakPolarHBondContact O-CG 3.25Å; E52-R56 PolarHBondContact O-N 3.07Å; E52-R56 VanDerWaalsContact O-N 3.08Å; E52-R56 IonicContact OE1-CZ 2.96Å; E52-R56 IonicContact OE1-NE 3.59Å; E52-R56 PolarHBondContact OE1-NE 3.37Å; E52-R56 IonicContact OE1-NH2 2.72Å; E52-R56 PolarHBondContact OE1-NH2 3.43Å; H53-R56 PolarHBondContact O-N 3.21Å; H53-R56 VanDerWaalsContact O-N 3.14Å; V54-R56 VanDerWaalsContact C-N 3.3Å; V54-R56 PolarHBondContact O-N 2.63Å; R56-R60 WeakPolarHBondContact O-CB 3.34Å; R56-R60 PolarHBondContact O-N 3.47Å |
| 57 | L | 74.4 | Confident | 69.3 | Low | 13 Ų | 13 | 75.7 Ų | 75.7 | 7% | 0.068 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.6 | -49.2 | 173.8 | -175.3 | 67.1 | 0 | 0 | 0 | 110.6 | H53 V54 K59 R60 M61 L76 L94 L102 | H53-L57 PolarHBondContact O-N 3.47Å; V54-L57 PolarHBondContact O-N 2.93Å; V54-L57 VanDerWaalsContact O-N 3.15Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 3.49Å; L57-R60 CarbonylContact O-C 3.54Å; L57-R60 WeakPolarHBondContact O-CA 3.28Å; L57-R60 WeakPolarHBondContact O-CB 3.3Å; L57-R60 PolarHBondContact O-N 2.83Å; L57-M61 HydrophobicContact CG-SD 4.14Å; L57-M61 WeakPolarHBondContact O-CG 3.46Å; L57-M61 PolarHBondContact O-N 2.94Å; L57-L76 HydrophobicContact CD2-CD1 4.06Å; L57-L76 HydrophobicContact CD2-CD2 3.94Å; L57-L94 HydrophobicContact CD1-CD2 4.15Å; L57-L94 HydrophobicContact CD2-CD1 4.39Å; L57-L94 HydrophobicContact CD2-CD2 4.17Å; L57-L102 HydrophobicContact CD2-CD2 4.35Å |
| 58 | V | 76.8 | Confident | 70.7 | Confident | 3 Ų | 3 | 70.3 Ų | 70.3 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.6 | -43.3 | 176.4 | 167.7 | 0 | 0 | 0 | 0 | 111.6 | V54 R60 M61 S62 E69 H73 L76 | V54-V58 HydrophobicContact CG1-CG2 4.15Å; V54-V58 WeakPolarHBondContact O-CB 3.22Å; V54-V58 VanDerWaalsContact O-CG2 3.3Å; V54-V58 WeakPolarHBondContact O-CG2 3.42Å; V54-V58 PolarHBondContact O-N 3.49Å; V58-R60 VanDerWaalsContact C-N 3.33Å; V58-R60 PolarHBondContact O-N 2.83Å; V58-M61 PolarHBondContact O-N 3Å; V58-S62 WeakPolarHBondContact O-CB 3.22Å; V58-S62 PolarHBondContact O-N 2.92Å; V58-S62 PolarHBondContact O-OG 2.91Å; V58-E69 HydrophobicContact CG1-CB 4.33Å; V58-E69 WeakPolarHBondContact CG1-O 3.45Å; V58-H73 HydrophobicContact CG1-CB 4.08Å; V58-H73 HydrophobicContact CG2-CB 3.86Å; V58-L76 HydrophobicContact CG2-CD2 3.94Å |
| 59 | K | 78.5 | Confident | 71.8 | Confident | 108 Ų | 108 | 66.7 Ų | 66.7 | 47% | 0.47 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.1 | -29.9 | 173.3 | -81.6 | -175.3 | 163.6 | -173.5 | 0 | 114.5 | R55 L57 S62 E69 | R55-K59 WeakPolarHBondContact O-CB 3.39Å; R55-K59 WeakPolarHBondContact O-CG 3.41Å; R55-K59 PolarHBondContact O-N 2.86Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 3.49Å; K59-S62 WeakPolarHBondContact CA-OG 3.14Å; K59-S62 PolarHBondContact O-OG 2.85Å; K59-E69 WeakPolarHBondContact CE-OE1 3.3Å; K59-E69 WeakPolarHBondContact CE-OE2 3.29Å; K59-E69 HydrophobicContact CG-CG 4.18Å; K59-E69 IonicContact NZ-OE1 2.81Å |
| 60 | R | 76.1 | Confident | 72.6 | Confident | 110 Ų | 110 | 65 Ų | 65 | 42% | 0.415 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -77.5 | -31.6 | 174.5 | -169.8 | 172.2 | 177.4 | -163.8 | -10.2 | 111.4 | R56 L57 V58 F64 T99 N100 L103 | R56-R60 WeakPolarHBondContact O-CB 3.34Å; R56-R60 PolarHBondContact O-N 3.47Å; L57-R60 CarbonylContact O-C 3.54Å; L57-R60 WeakPolarHBondContact O-CA 3.28Å; L57-R60 WeakPolarHBondContact O-CB 3.3Å; L57-R60 PolarHBondContact O-N 2.83Å; V58-R60 VanDerWaalsContact C-N 3.33Å; V58-R60 PolarHBondContact O-N 2.83Å; R60-F64 VanDerWaalsContact O-CB 3.23Å; R60-F64 WeakPolarHBondContact O-CB 3.41Å; R60-F64 PolarHBondContact O-N 3.27Å; R60-T99 PolarHBondContact NH1-OG1 2.95Å; R60-T99 VanDerWaalsContact NH1-OG1 3.13Å; R60-N100 PolarHBondContact NH2-OD1 2.92Å; R60-L103 HydrophobicContact CG-CD1 4.21Å |
| 61 | M | 74.8 | Confident | 73.6 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.7 | -44.6 | 172.1 | -71.7 | 172.4 | 53.6 | 0 | 0 | 112.2 | L57 V58 G63 F64 L65 S72 L76 L103 I106 | L57-M61 HydrophobicContact CG-SD 4.14Å; L57-M61 WeakPolarHBondContact O-CG 3.46Å; L57-M61 PolarHBondContact O-N 2.94Å; V58-M61 PolarHBondContact O-N 3Å; M61-G63 VanDerWaalsContact C-N 3.29Å; M61-G63 PolarHBondContact O-N 2.9Å; M61-F64 CarbonylContact O-C 3.37Å; M61-F64 PolarHBondContact O-N 3.29Å; M61-L65 HydrophobicContact CE-CD1 4.39Å; M61-L65 WeakPolarHBondContact O-CB 3.37Å; M61-L65 WeakPolarHBondContact O-CG 3.23Å; M61-L65 PolarHBondContact O-N 2.96Å; M61-S72 WeakPolarHBondContact CE-O 3.39Å; M61-L76 HydrophobicContact CE-CB 3.93Å; M61-L76 HydrophobicContact SD-CB 4.13Å; M61-L76 HydrophobicContact SD-CD1 4.06Å; M61-L76 HydrophobicContact SD-CD2 4.31Å; M61-L76 HydrophobicContact SD-CG 4.39Å; M61-L103 HydrophobicContact CB-CD2 4.49Å; M61-L103 HydrophobicContact CG-CD2 3.52Å; M61-I106 HydrophobicContact CE-CD1 4.47Å; M61-I106 HydrophobicContact CE-CG2 3.64Å; M61-I106 HydrophobicContact SD-CD1 4.14Å |
| 62 | S | 78.6 | Confident | 74.1 | Confident | 21 Ų | 21 | 56.7 Ų | 56.7 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.8 | -42.6 | -178.9 | 63.6 | 0 | 0 | 0 | 0 | 111.8 | V58 K59 F64 D66 L67 S72 | V58-S62 WeakPolarHBondContact O-CB 3.22Å; V58-S62 PolarHBondContact O-N 2.92Å; V58-S62 PolarHBondContact O-OG 2.91Å; K59-S62 WeakPolarHBondContact CA-OG 3.14Å; K59-S62 PolarHBondContact O-OG 2.85Å; S62-F64 VanDerWaalsContact C-N 3.35Å; S62-D66 WeakPolarHBondContact O-CA 3.31Å; S62-D66 PolarHBondContact O-N 3.31Å; S62-D66 VanDerWaalsContact O-N 3.14Å; S62-L67 WeakPolarHBondContact CB-O 3.27Å; S62-L67 PolarHBondContact O-N 2.92Å; S62-L67 VanDerWaalsContact O-N 3.16Å; S62-S72 VanDerWaalsContact CA-OG 3.3Å; S62-S72 WeakPolarHBondContact CA-OG 3.37Å; S62-S72 WeakPolarHBondContact CB-OG 3.42Å |
| 63 | G | 73.9 | Confident | 74.5 | Confident | 63 Ų | 63 | 54 Ų | 54 | 65% | 0.649 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -84.5 | 7.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | M61 | M61-G63 VanDerWaalsContact C-N 3.29Å; M61-G63 PolarHBondContact O-N 2.9Å |
| 64 | F | 72.9 | Confident | 74.8 | Confident | 74 Ų | 74 | 52.2 Ų | 52.2 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -114 | -18.5 | 173.1 | -175.7 | -109.5 | 0 | 0 | 0 | 112.5 | R60 M61 S62 L103 R107 | R60-F64 VanDerWaalsContact O-CB 3.23Å; R60-F64 WeakPolarHBondContact O-CB 3.41Å; R60-F64 PolarHBondContact O-N 3.27Å; M61-F64 CarbonylContact O-C 3.37Å; M61-F64 PolarHBondContact O-N 3.29Å; S62-F64 VanDerWaalsContact C-N 3.35Å; F64-L103 HydrophobicContact CD1-CB 4.09Å; F64-L103 HydrophobicContact CD1-CD2 4.28Å; F64-L103 HydrophobicContact CE1-CB 3.85Å; F64-L103 HydrophobicContact CZ-CB 4.47Å; F64-R107 HydrophobicContact CE1-CB 4.14Å |
| 65 | L | 69.9 | Low | 75.1 | Confident | 18 Ų | 18 | 52.2 Ų | 52.2 | 9% | 0.094 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -114.4 | -5.4 | 179.9 | -57.2 | 178 | 0 | 0 | 0 | 113.4 | M61 L67 R107 Y110 | M61-L65 HydrophobicContact CE-CD1 4.39Å; M61-L65 WeakPolarHBondContact O-CB 3.37Å; M61-L65 WeakPolarHBondContact O-CG 3.23Å; M61-L65 PolarHBondContact O-N 2.96Å; L65-L67 HydrophobicContact CB-CB 4.47Å; L65-L67 HydrophobicContact CB-CD1 3.87Å; L65-L67 HydrophobicContact CB-CG 3.96Å; L65-L67 HydrophobicContact CD1-CD1 4.18Å; L65-R107 HydrophobicContact CD2-CB 3.85Å; L65-R107 HydrophobicContact CD2-CG 3.85Å; L65-Y110 HydrophobicContact CB-CE1 4.43Å; L65-Y110 HydrophobicContact CD2-CD1 4.07Å |
| 66 | D | 73.9 | Confident | 75.1 | Confident | 153 Ų | 153 | 47.2 Ų | 47.2 | 82% | 0.818 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 54.3 | -168.3 | -76.3 | -30.7 | 0 | 0 | 0 | 113 | S62 | S62-D66 WeakPolarHBondContact O-CA 3.31Å; S62-D66 PolarHBondContact O-N 3.31Å; S62-D66 VanDerWaalsContact O-N 3.14Å |
| 67 | L | 75 | Confident | 75 | Confident | 17 Ų | 17 | 42.7 Ų | 42.7 | 9% | 0.089 | 23% | 0.228 | C | C | . | . | trans | -124.1 | 159.8 | -179.7 | -67.1 | 178.6 | 0 | 0 | 0 | 111.6 | Y40 S62 L65 L71 I75 Y110 | Y40-L67 WeakPolarHBondContact O-CD2 3.24Å; S62-L67 WeakPolarHBondContact CB-O 3.27Å; S62-L67 PolarHBondContact O-N 2.92Å; S62-L67 VanDerWaalsContact O-N 3.16Å; L65-L67 HydrophobicContact CB-CB 4.47Å; L65-L67 HydrophobicContact CB-CD1 3.87Å; L65-L67 HydrophobicContact CB-CG 3.96Å; L65-L67 HydrophobicContact CD1-CD1 4.18Å; L67-L71 HydrophobicContact CD2-CD2 4.11Å; L67-I75 HydrophobicContact CD1-CD1 3.36Å; L67-Y110 HydrophobicContact CD1-CD2 4.11Å; L67-Y110 HydrophobicContact CD1-CE1 4.38Å; L67-Y110 HydrophobicContact CD1-CE2 3.78Å; L67-Y110 HydrophobicContact CD2-CE2 4.22Å; L67-Y110 HydrophobicContact CG-CE2 4.48Å | ||
| 68 | S | 77.9 | Confident | 74.6 | Confident | 28 Ų | 28 | 45.1 Ų | 45.1 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | trans | -68.7 | 150.5 | 173.3 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | Q42 L71 S72 | Q42-S68 PolarHBondContact O-OG 3.28Å; S68-L71 PolarHBondContact O-N 3.01Å; S68-S72 WeakPolarHBondContact O-CB 3.42Å; S68-S72 PolarHBondContact O-N 3.41Å; S68-S72 PolarHBondContact O-OG 2.76Å | ||
| 69 | E | 73.6 | Confident | 74.3 | Confident | 61 Ų | 61 | 45.2 Ų | 45.2 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -53.4 | -41.5 | 178.8 | -74.9 | -176 | -138.4 | 0 | 0 | 113.7 | L46 V58 K59 S72 H73 | L46-E69 HydrophobicContact CD1-CB 3.51Å; V58-E69 HydrophobicContact CG1-CB 4.33Å; V58-E69 WeakPolarHBondContact CG1-O 3.45Å; K59-E69 WeakPolarHBondContact CE-OE1 3.3Å; K59-E69 WeakPolarHBondContact CE-OE2 3.29Å; K59-E69 HydrophobicContact CG-CG 4.18Å; K59-E69 IonicContact NZ-OE1 2.81Å; E69-S72 PolarHBondContact O-N 3.48Å; E69-H73 PolarHBondContact O-N 2.86Å; E69-H73 VanDerWaalsContact O-N 3.09Å |
| 70 | P | 73.7 | Confident | 73.7 | Confident | 34 Ų | 34 | 40.5 Ų | 40.5 | 22% | 0.221 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.7 | -43.5 | 178.6 | -8.8 | 19.6 | 0 | 0 | 0 | 112.3 | G44 L46 S72 H73 E74 | G44-P70 WeakPolarHBondContact O-CG 3.44Å; L46-P70 HydrophobicContact CB-CG 4.08Å; L46-P70 HydrophobicContact CD1-CB 4.37Å; L46-P70 HydrophobicContact CD1-CG 4.16Å; L46-P70 HydrophobicContact CG-CB 4.18Å; L46-P70 HydrophobicContact CG-CG 4.12Å; P70-S72 VanDerWaalsContact C-N 3.3Å; P70-S72 PolarHBondContact O-N 3.49Å; P70-H73 WeakPolarHBondContact O-CB 3.38Å; P70-H73 PolarHBondContact O-N 3.04Å; P70-H73 VanDerWaalsContact O-N 3.12Å; P70-E74 PolarHBondContact O-N 3.45Å |
| 71 | L | 73.3 | Confident | 72.9 | Confident | 18 Ų | 18 | 38.5 Ų | 38.5 | 9% | 0.094 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.4 | -32.9 | -179.1 | -147.4 | 88.6 | 0 | 0 | 0 | 111.6 | Y39 Y40 L67 S68 H73 E74 I75 | Y39-L71 HydrophobicContact CD1-CD1 4.46Å; Y39-L71 HydrophobicContact CE1-CD1 3.96Å; Y40-L71 HydrophobicContact CD1-CD2 3.64Å; Y40-L71 HydrophobicContact CE1-CD2 4.47Å; Y40-L71 HydrophobicContact CG-CD2 4.35Å; L67-L71 HydrophobicContact CD2-CD2 4.11Å; S68-L71 PolarHBondContact O-N 3.01Å; L71-H73 VanDerWaalsContact C-N 3.29Å; L71-H73 PolarHBondContact O-N 3.17Å; L71-E74 PolarHBondContact O-N 3.14Å; L71-I75 WeakPolarHBondContact O-CB 3.31Å; L71-I75 VanDerWaalsContact O-CG1 3.31Å; L71-I75 WeakPolarHBondContact O-CG1 3.18Å; L71-I75 PolarHBondContact O-N 3.13Å |
| 72 | S | 77.7 | Confident | 72 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.2 | -35.5 | 171.6 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | M61 S62 S68 E69 P70 L76 | M61-S72 WeakPolarHBondContact CE-O 3.39Å; S62-S72 VanDerWaalsContact CA-OG 3.3Å; S62-S72 WeakPolarHBondContact CA-OG 3.37Å; S62-S72 WeakPolarHBondContact CB-OG 3.42Å; S68-S72 WeakPolarHBondContact O-CB 3.42Å; S68-S72 PolarHBondContact O-N 3.41Å; S68-S72 PolarHBondContact O-OG 2.76Å; E69-S72 PolarHBondContact O-N 3.48Å; P70-S72 VanDerWaalsContact C-N 3.3Å; P70-S72 PolarHBondContact O-N 3.49Å; S72-L76 WeakPolarHBondContact O-CB 3.37Å; S72-L76 PolarHBondContact O-N 2.95Å; S72-L76 VanDerWaalsContact O-N 3.17Å |
| 73 | H | 77 | Confident | 71.2 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 20% | 0.199 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72 | -42.7 | 172.1 | 177.2 | 62.8 | 0 | 0 | 0 | 112.6 | M49 V58 E69 P70 L71 I75 L76 V77 | M49-H73 VanDerWaalsContact CE-CE1 3.45Å; M49-H73 WeakPolarHBondContact CE-CE1 3.4Å; M49-H73 WeakPolarHBondContact CE-NE2 3.47Å; V58-H73 HydrophobicContact CG1-CB 4.08Å; V58-H73 HydrophobicContact CG2-CB 3.86Å; E69-H73 PolarHBondContact O-N 2.86Å; E69-H73 VanDerWaalsContact O-N 3.09Å; P70-H73 WeakPolarHBondContact O-CB 3.38Å; P70-H73 PolarHBondContact O-N 3.04Å; P70-H73 VanDerWaalsContact O-N 3.12Å; L71-H73 VanDerWaalsContact C-N 3.29Å; L71-H73 PolarHBondContact O-N 3.17Å; H73-I75 VanDerWaalsContact C-N 3.34Å; H73-I75 PolarHBondContact O-N 3.41Å; H73-L76 WeakPolarHBondContact O-CB 3.21Å; H73-L76 PolarHBondContact O-N 2.95Å; H73-L76 VanDerWaalsContact O-N 3.09Å; H73-V77 WeakPolarHBondContact CE1-CG2 3.31Å; H73-V77 WeakPolarHBondContact NE2-CG2 2.97Å; H73-V77 WeakPolarHBondContact O-CG2 3.38Å; H73-V77 PolarHBondContact O-N 3.05Å |
| 74 | E | 74.6 | Confident | 70.2 | Confident | 68 Ų | 68 | 46 Ų | 46 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 176.4 | -173.7 | -177.9 | -113.6 | 0 | 0 | 111.7 | Y39 P70 L71 L76 V77 H78 | Y39-E74 PolarHBondContact OH-OE1 2.89Å; Y39-E74 PolarHBondContact OH-OE2 3.16Å; P70-E74 PolarHBondContact O-N 3.45Å; L71-E74 PolarHBondContact O-N 3.14Å; E74-L76 VanDerWaalsContact C-N 3.34Å; E74-L76 PolarHBondContact O-N 3.37Å; E74-V77 PolarHBondContact O-N 3.31Å; E74-H78 WeakPolarHBondContact O-CB 3.04Å; E74-H78 PolarHBondContact O-CD2 3.45Å; E74-H78 PolarHBondContact O-N 3.01Å |
| 75 | I | 75.5 | Confident | 69.5 | Low | 11 Ų | 11 | 43.8 Ų | 43.8 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.2 | -38.8 | 173.7 | -71 | 165.8 | 0 | 0 | 0 | 111.5 | Y40 L67 L71 H73 F79 I106 Y109 Y110 | Y40-I75 HydrophobicContact CE1-CD1 4.31Å; L67-I75 HydrophobicContact CD1-CD1 3.36Å; L71-I75 WeakPolarHBondContact O-CB 3.31Å; L71-I75 VanDerWaalsContact O-CG1 3.31Å; L71-I75 WeakPolarHBondContact O-CG1 3.18Å; L71-I75 PolarHBondContact O-N 3.13Å; H73-I75 VanDerWaalsContact C-N 3.34Å; H73-I75 PolarHBondContact O-N 3.41Å; I75-F79 VanDerWaalsContact O-CB 3.28Å; I75-F79 WeakPolarHBondContact O-CB 3.38Å; I75-F79 PolarHBondContact O-N 3.42Å; I75-I106 HydrophobicContact CG2-CG2 4.01Å; I75-Y109 HydrophobicContact CG2-CD1 4.24Å; I75-Y109 HydrophobicContact CG2-CE1 4.47Å; I75-Y110 HydrophobicContact CD1-CD2 3.77Å; I75-Y110 HydrophobicContact CD1-CE2 4.32Å; I75-Y110 HydrophobicContact CD1-CG 4.45Å |
| 76 | L | 75.5 | Confident | 68.7 | Low | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 175.6 | -179.8 | 62.9 | 0 | 0 | 0 | 111.4 | V54 L57 V58 M61 S72 H73 E74 H78 F79 L80 I106 | V54-L76 HydrophobicContact CG1-CD2 4.04Å; L57-L76 HydrophobicContact CD2-CD1 4.06Å; L57-L76 HydrophobicContact CD2-CD2 3.94Å; V58-L76 HydrophobicContact CG2-CD2 3.94Å; M61-L76 HydrophobicContact CE-CB 3.93Å; M61-L76 HydrophobicContact SD-CB 4.13Å; M61-L76 HydrophobicContact SD-CD1 4.06Å; M61-L76 HydrophobicContact SD-CD2 4.31Å; M61-L76 HydrophobicContact SD-CG 4.39Å; S72-L76 WeakPolarHBondContact O-CB 3.37Å; S72-L76 PolarHBondContact O-N 2.95Å; S72-L76 VanDerWaalsContact O-N 3.17Å; H73-L76 WeakPolarHBondContact O-CB 3.21Å; H73-L76 PolarHBondContact O-N 2.95Å; H73-L76 VanDerWaalsContact O-N 3.09Å; E74-L76 VanDerWaalsContact C-N 3.34Å; E74-L76 PolarHBondContact O-N 3.37Å; L76-H78 PolarHBondContact O-N 2.8Å; L76-F79 PolarHBondContact O-N 3.45Å; L76-L80 HydrophobicContact CD1-CD1 4.12Å; L76-L80 HydrophobicContact CD1-CG 4.26Å; L76-L80 HydrophobicContact CG-CD1 3.92Å; L76-L80 HydrophobicContact CG-CG 4.47Å; L76-L80 WeakPolarHBondContact O-CB 3.34Å; L76-L80 VanDerWaalsContact O-CG 3.25Å; L76-L80 WeakPolarHBondContact O-CG 3.5Å; L76-L80 PolarHBondContact O-N 2.89Å; L76-I106 HydrophobicContact CD1-CD1 3.87Å |
| 77 | V | 71 | Confident | 67.8 | Low | 49 Ų | 49 | 42.7 Ų | 42.7 | 30% | 0.297 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 177.3 | 172 | 0 | 0 | 0 | 0 | 110.8 | H73 E74 F79 L80 A81 | H73-V77 WeakPolarHBondContact CE1-CG2 3.31Å; H73-V77 WeakPolarHBondContact NE2-CG2 2.97Å; H73-V77 WeakPolarHBondContact O-CG2 3.38Å; H73-V77 PolarHBondContact O-N 3.05Å; E74-V77 PolarHBondContact O-N 3.31Å; V77-F79 VanDerWaalsContact C-N 3.31Å; V77-F79 PolarHBondContact O-N 3.04Å; V77-L80 PolarHBondContact O-N 3.27Å; V77-A81 VanDerWaalsContact O-CB 3.28Å; V77-A81 WeakPolarHBondContact O-CB 3.45Å; V77-A81 PolarHBondContact O-N 3.31Å |
| 78 | H | 67 | Low | 67 | Low | 63 Ų | 63 | 47.5 Ų | 47.5 | 29% | 0.292 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.9 | -28.7 | 176.8 | -77.3 | -39.3 | 0 | 0 | 0 | 113.3 | E74 L76 V82 Y109 | E74-H78 WeakPolarHBondContact O-CB 3.04Å; E74-H78 PolarHBondContact O-CD2 3.45Å; E74-H78 PolarHBondContact O-N 3.01Å; L76-H78 PolarHBondContact O-N 2.8Å; H78-V82 VanDerWaalsContact O-CG2 3.25Å; H78-V82 WeakPolarHBondContact O-CG2 3.46Å; H78-Y109 HydrophobicContact CB-CE1 4.38Å; H78-Y109 VanDerWaalsContact CB-OH 3.27Å; H78-Y109 WeakPolarHBondContact CB-OH 3.17Å; H78-Y109 PolarHBondContact O-OH 3.28Å |
| 79 | F | 68.9 | Low | 65.9 | Low | 5 Ų | 5 | 52.6 Ų | 52.6 | 2% | 0.022 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.6 | -48.3 | 172.6 | 173.4 | -95 | 0 | 0 | 0 | 111.4 | I75 L76 V77 A81 V82 E83 L102 D105 I106 Y109 | I75-F79 VanDerWaalsContact O-CB 3.28Å; I75-F79 WeakPolarHBondContact O-CB 3.38Å; I75-F79 PolarHBondContact O-N 3.42Å; L76-F79 PolarHBondContact O-N 3.45Å; V77-F79 VanDerWaalsContact C-N 3.31Å; V77-F79 PolarHBondContact O-N 3.04Å; F79-A81 VanDerWaalsContact C-N 3.3Å; F79-A81 PolarHBondContact O-N 3.27Å; F79-V82 WeakPolarHBondContact O-CB 3.46Å; F79-V82 PolarHBondContact O-N 3.46Å; F79-E83 HydrophobicContact CD2-CG 4.48Å; F79-E83 HydrophobicContact CE1-CG 4.03Å; F79-E83 HydrophobicContact CE2-CG 3.99Å; F79-E83 HydrophobicContact CZ-CG 3.75Å; F79-E83 PolarHBondContact O-N 2.91Å; F79-L102 HydrophobicContact CE1-CD1 3.92Å; F79-L102 HydrophobicContact CZ-CD1 4.41Å; F79-D105 HydrophobicContact CE2-CB 4.37Å; F79-D105 HydrophobicContact CZ-CB 4.34Å; F79-I106 HydrophobicContact CB-CG1 4.44Å; F79-I106 HydrophobicContact CD1-CD1 4.16Å; F79-I106 HydrophobicContact CD1-CG1 3.61Å; F79-I106 HydrophobicContact CD2-CG1 3.91Å; F79-I106 HydrophobicContact CE1-CD1 4.27Å; F79-I106 HydrophobicContact CE1-CG1 3.7Å; F79-I106 HydrophobicContact CE2-CG1 3.99Å; F79-I106 HydrophobicContact CG-CG1 3.72Å; F79-I106 HydrophobicContact CZ-CG1 3.89Å; F79-Y109 HydrophobicContact CB-CD1 4.26Å; F79-Y109 HydrophobicContact CB-CD2 4.38Å; F79-Y109 HydrophobicContact CB-CE1 4.26Å; F79-Y109 HydrophobicContact CB-CE2 4.32Å; F79-Y109 HydrophobicContact CB-CG 4.33Å; F79-Y109 HydrophobicContact CD2-CD1 4.44Å; F79-Y109 AromaticContact CD2-CD2 3.68Å; F79-Y109 HydrophobicContact CD2-CD2 3.68Å; F79-Y109 HydrophobicContact CD2-CE2 4.32Å; F79-Y109 AromaticContact CD2-CG 3.74Å; F79-Y109 HydrophobicContact CD2-CG 3.74Å |
| 80 | L | 66 | Low | 65.3 | Low | 10 Ų | 10 | 50.3 Ų | 50.3 | 5% | 0.052 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.4 | -42 | 176.8 | -68.9 | 167.6 | 0 | 0 | 0 | 111.6 | L76 V77 V82 D84 I85 I90 | L76-L80 HydrophobicContact CD1-CD1 4.12Å; L76-L80 HydrophobicContact CD1-CG 4.26Å; L76-L80 HydrophobicContact CG-CD1 3.92Å; L76-L80 HydrophobicContact CG-CG 4.47Å; L76-L80 WeakPolarHBondContact O-CB 3.34Å; L76-L80 VanDerWaalsContact O-CG 3.25Å; L76-L80 WeakPolarHBondContact O-CG 3.5Å; L76-L80 PolarHBondContact O-N 2.89Å; V77-L80 PolarHBondContact O-N 3.27Å; L80-V82 PolarHBondContact O-N 2.98Å; L80-V82 VanDerWaalsContact O-N 3.09Å; L80-D84 PolarHBondContact O-N 3.41Å; L80-I85 HydrophobicContact CD2-CB 3.75Å; L80-I85 HydrophobicContact CD2-CD1 4.21Å; L80-I85 HydrophobicContact CD2-CG2 3.66Å; L80-I85 PolarHBondContact O-N 3.44Å; L80-I90 HydrophobicContact CD1-CD1 3.59Å; L80-I90 HydrophobicContact CD1-CG1 3.92Å; L80-I90 HydrophobicContact CD2-CG1 4.24Å |
| 81 | A | 60.5 | Low | 64.5 | Low | 68 Ų | 68 | 52.6 Ų | 52.6 | 56% | 0.562 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 1.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V77 F79 | V77-A81 VanDerWaalsContact O-CB 3.28Å; V77-A81 WeakPolarHBondContact O-CB 3.45Å; V77-A81 PolarHBondContact O-N 3.31Å; F79-A81 VanDerWaalsContact C-N 3.3Å; F79-A81 PolarHBondContact O-N 3.27Å |
| 82 | V | 56.2 | Low | 63.8 | Low | 43 Ų | 43 | 57.9 Ų | 57.9 | 26% | 0.261 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -36.9 | 178.9 | 163.8 | 0 | 0 | 0 | 0 | 112.2 | M1 H78 F79 L80 D84 Y109 | M1-V82 HydrophobicContact CB-CG2 3.71Å; M1-V82 HydrophobicContact CE-CG1 3.67Å; M1-V82 HydrophobicContact CG-CG1 4.34Å; M1-V82 HydrophobicContact CG-CG2 4.07Å; M1-V82 HydrophobicContact SD-CB 4.48Å; M1-V82 HydrophobicContact SD-CG1 3.71Å; M1-V82 HydrophobicContact SD-CG2 3.87Å; H78-V82 VanDerWaalsContact O-CG2 3.25Å; H78-V82 WeakPolarHBondContact O-CG2 3.46Å; F79-V82 WeakPolarHBondContact O-CB 3.46Å; F79-V82 PolarHBondContact O-N 3.46Å; L80-V82 PolarHBondContact O-N 2.98Å; L80-V82 VanDerWaalsContact O-N 3.09Å; V82-D84 PolarHBondContact O-N 2.94Å; V82-Y109 HydrophobicContact CB-CE2 4.04Å; V82-Y109 HydrophobicContact CG1-CE2 4.09Å; V82-Y109 HydrophobicContact CG2-CE2 4.06Å |
| 83 | E | 61.2 | Low | 62.7 | Low | 100 Ų | 100 | 59.3 Ų | 59.3 | 47% | 0.467 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 5.3 | 167.6 | -61 | -57.8 | 138.5 | 0 | 0 | 112.6 | F79 I85 | F79-E83 HydrophobicContact CD2-CG 4.48Å; F79-E83 HydrophobicContact CE1-CG 4.03Å; F79-E83 HydrophobicContact CE2-CG 3.99Å; F79-E83 HydrophobicContact CZ-CG 3.75Å; F79-E83 PolarHBondContact O-N 2.91Å; E83-I85 HydrophobicContact CB-CD1 3.75Å; E83-I85 HydrophobicContact CB-CG1 3.88Å; E83-I85 PolarHBondContact O-N 3.35Å |
| 84 | D | 53.2 | Low | 61.8 | Low | 99 Ų | 99 | 59.2 Ų | 59.2 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 30.1 | -176 | -66.5 | -42.2 | 0 | 0 | 0 | 114.2 | L80 V82 K1266 | L80-D84 PolarHBondContact O-N 3.41Å; V82-D84 PolarHBondContact O-N 2.94Å; D84-K1266 IonicContact OD1-NZ 2.78Å; D84-K1266 PolarHBondContact OD1-NZ 3.31Å; D84-K1266 WeakPolarHBondContact OD2-CD 3.34Å; D84-K1266 IonicContact OD2-NZ 2.78Å; D84-K1266 PolarHBondContact OD2-NZ 3.46Å |
| 85 | I | 57.4 | Low | 60.9 | Low | 28 Ų | 28 | 60 Ų | 60 | 14% | 0.144 | 34% | 0.335 | C | S | . | . | trans | -91 | 114.6 | 179.9 | -57.1 | 170.9 | 0 | 0 | 0 | 109.5 | L80 E83 R89 V93 | L80-I85 HydrophobicContact CD2-CB 3.75Å; L80-I85 HydrophobicContact CD2-CD1 4.21Å; L80-I85 HydrophobicContact CD2-CG2 3.66Å; L80-I85 PolarHBondContact O-N 3.44Å; E83-I85 HydrophobicContact CB-CD1 3.75Å; E83-I85 HydrophobicContact CB-CG1 3.88Å; E83-I85 PolarHBondContact O-N 3.35Å; I85-R89 HydrophobicContact CG2-CB 4.49Å; I85-V93 HydrophobicContact CD1-CG1 4.47Å; I85-V93 HydrophobicContact CD1-CG2 4.36Å; I85-V93 HydrophobicContact CG2-CG2 4.02Å | ||
| 86 | A | 54.2 | Low | 59.8 | Low | 63 Ų | 63 | 62.6 Ų | 62.6 | 52% | 0.521 | 36% | 0.363 | S | S | . | . | trans | -69 | 143.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D88 R89 | A86-D88 PolarHBondContact O-N 3.41Å; A86-R89 PolarHBondContact O-N 2.83Å | ||
| 87 | D | 54.8 | Low | 58.6 | Low | 85 Ų | 85 | 68.1 Ų | 68.1 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -19.1 | -177.2 | -81.8 | -23.6 | 0 | 0 | 0 | 115.3 | K51 I90 | K51-D87 PolarHBondContact NZ-O 3.29Å; D87-I90 HydrophobicContact CB-CD1 4.36Å; D87-I90 WeakPolarHBondContact O-CD1 3.31Å; D87-I90 WeakPolarHBondContact O-CG1 3.35Å |
| 88 | D | 57.2 | Low | 58 | Low | 117 Ų | 117 | 68.9 Ų | 68.9 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -14.2 | 176.5 | -68.3 | -44.3 | 0 | 0 | 0 | 113.7 | K51 A86 | K51-D88 IonicContact NZ-OD1 3.33Å; K51-D88 PolarHBondContact NZ-OD1 2.65Å; A86-D88 PolarHBondContact O-N 3.41Å |
| 89 | R | 56.1 | Low | 57.8 | Low | 136 Ų | 136 | 68.2 Ų | 68.2 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -95.1 | -0.3 | 175 | -76 | -166.8 | 159.6 | 157.5 | 3.4 | 114.7 | I85 A86 D91 E92 V93 | I85-R89 HydrophobicContact CG2-CB 4.49Å; A86-R89 PolarHBondContact O-N 2.83Å; R89-D91 PolarHBondContact O-N 3Å; R89-E92 WeakPolarHBondContact CG-OE2 3.48Å; R89-E92 IonicContact NE-OE2 2.76Å; R89-E92 PolarHBondContact NE-OE2 3.5Å; R89-E92 PolarHBondContact O-N 2.9Å; R89-V93 PolarHBondContact O-N 3.21Å |
| 90 | I | 59.7 | Low | 57.6 | Low | 12 Ų | 12 | 71.6 Ų | 71.6 | 6% | 0.062 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -53.4 | -41.6 | 179.1 | -63.1 | 172.7 | 0 | 0 | 0 | 111.4 | V54 L80 D87 E92 V93 L94 | V54-I90 HydrophobicContact CG2-CD1 4.08Å; V54-I90 HydrophobicContact CG2-CG2 4.43Å; L80-I90 HydrophobicContact CD1-CD1 3.59Å; L80-I90 HydrophobicContact CD1-CG1 3.92Å; L80-I90 HydrophobicContact CD2-CG1 4.24Å; D87-I90 HydrophobicContact CB-CD1 4.36Å; D87-I90 WeakPolarHBondContact O-CD1 3.31Å; D87-I90 WeakPolarHBondContact O-CG1 3.35Å; I90-E92 VanDerWaalsContact C-N 3.34Å; I90-E92 PolarHBondContact O-N 3.05Å; I90-V93 PolarHBondContact O-N 3.08Å; I90-L94 HydrophobicContact CG2-CD1 3.7Å; I90-L94 HydrophobicContact CG2-CG 4.21Å; I90-L94 WeakPolarHBondContact O-CB 3.45Å; I90-L94 VanDerWaalsContact O-CG 3.26Å; I90-L94 WeakPolarHBondContact O-CG 3.39Å; I90-L94 PolarHBondContact O-N 3.12Å |
| 91 | D | 57.7 | Low | 57.4 | Low | 83 Ų | 83 | 74.2 Ų | 74.2 | 44% | 0.444 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.4 | -27.7 | 179.4 | -71.2 | -40.3 | 0 | 0 | 0 | 112.9 | H53 R89 A95 | H53-D91 IonicContact ND1-OD1 2.66Å; R89-D91 PolarHBondContact O-N 3Å; D91-A95 WeakPolarHBondContact O-CB 3.39Å; D91-A95 PolarHBondContact O-N 3.39Å |
| 92 | E | 57.6 | Low | 57.8 | Low | 129 Ų | 129 | 71.4 Ų | 71.4 | 60% | 0.603 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -74.6 | -43.9 | 172.8 | -63 | -171.7 | 135.1 | 0 | 0 | 111.2 | R89 I90 A95 G96 | R89-E92 WeakPolarHBondContact CG-OE2 3.48Å; R89-E92 IonicContact NE-OE2 2.76Å; R89-E92 PolarHBondContact NE-OE2 3.5Å; R89-E92 PolarHBondContact O-N 2.9Å; I90-E92 VanDerWaalsContact C-N 3.34Å; I90-E92 PolarHBondContact O-N 3.05Å; E92-A95 PolarHBondContact O-N 3.49Å; E92-A95 VanDerWaalsContact O-N 3.13Å; E92-G96 PolarHBondContact O-N 2.98Å |
| 93 | V | 56.1 | Low | 58.6 | Low | 29 Ų | 29 | 69.7 Ų | 69.7 | 18% | 0.176 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 178 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | I85 R89 I90 A95 G96 W97 L102 | I85-V93 HydrophobicContact CD1-CG1 4.47Å; I85-V93 HydrophobicContact CD1-CG2 4.36Å; I85-V93 HydrophobicContact CG2-CG2 4.02Å; R89-V93 PolarHBondContact O-N 3.21Å; I90-V93 PolarHBondContact O-N 3.08Å; V93-A95 PolarHBondContact O-N 3.05Å; V93-G96 PolarHBondContact O-N 3.03Å; V93-W97 HydrophobicContact CG1-CD2 4.05Å; V93-W97 HydrophobicContact CG1-CE3 4.09Å; V93-W97 HydrophobicContact CG1-CG 4.34Å; V93-W97 WeakPolarHBondContact O-CB 3.45Å; V93-W97 PolarHBondContact O-N 2.84Å; V93-L102 HydrophobicContact CG1-CD1 4.45Å |
| 94 | L | 56.9 | Low | 59 | Low | 41 Ų | 41 | 66.6 Ų | 66.6 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.9 | -18 | 174.1 | -73.1 | 173.3 | 0 | 0 | 0 | 114.1 | L57 I90 T99 L102 | L57-L94 HydrophobicContact CD1-CD2 4.15Å; L57-L94 HydrophobicContact CD2-CD1 4.39Å; L57-L94 HydrophobicContact CD2-CD2 4.17Å; I90-L94 HydrophobicContact CG2-CD1 3.7Å; I90-L94 HydrophobicContact CG2-CG 4.21Å; I90-L94 WeakPolarHBondContact O-CB 3.45Å; I90-L94 VanDerWaalsContact O-CG 3.26Å; I90-L94 WeakPolarHBondContact O-CG 3.39Å; I90-L94 PolarHBondContact O-N 3.12Å; L94-T99 HydrophobicContact CD2-CG2 4.19Å; L94-L102 HydrophobicContact CD2-CD2 3.65Å |
| 95 | A | 55.4 | Low | 59.6 | Low | 86 Ų | 86 | 64.6 Ų | 64.6 | 71% | 0.711 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -89.6 | -33.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D91 E92 V93 | D91-A95 WeakPolarHBondContact O-CB 3.39Å; D91-A95 PolarHBondContact O-N 3.39Å; E92-A95 PolarHBondContact O-N 3.49Å; E92-A95 VanDerWaalsContact O-N 3.13Å; V93-A95 PolarHBondContact O-N 3.05Å |
| 96 | G | 52.3 | Low | 60.3 | Low | 64 Ų | 64 | 63.4 Ų | 63.4 | 66% | 0.66 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -85.9 | -34.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E92 V93 | E92-G96 PolarHBondContact O-N 2.98Å; V93-G96 PolarHBondContact O-N 3.03Å |
| 97 | W | 51.5 | Low | 61.5 | Low | 121 Ų | 121 | 61.3 Ų | 61.3 | 46% | 0.458 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -100.2 | 144.1 | -178.4 | -69.6 | 7.6 | 0 | 0 | 0 | 112 | V93 T99 L102 | V93-W97 HydrophobicContact CG1-CD2 4.05Å; V93-W97 HydrophobicContact CG1-CE3 4.09Å; V93-W97 HydrophobicContact CG1-CG 4.34Å; V93-W97 WeakPolarHBondContact O-CB 3.45Å; V93-W97 PolarHBondContact O-N 2.84Å; W97-T99 PolarHBondContact O-N 2.62Å; W97-T99 VanDerWaalsContact O-N 3.15Å; W97-L102 HydrophobicContact CE3-CB 4.48Å; W97-L102 HydrophobicContact CE3-CD1 3.7Å; W97-L102 HydrophobicContact CZ3-CD1 3.85Å |
| 98 | S | 57.7 | Low | 62.2 | Low | 65 Ų | 65 | 64.2 Ų | 64.2 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | trans | -56.5 | 119.4 | 165.8 | 157.9 | 0 | 0 | 0 | 0 | 109.4 | N100 C101 L102 | S98-N100 PolarHBondContact O-N 3.48Å; S98-N100 PolarHBondContact OG-N 3.26Å; S98-C101 PolarHBondContact O-N 3.38Å; S98-C101 PolarHBondContact OG-SG 2.9Å; S98-L102 PolarHBondContact O-N 2.85Å | ||
| 99 | T | 62.7 | Low | 62.9 | Low | 48 Ų | 48 | 59.6 Ų | 59.6 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.5 | -19.1 | -179.2 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | R60 L94 W97 L103 | R60-T99 PolarHBondContact NH1-OG1 2.95Å; R60-T99 VanDerWaalsContact NH1-OG1 3.13Å; L94-T99 HydrophobicContact CD2-CG2 4.19Å; W97-T99 PolarHBondContact O-N 2.62Å; W97-T99 VanDerWaalsContact O-N 3.15Å; T99-L103 WeakPolarHBondContact O-CD1 3.05Å; T99-L103 VanDerWaalsContact O-CG 3.24Å; T99-L103 WeakPolarHBondContact O-CG 3.35Å; T99-L103 PolarHBondContact O-N 3.24Å |
| 100 | N | 64.5 | Low | 63.9 | Low | 76 Ų | 76 | 54.1 Ų | 54.1 | 41% | 0.406 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -78.2 | -36.6 | 174 | -63.2 | -6.5 | 0 | 0 | 0 | 111.8 | R60 S98 L103 E104 | R60-N100 PolarHBondContact NH2-OD1 2.92Å; S98-N100 PolarHBondContact O-N 3.48Å; S98-N100 PolarHBondContact OG-N 3.26Å; N100-L103 PolarHBondContact O-N 2.91Å; N100-E104 PolarHBondContact O-N 3.36Å |
| 101 | C | 63.4 | Low | 64.7 | Low | 66 Ų | 66 | 54.9 Ų | 54.9 | 45% | 0.446 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.6 | -45.4 | 176.3 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | S98 L103 E104 D105 | S98-C101 PolarHBondContact O-N 3.38Å; S98-C101 PolarHBondContact OG-SG 2.9Å; C101-L103 VanDerWaalsContact C-N 3.25Å; C101-L103 PolarHBondContact O-N 2.81Å; C101-E104 WeakPolarHBondContact O-CB 3.3Å; C101-E104 PolarHBondContact O-N 2.83Å; C101-D105 PolarHBondContact O-N 3.16Å |
| 102 | L | 68.8 | Low | 65.4 | Low | 9 Ų | 9 | 52.5 Ų | 52.5 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.3 | -40.8 | 174.9 | -173.7 | 75.2 | 0 | 0 | 0 | 111.7 | L57 F79 V93 L94 W97 S98 D105 I106 | L57-L102 HydrophobicContact CD2-CD2 4.35Å; F79-L102 HydrophobicContact CE1-CD1 3.92Å; F79-L102 HydrophobicContact CZ-CD1 4.41Å; V93-L102 HydrophobicContact CG1-CD1 4.45Å; L94-L102 HydrophobicContact CD2-CD2 3.65Å; W97-L102 HydrophobicContact CE3-CB 4.48Å; W97-L102 HydrophobicContact CE3-CD1 3.7Å; W97-L102 HydrophobicContact CZ3-CD1 3.85Å; S98-L102 PolarHBondContact O-N 2.85Å; L102-D105 PolarHBondContact O-N 3.22Å; L102-I106 HydrophobicContact CD1-CD1 4.38Å; L102-I106 HydrophobicContact CD2-CD1 4.41Å; L102-I106 HydrophobicContact CG-CD1 3.88Å; L102-I106 WeakPolarHBondContact O-CB 3.4Å; L102-I106 WeakPolarHBondContact O-CD1 3.39Å; L102-I106 WeakPolarHBondContact O-CG1 3.38Å; L102-I106 PolarHBondContact O-N 3.13Å |
| 103 | L | 72 | Confident | 66.3 | Low | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.8 | -35.5 | 175.9 | -75.1 | 169.1 | 0 | 0 | 0 | 112.8 | R60 M61 F64 T99 N100 C101 R107 | R60-L103 HydrophobicContact CG-CD1 4.21Å; M61-L103 HydrophobicContact CB-CD2 4.49Å; M61-L103 HydrophobicContact CG-CD2 3.52Å; F64-L103 HydrophobicContact CD1-CB 4.09Å; F64-L103 HydrophobicContact CD1-CD2 4.28Å; F64-L103 HydrophobicContact CE1-CB 3.85Å; F64-L103 HydrophobicContact CZ-CB 4.47Å; T99-L103 WeakPolarHBondContact O-CD1 3.05Å; T99-L103 VanDerWaalsContact O-CG 3.24Å; T99-L103 WeakPolarHBondContact O-CG 3.35Å; T99-L103 PolarHBondContact O-N 3.24Å; N100-L103 PolarHBondContact O-N 2.91Å; C101-L103 VanDerWaalsContact C-N 3.25Å; C101-L103 PolarHBondContact O-N 2.81Å; L103-R107 VanDerWaalsContact O-CB 3.22Å; L103-R107 WeakPolarHBondContact O-CB 3.41Å; L103-R107 PolarHBondContact O-N 3.44Å |
| 104 | E | 69.6 | Low | 67.3 | Low | 34 Ų | 34 | 46.8 Ų | 46.8 | 16% | 0.159 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 173.8 | -75.5 | -63.6 | 157.1 | 0 | 0 | 112.7 | N100 C101 R107 R108 Q194 | N100-E104 PolarHBondContact O-N 3.36Å; C101-E104 WeakPolarHBondContact O-CB 3.3Å; C101-E104 PolarHBondContact O-N 2.83Å; E104-R107 WeakPolarHBondContact O-CB 3.42Å; E104-R107 PolarHBondContact O-N 3.3Å; E104-R107 IonicContact OE1-CZ 2.74Å; E104-R107 VanDerWaalsContact OE1-CZ 3.23Å; E104-R107 IonicContact OE1-NE 2.68Å; E104-R107 IonicContact OE1-NH1 3.32Å; E104-R107 IonicContact OE1-NH2 3.3Å; E104-R107 PolarHBondContact OE1-NH2 2.75Å; E104-R107 IonicContact OE2-CZ 3.84Å; E104-R107 IonicContact OE2-NE 3.55Å; E104-R107 PolarHBondContact OE2-NE 3Å; E104-R107 IonicContact OE2-NH2 3.55Å; E104-R107 PolarHBondContact OE2-NH2 2.73Å; E104-R108 WeakPolarHBondContact O-CG 3.31Å; E104-R108 PolarHBondContact O-N 3Å; E104-Q194 PolarHBondContact OE1-NE2 3.37Å; E104-Q194 PolarHBondContact OE1-OE1 3.19Å |
| 105 | D | 66.2 | Low | 68.2 | Low | 58 Ų | 58 | 45 Ų | 45 | 31% | 0.31 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -72.6 | -35.5 | -179.4 | -67.5 | -45.8 | 0 | 0 | 0 | 112.1 | F79 C101 L102 R107 R108 Y109 | F79-D105 HydrophobicContact CE2-CB 4.37Å; F79-D105 HydrophobicContact CZ-CB 4.34Å; C101-D105 PolarHBondContact O-N 3.16Å; L102-D105 PolarHBondContact O-N 3.22Å; D105-R107 VanDerWaalsContact C-N 3.32Å; D105-R107 PolarHBondContact O-N 3.43Å; D105-R108 PolarHBondContact O-N 3.43Å; D105-R108 WeakPolarHBondContact OD1-CD 3.22Å; D105-R108 IonicContact OD1-CZ 3.09Å; D105-R108 IonicContact OD1-NE 2.7Å; D105-R108 IonicContact OD1-NH1 3.08Å; D105-R108 PolarHBondContact OD1-NH1 3.27Å; D105-Y109 WeakPolarHBondContact O-CB 3.4Å; D105-Y109 PolarHBondContact O-N 3.31Å |
| 106 | I | 72.9 | Confident | 69 | Low | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -35.5 | 167.9 | -63.8 | 164.8 | 0 | 0 | 0 | 111.4 | M61 I75 L76 F79 L102 Y109 Y110 | M61-I106 HydrophobicContact CE-CD1 4.47Å; M61-I106 HydrophobicContact CE-CG2 3.64Å; M61-I106 HydrophobicContact SD-CD1 4.14Å; I75-I106 HydrophobicContact CG2-CG2 4.01Å; L76-I106 HydrophobicContact CD1-CD1 3.87Å; F79-I106 HydrophobicContact CB-CG1 4.44Å; F79-I106 HydrophobicContact CD1-CD1 4.16Å; F79-I106 HydrophobicContact CD1-CG1 3.61Å; F79-I106 HydrophobicContact CD2-CG1 3.91Å; F79-I106 HydrophobicContact CE1-CD1 4.27Å; F79-I106 HydrophobicContact CE1-CG1 3.7Å; F79-I106 HydrophobicContact CE2-CG1 3.99Å; F79-I106 HydrophobicContact CG-CG1 3.72Å; F79-I106 HydrophobicContact CZ-CG1 3.89Å; L102-I106 HydrophobicContact CD1-CD1 4.38Å; L102-I106 HydrophobicContact CD2-CD1 4.41Å; L102-I106 HydrophobicContact CG-CD1 3.88Å; L102-I106 WeakPolarHBondContact O-CB 3.4Å; L102-I106 WeakPolarHBondContact O-CD1 3.39Å; L102-I106 WeakPolarHBondContact O-CG1 3.38Å; L102-I106 PolarHBondContact O-N 3.13Å; I106-Y109 WeakPolarHBondContact O-CB 3.49Å; I106-Y109 PolarHBondContact O-N 3.23Å; I106-Y110 WeakPolarHBondContact O-CB 3.24Å; I106-Y110 PolarHBondContact O-N 2.77Å |
| 107 | R | 77.7 | Confident | 70.4 | Confident | 19 Ų | 19 | 38.2 Ų | 38.2 | 7% | 0.072 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.9 | -45 | 174.9 | -177.1 | 169.3 | 75.7 | 172.7 | 8.9 | 111.5 | F64 L65 L103 E104 D105 Y109 Y110 W111 | F64-R107 HydrophobicContact CE1-CB 4.14Å; L65-R107 HydrophobicContact CD2-CB 3.85Å; L65-R107 HydrophobicContact CD2-CG 3.85Å; L103-R107 VanDerWaalsContact O-CB 3.22Å; L103-R107 WeakPolarHBondContact O-CB 3.41Å; L103-R107 PolarHBondContact O-N 3.44Å; E104-R107 WeakPolarHBondContact O-CB 3.42Å; E104-R107 PolarHBondContact O-N 3.3Å; E104-R107 IonicContact OE1-CZ 2.74Å; E104-R107 VanDerWaalsContact OE1-CZ 3.23Å; E104-R107 IonicContact OE1-NE 2.68Å; E104-R107 IonicContact OE1-NH1 3.32Å; E104-R107 IonicContact OE1-NH2 3.3Å; E104-R107 PolarHBondContact OE1-NH2 2.75Å; E104-R107 IonicContact OE2-CZ 3.84Å; E104-R107 IonicContact OE2-NE 3.55Å; E104-R107 PolarHBondContact OE2-NE 3Å; E104-R107 IonicContact OE2-NH2 3.55Å; E104-R107 PolarHBondContact OE2-NH2 2.73Å; D105-R107 VanDerWaalsContact C-N 3.32Å; D105-R107 PolarHBondContact O-N 3.43Å; R107-Y109 VanDerWaalsContact C-N 3.32Å; R107-Y109 PolarHBondContact O-N 3.5Å; R107-Y110 PolarHBondContact O-N 3.25Å; R107-W111 VanDerWaalsContact CD-CZ2 3.49Å; R107-W111 HydrophobicContact CG-CD2 3.97Å; R107-W111 HydrophobicContact CG-CE3 4.22Å; R107-W111 HydrophobicContact CG-CH2 3.75Å; R107-W111 HydrophobicContact CG-CZ2 3.45Å; R107-W111 VanDerWaalsContact CG-CZ2 3.45Å; R107-W111 HydrophobicContact CG-CZ3 4.11Å; R107-W111 WeakPolarHBondContact O-CB 3.29Å; R107-W111 PolarHBondContact O-N 3.13Å |
| 108 | R | 69.6 | Low | 71.8 | Confident | 146 Ų | 146 | 33 Ų | 33 | 55% | 0.551 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -58.9 | -42.4 | 172 | -70.9 | 166.2 | 175.2 | 167.5 | -3.2 | 112 | E104 D105 W111 K112 | E104-R108 WeakPolarHBondContact O-CG 3.31Å; E104-R108 PolarHBondContact O-N 3Å; D105-R108 PolarHBondContact O-N 3.43Å; D105-R108 WeakPolarHBondContact OD1-CD 3.22Å; D105-R108 IonicContact OD1-CZ 3.09Å; D105-R108 IonicContact OD1-NE 2.7Å; D105-R108 IonicContact OD1-NH1 3.08Å; D105-R108 PolarHBondContact OD1-NH1 3.27Å; R108-W111 PolarHBondContact O-N 3.01Å; R108-K112 WeakPolarHBondContact O-CB 3.49Å; R108-K112 PolarHBondContact O-N 2.92Å |
| 109 | Y | 72.2 | Confident | 72.6 | Confident | 21 Ų | 21 | 30 Ų | 30 | 8% | 0.082 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.9 | -48.8 | 177.3 | 178.1 | -82.9 | 0 | 0 | 0 | 112.6 | M1 I75 H78 F79 V82 D105 I106 R107 W111 K112 D113 | M1-Y109 HydrophobicContact CB-CE2 3.92Å; M1-Y109 WeakPolarHBondContact CB-OH 3.37Å; M1-Y109 HydrophobicContact CG-CE2 3.8Å; M1-Y109 VanDerWaalsContact N-CZ 3.28Å; M1-Y109 PolarHBondContact N-OH 3.11Å; I75-Y109 HydrophobicContact CG2-CD1 4.24Å; I75-Y109 HydrophobicContact CG2-CE1 4.47Å; H78-Y109 HydrophobicContact CB-CE1 4.38Å; H78-Y109 VanDerWaalsContact CB-OH 3.27Å; H78-Y109 WeakPolarHBondContact CB-OH 3.17Å; H78-Y109 PolarHBondContact O-OH 3.28Å; F79-Y109 HydrophobicContact CB-CD1 4.26Å; F79-Y109 HydrophobicContact CB-CD2 4.38Å; F79-Y109 HydrophobicContact CB-CE1 4.26Å; F79-Y109 HydrophobicContact CB-CE2 4.32Å; F79-Y109 HydrophobicContact CB-CG 4.33Å; F79-Y109 HydrophobicContact CD2-CD1 4.44Å; F79-Y109 AromaticContact CD2-CD2 3.68Å; F79-Y109 HydrophobicContact CD2-CD2 3.68Å; F79-Y109 HydrophobicContact CD2-CE2 4.32Å; F79-Y109 AromaticContact CD2-CG 3.74Å; F79-Y109 HydrophobicContact CD2-CG 3.74Å; V82-Y109 HydrophobicContact CB-CE2 4.04Å; V82-Y109 HydrophobicContact CG1-CE2 4.09Å; V82-Y109 HydrophobicContact CG2-CE2 4.06Å; D105-Y109 WeakPolarHBondContact O-CB 3.4Å; D105-Y109 PolarHBondContact O-N 3.31Å; I106-Y109 WeakPolarHBondContact O-CB 3.49Å; I106-Y109 PolarHBondContact O-N 3.23Å; R107-Y109 VanDerWaalsContact C-N 3.32Å; R107-Y109 PolarHBondContact O-N 3.5Å; Y109-W111 VanDerWaalsContact C-N 3.35Å; Y109-W111 PolarHBondContact O-N 3.4Å; Y109-K112 PolarHBondContact O-N 2.9Å; Y109-D113 PolarHBondContact O-N 3.24Å |
| 110 | Y | 78.3 | Confident | 73.3 | Confident | 21 Ų | 21 | 27.7 Ų | 27.7 | 8% | 0.082 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 175.9 | 161.6 | -124.1 | 0 | 0 | 0 | 111.9 | Y40 L65 L67 I75 I106 R107 K112 D113 R114 | Y40-Y110 HydrophobicContact CD1-CD2 4.24Å; Y40-Y110 AromaticContact CD1-CE2 3.64Å; Y40-Y110 HydrophobicContact CD1-CE2 3.64Å; Y40-Y110 HydrophobicContact CE1-CD2 4.07Å; Y40-Y110 AromaticContact CE1-CE2 3.92Å; Y40-Y110 HydrophobicContact CE1-CE2 3.92Å; Y40-Y110 HydrophobicContact CG-CE2 4.23Å; L65-Y110 HydrophobicContact CB-CE1 4.43Å; L65-Y110 HydrophobicContact CD2-CD1 4.07Å; L67-Y110 HydrophobicContact CD1-CD2 4.11Å; L67-Y110 HydrophobicContact CD1-CE1 4.38Å; L67-Y110 HydrophobicContact CD1-CE2 3.78Å; L67-Y110 HydrophobicContact CD2-CE2 4.22Å; L67-Y110 HydrophobicContact CG-CE2 4.48Å; I75-Y110 HydrophobicContact CD1-CD2 3.77Å; I75-Y110 HydrophobicContact CD1-CE2 4.32Å; I75-Y110 HydrophobicContact CD1-CG 4.45Å; I106-Y110 WeakPolarHBondContact O-CB 3.24Å; I106-Y110 PolarHBondContact O-N 2.77Å; R107-Y110 PolarHBondContact O-N 3.25Å; Y110-K112 VanDerWaalsContact C-N 3.35Å; Y110-K112 PolarHBondContact O-N 3.11Å; Y110-D113 PolarHBondContact O-N 2.91Å; Y110-R114 HydrophobicContact CD2-CG 4.27Å; Y110-R114 HydrophobicContact CE2-CG 3.88Å; Y110-R114 PolarHBondContact O-N 3.45Å |
| 111 | W | 76.8 | Confident | 74.2 | Confident | 27 Ų | 27 | 24.1 Ų | 24.1 | 10% | 0.102 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.8 | -41.5 | 174.5 | -70.7 | -18.1 | 0 | 0 | 0 | 113.1 | R107 R108 Y109 L115 V197 V198 Q201 | R107-W111 VanDerWaalsContact CD-CZ2 3.49Å; R107-W111 HydrophobicContact CG-CD2 3.97Å; R107-W111 HydrophobicContact CG-CE3 4.22Å; R107-W111 HydrophobicContact CG-CH2 3.75Å; R107-W111 HydrophobicContact CG-CZ2 3.45Å; R107-W111 VanDerWaalsContact CG-CZ2 3.45Å; R107-W111 HydrophobicContact CG-CZ3 4.11Å; R107-W111 WeakPolarHBondContact O-CB 3.29Å; R107-W111 PolarHBondContact O-N 3.13Å; R108-W111 PolarHBondContact O-N 3.01Å; Y109-W111 VanDerWaalsContact C-N 3.35Å; Y109-W111 PolarHBondContact O-N 3.4Å; W111-L115 WeakPolarHBondContact O-CG 3.21Å; W111-L115 PolarHBondContact O-N 2.92Å; W111-L115 VanDerWaalsContact O-N 3.16Å; W111-V197 HydrophobicContact CH2-CG1 4.08Å; W111-V197 HydrophobicContact CZ3-CG1 3.71Å; W111-V198 HydrophobicContact CH2-CG2 3.81Å; W111-V198 HydrophobicContact CZ2-CB 4.47Å; W111-V198 HydrophobicContact CZ2-CG2 3.88Å; W111-Q201 HydrophobicContact CB-CG 3.92Å; W111-Q201 HydrophobicContact CD2-CB 4.26Å; W111-Q201 HydrophobicContact CD2-CG 3.67Å; W111-Q201 HydrophobicContact CE3-CB 4.31Å; W111-Q201 HydrophobicContact CE3-CG 4.12Å; W111-Q201 HydrophobicContact CG-CG 3.59Å; W111-Q201 PolarHBondContact O-NE2 3.35Å |
| 112 | K | 71.9 | Confident | 75.2 | Confident | 34 Ų | 34 | 21.4 Ų | 21.4 | 15% | 0.148 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.3 | -41.8 | 176.9 | -171.6 | 163.6 | -171.8 | 163.6 | 0 | 112.1 | R108 Y109 Y110 L115 C116 E1132 E1135 | R108-K112 WeakPolarHBondContact O-CB 3.49Å; R108-K112 PolarHBondContact O-N 2.92Å; Y109-K112 PolarHBondContact O-N 2.9Å; Y110-K112 VanDerWaalsContact C-N 3.35Å; Y110-K112 PolarHBondContact O-N 3.11Å; K112-L115 PolarHBondContact O-N 3.18Å; K112-C116 PolarHBondContact O-N 2.98Å; K112-C116 PolarHBondContact O-SG 2.82Å; K112-C116 VanDerWaalsContact O-SG 3.42Å; K112-E1132 IonicContact NZ-OE1 2.68Å; K112-E1132 PolarHBondContact NZ-OE1 3.36Å; K112-E1135 WeakPolarHBondContact CE-OE1 3.47Å; K112-E1135 VanDerWaalsContact CE-OE2 3.24Å; K112-E1135 WeakPolarHBondContact CE-OE2 3.32Å; K112-E1135 IonicContact NZ-OE1 2.7Å; K112-E1135 PolarHBondContact NZ-OE1 3.12Å; K112-E1135 IonicContact NZ-OE2 2.59Å |
| 113 | D | 75.2 | Confident | 75.7 | Confident | 9 Ų | 9 | 21.3 Ų | 21.3 | 5% | 0.048 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -71.9 | -33.6 | -179.1 | -138.5 | 37 | 0 | 0 | 0 | 112.8 | M1 S4 Y109 Y110 C116 L117 | M1-D113 VanDerWaalsContact C-OD1 3.27Å; M1-D113 WeakPolarHBondContact CA-OD1 3.39Å; M1-D113 PolarHBondContact N-OD1 3.47Å; M1-D113 PolarHBondContact N-OD2 2.88Å; S4-D113 PolarHBondContact N-OD1 3.48Å; Y109-D113 PolarHBondContact O-N 3.24Å; Y110-D113 PolarHBondContact O-N 2.91Å; D113-C116 PolarHBondContact O-N 2.87Å; D113-L117 PolarHBondContact O-N 3.34Å |
| 114 | R | 78.9 | Confident | 76.2 | Confident | 28 Ų | 28 | 21 Ų | 21 | 11% | 0.106 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.7 | -47.6 | 168 | -82.1 | 176.4 | 61.3 | 92.6 | 4.7 | 112 | Y40 Y110 C116 L117 I118 E205 | Y40-R114 HydrophobicContact CD2-CG 3.83Å; Y40-R114 HydrophobicContact CE1-CG 4.42Å; Y40-R114 HydrophobicContact CE2-CG 3.59Å; Y40-R114 HydrophobicContact CG-CG 4.34Å; Y110-R114 HydrophobicContact CD2-CG 4.27Å; Y110-R114 HydrophobicContact CE2-CG 3.88Å; Y110-R114 PolarHBondContact O-N 3.45Å; R114-C116 VanDerWaalsContact C-N 3.34Å; R114-C116 PolarHBondContact O-N 3.43Å; R114-L117 PolarHBondContact O-N 2.95Å; R114-I118 WeakPolarHBondContact O-CG1 3.4Å; R114-I118 PolarHBondContact O-N 3.45Å; R114-I118 VanDerWaalsContact O-N 3.09Å; R114-E205 IonicContact CZ-OE1 3.21Å; R114-E205 IonicContact CZ-OE2 3.68Å; R114-E205 IonicContact NE-OE1 3.8Å; R114-E205 PolarHBondContact NE-OE1 3.35Å; R114-E205 IonicContact NE-OE2 3.69Å; R114-E205 PolarHBondContact NE-OE2 3.09Å; R114-E205 IonicContact NH2-OE1 2.77Å; R114-E205 IonicContact NH2-OE2 2.74Å; R114-E205 PolarHBondContact NH2-OE2 3.27Å |
| 115 | L | 74.6 | Confident | 76.8 | Confident | 5 Ų | 5 | 19.7 Ų | 19.7 | 3% | 0.026 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62 | -41.4 | 175.5 | -68 | 168.8 | 0 | 0 | 0 | 111.5 | W111 K112 L117 I118 R119 K204 E205 E208 | W111-L115 WeakPolarHBondContact O-CG 3.21Å; W111-L115 PolarHBondContact O-N 2.92Å; W111-L115 VanDerWaalsContact O-N 3.16Å; K112-L115 PolarHBondContact O-N 3.18Å; L115-L117 PolarHBondContact O-N 3.44Å; L115-I118 PolarHBondContact O-N 2.87Å; L115-R119 VanDerWaalsContact O-CG 3.29Å; L115-R119 WeakPolarHBondContact O-CG 3.17Å; L115-R119 PolarHBondContact O-N 2.81Å; L115-K204 HydrophobicContact CD1-CD 3.92Å; L115-K204 HydrophobicContact CD1-CG 4.36Å; L115-K204 HydrophobicContact CD2-CD 4.47Å; L115-K204 HydrophobicContact CD2-CG 4.03Å; L115-E205 HydrophobicContact CD2-CG 3.98Å; L115-E208 HydrophobicContact CD2-CG 4.04Å |
| 116 | C | 73 | Confident | 77.5 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.007 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.3 | -35.3 | 176.1 | -72.5 | 0 | 0 | 0 | 0 | 113.3 | C3 S4 L7 K112 D113 R114 R119 L120 | C3-C116 HydrophobicContact CB-CB 3.84Å; S4-C116 VanDerWaalsContact CA-SG 3.57Å; S4-C116 VanDerWaalsContact CB-SG 3.52Å; S4-C116 PolarHBondContact OG-SG 2.9Å; L7-C116 HydrophobicContact CD2-CB 4.27Å; K112-C116 PolarHBondContact O-N 2.98Å; K112-C116 PolarHBondContact O-SG 2.82Å; K112-C116 VanDerWaalsContact O-SG 3.42Å; D113-C116 PolarHBondContact O-N 2.87Å; R114-C116 VanDerWaalsContact C-N 3.34Å; R114-C116 PolarHBondContact O-N 3.43Å; C116-R119 PolarHBondContact O-N 3.19Å; C116-L120 WeakPolarHBondContact O-CG 3.48Å; C116-L120 PolarHBondContact O-N 3.35Å |
| 117 | L | 81.7 | Confident | 77.9 | Confident | 6 Ų | 6 | 20.5 Ų | 20.5 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.7 | -46.1 | 172.9 | -179.4 | 59.4 | 0 | 0 | 0 | 111.4 | C3 Q32 Y40 D113 R114 L115 R119 L120 L121 | C3-L117 HydrophobicContact CB-CB 4.5Å; Q32-L117 HydrophobicContact CB-CD1 4.28Å; Y40-L117 HydrophobicContact CD2-CD2 4.35Å; Y40-L117 HydrophobicContact CE2-CD2 3.8Å; D113-L117 PolarHBondContact O-N 3.34Å; R114-L117 PolarHBondContact O-N 2.95Å; L115-L117 PolarHBondContact O-N 3.44Å; L117-R119 VanDerWaalsContact C-N 3.25Å; L117-R119 PolarHBondContact O-N 3.44Å; L117-L120 PolarHBondContact O-N 2.95Å; L117-L121 HydrophobicContact CG-CD1 4.46Å; L117-L121 WeakPolarHBondContact O-CG 3.45Å; L117-L121 PolarHBondContact O-N 2.9Å |
| 118 | I | 80.5 | Confident | 77.9 | Confident | 11 Ų | 11 | 20.2 Ų | 20.2 | 6% | 0.056 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.1 | -39.8 | 175.3 | -62.5 | 163.9 | 0 | 0 | 0 | 110.3 | R114 L115 L121 K122 E205 E208 L209 L212 | R114-I118 WeakPolarHBondContact O-CG1 3.4Å; R114-I118 PolarHBondContact O-N 3.45Å; R114-I118 VanDerWaalsContact O-N 3.09Å; L115-I118 PolarHBondContact O-N 2.87Å; I118-L121 CarbonylContact O-C 3.52Å; I118-L121 PolarHBondContact O-N 3.01Å; I118-K122 WeakPolarHBondContact O-CB 3.27Å; I118-K122 PolarHBondContact O-N 3.27Å; I118-E205 HydrophobicContact CD1-CB 4.48Å; I118-E208 HydrophobicContact CG2-CB 3.8Å; I118-L209 HydrophobicContact CD1-CG 4.31Å; I118-L209 HydrophobicContact CG2-CG 4.43Å; I118-L212 HydrophobicContact CG2-CD1 4.32Å |
| 119 | R | 74.9 | Confident | 78.2 | Confident | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.008 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67 | -37.6 | 175.8 | -71.2 | 167.3 | -173.3 | 162.9 | 1.8 | 114 | L7 L115 C116 L117 K122 L123 E208 E1135 | L7-R119 HydrophobicContact CD1-CB 4Å; L7-R119 HydrophobicContact CD2-CB 3.78Å; L7-R119 HydrophobicContact CD2-CG 4.45Å; L115-R119 VanDerWaalsContact O-CG 3.29Å; L115-R119 WeakPolarHBondContact O-CG 3.17Å; L115-R119 PolarHBondContact O-N 2.81Å; C116-R119 PolarHBondContact O-N 3.19Å; L117-R119 VanDerWaalsContact C-N 3.25Å; L117-R119 PolarHBondContact O-N 3.44Å; R119-K122 WeakPolarHBondContact O-CA 3.42Å; R119-K122 VanDerWaalsContact O-CB 3.26Å; R119-K122 WeakPolarHBondContact O-CB 3.49Å; R119-K122 PolarHBondContact O-N 3.4Å; R119-L123 PolarHBondContact O-N 3.17Å; R119-E208 VanDerWaalsContact CG-OE2 3.31Å; R119-E208 WeakPolarHBondContact CG-OE2 3.34Å; R119-E208 IonicContact CZ-OE1 2.74Å; R119-E208 IonicContact NE-OE1 3.89Å; R119-E208 PolarHBondContact NE-OE1 3.3Å; R119-E208 IonicContact NE-OE2 3.67Å; R119-E208 IonicContact NH2-OE1 3.89Å; R119-E208 PolarHBondContact NH2-OE1 3.29Å; R119-E1135 IonicContact CZ-OE2 3.04Å; R119-E1135 IonicContact NH1-OE2 3.64Å; R119-E1135 PolarHBondContact NH1-OE2 2.85Å; R119-E1135 PolarHBondContact NH2-O 3.13Å |
| 120 | L | 77.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.2 | -40.3 | 173 | -74.1 | 173.1 | 0 | 0 | 0 | 111.4 | C3 L7 V29 L33 C116 L117 K122 L123 C124 L139 | C3-L120 HydrophobicContact CB-CD1 3.94Å; L7-L120 HydrophobicContact CB-CD2 3.98Å; L7-L120 HydrophobicContact CB-CG 4.23Å; L7-L120 HydrophobicContact CD1-CD2 3.86Å; L7-L120 HydrophobicContact CD1-CG 4.2Å; V29-L120 HydrophobicContact CG1-CD1 3.86Å; L33-L120 HydrophobicContact CD2-CB 4.14Å; C116-L120 WeakPolarHBondContact O-CG 3.48Å; C116-L120 PolarHBondContact O-N 3.35Å; L117-L120 PolarHBondContact O-N 2.95Å; L120-K122 VanDerWaalsContact C-N 3.27Å; L120-K122 PolarHBondContact O-N 3.49Å; L120-L123 HydrophobicContact CD2-CD1 4.3Å; L120-L123 WeakPolarHBondContact O-CB 3.38Å; L120-L123 PolarHBondContact O-N 2.71Å; L120-C124 PolarHBondContact O-N 3.31Å; L120-C124 PolarHBondContact O-SG 3.26Å; L120-L139 HydrophobicContact CD2-CD2 4.41Å |
| 121 | L | 83.5 | Confident | 77.3 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.7 | -29.2 | 172 | -62.8 | 173.5 | 0 | 0 | 0 | 112.1 | L33 F37 L117 I118 C124 T143 L151 L212 | L33-L121 HydrophobicContact CD2-CD2 3.83Å; L33-L121 HydrophobicContact CD2-CG 4.47Å; F37-L121 HydrophobicContact CD1-CD1 4.08Å; F37-L121 HydrophobicContact CE1-CD1 3.7Å; F37-L121 HydrophobicContact CE2-CD1 4.21Å; F37-L121 HydrophobicContact CG-CD1 4.49Å; F37-L121 HydrophobicContact CZ-CD1 3.77Å; L117-L121 HydrophobicContact CG-CD1 4.46Å; L117-L121 WeakPolarHBondContact O-CG 3.45Å; L117-L121 PolarHBondContact O-N 2.9Å; I118-L121 CarbonylContact O-C 3.52Å; I118-L121 PolarHBondContact O-N 3.01Å; L121-C124 VanDerWaalsContact O-CB 3.32Å; L121-C124 WeakPolarHBondContact O-CB 3.2Å; L121-C124 PolarHBondContact O-N 3.32Å; L121-T143 HydrophobicContact CD2-CG2 4.2Å; L121-L151 HydrophobicContact CD2-CD1 4.16Å; L121-L212 HydrophobicContact CB-CD1 3.64Å |
| 122 | K | 83.7 | Confident | 77 | Confident | 9 Ų | 9 | 14.2 Ų | 14.2 | 4% | 0.039 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.1 | -37.7 | 170.6 | -164.6 | 163.6 | 78.4 | -175.1 | 0 | 111.8 | I118 R119 L120 C124 V125 C126 E208 E211 L212 L215 | I118-K122 WeakPolarHBondContact O-CB 3.27Å; I118-K122 PolarHBondContact O-N 3.27Å; R119-K122 WeakPolarHBondContact O-CA 3.42Å; R119-K122 VanDerWaalsContact O-CB 3.26Å; R119-K122 WeakPolarHBondContact O-CB 3.49Å; R119-K122 PolarHBondContact O-N 3.4Å; L120-K122 VanDerWaalsContact C-N 3.27Å; L120-K122 PolarHBondContact O-N 3.49Å; K122-C124 VanDerWaalsContact C-N 3.33Å; K122-C124 PolarHBondContact O-N 2.99Å; K122-V125 WeakPolarHBondContact O-CG2 3.5Å; K122-C126 PolarHBondContact O-SG 2.93Å; K122-E208 IonicContact NZ-OE2 2.71Å; K122-E208 PolarHBondContact NZ-OE2 2.9Å; K122-E211 HydrophobicContact CD-CB 3.87Å; K122-E211 IonicContact NZ-OE2 3.35Å; K122-E211 PolarHBondContact NZ-OE2 3.33Å; K122-L212 HydrophobicContact CB-CB 4.23Å; K122-L212 HydrophobicContact CB-CG 4.4Å; K122-L212 HydrophobicContact CD-CB 4.47Å; K122-L212 HydrophobicContact CG-CB 4.21Å; K122-L215 HydrophobicContact CD-CD1 3.74Å; K122-L215 HydrophobicContact CG-CD1 3.41Å; K122-L215 VanDerWaalsContact CG-CD1 3.41Å |
| 123 | L | 79.2 | Confident | 77.2 | Confident | 7 Ų | 7 | 12.8 Ų | 12.8 | 4% | 0.037 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.5 | -33.6 | 170.8 | -61.2 | -174.3 | 0 | 0 | 0 | 112.7 | L7 C10 R119 L120 V125 C126 S136 L139 M1140 | L7-L123 HydrophobicContact CD1-CD1 3.92Å; L7-L123 HydrophobicContact CD1-CG 4.43Å; C10-L123 HydrophobicContact CB-CD1 4.16Å; R119-L123 PolarHBondContact O-N 3.17Å; L120-L123 HydrophobicContact CD2-CD1 4.3Å; L120-L123 WeakPolarHBondContact O-CB 3.38Å; L120-L123 PolarHBondContact O-N 2.71Å; L123-V125 PolarHBondContact O-N 2.9Å; L123-V125 VanDerWaalsContact O-N 3.08Å; L123-C126 PolarHBondContact O-N 2.86Å; L123-C126 VanDerWaalsContact O-N 3.13Å; L123-S136 VanDerWaalsContact O-CB 3.3Å; L123-S136 WeakPolarHBondContact O-CB 3.3Å; L123-S136 PolarHBondContact O-OG 3.35Å; L123-L139 HydrophobicContact CB-CD1 3.53Å; L123-L139 HydrophobicContact CD1-CD1 3.79Å; L123-L139 HydrophobicContact CG-CD1 4.3Å; L123-M1140 HydrophobicContact CD2-CE 3.19Å; L123-M1140 HydrophobicContact CD2-SD 3.64Å |
| 124 | C | 82.4 | Confident | 77 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.1 | -179.3 | -61.6 | 0 | 0 | 0 | 0 | 114.1 | L120 L121 K122 S136 F140 R148 L151 | L120-C124 PolarHBondContact O-N 3.31Å; L120-C124 PolarHBondContact O-SG 3.26Å; L121-C124 VanDerWaalsContact O-CB 3.32Å; L121-C124 WeakPolarHBondContact O-CB 3.2Å; L121-C124 PolarHBondContact O-N 3.32Å; K122-C124 VanDerWaalsContact C-N 3.33Å; K122-C124 PolarHBondContact O-N 2.99Å; C124-S136 VanDerWaalsContact C-OG 3.26Å; C124-S136 PolarHBondContact O-OG 3.07Å; C124-F140 HydrophobicContact CB-CB 4.42Å; C124-F140 HydrophobicContact CB-CD2 4.45Å; C124-R148 PolarHBondContact O-NE 2.93Å; C124-L151 HydrophobicContact CB-CD2 3.87Å |
| 125 | V | 83 | Confident | 76.7 | Confident | 7 Ų | 7 | 17.3 Ų | 17.3 | 4% | 0.042 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -8.7 | 176.7 | -68.4 | 0 | 0 | 0 | 0 | 114.6 | K122 L123 Q127 W128 L151 V152 L215 | K122-V125 WeakPolarHBondContact O-CG2 3.5Å; L123-V125 PolarHBondContact O-N 2.9Å; L123-V125 VanDerWaalsContact O-N 3.08Å; V125-Q127 PolarHBondContact O-N 3.45Å; V125-W128 VanDerWaalsContact O-CD1 3.29Å; V125-W128 PolarHBondContact O-NE1 3.15Å; V125-L151 HydrophobicContact CG1-CD2 3.89Å; V125-V152 HydrophobicContact CG1-CG2 4.12Å; V125-L215 HydrophobicContact CG2-CB 3.99Å |
| 126 | C | 80.2 | Confident | 77 | Confident | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.014 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -77.2 | 22.1 | -177.9 | -63.3 | 0 | 0 | 0 | 0 | 115.3 | K122 L123 W128 H129 W132 S136 L448 | K122-C126 PolarHBondContact O-SG 2.93Å; L123-C126 PolarHBondContact O-N 2.86Å; L123-C126 VanDerWaalsContact O-N 3.13Å; C126-W128 PolarHBondContact O-N 3.07Å; C126-W128 VanDerWaalsContact O-N 3.12Å; C126-H129 PolarHBondContact O-N 3.2Å; C126-H129 VanDerWaalsContact O-N 3.12Å; C126-W132 HydrophobicContact CB-CB 4.14Å; C126-S136 PolarHBondContact N-OG 3.16Å; C126-L448 HydrophobicContact CB-CD1 4.1Å |
| 127 | Q | 82.1 | Confident | 77.3 | Confident | 75 Ų | 75 | 20.1 Ų | 20.1 | 35% | 0.35 | 11% | 0.105 | S | C | . | . | G | 310 helix | trans | -57.4 | -29.5 | -177.9 | -165.4 | -167.9 | 16.4 | 0 | 0 | 113.3 | V125 H129 S133 S136 D137 | V125-Q127 PolarHBondContact O-N 3.45Å; Q127-H129 PolarHBondContact O-N 3.35Å; Q127-S133 VanDerWaalsContact O-CB 3.28Å; Q127-S133 WeakPolarHBondContact O-CB 3.4Å; Q127-S136 PolarHBondContact N-OG 3.26Å; Q127-D137 PolarHBondContact NE2-OD1 3.31Å; Q127-D137 PolarHBondContact NE2-OD2 2.87Å |
| 128 | W | 77.2 | Confident | 77.2 | Confident | 13 Ų | 13 | 22.4 Ų | 22.4 | 5% | 0.049 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -71.8 | -6.1 | -179 | 56.4 | -95.9 | 0 | 0 | 0 | 114.4 | V125 C126 L215 H218 L222 L448 L451 V513 R514 | V125-W128 VanDerWaalsContact O-CD1 3.29Å; V125-W128 PolarHBondContact O-NE1 3.15Å; C126-W128 PolarHBondContact O-N 3.07Å; C126-W128 VanDerWaalsContact O-N 3.12Å; W128-L215 HydrophobicContact CH2-CD2 4.43Å; W128-L215 HydrophobicContact CZ2-CD2 3.75Å; W128-L215 PolarHBondContact NE1-O 3.04Å; W128-H218 AromaticContact CE2-CD2 3.78Å; W128-H218 AromaticContact CH2-CD2 3.79Å; W128-H218 AromaticContact CZ2-CD2 3.65Å; W128-H218 AromaticContact CZ3-NE2 3.99Å; W128-L222 HydrophobicContact CB-CD1 4.02Å; W128-L222 HydrophobicContact CD2-CD1 4.09Å; W128-L222 HydrophobicContact CE3-CD1 4.03Å; W128-L222 HydrophobicContact CG-CD1 4.12Å; W128-L448 HydrophobicContact CH2-CB 4.27Å; W128-L448 HydrophobicContact CH2-CD2 3.74Å; W128-L448 HydrophobicContact CH2-CG 4.48Å; W128-L448 HydrophobicContact CZ3-CD2 4.07Å; W128-L451 HydrophobicContact CH2-CD2 4.22Å; W128-L451 HydrophobicContact CZ3-CD2 3.96Å; W128-V513 CarbonylContact O-C 3.52Å; W128-V513 WeakPolarHBondContact O-CA 3.45Å; W128-R514 PolarHBondContact O-N 3.18Å |
| 129 | H | 76.2 | Confident | 77.1 | Confident | 6 Ų | 6 | 21.9 Ų | 21.9 | 3% | 0.028 | 12% | 0.116 | C | C | . | . | B | Isolated β-bridge | trans | -105.4 | 126.9 | 175.4 | -168.5 | -89 | 0 | 0 | 0 | 110.6 | C126 Q127 S131 W132 S133 L448 L512 | C126-H129 PolarHBondContact O-N 3.2Å; C126-H129 VanDerWaalsContact O-N 3.12Å; Q127-H129 PolarHBondContact O-N 3.35Å; H129-S131 PolarHBondContact CE1-OG 3.47Å; H129-S131 PolarHBondContact ND1-OG 3.23Å; H129-S131 PolarHBondContact O-N 3.12Å; H129-W132 HydrophobicContact CB-CB 4.45Å; H129-W132 AromaticContact ND1-CD1 3.45Å; H129-W132 PolarHBondContact O-N 2.96Å; H129-W132 VanDerWaalsContact O-N 3.08Å; H129-S133 PolarHBondContact O-N 2.93Å; H129-L448 HydrophobicContact CB-CD2 4.13Å; H129-L448 WeakPolarHBondContact CD2-CD2 3.47Å; H129-L512 WeakPolarHBondContact CA-O 3.49Å; H129-L512 WeakPolarHBondContact NE2-CB 3.49Å |
| 130 | D | 65.5 | Low | 77.5 | Confident | 54 Ų | 54 | 23.3 Ų | 23.3 | 29% | 0.289 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -54.5 | -51.9 | -169 | -90.6 | -57.3 | 0 | 0 | 0 | 113.6 | W132 S133 L512 R514 | D130-W132 VanDerWaalsContact C-N 3.27Å; D130-W132 PolarHBondContact O-N 3.13Å; D130-S133 PolarHBondContact O-N 3.36Å; D130-S133 PolarHBondContact O-OG 2.96Å; D130-L512 PolarHBondContact N-O 3.33Å; D130-R514 WeakPolarHBondContact OD1-CB 3.32Å; D130-R514 WeakPolarHBondContact OD1-CD 3.39Å; D130-R514 WeakPolarHBondContact OD1-CG 3.47Å; D130-R514 IonicContact OD1-CZ 3.05Å; D130-R514 IonicContact OD1-NE 3.64Å; D130-R514 PolarHBondContact OD1-NE 2.96Å |
| 131 | S | 65.7 | Low | 77.8 | Confident | 28 Ų | 28 | 27.2 Ų | 27.2 | 20% | 0.196 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.6 | -28 | -179.7 | 59 | 0 | 0 | 0 | 0 | 114.6 | H129 | H129-S131 PolarHBondContact CE1-OG 3.47Å; H129-S131 PolarHBondContact ND1-OG 3.23Å; H129-S131 PolarHBondContact O-N 3.12Å |
| 132 | W | 71 | Confident | 77.6 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -96.7 | -11.7 | -176.7 | -67.6 | 110.2 | 0 | 0 | 0 | 113 | L11 C14 C126 H129 D130 L134 I135 S136 M1140 | L11-W132 HydrophobicContact CD2-CH2 3.9Å; L11-W132 HydrophobicContact CD2-CZ2 4.42Å; C14-W132 WeakPolarHBondContact SG-CH2 3.28Å; C14-W132 WeakPolarHBondContact SG-CZ3 3.43Å; C126-W132 HydrophobicContact CB-CB 4.14Å; H129-W132 HydrophobicContact CB-CB 4.45Å; H129-W132 AromaticContact ND1-CD1 3.45Å; H129-W132 PolarHBondContact O-N 2.96Å; H129-W132 VanDerWaalsContact O-N 3.08Å; D130-W132 VanDerWaalsContact C-N 3.27Å; D130-W132 PolarHBondContact O-N 3.13Å; W132-L134 PolarHBondContact O-N 2.88Å; W132-I135 HydrophobicContact CE3-CB 4.4Å; W132-I135 HydrophobicContact CE3-CD1 4.01Å; W132-I135 HydrophobicContact CE3-CG2 4.48Å; W132-I135 HydrophobicContact CZ3-CD1 3.86Å; W132-I135 PolarHBondContact O-N 3.26Å; W132-S136 WeakPolarHBondContact O-CB 3.34Å; W132-S136 PolarHBondContact O-N 2.9Å; W132-M1140 HydrophobicContact CD2-CE 3.38Å; W132-M1140 HydrophobicContact CE3-CE 3.93Å; W132-M1140 HydrophobicContact CG-CE 3.67Å; W132-M1140 HydrophobicContact CH2-CE 4.24Å; W132-M1140 HydrophobicContact CH2-SD 4.24Å; W132-M1140 HydrophobicContact CZ2-CE 3.73Å; W132-M1140 HydrophobicContact CZ2-SD 3.79Å; W132-M1140 HydrophobicContact CZ3-CE 4.33Å; W132-M1140 PolarHBondContact NE1-O 2.64Å |
| 133 | S | 74.7 | Confident | 77.6 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.2 | -46.4 | -173.3 | 62.1 | 0 | 0 | 0 | 0 | 113.8 | Q127 H129 D130 S136 D137 R514 | Q127-S133 VanDerWaalsContact O-CB 3.28Å; Q127-S133 WeakPolarHBondContact O-CB 3.4Å; H129-S133 PolarHBondContact O-N 2.93Å; D130-S133 PolarHBondContact O-N 3.36Å; D130-S133 PolarHBondContact O-OG 2.96Å; S133-S136 PolarHBondContact O-N 3.44Å; S133-D137 PolarHBondContact O-N 3.33Å; S133-R514 PolarHBondContact OG-NH1 3.37Å |
| 134 | L | 71 | Confident | 77.8 | Confident | 116 Ų | 116 | 32.3 Ų | 32.3 | 61% | 0.607 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -62.3 | -50.9 | 177.2 | -70.6 | 169.1 | 0 | 0 | 0 | 112.4 | W132 S136 D137 V138 | W132-L134 PolarHBondContact O-N 2.88Å; L134-S136 VanDerWaalsContact C-N 3.29Å; L134-S136 PolarHBondContact O-N 3.09Å; L134-D137 PolarHBondContact O-N 2.82Å; L134-V138 WeakPolarHBondContact O-CG2 3.47Å; L134-V138 PolarHBondContact O-N 3.25Å |
| 135 | I | 73.8 | Confident | 77.8 | Confident | 17 Ų | 17 | 33.9 Ų | 33.9 | 9% | 0.087 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.6 | -38.1 | 179.1 | -64.2 | 173.7 | 0 | 0 | 0 | 110.5 | C10 C14 L22 W132 V138 L139 | C10-I135 HydrophobicContact CB-CG2 4.36Å; C14-I135 VanDerWaalsContact SG-CD1 3.58Å; L22-I135 HydrophobicContact CD2-CG1 4.41Å; W132-I135 HydrophobicContact CE3-CB 4.4Å; W132-I135 HydrophobicContact CE3-CD1 4.01Å; W132-I135 HydrophobicContact CE3-CG2 4.48Å; W132-I135 HydrophobicContact CZ3-CD1 3.86Å; W132-I135 PolarHBondContact O-N 3.26Å; I135-V138 PolarHBondContact O-N 2.99Å; I135-L139 HydrophobicContact CG2-CD1 3.77Å; I135-L139 HydrophobicContact CG2-CG 4.25Å; I135-L139 VanDerWaalsContact O-CB 3.3Å; I135-L139 WeakPolarHBondContact O-CB 3.27Å; I135-L139 VanDerWaalsContact O-CG 3.26Å; I135-L139 WeakPolarHBondContact O-CG 3.45Å; I135-L139 PolarHBondContact O-N 3.46Å |
| 136 | S | 79.5 | Confident | 77.8 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.4 | -40.5 | 177.1 | -164.1 | 0 | 0 | 0 | 0 | 112.2 | L123 C124 C126 Q127 W132 S133 L134 F140 R148 | L123-S136 VanDerWaalsContact O-CB 3.3Å; L123-S136 WeakPolarHBondContact O-CB 3.3Å; L123-S136 PolarHBondContact O-OG 3.35Å; C124-S136 VanDerWaalsContact C-OG 3.26Å; C124-S136 PolarHBondContact O-OG 3.07Å; C126-S136 PolarHBondContact N-OG 3.16Å; Q127-S136 PolarHBondContact N-OG 3.26Å; W132-S136 WeakPolarHBondContact O-CB 3.34Å; W132-S136 PolarHBondContact O-N 2.9Å; S133-S136 PolarHBondContact O-N 3.44Å; L134-S136 VanDerWaalsContact C-N 3.29Å; L134-S136 PolarHBondContact O-N 3.09Å; S136-F140 WeakPolarHBondContact O-CB 3.13Å; S136-F140 PolarHBondContact O-N 3.38Å; S136-R148 PolarHBondContact O-NH2 3.23Å; S136-R148 PolarHBondContact OG-NH2 3.27Å |
| 137 | D | 81 | Confident | 78 | Confident | 63 Ų | 63 | 44.8 Ų | 44.8 | 34% | 0.337 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71.1 | -41.1 | 176.4 | -78.4 | -27.8 | 0 | 0 | 0 | 112.3 | Q127 S133 L134 A141 R148 | Q127-D137 PolarHBondContact NE2-OD1 3.31Å; Q127-D137 PolarHBondContact NE2-OD2 2.87Å; S133-D137 PolarHBondContact O-N 3.33Å; L134-D137 PolarHBondContact O-N 2.82Å; D137-A141 WeakPolarHBondContact O-CB 3.45Å; D137-A141 PolarHBondContact O-N 3.43Å; D137-R148 IonicContact OD1-CZ 2.76Å; D137-R148 IonicContact OD1-NH1 2.7Å; D137-R148 PolarHBondContact OD1-NH1 3.44Å; D137-R148 IonicContact OD1-NH2 3.54Å; D137-R148 PolarHBondContact OD1-NH2 3.33Å |
| 138 | V | 77.7 | Confident | 78.1 | Confident | 54 Ų | 54 | 43.1 Ų | 43.1 | 33% | 0.327 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.9 | -45.9 | 173.6 | 172 | 0 | 0 | 0 | 0 | 111.6 | L23 L26 L134 I135 A141 M142 | L23-V138 HydrophobicContact CD2-CG1 4.5Å; L26-V138 HydrophobicContact CD1-CG1 3.88Å; L134-V138 WeakPolarHBondContact O-CG2 3.47Å; L134-V138 PolarHBondContact O-N 3.25Å; I135-V138 PolarHBondContact O-N 2.99Å; V138-A141 PolarHBondContact O-N 3.41Å; V138-M142 HydrophobicContact CG1-CE 4.09Å |
| 139 | L | 79.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 178.2 | -74.5 | 172.8 | 0 | 0 | 0 | 112.2 | L26 L33 L120 L123 I135 A141 M142 | L26-L139 HydrophobicContact CD1-CD2 4.03Å; L26-L139 HydrophobicContact CD2-CD2 3.5Å; L26-L139 VanDerWaalsContact CD2-CD2 3.5Å; L26-L139 HydrophobicContact CG-CD2 4.42Å; L33-L139 HydrophobicContact CD1-CD2 3.91Å; L120-L139 HydrophobicContact CD2-CD2 4.41Å; L123-L139 HydrophobicContact CB-CD1 3.53Å; L123-L139 HydrophobicContact CD1-CD1 3.79Å; L123-L139 HydrophobicContact CG-CD1 4.3Å; I135-L139 HydrophobicContact CG2-CD1 3.77Å; I135-L139 HydrophobicContact CG2-CG 4.25Å; I135-L139 VanDerWaalsContact O-CB 3.3Å; I135-L139 WeakPolarHBondContact O-CB 3.27Å; I135-L139 VanDerWaalsContact O-CG 3.26Å; I135-L139 WeakPolarHBondContact O-CG 3.45Å; I135-L139 PolarHBondContact O-N 3.46Å; L139-A141 VanDerWaalsContact C-N 3.3Å; L139-A141 PolarHBondContact O-N 2.97Å; L139-M142 PolarHBondContact O-N 3.33Å |
| 140 | F | 83.7 | Confident | 78.7 | Confident | 32 Ų | 32 | 48.4 Ų | 48.4 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 179.1 | -176.8 | -102 | 0 | 0 | 0 | 111.7 | C124 S136 M142 T143 Y145 R148 L151 | C124-F140 HydrophobicContact CB-CB 4.42Å; C124-F140 HydrophobicContact CB-CD2 4.45Å; S136-F140 WeakPolarHBondContact O-CB 3.13Å; S136-F140 PolarHBondContact O-N 3.38Å; F140-M142 PolarHBondContact O-N 3.03Å; F140-M142 VanDerWaalsContact O-N 3.15Å; F140-T143 WeakPolarHBondContact O-CB 3.25Å; F140-T143 PolarHBondContact O-N 3.41Å; F140-T143 PolarHBondContact O-OG1 3.01Å; F140-Y145 VanDerWaalsContact CZ-O 3.31Å; F140-Y145 WeakPolarHBondContact CZ-O 3.35Å; F140-R148 HydrophobicContact CD1-CG 4.37Å; F140-R148 HydrophobicContact CD2-CG 3.7Å; F140-R148 HydrophobicContact CE1-CG 4.35Å; F140-R148 HydrophobicContact CE2-CB 4.4Å; F140-R148 HydrophobicContact CE2-CG 3.68Å; F140-R148 HydrophobicContact CG-CG 4.08Å; F140-R148 HydrophobicContact CZ-CG 4.04Å; F140-L151 HydrophobicContact CD2-CD2 4.48Å |
| 141 | A | 82.9 | Confident | 79.7 | Confident | 83 Ų | 83 | 45.8 Ų | 45.8 | 69% | 0.686 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -10.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | D137 V138 L139 | D137-A141 WeakPolarHBondContact O-CB 3.45Å; D137-A141 PolarHBondContact O-N 3.43Å; V138-A141 PolarHBondContact O-N 3.41Å; L139-A141 VanDerWaalsContact C-N 3.3Å; L139-A141 PolarHBondContact O-N 2.97Å |
| 142 | M | 79.5 | Confident | 80.7 | Confident | 25 Ų | 25 | 44.6 Ų | 44.6 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -5.3 | 170.3 | -59.9 | -163.8 | -170.7 | 0 | 0 | 113.7 | L23 L26 L33 Q34 V138 L139 F140 | L23-M142 HydrophobicContact CD2-CE 3.96Å; L26-M142 HydrophobicContact CB-CE 3.69Å; L26-M142 HydrophobicContact CB-SD 3.87Å; L26-M142 HydrophobicContact CD1-CE 4.07Å; L33-M142 HydrophobicContact CB-CB 4.41Å; L33-M142 HydrophobicContact CD1-CB 4.31Å; Q34-M142 PolarHBondContact N-O 3.35Å; V138-M142 HydrophobicContact CG1-CE 4.09Å; L139-M142 PolarHBondContact O-N 3.33Å; F140-M142 PolarHBondContact O-N 3.03Å; F140-M142 VanDerWaalsContact O-N 3.15Å |
| 143 | T | 84.5 | Confident | 81.4 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -87.6 | 171.9 | 175.8 | 76.2 | 0 | 0 | 0 | 0 | 111.9 | L33 L121 F140 | L33-T143 HydrophobicContact CD2-CG2 4.47Å; L121-T143 HydrophobicContact CD2-CG2 4.2Å; F140-T143 WeakPolarHBondContact O-CB 3.25Å; F140-T143 PolarHBondContact O-N 3.41Å; F140-T143 PolarHBondContact O-OG1 3.01Å |
| 144 | S | 82.8 | Confident | 82 | Confident | 79 Ų | 79 | 47.8 Ų | 47.8 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -99.1 | 7.9 | 177.4 | 53.6 | 0 | 0 | 0 | 0 | 114.6 | Q34 | Q34-S144 VanDerWaalsContact O-CB 3.27Å; Q34-S144 WeakPolarHBondContact O-CB 3.42Å; Q34-S144 PolarHBondContact O-OG 3.09Å |
| 145 | Y | 83.1 | Confident | 82.7 | Confident | 34 Ų | 34 | 42.2 Ų | 42.2 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | trans | -88.1 | 133.1 | -176.4 | -60.9 | -80.4 | 0 | 0 | 0 | 111.6 | F140 S147 D150 L151 D154 | F140-Y145 VanDerWaalsContact CZ-O 3.31Å; F140-Y145 WeakPolarHBondContact CZ-O 3.35Å; Y145-S147 VanDerWaalsContact C-N 3.33Å; Y145-S147 PolarHBondContact O-N 3.08Å; Y145-D150 HydrophobicContact CD1-CB 4.19Å; Y145-L151 HydrophobicContact CD1-CB 4.45Å; Y145-L151 HydrophobicContact CD2-CB 4.07Å; Y145-L151 HydrophobicContact CD2-CD1 3.83Å; Y145-L151 HydrophobicContact CD2-CG 4.5Å; Y145-L151 HydrophobicContact CE2-CB 4.47Å; Y145-L151 HydrophobicContact CE2-CD1 3.52Å; Y145-L151 HydrophobicContact CG-CB 4.08Å; Y145-D154 HydrophobicContact CE1-CB 3.76Å; Y145-D154 PolarHBondContact OH-OD2 3.25Å | ||
| 146 | E | 81.4 | Confident | 83.3 | Confident | 193 Ų | 193 | 41.5 Ų | 41.5 | 90% | 0.902 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -67.5 | -32.7 | 177.8 | -65 | -174.3 | 177.3 | 0 | 0 | 112.5 | ||
| 147 | S | 84.9 | Confident | 83.8 | Confident | 44 Ų | 44 | 44.5 Ų | 44.5 | 31% | 0.308 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -141.1 | 157.9 | 173.8 | 84 | 0 | 0 | 0 | 0 | 113.3 | Y145 R149 D150 L151 | Y145-S147 VanDerWaalsContact C-N 3.33Å; Y145-S147 PolarHBondContact O-N 3.08Å; S147-R149 PolarHBondContact O-N 2.77Å; S147-R149 VanDerWaalsContact O-N 3.16Å; S147-R149 WeakPolarHBondContact OG-CB 3.32Å; S147-R149 PolarHBondContact OG-N 3.23Å; S147-D150 VanDerWaalsContact CB-OD2 3.31Å; S147-D150 WeakPolarHBondContact CB-OD2 3.37Å; S147-D150 PolarHBondContact N-OD2 3.23Å; S147-D150 PolarHBondContact O-N 3.42Å; S147-D150 PolarHBondContact OG-N 2.78Å; S147-D150 PolarHBondContact OG-OD2 2.8Å; S147-L151 PolarHBondContact O-N 2.72Å |
| 148 | R | 84.1 | Confident | 84.1 | Confident | 41 Ų | 41 | 43.2 Ų | 43.2 | 16% | 0.155 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -22.3 | 172.8 | -73.6 | 178.8 | 165.5 | 103.3 | 5.2 | 113.2 | C124 S136 D137 F140 V152 | C124-R148 PolarHBondContact O-NE 2.93Å; S136-R148 PolarHBondContact O-NH2 3.23Å; S136-R148 PolarHBondContact OG-NH2 3.27Å; D137-R148 IonicContact OD1-CZ 2.76Å; D137-R148 IonicContact OD1-NH1 2.7Å; D137-R148 PolarHBondContact OD1-NH1 3.44Å; D137-R148 IonicContact OD1-NH2 3.54Å; D137-R148 PolarHBondContact OD1-NH2 3.33Å; F140-R148 HydrophobicContact CD1-CG 4.37Å; F140-R148 HydrophobicContact CD2-CG 3.7Å; F140-R148 HydrophobicContact CE1-CG 4.35Å; F140-R148 HydrophobicContact CE2-CB 4.4Å; F140-R148 HydrophobicContact CE2-CG 3.68Å; F140-R148 HydrophobicContact CG-CG 4.08Å; F140-R148 HydrophobicContact CZ-CG 4.04Å; R148-V152 WeakPolarHBondContact O-CG2 3.43Å; R148-V152 PolarHBondContact O-N 2.82Å |
| 149 | R | 81.9 | Confident | 84.6 | Confident | 63 Ų | 63 | 40.7 Ų | 40.7 | 24% | 0.238 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67 | -40.3 | 172.6 | -177.4 | -173.4 | -176.9 | 163.8 | 5.9 | 111.3 | S147 V152 V153 L220 N228 | S147-R149 PolarHBondContact O-N 2.77Å; S147-R149 VanDerWaalsContact O-N 3.16Å; S147-R149 WeakPolarHBondContact OG-CB 3.32Å; S147-R149 PolarHBondContact OG-N 3.23Å; R149-V152 PolarHBondContact O-N 3.02Å; R149-V153 HydrophobicContact CG-CG2 4.44Å; R149-V153 WeakPolarHBondContact O-CG2 3.41Å; R149-V153 PolarHBondContact O-N 3.35Å; R149-L220 HydrophobicContact CB-CD2 4.33Å; R149-N228 PolarHBondContact NH1-OD1 3.34Å |
| 150 | D | 85 | Confident | 85 | Confident | 66 Ų | 66 | 42.5 Ų | 42.5 | 35% | 0.353 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -70.2 | -37.3 | -176.1 | -51.7 | -56 | 0 | 0 | 0 | 110.9 | Y145 S147 V152 V153 D154 | Y145-D150 HydrophobicContact CD1-CB 4.19Å; S147-D150 VanDerWaalsContact CB-OD2 3.31Å; S147-D150 WeakPolarHBondContact CB-OD2 3.37Å; S147-D150 PolarHBondContact N-OD2 3.23Å; S147-D150 PolarHBondContact O-N 3.42Å; S147-D150 PolarHBondContact OG-N 2.78Å; S147-D150 PolarHBondContact OG-OD2 2.8Å; D150-V152 PolarHBondContact O-N 3.18Å; D150-V153 PolarHBondContact O-N 3.27Å; D150-D154 WeakPolarHBondContact O-CB 3.39Å; D150-D154 PolarHBondContact O-N 2.7Å |
| 151 | L | 86.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.2 | -46.1 | 168.6 | 175.5 | 64.5 | 0 | 0 | 0 | 112 | F37 L121 C124 V125 F140 Y145 S147 D154 A155 | F37-L151 HydrophobicContact CE2-CD1 4.16Å; L121-L151 HydrophobicContact CD2-CD1 4.16Å; C124-L151 HydrophobicContact CB-CD2 3.87Å; V125-L151 HydrophobicContact CG1-CD2 3.89Å; F140-L151 HydrophobicContact CD2-CD2 4.48Å; Y145-L151 HydrophobicContact CD1-CB 4.45Å; Y145-L151 HydrophobicContact CD2-CB 4.07Å; Y145-L151 HydrophobicContact CD2-CD1 3.83Å; Y145-L151 HydrophobicContact CD2-CG 4.5Å; Y145-L151 HydrophobicContact CE2-CB 4.47Å; Y145-L151 HydrophobicContact CE2-CD1 3.52Å; Y145-L151 HydrophobicContact CG-CB 4.08Å; S147-L151 PolarHBondContact O-N 2.72Å; L151-D154 PolarHBondContact O-N 3.26Å; L151-A155 VanDerWaalsContact O-CB 3.3Å; L151-A155 WeakPolarHBondContact O-CB 3.43Å; L151-A155 PolarHBondContact O-N 3.48Å |
| 152 | V | 86 | Confident | 85.1 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.7 | -35.8 | 177.8 | 173.7 | 0 | 0 | 0 | 0 | 112 | V125 R148 R149 D150 L156 I213 V217 | V125-V152 HydrophobicContact CG1-CG2 4.12Å; R148-V152 WeakPolarHBondContact O-CG2 3.43Å; R148-V152 PolarHBondContact O-N 2.82Å; R149-V152 PolarHBondContact O-N 3.02Å; D150-V152 PolarHBondContact O-N 3.18Å; V152-L156 HydrophobicContact CG1-CD1 4.44Å; V152-L156 PolarHBondContact O-N 3.3Å; V152-I213 HydrophobicContact CG1-CG2 4.46Å; V152-V217 HydrophobicContact CG1-CG2 4.24Å |
| 153 | V | 86.3 | Confident | 85.3 | Confident | 44 Ų | 44 | 39.8 Ų | 39.8 | 27% | 0.267 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.9 | -40.2 | 176.5 | 171 | 0 | 0 | 0 | 0 | 111.7 | R149 D150 L156 N157 | R149-V153 HydrophobicContact CG-CG2 4.44Å; R149-V153 WeakPolarHBondContact O-CG2 3.41Å; R149-V153 PolarHBondContact O-N 3.35Å; D150-V153 PolarHBondContact O-N 3.27Å; V153-L156 WeakPolarHBondContact O-CB 3.23Å; V153-L156 PolarHBondContact O-N 3.05Å; V153-N157 PolarHBondContact O-N 3.02Å; V153-N157 VanDerWaalsContact O-N 3.12Å; V153-N157 PolarHBondContact O-ND2 3.18Å; V153-N157 VanDerWaalsContact O-ND2 3.17Å |
| 154 | D | 86.3 | Confident | 85.3 | Confident | 27 Ų | 27 | 44.2 Ų | 44.2 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.9 | -35.7 | 176 | -153.3 | 40.7 | 0 | 0 | 0 | 111.1 | K38 Y145 D150 L151 N157 E158 | K38-D154 IonicContact NZ-OD1 3.81Å; K38-D154 PolarHBondContact NZ-OD1 3.39Å; K38-D154 IonicContact NZ-OD2 2.64Å; K38-D154 PolarHBondContact NZ-OD2 2.85Å; Y145-D154 HydrophobicContact CE1-CB 3.76Å; Y145-D154 PolarHBondContact OH-OD2 3.25Å; D150-D154 WeakPolarHBondContact O-CB 3.39Å; D150-D154 PolarHBondContact O-N 2.7Å; L151-D154 PolarHBondContact O-N 3.26Å; D154-N157 WeakPolarHBondContact O-CB 3.42Å; D154-N157 PolarHBondContact O-N 2.94Å; D154-E158 PolarHBondContact O-N 3.33Å |
| 155 | A | 86.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.4 | -39.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113 | F37 L151 N157 E158 Y159 L209 L212 I213 | F37-A155 HydrophobicContact CE2-CB 3.74Å; F37-A155 HydrophobicContact CZ-CB 3.63Å; L151-A155 VanDerWaalsContact O-CB 3.3Å; L151-A155 WeakPolarHBondContact O-CB 3.43Å; L151-A155 PolarHBondContact O-N 3.48Å; A155-N157 VanDerWaalsContact C-N 3.33Å; A155-E158 PolarHBondContact O-N 2.9Å; A155-Y159 VanDerWaalsContact O-CB 3.24Å; A155-Y159 WeakPolarHBondContact O-CB 3.3Å; A155-Y159 PolarHBondContact O-N 3.21Å; A155-L209 HydrophobicContact CB-CD2 4.38Å; A155-L212 HydrophobicContact CB-CD2 3.71Å; A155-I213 HydrophobicContact CB-CD1 4.49Å; A155-I213 HydrophobicContact CB-CG1 4.02Å |
| 156 | L | 86.9 | Confident | 85.1 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.6 | -36 | 172.7 | -88.2 | 160.9 | 0 | 0 | 0 | 112.6 | V152 V153 L160 I213 V236 T239 F240 | V152-L156 HydrophobicContact CG1-CD1 4.44Å; V152-L156 PolarHBondContact O-N 3.3Å; V153-L156 WeakPolarHBondContact O-CB 3.23Å; V153-L156 PolarHBondContact O-N 3.05Å; L156-L160 PolarHBondContact O-N 3.25Å; L156-I213 HydrophobicContact CD1-CG2 4.45Å; L156-I213 HydrophobicContact CD2-CD1 4.01Å; L156-I213 HydrophobicContact CD2-CG2 4.16Å; L156-I213 HydrophobicContact CG-CD1 3.98Å; L156-I213 HydrophobicContact CG-CG1 4.26Å; L156-I213 HydrophobicContact CG-CG2 4.1Å; L156-V236 HydrophobicContact CD1-CG2 3.93Å; L156-V236 HydrophobicContact CD2-CG2 4.48Å; L156-T239 HydrophobicContact CD2-CG2 4.09Å; L156-F240 HydrophobicContact CD2-CE1 4.19Å; L156-F240 HydrophobicContact CD2-CZ 4.35Å |
| 157 | N | 88.8 | Confident | 84.8 | Confident | 64 Ų | 64 | 34.3 Ų | 34.3 | 34% | 0.342 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -70.3 | -48.1 | 175.3 | -58 | -35.9 | 0 | 0 | 0 | 110.9 | V153 D154 A155 Y159 L160 V161 | V153-N157 PolarHBondContact O-N 3.02Å; V153-N157 VanDerWaalsContact O-N 3.12Å; V153-N157 PolarHBondContact O-ND2 3.18Å; V153-N157 VanDerWaalsContact O-ND2 3.17Å; D154-N157 WeakPolarHBondContact O-CB 3.42Å; D154-N157 PolarHBondContact O-N 2.94Å; A155-N157 VanDerWaalsContact C-N 3.33Å; N157-Y159 VanDerWaalsContact C-N 3.32Å; N157-Y159 PolarHBondContact O-N 2.81Å; N157-L160 PolarHBondContact O-N 2.81Å; N157-V161 PolarHBondContact O-N 3.48Å; N157-V161 VanDerWaalsContact O-N 3.11Å |
| 158 | E | 87.9 | Confident | 84.6 | Confident | 36 Ų | 36 | 35.2 Ų | 35.2 | 17% | 0.168 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.7 | -41 | 178.1 | -178.4 | 63.2 | -156.6 | 0 | 0 | 111.5 | F37 D154 A155 L160 V161 Q162 L209 | F37-E158 HydrophobicContact CB-CB 4.33Å; F37-E158 HydrophobicContact CB-CG 3.89Å; F37-E158 HydrophobicContact CD1-CG 4.03Å; F37-E158 HydrophobicContact CD2-CB 4.45Å; F37-E158 HydrophobicContact CG-CB 4.18Å; F37-E158 HydrophobicContact CG-CG 3.96Å; D154-E158 PolarHBondContact O-N 3.33Å; A155-E158 PolarHBondContact O-N 2.9Å; E158-L160 VanDerWaalsContact C-N 3.33Å; E158-L160 PolarHBondContact O-N 3.37Å; E158-V161 PolarHBondContact O-N 3.28Å; E158-Q162 HydrophobicContact CG-CG 4.3Å; E158-Q162 WeakPolarHBondContact O-CG 3.48Å; E158-Q162 PolarHBondContact O-N 2.92Å; E158-Q162 WeakPolarHBondContact OE1-CG 3.24Å; E158-Q162 PolarHBondContact OE1-NE2 3.04Å; E158-L209 HydrophobicContact CG-CD1 4.45Å; E158-L209 HydrophobicContact CG-CD2 4.5Å |
| 159 | Y | 88.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.3 | -45.3 | 174.5 | 175 | -98.3 | 0 | 0 | 0 | 112.1 | A155 N157 Q162 Y163 L206 L209 L210 I213 F240 I243 Q266 | A155-Y159 VanDerWaalsContact O-CB 3.24Å; A155-Y159 WeakPolarHBondContact O-CB 3.3Å; A155-Y159 PolarHBondContact O-N 3.21Å; N157-Y159 VanDerWaalsContact C-N 3.32Å; N157-Y159 PolarHBondContact O-N 2.81Å; Y159-Q162 PolarHBondContact O-N 3.1Å; Y159-Y163 VanDerWaalsContact O-CB 3.22Å; Y159-Y163 WeakPolarHBondContact O-CB 3.34Å; Y159-Y163 PolarHBondContact O-N 2.86Å; Y159-L206 HydrophobicContact CD2-CD2 3.67Å; Y159-L206 HydrophobicContact CE2-CB 3.99Å; Y159-L206 HydrophobicContact CE2-CD2 3.55Å; Y159-L206 HydrophobicContact CE2-CG 4.33Å; Y159-L209 HydrophobicContact CD2-CB 4.09Å; Y159-L210 HydrophobicContact CD1-CD2 4.45Å; Y159-L210 HydrophobicContact CD2-CD2 4.12Å; Y159-L210 HydrophobicContact CD2-CG 3.95Å; Y159-L210 HydrophobicContact CE1-CD2 4.11Å; Y159-L210 HydrophobicContact CE2-CD1 3.68Å; Y159-L210 HydrophobicContact CE2-CD2 3.75Å; Y159-L210 HydrophobicContact CE2-CG 3.46Å; Y159-L210 VanDerWaalsContact CE2-CG 3.46Å; Y159-L210 HydrophobicContact CG-CD2 4.47Å; Y159-I213 HydrophobicContact CG-CD1 4.46Å; Y159-F240 HydrophobicContact CD1-CE1 4.25Å; Y159-F240 HydrophobicContact CE1-CD1 4.34Å; Y159-F240 HydrophobicContact CE1-CE1 4.02Å; Y159-I243 HydrophobicContact CE1-CD1 3.64Å; Y159-Q266 PolarHBondContact OH-NE2 3.35Å |
| 160 | L | 86.4 | Confident | 83.6 | Confident | 38 Ų | 38 | 34.1 Ų | 34.1 | 20% | 0.199 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.7 | -39.4 | 178.1 | -176.5 | 149.5 | 0 | 0 | 0 | 111.8 | L156 N157 E158 Y163 Q164 T239 | L156-L160 PolarHBondContact O-N 3.25Å; N157-L160 PolarHBondContact O-N 2.81Å; E158-L160 VanDerWaalsContact C-N 3.33Å; E158-L160 PolarHBondContact O-N 3.37Å; L160-Y163 PolarHBondContact O-N 3.33Å; L160-Q164 HydrophobicContact CD2-CG 4.42Å; L160-Q164 WeakPolarHBondContact O-CG 3.1Å; L160-Q164 PolarHBondContact O-N 2.84Å; L160-T239 HydrophobicContact CB-CG2 4.5Å; L160-T239 HydrophobicContact CD1-CG2 4.15Å |
| 161 | V | 85.8 | Confident | 83 | Confident | 62 Ų | 62 | 36.9 Ų | 36.9 | 38% | 0.376 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.1 | -49.6 | 175.1 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | N157 E158 Y163 Q164 N165 | N157-V161 PolarHBondContact O-N 3.48Å; N157-V161 VanDerWaalsContact O-N 3.11Å; E158-V161 PolarHBondContact O-N 3.28Å; V161-Y163 VanDerWaalsContact C-N 3.29Å; V161-Y163 PolarHBondContact O-N 2.86Å; V161-Q164 PolarHBondContact O-N 3.35Å; V161-N165 WeakPolarHBondContact O-CB 3.49Å; V161-N165 PolarHBondContact O-N 3.23Å; V161-N165 PolarHBondContact O-ND2 3.35Å |
| 162 | Q | 82.5 | Confident | 82.2 | Confident | 17 Ų | 17 | 39.6 Ų | 39.6 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.3 | -32 | 178 | -65.1 | -64.1 | -20.2 | 0 | 0 | 112.2 | E158 Y159 T166 L206 L209 | E158-Q162 HydrophobicContact CG-CG 4.3Å; E158-Q162 WeakPolarHBondContact O-CG 3.48Å; E158-Q162 PolarHBondContact O-N 2.92Å; E158-Q162 WeakPolarHBondContact OE1-CG 3.24Å; E158-Q162 PolarHBondContact OE1-NE2 3.04Å; Y159-Q162 PolarHBondContact O-N 3.1Å; Q162-T166 WeakPolarHBondContact O-CB 3.43Å; Q162-T166 PolarHBondContact O-N 3.07Å; Q162-T166 PolarHBondContact O-OG1 2.8Å; Q162-L206 HydrophobicContact CB-CD2 3.84Å; Q162-L209 HydrophobicContact CG-CD1 4.43Å |
| 163 | Y | 84.5 | Confident | 81.1 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 2% | 0.02 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.1 | -51.1 | 174.1 | -173.2 | -81.1 | 0 | 0 | 0 | 110.9 | Y159 L160 V161 N165 T166 C167 L206 I243 G246 S248 L249 | Y159-Y163 VanDerWaalsContact O-CB 3.22Å; Y159-Y163 WeakPolarHBondContact O-CB 3.34Å; Y159-Y163 PolarHBondContact O-N 2.86Å; L160-Y163 PolarHBondContact O-N 3.33Å; V161-Y163 VanDerWaalsContact C-N 3.29Å; V161-Y163 PolarHBondContact O-N 2.86Å; Y163-N165 PolarHBondContact O-N 2.66Å; Y163-T166 PolarHBondContact O-N 3.25Å; Y163-T166 VanDerWaalsContact O-N 3.14Å; Y163-C167 WeakPolarHBondContact CE1-SG 3.34Å; Y163-C167 PolarHBondContact O-N 3.46Å; Y163-C167 PolarHBondContact O-SG 3.32Å; Y163-L206 HydrophobicContact CD2-CD1 4.41Å; Y163-I243 HydrophobicContact CD1-CB 3.94Å; Y163-I243 HydrophobicContact CD1-CD1 4.35Å; Y163-I243 HydrophobicContact CD1-CG2 3.63Å; Y163-I243 HydrophobicContact CD2-CD1 3.96Å; Y163-I243 HydrophobicContact CE1-CB 3.64Å; Y163-I243 HydrophobicContact CE1-CD1 4.43Å; Y163-I243 HydrophobicContact CE1-CG2 3.84Å; Y163-I243 HydrophobicContact CE2-CD1 4.04Å; Y163-I243 HydrophobicContact CG-CD1 4.13Å; Y163-I243 HydrophobicContact CG-CG2 4.29Å; Y163-G246 VanDerWaalsContact OH-CA 3.25Å; Y163-G246 WeakPolarHBondContact OH-CA 3.28Å; Y163-G246 PolarHBondContact OH-O 2.86Å; Y163-S248 PolarHBondContact OH-OG 2.96Å; Y163-L249 HydrophobicContact CD2-CD1 4.1Å; Y163-L249 HydrophobicContact CE2-CD1 3.42Å; Y163-L249 VanDerWaalsContact CE2-CD1 3.42Å; Y163-L249 HydrophobicContact CE2-CG 3.83Å |
| 164 | Q | 85.4 | Confident | 79.7 | Confident | 110 Ų | 110 | 45.5 Ų | 45.5 | 51% | 0.514 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 177.4 | -73.6 | 179 | -13.2 | 0 | 0 | 112 | L160 V161 T166 C167 S168 | L160-Q164 HydrophobicContact CD2-CG 4.42Å; L160-Q164 WeakPolarHBondContact O-CG 3.1Å; L160-Q164 PolarHBondContact O-N 2.84Å; V161-Q164 PolarHBondContact O-N 3.35Å; Q164-T166 VanDerWaalsContact C-N 3.32Å; Q164-T166 PolarHBondContact O-N 3.13Å; Q164-C167 PolarHBondContact O-N 3.41Å; Q164-S168 PolarHBondContact O-N 3.42Å |
| 165 | N | 81 | Confident | 78.2 | Confident | 78 Ų | 78 | 51.4 Ų | 51.4 | 42% | 0.417 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.4 | -46.2 | 173.9 | -69.7 | -17.5 | 0 | 0 | 0 | 111.1 | V161 Y163 C167 S168 L169 | V161-N165 WeakPolarHBondContact O-CB 3.49Å; V161-N165 PolarHBondContact O-N 3.23Å; V161-N165 PolarHBondContact O-ND2 3.35Å; Y163-N165 PolarHBondContact O-N 2.66Å; N165-C167 PolarHBondContact O-N 2.77Å; N165-S168 PolarHBondContact O-N 3.27Å; N165-S168 PolarHBondContact O-OG 3.36Å; N165-L169 WeakPolarHBondContact O-CB 3.06Å; N165-L169 PolarHBondContact O-N 2.65Å |
| 166 | T | 79.1 | Confident | 76.3 | Confident | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 179.2 | -56 | 0 | 0 | 0 | 0 | 111.8 | Q162 Y163 Q164 L169 I170 K202 L206 L249 | Q162-T166 WeakPolarHBondContact O-CB 3.43Å; Q162-T166 PolarHBondContact O-N 3.07Å; Q162-T166 PolarHBondContact O-OG1 2.8Å; Y163-T166 PolarHBondContact O-N 3.25Å; Y163-T166 VanDerWaalsContact O-N 3.14Å; Q164-T166 VanDerWaalsContact C-N 3.32Å; Q164-T166 PolarHBondContact O-N 3.13Å; T166-L169 PolarHBondContact O-N 3.13Å; T166-I170 HydrophobicContact CG2-CD1 4.19Å; T166-I170 WeakPolarHBondContact O-CD1 3.33Å; T166-I170 VanDerWaalsContact O-CG1 3.3Å; T166-I170 WeakPolarHBondContact O-CG1 3.46Å; T166-I170 PolarHBondContact O-N 3.2Å; T166-I170 VanDerWaalsContact O-N 3.09Å; T166-K202 HydrophobicContact CG2-CB 4.11Å; T166-L206 HydrophobicContact CG2-CD1 4.41Å; T166-L249 HydrophobicContact CG2-CD2 4.18Å |
| 167 | C | 76.6 | Confident | 74.4 | Confident | 16 Ų | 16 | 59.1 Ų | 59.1 | 11% | 0.108 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 174.1 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | Y163 Q164 N165 L169 I170 E171 | Y163-C167 WeakPolarHBondContact CE1-SG 3.34Å; Y163-C167 PolarHBondContact O-N 3.46Å; Y163-C167 PolarHBondContact O-SG 3.32Å; Q164-C167 PolarHBondContact O-N 3.41Å; N165-C167 PolarHBondContact O-N 2.77Å; C167-L169 VanDerWaalsContact C-N 3.25Å; C167-L169 PolarHBondContact O-N 3.2Å; C167-I170 WeakPolarHBondContact O-CB 3.33Å; C167-I170 PolarHBondContact O-N 2.88Å; C167-I170 VanDerWaalsContact O-N 3.07Å; C167-E171 WeakPolarHBondContact O-CG 2.91Å; C167-E171 PolarHBondContact O-N 3Å |
| 168 | S | 79.4 | Confident | 72 | Confident | 63 Ų | 63 | 61.5 Ų | 61.5 | 44% | 0.441 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.5 | -30.7 | 178.6 | 73.1 | 0 | 0 | 0 | 0 | 113.2 | Q164 N165 S172 | Q164-S168 PolarHBondContact O-N 3.42Å; N165-S168 PolarHBondContact O-N 3.27Å; N165-S168 PolarHBondContact O-OG 3.36Å; S168-S172 VanDerWaalsContact O-CB 3.3Å; S168-S172 WeakPolarHBondContact O-CB 3.29Å; S168-S172 PolarHBondContact O-N 2.97Å; S168-S172 PolarHBondContact O-OG 3.49Å |
| 169 | L | 74.4 | Confident | 69.4 | Low | 56 Ų | 56 | 62.2 Ų | 62.2 | 29% | 0.293 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -70.9 | -37.1 | 174.6 | -154.2 | 161.7 | 0 | 0 | 0 | 110.8 | N165 T166 C167 S172 W173 F195 V198 | N165-L169 WeakPolarHBondContact O-CB 3.06Å; N165-L169 PolarHBondContact O-N 2.65Å; T166-L169 PolarHBondContact O-N 3.13Å; C167-L169 VanDerWaalsContact C-N 3.25Å; C167-L169 PolarHBondContact O-N 3.2Å; L169-S172 PolarHBondContact O-OG 2.94Å; L169-W173 WeakPolarHBondContact O-CB 3.37Å; L169-W173 PolarHBondContact O-N 2.76Å; L169-F195 HydrophobicContact CD2-CD2 4.33Å; L169-F195 HydrophobicContact CD2-CE2 3.93Å; L169-V198 HydrophobicContact CD1-CG1 4.43Å |
| 170 | I | 71.2 | Confident | 66.8 | Low | 25 Ų | 25 | 71 Ų | 71 | 13% | 0.128 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.4 | -45.5 | 173.4 | -62.9 | 158.7 | 0 | 0 | 0 | 111.2 | T166 C167 W173 G174 F195 L249 L252 | T166-I170 HydrophobicContact CG2-CD1 4.19Å; T166-I170 WeakPolarHBondContact O-CD1 3.33Å; T166-I170 VanDerWaalsContact O-CG1 3.3Å; T166-I170 WeakPolarHBondContact O-CG1 3.46Å; T166-I170 PolarHBondContact O-N 3.2Å; T166-I170 VanDerWaalsContact O-N 3.09Å; C167-I170 WeakPolarHBondContact O-CB 3.33Å; C167-I170 PolarHBondContact O-N 2.88Å; C167-I170 VanDerWaalsContact O-N 3.07Å; I170-W173 PolarHBondContact O-N 3.48Å; I170-G174 PolarHBondContact O-N 3.14Å; I170-F195 HydrophobicContact CG1-CZ 4.42Å; I170-L249 HydrophobicContact CD1-CD2 3.69Å; I170-L252 HydrophobicContact CD1-CD1 3.54Å; I170-L252 HydrophobicContact CD1-CG 4.07Å; I170-L252 HydrophobicContact CG1-CD1 4.04Å; I170-L252 HydrophobicContact CG1-CG 4.33Å |
| 171 | E | 72 | Confident | 64.2 | Low | 124 Ų | 124 | 76 Ų | 76 | 58% | 0.579 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.4 | -46.9 | -178.1 | -72.4 | 172.6 | -176.6 | 0 | 0 | 112.4 | C167 W173 G174 H175 | C167-E171 WeakPolarHBondContact O-CG 2.91Å; C167-E171 PolarHBondContact O-N 3Å; E171-W173 VanDerWaalsContact C-N 3.34Å; E171-W173 PolarHBondContact O-N 3.39Å; E171-G174 PolarHBondContact O-N 2.87Å; E171-H175 PolarHBondContact O-N 3.26Å; E171-H175 VanDerWaalsContact O-N 3.16Å |
| 172 | S | 69.6 | Low | 61.7 | Low | 57 Ų | 57 | 77.8 Ų | 77.8 | 40% | 0.399 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 177.5 | 53.1 | 0 | 0 | 0 | 0 | 112.3 | S168 L169 S176 | S168-S172 VanDerWaalsContact O-CB 3.3Å; S168-S172 WeakPolarHBondContact O-CB 3.29Å; S168-S172 PolarHBondContact O-N 2.97Å; S168-S172 PolarHBondContact O-OG 3.49Å; L169-S172 PolarHBondContact O-OG 2.94Å; S172-S176 WeakPolarHBondContact O-CB 3.48Å; S172-S176 PolarHBondContact O-N 3.2Å; S172-S176 PolarHBondContact O-OG 3.46Å |
| 173 | W | 63.6 | Low | 59.4 | Low | 122 Ų | 122 | 84.2 Ų | 84.2 | 46% | 0.462 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.4 | -37 | 175.6 | -79 | 62.4 | 0 | 0 | 0 | 112.7 | L169 I170 E171 H175 S176 F195 | L169-W173 WeakPolarHBondContact O-CB 3.37Å; L169-W173 PolarHBondContact O-N 2.76Å; I170-W173 PolarHBondContact O-N 3.48Å; E171-W173 VanDerWaalsContact C-N 3.34Å; E171-W173 PolarHBondContact O-N 3.39Å; W173-H175 VanDerWaalsContact C-N 3.27Å; W173-H175 PolarHBondContact O-N 2.87Å; W173-S176 PolarHBondContact O-N 2.94Å; W173-S176 VanDerWaalsContact O-N 3.16Å; W173-F195 HydrophobicContact CB-CD2 4.19Å; W173-F195 HydrophobicContact CB-CE2 3.75Å; W173-F195 HydrophobicContact CB-CZ 4.37Å; W173-F195 AromaticContact CD2-CD2 3.42Å; W173-F195 HydrophobicContact CD2-CD2 3.42Å; W173-F195 VanDerWaalsContact CD2-CD2 3.42Å; W173-F195 AromaticContact CD2-CE2 3.88Å; W173-F195 HydrophobicContact CD2-CE2 3.88Å; W173-F195 HydrophobicContact CD2-CG 4.28Å; W173-F195 AromaticContact CE2-CD2 3.97Å; W173-F195 HydrophobicContact CE3-CB 3.86Å; W173-F195 AromaticContact CE3-CD2 3.44Å; W173-F195 HydrophobicContact CE3-CD2 3.44Å; W173-F195 VanDerWaalsContact CE3-CD2 3.44Å; W173-F195 HydrophobicContact CE3-CE2 4.22Å; W173-F195 AromaticContact CE3-CG 3.83Å; W173-F195 HydrophobicContact CE3-CG 3.83Å; W173-F195 AromaticContact CG-CD2 3.77Å; W173-F195 HydrophobicContact CG-CD2 3.77Å; W173-F195 AromaticContact CG-CE2 3.68Å; W173-F195 HydrophobicContact CG-CE2 3.68Å; W173-F195 HydrophobicContact CH2-CB 4.23Å; W173-F195 HydrophobicContact CH2-CD2 4.48Å; W173-F195 HydrophobicContact CZ2-CD2 4.47Å; W173-F195 HydrophobicContact CZ3-CB 3.65Å; W173-F195 HydrophobicContact CZ3-CD2 4.01Å; W173-F195 HydrophobicContact CZ3-CG 4.15Å |
| 174 | G | 57.5 | Low | 56.9 | Low | 49 Ų | 49 | 95.1 Ų | 95.1 | 51% | 0.505 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -56.6 | -39.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I170 E171 S177 | I170-G174 PolarHBondContact O-N 3.14Å; E171-G174 PolarHBondContact O-N 2.87Å; G174-S177 PolarHBondContact O-OG 3.25Å; G174-S177 VanDerWaalsContact O-OG 3.13Å |
| 175 | H | 54.8 | Low | 54.4 | Low | 152 Ų | 152 | 97 Ų | 97 | 70% | 0.704 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -82.3 | -26.2 | 176 | -62.9 | -23.8 | 0 | 0 | 0 | 114.1 | E171 W173 S177 S178 | E171-H175 PolarHBondContact O-N 3.26Å; E171-H175 VanDerWaalsContact O-N 3.16Å; W173-H175 VanDerWaalsContact C-N 3.27Å; W173-H175 PolarHBondContact O-N 2.87Å; H175-S177 PolarHBondContact O-N 3.48Å; H175-S178 PolarHBondContact O-OG 3.08Å |
| 176 | S | 46.9 | Very low | 52.2 | Low | 54 Ų | 54 | 99.8 Ų | 99.8 | 38% | 0.378 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.4 | -13 | -176.4 | -66.4 | 0 | 0 | 0 | 0 | 114.8 | S172 W173 S178 G179 | S172-S176 WeakPolarHBondContact O-CB 3.48Å; S172-S176 PolarHBondContact O-N 3.2Å; S172-S176 PolarHBondContact O-OG 3.46Å; W173-S176 PolarHBondContact O-N 2.94Å; W173-S176 VanDerWaalsContact O-N 3.16Å; S176-S178 PolarHBondContact O-N 2.92Å; S176-G179 PolarHBondContact O-N 3.33Å |
| 177 | S | 45.7 | Very low | 50.2 | Low | 110 Ų | 110 | 104.5 Ų | 104.5 | 77% | 0.769 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -2.4 | 175.9 | 58.6 | 0 | 0 | 0 | 0 | 115.8 | G174 H175 | G174-S177 PolarHBondContact O-OG 3.25Å; G174-S177 VanDerWaalsContact O-OG 3.13Å; H175-S177 PolarHBondContact O-N 3.48Å |
| 178 | S | 39.8 | Very low | 48.1 | Very low | 114 Ų | 114 | 106.4 Ų | 106.4 | 80% | 0.797 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.5 | -3.9 | 179.9 | 63 | 0 | 0 | 0 | 0 | 115.8 | H175 S176 | H175-S178 PolarHBondContact O-OG 3.08Å; S176-S178 PolarHBondContact O-N 2.92Å |
| 179 | G | 32.8 | Very low | 46.2 | Very low | 51 Ų | 51 | 107.9 Ų | 107.9 | 53% | 0.526 | 63% | 0.63 | S | S | . | * | trans | 174.5 | 87.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | S176 | S176-G179 PolarHBondContact O-N 3.33Š| ||
| 180 | F | 33.3 | Very low | 44.9 | Very low | 184 Ų | 184 | 109.4 Ų | 109.4 | 81% | 0.807 | 64% | 0.638 | S | S | * | * | trans | -138.1 | 47.2 | 155.9 | -119.3 | -77 | 0 | 0 | 0 | 113.5 | S182 | F180-S182 PolarHBondContact O-N 3.45Š| ||
| 181 | V | 33.4 | Very low | 43.7 | Very low | 143 Ų | 143 | 115.8 Ų | 115.8 | 87% | 0.867 | 67% | 0.667 | S | S | * | * | trans | -84.8 | 91.3 | 173.1 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 182 | S | 33.5 | Very low | 42.6 | Very low | 100 Ų | 100 | 114.5 Ų | 114.5 | 70% | 0.699 | 67% | 0.672 | S | S | * | * | trans | -158.9 | 119.1 | 160.1 | -87.4 | 0 | 0 | 0 | 0 | 113.3 | F180 | F180-S182 PolarHBondContact O-N 3.45Š| ||
| 183 | N | 32.8 | Very low | 41.8 | Very low | 152 Ų | 152 | 115.1 Ų | 115.1 | 81% | 0.813 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 63.3 | 64 | 161.4 | -65.1 | -22.1 | 0 | 0 | 0 | 118.8 | ||
| 184 | R | 33.2 | Very low | 41.6 | Very low | 233 Ų | 233 | 112.4 Ų | 112.4 | 88% | 0.879 | 67% | 0.669 | S | S | * | * | -162.7 | 140.3 | 100.6 | -102.4 | 162 | -177.8 | 171.4 | 1.7 | 111.8 | |||||
| 185 | N | 31.8 | Very low | 42 | Very low | 149 Ų | 149 | 112 Ų | 112 | 80% | 0.797 | 65% | 0.653 | S | S | * | * | trans | -82.4 | 159.4 | 179 | -64.6 | -14.3 | 0 | 0 | 0 | 111 | ||||
| 186 | T | 34.6 | Very low | 42.5 | Very low | 138 Ų | 138 | 106 Ų | 106 | 85% | 0.847 | 63% | 0.632 | S | S | * | * | trans | 68.6 | 71.9 | 171.1 | 72.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 187 | V | 36.6 | Very low | 43.4 | Very low | 102 Ų | 102 | 106.9 Ų | 106.9 | 62% | 0.618 | 64% | 0.635 | S | S | * | * | -143.1 | 158.4 | 122.7 | 175 | 0 | 0 | 0 | 0 | 106.6 | D190 | V187-D190 HydrophobicContact CG1-CB 4.14Å; V187-D190 WeakPolarHBondContact CG1-OD2 3.03Å | |||
| 188 | G | 33.5 | Very low | 44.6 | Very low | 57 Ų | 57 | 103.1 Ų | 103.1 | 59% | 0.588 | 61% | 0.608 | S | S | * | * | trans | -133 | 161.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D190 | G188-D190 PolarHBondContact O-N 2.91Š| ||
| 189 | A | 39.8 | Very low | 46.1 | Very low | 93 Ų | 93 | 98 Ų | 98 | 77% | 0.769 | 57% | 0.572 | S | S | * | * | S | Bend | trans | 64.4 | -38.1 | -180 | 0 | 0 | 0 | 0 | 0 | 117.9 | E191 S192 | A189-E191 PolarHBondContact O-N 3.17Å; A189-S192 PolarHBondContact O-OG 2.66Å; A189-S192 VanDerWaalsContact O-OG 3.1Å |
| 190 | D | 46.8 | Very low | 47.8 | Very low | 88 Ų | 88 | 97 Ų | 97 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.3 | -24.3 | -167.2 | -68.7 | -33.2 | 0 | 0 | 0 | 115.9 | V187 G188 S192 S193 Q194 | V187-D190 HydrophobicContact CG1-CB 4.14Å; V187-D190 WeakPolarHBondContact CG1-OD2 3.03Å; G188-D190 PolarHBondContact O-N 2.91Å; D190-S192 PolarHBondContact O-N 3.2Å; D190-S192 VanDerWaalsContact O-N 3.14Å; D190-S193 PolarHBondContact O-N 3.46Å; D190-S193 VanDerWaalsContact O-N 3.14Å; D190-S193 PolarHBondContact O-OG 3.42Å; D190-Q194 PolarHBondContact O-N 3.14Å |
| 191 | E | 46.9 | Very low | 49.8 | Very low | 159 Ų | 159 | 89.3 Ų | 89.3 | 74% | 0.743 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.3 | -30.4 | -175.6 | -62.5 | -176.9 | 151.7 | 0 | 0 | 113.1 | A189 F195 | A189-E191 PolarHBondContact O-N 3.17Å; E191-F195 PolarHBondContact O-N 2.96Å |
| 192 | S | 48.3 | Very low | 52 | Low | 98 Ų | 98 | 84.4 Ų | 84.4 | 69% | 0.685 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71.9 | -30.9 | 179.7 | 66 | 0 | 0 | 0 | 0 | 113.8 | A189 D190 | A189-S192 PolarHBondContact O-OG 2.66Å; A189-S192 VanDerWaalsContact O-OG 3.1Å; D190-S192 PolarHBondContact O-N 3.2Å; D190-S192 VanDerWaalsContact O-N 3.14Å |
| 193 | S | 52.5 | Low | 54.1 | Low | 69 Ų | 69 | 79.6 Ų | 79.6 | 48% | 0.483 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -78.6 | -36.9 | 176.3 | 68.3 | 0 | 0 | 0 | 0 | 111 | D190 F195 G196 V197 | D190-S193 PolarHBondContact O-N 3.46Å; D190-S193 VanDerWaalsContact O-N 3.14Å; D190-S193 PolarHBondContact O-OG 3.42Å; S193-F195 PolarHBondContact O-N 3.41Å; S193-G196 PolarHBondContact O-N 3.28Å; S193-V197 PolarHBondContact O-N 3.47Å |
| 194 | Q | 59.9 | Low | 56.1 | Low | 65 Ų | 65 | 73.2 Ų | 73.2 | 30% | 0.304 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 177.2 | -65.6 | -153.9 | 15.1 | 0 | 0 | 112.8 | E104 D190 G196 V197 V198 | E104-Q194 PolarHBondContact OE1-NE2 3.37Å; E104-Q194 PolarHBondContact OE1-OE1 3.19Å; D190-Q194 PolarHBondContact O-N 3.14Å; Q194-G196 VanDerWaalsContact C-N 3.31Å; Q194-G196 PolarHBondContact O-N 2.7Å; Q194-V197 PolarHBondContact O-N 3.03Å; Q194-V198 VanDerWaalsContact O-CG2 3.31Å; Q194-V198 WeakPolarHBondContact O-CG2 3.28Å; Q194-V198 PolarHBondContact O-N 2.89Å |
| 195 | F | 65 | Low | 58.4 | Low | 41 Ų | 41 | 62.2 Ų | 62.2 | 18% | 0.18 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.2 | -44.2 | 176.6 | 179.8 | -102.3 | 0 | 0 | 0 | 112.3 | L169 I170 W173 E191 S193 V197 V198 A199 L252 | L169-F195 HydrophobicContact CD2-CD2 4.33Å; L169-F195 HydrophobicContact CD2-CE2 3.93Å; I170-F195 HydrophobicContact CG1-CZ 4.42Å; W173-F195 HydrophobicContact CB-CD2 4.19Å; W173-F195 HydrophobicContact CB-CE2 3.75Å; W173-F195 HydrophobicContact CB-CZ 4.37Å; W173-F195 AromaticContact CD2-CD2 3.42Å; W173-F195 HydrophobicContact CD2-CD2 3.42Å; W173-F195 VanDerWaalsContact CD2-CD2 3.42Å; W173-F195 AromaticContact CD2-CE2 3.88Å; W173-F195 HydrophobicContact CD2-CE2 3.88Å; W173-F195 HydrophobicContact CD2-CG 4.28Å; W173-F195 AromaticContact CE2-CD2 3.97Å; W173-F195 HydrophobicContact CE3-CB 3.86Å; W173-F195 AromaticContact CE3-CD2 3.44Å; W173-F195 HydrophobicContact CE3-CD2 3.44Å; W173-F195 VanDerWaalsContact CE3-CD2 3.44Å; W173-F195 HydrophobicContact CE3-CE2 4.22Å; W173-F195 AromaticContact CE3-CG 3.83Å; W173-F195 HydrophobicContact CE3-CG 3.83Å; W173-F195 AromaticContact CG-CD2 3.77Å; W173-F195 HydrophobicContact CG-CD2 3.77Å; W173-F195 AromaticContact CG-CE2 3.68Å; W173-F195 HydrophobicContact CG-CE2 3.68Å; W173-F195 HydrophobicContact CH2-CB 4.23Å; W173-F195 HydrophobicContact CH2-CD2 4.48Å; W173-F195 HydrophobicContact CZ2-CD2 4.47Å; W173-F195 HydrophobicContact CZ3-CB 3.65Å; W173-F195 HydrophobicContact CZ3-CD2 4.01Å; W173-F195 HydrophobicContact CZ3-CG 4.15Å; E191-F195 PolarHBondContact O-N 2.96Å; S193-F195 PolarHBondContact O-N 3.41Å; F195-V197 VanDerWaalsContact C-N 3.3Å; F195-V197 PolarHBondContact O-N 3.22Å; F195-V198 PolarHBondContact O-N 2.74Å; F195-A199 VanDerWaalsContact O-CB 3.23Å; F195-A199 WeakPolarHBondContact O-CB 3.44Å; F195-A199 PolarHBondContact O-N 3Å; F195-L252 HydrophobicContact CE1-CD2 3.74Å; F195-L252 HydrophobicContact CZ-CD2 4.11Å |
| 196 | G | 64.7 | Low | 61 | Low | 25 Ų | 25 | 55.1 Ų | 55.1 | 26% | 0.258 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S193 Q194 A200 | S193-G196 PolarHBondContact O-N 3.28Å; Q194-G196 VanDerWaalsContact C-N 3.31Å; Q194-G196 PolarHBondContact O-N 2.7Å; G196-A200 WeakPolarHBondContact O-CB 3.42Å; G196-A200 PolarHBondContact O-N 2.83Å |
| 197 | V | 66.4 | Low | 63.2 | Low | 73 Ų | 73 | 48.9 Ų | 48.9 | 44% | 0.442 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.5 | -47.8 | 177.5 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | W111 S193 Q194 F195 A199 A200 Q201 | W111-V197 HydrophobicContact CH2-CG1 4.08Å; W111-V197 HydrophobicContact CZ3-CG1 3.71Å; S193-V197 PolarHBondContact O-N 3.47Å; Q194-V197 PolarHBondContact O-N 3.03Å; F195-V197 VanDerWaalsContact C-N 3.3Å; F195-V197 PolarHBondContact O-N 3.22Å; V197-A199 PolarHBondContact O-N 3.19Å; V197-A200 PolarHBondContact O-N 3.44Å; V197-Q201 PolarHBondContact O-N 3.46Å |
| 198 | V | 72 | Confident | 65.3 | Low | 32 Ų | 32 | 44.3 Ų | 44.3 | 19% | 0.194 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61 | -45.1 | 178.6 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | W111 L169 Q194 F195 Q201 K202 | W111-V198 HydrophobicContact CH2-CG2 3.81Å; W111-V198 HydrophobicContact CZ2-CB 4.47Å; W111-V198 HydrophobicContact CZ2-CG2 3.88Å; L169-V198 HydrophobicContact CD1-CG1 4.43Å; Q194-V198 VanDerWaalsContact O-CG2 3.31Å; Q194-V198 WeakPolarHBondContact O-CG2 3.28Å; Q194-V198 PolarHBondContact O-N 2.89Å; F195-V198 PolarHBondContact O-N 2.74Å; V198-Q201 PolarHBondContact O-N 2.72Å; V198-K202 PolarHBondContact O-N 3.47Å |
| 199 | A | 70.1 | Confident | 67.8 | Low | 6 Ų | 6 | 41.7 Ų | 41.7 | 5% | 0.05 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | F195 V197 Q201 K202 L203 L252 | F195-A199 VanDerWaalsContact O-CB 3.23Å; F195-A199 WeakPolarHBondContact O-CB 3.44Å; F195-A199 PolarHBondContact O-N 3Å; V197-A199 PolarHBondContact O-N 3.19Å; A199-Q201 VanDerWaalsContact C-N 3.34Å; A199-Q201 PolarHBondContact O-N 2.97Å; A199-K202 PolarHBondContact O-N 3.23Å; A199-L203 WeakPolarHBondContact O-CB 3.26Å; A199-L203 VanDerWaalsContact O-CG 3.25Å; A199-L203 WeakPolarHBondContact O-CG 3.45Å; A199-L203 PolarHBondContact O-N 3.27Å; A199-L252 HydrophobicContact CB-CD1 4.43Å |
| 200 | A | 68.3 | Low | 70.1 | Confident | 29 Ų | 29 | 37.3 Ų | 37.3 | 24% | 0.24 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G196 V197 L203 K204 | G196-A200 WeakPolarHBondContact O-CB 3.42Å; G196-A200 PolarHBondContact O-N 2.83Å; V197-A200 PolarHBondContact O-N 3.44Å; A200-L203 PolarHBondContact O-N 3.36Å; A200-K204 WeakPolarHBondContact O-CB 3.49Å; A200-K204 PolarHBondContact O-N 3.02Å |
| 201 | Q | 76.1 | Confident | 71.8 | Confident | 23 Ų | 23 | 33.6 Ų | 33.6 | 11% | 0.107 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.7 | -43.3 | 175.6 | 173.2 | 60.2 | 20.9 | 0 | 0 | 112.2 | W111 V197 V198 A199 K204 E205 | W111-Q201 HydrophobicContact CB-CG 3.92Å; W111-Q201 HydrophobicContact CD2-CB 4.26Å; W111-Q201 HydrophobicContact CD2-CG 3.67Å; W111-Q201 HydrophobicContact CE3-CB 4.31Å; W111-Q201 HydrophobicContact CE3-CG 4.12Å; W111-Q201 HydrophobicContact CG-CG 3.59Å; W111-Q201 PolarHBondContact O-NE2 3.35Å; V197-Q201 PolarHBondContact O-N 3.46Å; V198-Q201 PolarHBondContact O-N 2.72Å; A199-Q201 VanDerWaalsContact C-N 3.34Å; A199-Q201 PolarHBondContact O-N 2.97Å; Q201-K204 WeakPolarHBondContact O-CA 3.25Å; Q201-K204 WeakPolarHBondContact O-CB 3.43Å; Q201-K204 PolarHBondContact O-N 3.1Å; Q201-K204 VanDerWaalsContact O-N 3.09Å; Q201-E205 PolarHBondContact NE2-OE1 2.98Å; Q201-E205 PolarHBondContact O-N 3.26Å |
| 202 | K | 79.9 | Confident | 73.7 | Confident | 40 Ų | 40 | 26 Ų | 26 | 17% | 0.174 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.4 | -38.6 | 177.5 | -83.6 | -72.1 | 170.2 | -163.3 | 0 | 112.5 | T166 V198 A199 K204 E205 L206 | T166-K202 HydrophobicContact CG2-CB 4.11Å; V198-K202 PolarHBondContact O-N 3.47Å; A199-K202 PolarHBondContact O-N 3.23Å; K202-K204 VanDerWaalsContact C-N 3.3Å; K202-K204 PolarHBondContact O-N 2.82Å; K202-E205 IonicContact NZ-OE2 3.88Å; K202-E205 PolarHBondContact NZ-OE2 3Å; K202-E205 PolarHBondContact O-N 3.2Å; K202-L206 WeakPolarHBondContact O-CG 3.32Å; K202-L206 PolarHBondContact O-N 2.61Å; K202-L206 VanDerWaalsContact O-N 3.1Å |
| 203 | L | 77.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.3 | -37.9 | 169.5 | -66.5 | 169 | 0 | 0 | 0 | 111.8 | A199 A200 L206 V207 L249 L252 N255 L258 V259 I262 | A199-L203 WeakPolarHBondContact O-CB 3.26Å; A199-L203 VanDerWaalsContact O-CG 3.25Å; A199-L203 WeakPolarHBondContact O-CG 3.45Å; A199-L203 PolarHBondContact O-N 3.27Å; A200-L203 PolarHBondContact O-N 3.36Å; L203-L206 WeakPolarHBondContact O-CB 3.39Å; L203-L206 PolarHBondContact O-N 2.7Å; L203-V207 WeakPolarHBondContact O-CG2 3.43Å; L203-V207 PolarHBondContact O-N 2.8Å; L203-L249 HydrophobicContact CD2-CD1 3.9Å; L203-L249 HydrophobicContact CD2-CD2 4.48Å; L203-L252 HydrophobicContact CD1-CD1 4.16Å; L203-N255 HydrophobicContact CD1-CB 3.79Å; L203-L258 HydrophobicContact CB-CB 4.18Å; L203-L258 HydrophobicContact CB-CD1 4.1Å; L203-L258 HydrophobicContact CD1-CB 4.35Å; L203-V259 HydrophobicContact CD1-CG2 4.1Å; L203-V259 HydrophobicContact CD2-CG2 4.07Å; L203-I262 HydrophobicContact CB-CD1 4.27Å; L203-I262 HydrophobicContact CD2-CD1 3.6Å |
| 204 | K | 74.9 | Confident | 77.3 | Confident | 18 Ų | 18 | 18 Ų | 18 | 8% | 0.078 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.3 | -40 | 176.4 | -170.1 | 174.5 | 179 | 175.3 | 0 | 113.2 | L115 A200 Q201 K202 L206 V207 E208 E1135 Y1136 | L115-K204 HydrophobicContact CD1-CD 3.92Å; L115-K204 HydrophobicContact CD1-CG 4.36Å; L115-K204 HydrophobicContact CD2-CD 4.47Å; L115-K204 HydrophobicContact CD2-CG 4.03Å; A200-K204 WeakPolarHBondContact O-CB 3.49Å; A200-K204 PolarHBondContact O-N 3.02Å; Q201-K204 WeakPolarHBondContact O-CA 3.25Å; Q201-K204 WeakPolarHBondContact O-CB 3.43Å; Q201-K204 PolarHBondContact O-N 3.1Å; Q201-K204 VanDerWaalsContact O-N 3.09Å; K202-K204 VanDerWaalsContact C-N 3.3Å; K202-K204 PolarHBondContact O-N 2.82Å; K204-L206 VanDerWaalsContact C-N 3.3Å; K204-L206 PolarHBondContact O-N 2.65Å; K204-V207 PolarHBondContact O-N 3.16Å; K204-E208 PolarHBondContact O-N 3.35Å; K204-E208 VanDerWaalsContact O-N 3.09Å; K204-E1135 WeakPolarHBondContact CE-O 3.3Å; K204-E1135 PolarHBondContact NZ-O 3.03Å; K204-Y1136 HydrophobicContact CD-CD1 3.95Å; K204-Y1136 HydrophobicContact CD-CE1 3.8Å; K204-Y1136 VanDerWaalsContact NZ-CD1 3.32Å; K204-Y1136 VanDerWaalsContact NZ-CG 3.31Å |
| 205 | E | 81.1 | Confident | 78.5 | Confident | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.1 | -41.2 | 171.4 | -70.7 | -176.6 | 180 | 0 | 0 | 111.5 | R114 L115 I118 Q201 K202 E208 L209 | R114-E205 IonicContact CZ-OE1 3.21Å; R114-E205 IonicContact CZ-OE2 3.68Å; R114-E205 IonicContact NE-OE1 3.8Å; R114-E205 PolarHBondContact NE-OE1 3.35Å; R114-E205 IonicContact NE-OE2 3.69Å; R114-E205 PolarHBondContact NE-OE2 3.09Å; R114-E205 IonicContact NH2-OE1 2.77Å; R114-E205 IonicContact NH2-OE2 2.74Å; R114-E205 PolarHBondContact NH2-OE2 3.27Å; L115-E205 HydrophobicContact CD2-CG 3.98Å; I118-E205 HydrophobicContact CD1-CB 4.48Å; Q201-E205 PolarHBondContact NE2-OE1 2.98Å; Q201-E205 PolarHBondContact O-N 3.26Å; K202-E205 IonicContact NZ-OE2 3.88Å; K202-E205 PolarHBondContact NZ-OE2 3Å; K202-E205 PolarHBondContact O-N 3.2Å; E205-E208 PolarHBondContact O-N 3.43Å; E205-L209 WeakPolarHBondContact O-CB 3.49Å; E205-L209 PolarHBondContact O-N 2.93Å |
| 206 | L | 85.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66 | -36.4 | 176.4 | -70.1 | 171.9 | 0 | 0 | 0 | 113 | Y159 Q162 Y163 T166 K202 L203 K204 L210 I262 | Y159-L206 HydrophobicContact CD2-CD2 3.67Å; Y159-L206 HydrophobicContact CE2-CB 3.99Å; Y159-L206 HydrophobicContact CE2-CD2 3.55Å; Y159-L206 HydrophobicContact CE2-CG 4.33Å; Q162-L206 HydrophobicContact CB-CD2 3.84Å; Y163-L206 HydrophobicContact CD2-CD1 4.41Å; T166-L206 HydrophobicContact CG2-CD1 4.41Å; K202-L206 WeakPolarHBondContact O-CG 3.32Å; K202-L206 PolarHBondContact O-N 2.61Å; K202-L206 VanDerWaalsContact O-N 3.1Å; L203-L206 WeakPolarHBondContact O-CB 3.39Å; L203-L206 PolarHBondContact O-N 2.7Å; K204-L206 VanDerWaalsContact C-N 3.3Å; K204-L206 PolarHBondContact O-N 2.65Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.26Å; L206-L210 PolarHBondContact O-N 2.51Å; L206-L210 VanDerWaalsContact O-N 3.11Å; L206-I262 HydrophobicContact CB-CD1 3.94Å; L206-I262 HydrophobicContact CD1-CD1 4.39Å |
| 207 | V | 81.8 | Confident | 80.4 | Confident | 7 Ų | 7 | 12.2 Ų | 12.2 | 4% | 0.042 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.6 | -50 | 174.1 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | L203 K204 L209 L210 E211 Q261 I262 | L203-V207 WeakPolarHBondContact O-CG2 3.43Å; L203-V207 PolarHBondContact O-N 2.8Å; K204-V207 PolarHBondContact O-N 3.16Å; V207-L209 VanDerWaalsContact C-N 3.32Å; V207-L209 PolarHBondContact O-N 3.46Å; V207-L210 PolarHBondContact O-N 3.4Å; V207-L210 VanDerWaalsContact O-N 3.08Å; V207-E211 HydrophobicContact CG1-CG 4.47Å; V207-E211 WeakPolarHBondContact O-CG 3.17Å; V207-E211 PolarHBondContact O-N 3.28Å; V207-Q261 HydrophobicContact CG1-CG 4.38Å; V207-Q261 HydrophobicContact CG2-CG 4.32Å; V207-I262 HydrophobicContact CG2-CD1 4.31Å; V207-I262 HydrophobicContact CG2-CG1 3.67Å |
| 208 | E | 80.2 | Confident | 81.2 | Confident | 6 Ų | 6 | 9 Ų | 9 | 3% | 0.028 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.7 | -34.6 | -178.8 | -70.2 | -93.5 | -167.6 | 0 | 0 | 112.6 | L115 I118 R119 K122 K204 E205 E211 L212 | L115-E208 HydrophobicContact CD2-CG 4.04Å; I118-E208 HydrophobicContact CG2-CB 3.8Å; R119-E208 VanDerWaalsContact CG-OE2 3.31Å; R119-E208 WeakPolarHBondContact CG-OE2 3.34Å; R119-E208 IonicContact CZ-OE1 2.74Å; R119-E208 IonicContact NE-OE1 3.89Å; R119-E208 PolarHBondContact NE-OE1 3.3Å; R119-E208 IonicContact NE-OE2 3.67Å; R119-E208 IonicContact NH2-OE1 3.89Å; R119-E208 PolarHBondContact NH2-OE1 3.29Å; K122-E208 IonicContact NZ-OE2 2.71Å; K122-E208 PolarHBondContact NZ-OE2 2.9Å; K204-E208 PolarHBondContact O-N 3.35Å; K204-E208 VanDerWaalsContact O-N 3.09Å; E205-E208 PolarHBondContact O-N 3.43Å; E208-E211 PolarHBondContact O-N 2.97Å; E208-L212 PolarHBondContact O-N 3.48Å |
| 209 | L | 86.5 | Confident | 81.5 | Confident | 3 Ų | 3 | 7.9 Ų | 7.9 | 2% | 0.016 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 170.1 | -90.9 | 159.8 | 0 | 0 | 0 | 112 | F37 I118 A155 E158 Y159 Q162 E205 V207 L212 I213 | F37-L209 HydrophobicContact CD1-CD2 4.27Å; F37-L209 HydrophobicContact CE1-CD2 3.64Å; F37-L209 HydrophobicContact CZ-CD2 4.1Å; I118-L209 HydrophobicContact CD1-CG 4.31Å; I118-L209 HydrophobicContact CG2-CG 4.43Å; A155-L209 HydrophobicContact CB-CD2 4.38Å; E158-L209 HydrophobicContact CG-CD1 4.45Å; E158-L209 HydrophobicContact CG-CD2 4.5Å; Y159-L209 HydrophobicContact CD2-CB 4.09Å; Q162-L209 HydrophobicContact CG-CD1 4.43Å; E205-L209 WeakPolarHBondContact O-CB 3.49Å; E205-L209 PolarHBondContact O-N 2.93Å; V207-L209 VanDerWaalsContact C-N 3.32Å; V207-L209 PolarHBondContact O-N 3.46Å; L209-L212 PolarHBondContact O-N 3.3Å; L209-I213 WeakPolarHBondContact O-CD1 3.36Å; L209-I213 VanDerWaalsContact O-CG1 3.26Å; L209-I213 WeakPolarHBondContact O-CG1 3.48Å; L209-I213 PolarHBondContact O-N 3.1Å |
| 210 | L | 87.1 | Confident | 82 | Confident | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -67.1 | -37.4 | 175.8 | -72.3 | 168.3 | 0 | 0 | 0 | 112.2 | Y159 L206 V207 I213 L214 F240 I262 T265 Q266 I269 | Y159-L210 HydrophobicContact CD1-CD2 4.45Å; Y159-L210 HydrophobicContact CD2-CD2 4.12Å; Y159-L210 HydrophobicContact CD2-CG 3.95Å; Y159-L210 HydrophobicContact CE1-CD2 4.11Å; Y159-L210 HydrophobicContact CE2-CD1 3.68Å; Y159-L210 HydrophobicContact CE2-CD2 3.75Å; Y159-L210 HydrophobicContact CE2-CG 3.46Å; Y159-L210 VanDerWaalsContact CE2-CG 3.46Å; Y159-L210 HydrophobicContact CG-CD2 4.47Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.26Å; L206-L210 PolarHBondContact O-N 2.51Å; L206-L210 VanDerWaalsContact O-N 3.11Å; V207-L210 PolarHBondContact O-N 3.4Å; V207-L210 VanDerWaalsContact O-N 3.08Å; L210-I213 PolarHBondContact O-N 3.48Å; L210-L214 WeakPolarHBondContact O-CB 3.3Å; L210-L214 PolarHBondContact O-N 3.23Å; L210-F240 HydrophobicContact CD2-CE1 3.96Å; L210-F240 HydrophobicContact CD2-CZ 3.87Å; L210-I262 HydrophobicContact CD1-CB 4.26Å; L210-I262 HydrophobicContact CD1-CG1 4.28Å; L210-I262 HydrophobicContact CD1-CG2 3.94Å; L210-T265 HydrophobicContact CB-CG2 3.76Å; L210-Q266 HydrophobicContact CD1-CG 4.13Å; L210-Q266 HydrophobicContact CD2-CG 3.98Å; L210-I269 HydrophobicContact CB-CD1 4.03Å; L210-I269 HydrophobicContact CD2-CD1 3.52Å; L210-I269 HydrophobicContact CG-CD1 4.38Å; L210-I269 WeakPolarHBondContact O-CD1 3.38Å |
| 211 | E | 83.9 | Confident | 82.3 | Confident | 10 Ų | 10 | 9.1 Ų | 9.1 | 5% | 0.047 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63.5 | -40 | 174.1 | -70 | -177.1 | -174 | 0 | 0 | 112.3 | K122 V207 E208 L214 L215 V449 | K122-E211 HydrophobicContact CD-CB 3.87Å; K122-E211 IonicContact NZ-OE2 3.35Å; K122-E211 PolarHBondContact NZ-OE2 3.33Å; V207-E211 HydrophobicContact CG1-CG 4.47Å; V207-E211 WeakPolarHBondContact O-CG 3.17Å; V207-E211 PolarHBondContact O-N 3.28Å; E208-E211 PolarHBondContact O-N 2.97Å; E211-L214 PolarHBondContact O-N 3.35Å; E211-L215 WeakPolarHBondContact O-CB 3.12Å; E211-L215 VanDerWaalsContact O-CG 3.28Å; E211-L215 WeakPolarHBondContact O-CG 3.46Å; E211-L215 PolarHBondContact O-N 3.13Å; E211-V449 HydrophobicContact CB-CG2 4.01Å; E211-V449 HydrophobicContact CG-CG1 3.84Å; E211-V449 HydrophobicContact CG-CG2 4.03Å |
| 212 | L | 86.8 | Confident | 82 | Confident | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -60.5 | -47.5 | 172.1 | -178.7 | 166.2 | 0 | 0 | 0 | 111.3 | F37 I118 L121 K122 A155 E208 L209 L214 L215 G216 | F37-L212 HydrophobicContact CE1-CD1 4.42Å; F37-L212 HydrophobicContact CZ-CD1 3.99Å; I118-L212 HydrophobicContact CG2-CD1 4.32Å; L121-L212 HydrophobicContact CB-CD1 3.64Å; K122-L212 HydrophobicContact CB-CB 4.23Å; K122-L212 HydrophobicContact CB-CG 4.4Å; K122-L212 HydrophobicContact CD-CB 4.47Å; K122-L212 HydrophobicContact CG-CB 4.21Å; A155-L212 HydrophobicContact CB-CD2 3.71Å; E208-L212 PolarHBondContact O-N 3.48Å; L209-L212 PolarHBondContact O-N 3.3Å; L212-L214 VanDerWaalsContact C-N 3.33Å; L212-L214 PolarHBondContact O-N 2.98Å; L212-L215 PolarHBondContact O-N 3.48Å; L212-G216 PolarHBondContact O-N 2.71Å |
| 213 | I | 88.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 177.8 | -65.1 | 160.5 | 0 | 0 | 0 | 110.6 | V152 A155 L156 Y159 L209 L210 G216 V217 I269 | V152-I213 HydrophobicContact CG1-CG2 4.46Å; A155-I213 HydrophobicContact CB-CD1 4.49Å; A155-I213 HydrophobicContact CB-CG1 4.02Å; L156-I213 HydrophobicContact CD1-CG2 4.45Å; L156-I213 HydrophobicContact CD2-CD1 4.01Å; L156-I213 HydrophobicContact CD2-CG2 4.16Å; L156-I213 HydrophobicContact CG-CD1 3.98Å; L156-I213 HydrophobicContact CG-CG1 4.26Å; L156-I213 HydrophobicContact CG-CG2 4.1Å; Y159-I213 HydrophobicContact CG-CD1 4.46Å; L209-I213 WeakPolarHBondContact O-CD1 3.36Å; L209-I213 VanDerWaalsContact O-CG1 3.26Å; L209-I213 WeakPolarHBondContact O-CG1 3.48Å; L209-I213 PolarHBondContact O-N 3.1Å; L210-I213 PolarHBondContact O-N 3.48Å; I213-G216 PolarHBondContact O-N 3.07Å; I213-V217 HydrophobicContact CG2-CG2 4.23Å; I213-V217 WeakPolarHBondContact O-CB 3.48Å; I213-V217 VanDerWaalsContact O-CG2 3.27Å; I213-V217 WeakPolarHBondContact O-CG2 3.23Å; I213-V217 PolarHBondContact O-N 2.63Å; I213-I269 HydrophobicContact CB-CD1 4.14Å; I213-I269 HydrophobicContact CG2-CD1 3.99Å; I213-I269 HydrophobicContact CG2-CG1 4.35Å; I213-I269 HydrophobicContact CG2-CG2 3.75Å |
| 214 | L | 87.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61 | -48.9 | 177.2 | -180 | 64.3 | 0 | 0 | 0 | 111.9 | L210 E211 L212 G216 V217 H218 T265 L268 I269 V449 A452 T453 | L210-L214 WeakPolarHBondContact O-CB 3.3Å; L210-L214 PolarHBondContact O-N 3.23Å; E211-L214 PolarHBondContact O-N 3.35Å; L212-L214 VanDerWaalsContact C-N 3.33Å; L212-L214 PolarHBondContact O-N 2.98Å; L214-G216 VanDerWaalsContact C-N 3.35Å; L214-G216 PolarHBondContact O-N 2.85Å; L214-V217 PolarHBondContact O-N 3.42Å; L214-H218 WeakPolarHBondContact O-CB 3.25Å; L214-H218 PolarHBondContact O-N 3.34Å; L214-T265 HydrophobicContact CD2-CG2 4.33Å; L214-L268 HydrophobicContact CD1-CB 4.28Å; L214-I269 HydrophobicContact CB-CD1 4.44Å; L214-I269 HydrophobicContact CB-CG1 3.73Å; L214-I269 HydrophobicContact CD1-CG1 3.97Å; L214-I269 HydrophobicContact CG-CG1 4.43Å; L214-V449 HydrophobicContact CD2-CG1 4.36Å; L214-A452 HydrophobicContact CD1-CB 4.41Å; L214-A452 HydrophobicContact CD2-CB 3.98Å; L214-A452 HydrophobicContact CG-CB 3.87Å; L214-T453 HydrophobicContact CD2-CG2 4.01Å |
| 215 | L | 84 | Confident | 79.3 | Confident | 3 Ų | 3 | 16.2 Ų | 16.2 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.5 | -36.2 | -179.9 | -69.7 | 166.6 | 0 | 0 | 0 | 112.4 | K122 V125 W128 E211 L212 G219 L448 V449 A452 | K122-L215 HydrophobicContact CD-CD1 3.74Å; K122-L215 HydrophobicContact CG-CD1 3.41Å; K122-L215 VanDerWaalsContact CG-CD1 3.41Å; V125-L215 HydrophobicContact CG2-CB 3.99Å; W128-L215 HydrophobicContact CH2-CD2 4.43Å; W128-L215 HydrophobicContact CZ2-CD2 3.75Å; W128-L215 PolarHBondContact NE1-O 3.04Å; E211-L215 WeakPolarHBondContact O-CB 3.12Å; E211-L215 VanDerWaalsContact O-CG 3.28Å; E211-L215 WeakPolarHBondContact O-CG 3.46Å; E211-L215 PolarHBondContact O-N 3.13Å; L212-L215 PolarHBondContact O-N 3.48Å; L215-G219 PolarHBondContact O-N 3.15Å; L215-L448 HydrophobicContact CD2-CB 3.66Å; L215-L448 WeakPolarHBondContact CD2-O 3.26Å; L215-V449 HydrophobicContact CD1-CG2 3.93Å; L215-V449 HydrophobicContact CG-CG2 4.39Å; L215-A452 HydrophobicContact CD2-CB 4.34Å |
| 216 | G | 84.1 | Confident | 78 | Confident | 3 Ų | 3 | 21.3 Ų | 21.3 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.9 | -44.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L212 I213 L214 G219 L220 | L212-G216 PolarHBondContact O-N 2.71Å; I213-G216 PolarHBondContact O-N 3.07Å; L214-G216 VanDerWaalsContact C-N 3.35Å; L214-G216 PolarHBondContact O-N 2.85Å; G216-G219 PolarHBondContact O-N 3.3Å; G216-L220 VanDerWaalsContact O-CG 3.27Å; G216-L220 WeakPolarHBondContact O-CG 3.46Å; G216-L220 PolarHBondContact O-N 3.08Å |
| 217 | V | 85.4 | Confident | 76.7 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 174.4 | 167 | 0 | 0 | 0 | 0 | 111.2 | V152 I213 L214 L220 S221 I269 R272 A273 | V152-V217 HydrophobicContact CG1-CG2 4.24Å; I213-V217 HydrophobicContact CG2-CG2 4.23Å; I213-V217 WeakPolarHBondContact O-CB 3.48Å; I213-V217 VanDerWaalsContact O-CG2 3.27Å; I213-V217 WeakPolarHBondContact O-CG2 3.23Å; I213-V217 PolarHBondContact O-N 2.63Å; L214-V217 PolarHBondContact O-N 3.42Å; V217-L220 PolarHBondContact O-N 3.45Å; V217-S221 PolarHBondContact O-N 2.91Å; V217-S221 VanDerWaalsContact O-N 3.07Å; V217-S221 PolarHBondContact O-OG 3.2Å; V217-S221 VanDerWaalsContact O-OG 3.09Å; V217-I269 HydrophobicContact CG2-CG2 4.31Å; V217-R272 HydrophobicContact CG1-CB 4.18Å; V217-R272 HydrophobicContact CG1-CG 4.28Å; V217-A273 HydrophobicContact CG1-CB 3.8Å |
| 218 | H | 84.6 | Confident | 75.6 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 176.2 | -176.4 | 96.4 | 0 | 0 | 0 | 112.2 | W128 L214 S221 L222 R272 A452 S455 | W128-H218 AromaticContact CE2-CD2 3.78Å; W128-H218 AromaticContact CH2-CD2 3.79Å; W128-H218 AromaticContact CZ2-CD2 3.65Å; W128-H218 AromaticContact CZ3-NE2 3.99Å; L214-H218 WeakPolarHBondContact O-CB 3.25Å; L214-H218 PolarHBondContact O-N 3.34Å; H218-S221 PolarHBondContact O-OG 3.07Å; H218-L222 WeakPolarHBondContact NE2-CD1 3.42Å; H218-L222 WeakPolarHBondContact O-CG 3.39Å; H218-L222 PolarHBondContact O-N 2.66Å; H218-R272 HydrophobicContact CB-CG 4.1Å; H218-R272 PolarHBondContact ND1-NE 2.96Å; H218-A452 HydrophobicContact CB-CB 4.14Å; H218-S455 PolarHBondContact CE1-OG 3.35Å |
| 219 | G | 78.3 | Confident | 75.1 | Confident | 9 Ų | 9 | 30.3 Ų | 30.3 | 9% | 0.093 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L215 G216 S221 L222 T223 | L215-G219 PolarHBondContact O-N 3.15Å; G216-G219 PolarHBondContact O-N 3.3Å; G219-S221 PolarHBondContact O-N 3.43Å; G219-L222 PolarHBondContact O-N 2.43Å; G219-T223 PolarHBondContact O-N 3.33Å |
| 220 | L | 79.5 | Confident | 74.5 | Confident | 46 Ų | 46 | 31.7 Ų | 31.7 | 24% | 0.241 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 179.3 | -74.2 | 167.7 | 0 | 0 | 0 | 112.4 | R149 G216 V217 T223 | R149-L220 HydrophobicContact CB-CD2 4.33Å; G216-L220 VanDerWaalsContact O-CG 3.27Å; G216-L220 WeakPolarHBondContact O-CG 3.46Å; G216-L220 PolarHBondContact O-N 3.08Å; V217-L220 PolarHBondContact O-N 3.45Å; L220-T223 PolarHBondContact O-N 3.27Å; L220-T223 PolarHBondContact O-OG1 2.85Å |
| 221 | S | 74.5 | Confident | 74.1 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 11% | 0.105 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.2 | -39.1 | 175.7 | 38.9 | 0 | 0 | 0 | 0 | 112.7 | V217 H218 G219 T223 G224 R272 N275 | V217-S221 PolarHBondContact O-N 2.91Å; V217-S221 VanDerWaalsContact O-N 3.07Å; V217-S221 PolarHBondContact O-OG 3.2Å; V217-S221 VanDerWaalsContact O-OG 3.09Å; H218-S221 PolarHBondContact O-OG 3.07Å; G219-S221 PolarHBondContact O-N 3.43Å; S221-T223 VanDerWaalsContact C-N 3.29Å; S221-T223 PolarHBondContact O-N 2.93Å; S221-G224 PolarHBondContact O-N 3.08Å; S221-R272 PolarHBondContact OG-NE 2.77Å; S221-R272 VanDerWaalsContact OG-NE 3.12Å; S221-R272 PolarHBondContact OG-NH2 3.41Å; S221-N275 WeakPolarHBondContact CA-OD1 3.37Å; S221-N275 WeakPolarHBondContact CB-OD1 3.45Å |
| 222 | L | 71.3 | Confident | 73.8 | Confident | 40 Ų | 40 | 36.3 Ų | 36.3 | 21% | 0.209 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -26.3 | 176.9 | -72 | 172.3 | 0 | 0 | 0 | 114.5 | W128 H218 G219 G224 V513 | W128-L222 HydrophobicContact CB-CD1 4.02Å; W128-L222 HydrophobicContact CD2-CD1 4.09Å; W128-L222 HydrophobicContact CE3-CD1 4.03Å; W128-L222 HydrophobicContact CG-CD1 4.12Å; H218-L222 WeakPolarHBondContact NE2-CD1 3.42Å; H218-L222 WeakPolarHBondContact O-CG 3.39Å; H218-L222 PolarHBondContact O-N 2.66Å; G219-L222 PolarHBondContact O-N 2.43Å; L222-G224 PolarHBondContact O-N 3.25Å; L222-V513 HydrophobicContact CD1-CG1 3.71Å; L222-V513 HydrophobicContact CD2-CG1 3.95Å; L222-V513 HydrophobicContact CG-CG1 4.4Å |
| 223 | T | 65.4 | Low | 73.8 | Confident | 63 Ų | 63 | 36.3 Ų | 36.3 | 39% | 0.387 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -0 | 179.8 | 60.4 | 0 | 0 | 0 | 0 | 114.3 | G219 L220 S221 T225 | G219-T223 PolarHBondContact O-N 3.33Å; L220-T223 PolarHBondContact O-N 3.27Å; L220-T223 PolarHBondContact O-OG1 2.85Å; S221-T223 VanDerWaalsContact C-N 3.29Å; S221-T223 PolarHBondContact O-N 2.93Å; T223-T225 PolarHBondContact O-N 2.68Å; T223-T225 VanDerWaalsContact O-N 3.08Å |
| 224 | G | 55.8 | Low | 73.7 | Confident | 53 Ų | 53 | 40.5 Ų | 40.5 | 55% | 0.546 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 13.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S221 L222 I226 | S221-G224 PolarHBondContact O-N 3.08Å; L222-G224 PolarHBondContact O-N 3.25Å; G224-I226 PolarHBondContact O-N 3.39Å |
| 225 | T | 54.7 | Low | 73.6 | Confident | 75 Ų | 75 | 44.4 Ų | 44.4 | 46% | 0.46 | 25% | 0.251 | S | S | . | . | trans | -81.6 | 64.7 | -176.9 | 55.2 | 0 | 0 | 0 | 0 | 112.1 | T223 K227 N228 | T223-T225 PolarHBondContact O-N 2.68Å; T223-T225 VanDerWaalsContact O-N 3.08Å; T225-K227 PolarHBondContact O-N 2.99Å; T225-N228 PolarHBondContact O-N 3.05Å | ||
| 226 | I | 52.8 | Low | 73.7 | Confident | 108 Ų | 108 | 44.3 Ų | 44.3 | 55% | 0.554 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -43.5 | -35.6 | -174.4 | -64.2 | 166.2 | 0 | 0 | 0 | 113.4 | G224 N228 P321 | G224-I226 PolarHBondContact O-N 3.39Å; I226-N228 PolarHBondContact O-N 2.93Å; I226-P321 HydrophobicContact CG2-CB 4.31Å; I226-P321 HydrophobicContact CG2-CG 4.47Å |
| 227 | K | 57.1 | Low | 73.9 | Confident | 116 Ų | 116 | 44.2 Ų | 44.2 | 50% | 0.504 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -52.5 | -18.1 | 176.2 | -65.6 | -163.1 | 173.6 | -169.7 | 0 | 115.5 | T225 D318 P321 | T225-K227 PolarHBondContact O-N 2.99Å; K227-D318 IonicContact NZ-OD1 3.61Å; K227-D318 PolarHBondContact NZ-OD1 3.42Å; K227-D318 IonicContact NZ-OD2 2.71Å; K227-D318 PolarHBondContact NZ-OD2 2.81Å; K227-P321 HydrophobicContact CB-CG 4.15Å; K227-P321 HydrophobicContact CG-CG 3.65Å |
| 228 | N | 59.6 | Low | 74 | Confident | 66 Ų | 66 | 47.2 Ų | 47.2 | 35% | 0.353 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -114.7 | -18 | -171 | -77.4 | -53.1 | 0 | 0 | 0 | 117 | R149 T225 I226 V231 V232 | R149-N228 PolarHBondContact NH1-OD1 3.34Å; T225-N228 PolarHBondContact O-N 3.05Å; I226-N228 PolarHBondContact O-N 2.93Å; N228-V231 PolarHBondContact O-N 2.95Å; N228-V232 PolarHBondContact O-N 3.26Å |
| 229 | S | 69.5 | Low | 74 | Confident | 20 Ų | 20 | 47.6 Ų | 47.6 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -51.8 | -55.9 | -174.2 | 164.2 | 0 | 0 | 0 | 0 | 114.5 | V231 V232 F233 | S229-V231 PolarHBondContact O-N 3.46Å; S229-V231 VanDerWaalsContact O-N 3.13Å; S229-V232 PolarHBondContact O-N 2.98Å; S229-F233 PolarHBondContact O-N 3.27Å |
| 230 | P | 73.6 | Confident | 74.4 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 20% | 0.201 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.4 | -26.2 | -173.8 | 22.3 | -33.5 | 0 | 0 | 0 | 113.6 | K234 F324 L330 | P230-K234 VanDerWaalsContact O-CB 3.27Å; P230-K234 WeakPolarHBondContact O-CB 3.18Å; P230-K234 PolarHBondContact O-N 3.29Å; P230-F324 HydrophobicContact CB-CB 4.03Å; P230-L330 HydrophobicContact CB-CD1 4.46Å |
| 231 | V | 78.3 | Confident | 74.7 | Confident | 84 Ų | 84 | 49.9 Ų | 49.9 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -72.1 | -38.3 | 176.6 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | N228 S229 K235 | N228-V231 PolarHBondContact O-N 2.95Å; S229-V231 PolarHBondContact O-N 3.46Å; S229-V231 VanDerWaalsContact O-N 3.13Å; V231-K235 WeakPolarHBondContact O-CB 3.27Å; V231-K235 PolarHBondContact O-N 3.39Å |
| 232 | V | 79.1 | Confident | 75.2 | Confident | 23 Ų | 23 | 52.9 Ų | 52.9 | 14% | 0.139 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.8 | -46.7 | 174.8 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | N228 S229 K234 K235 V236 | N228-V232 PolarHBondContact O-N 3.26Å; S229-V232 PolarHBondContact O-N 2.98Å; V232-K234 PolarHBondContact O-N 2.82Å; V232-K235 PolarHBondContact O-N 3.23Å; V232-V236 HydrophobicContact CG1-CG2 4.4Å; V232-V236 WeakPolarHBondContact O-CG2 3.31Å; V232-V236 PolarHBondContact O-N 2.89Å |
| 233 | F | 85.5 | Confident | 75.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.4 | -49.1 | 176.3 | 180 | -104.3 | 0 | 0 | 0 | 112.2 | S229 K235 V236 L237 L270 A273 A274 F324 L330 L334 F353 | S229-F233 PolarHBondContact O-N 3.27Å; F233-K235 VanDerWaalsContact C-N 3.35Å; F233-K235 PolarHBondContact O-N 2.94Å; F233-V236 PolarHBondContact O-N 3.42Å; F233-L237 HydrophobicContact CE1-CD2 4.23Å; F233-L237 WeakPolarHBondContact O-CB 3.31Å; F233-L237 PolarHBondContact O-N 2.81Å; F233-L270 HydrophobicContact CD2-CD1 4.29Å; F233-L270 HydrophobicContact CE2-CD1 3.79Å; F233-L270 HydrophobicContact CE2-CG 3.96Å; F233-L270 HydrophobicContact CZ-CD1 4.38Å; F233-A273 HydrophobicContact CD2-CB 4.15Å; F233-A274 HydrophobicContact CD2-CB 3.95Å; F233-A274 HydrophobicContact CE2-CB 3.79Å; F233-F324 HydrophobicContact CD1-CB 4.34Å; F233-F324 AromaticContact CD1-CD2 3.77Å; F233-F324 HydrophobicContact CD1-CD2 3.77Å; F233-F324 HydrophobicContact CD1-CE2 4.24Å; F233-F324 AromaticContact CD1-CG 3.94Å; F233-F324 HydrophobicContact CD1-CG 3.94Å; F233-F324 AromaticContact CE1-CD2 3.43Å; F233-F324 HydrophobicContact CE1-CD2 3.43Å; F233-F324 VanDerWaalsContact CE1-CD2 3.43Å; F233-F324 AromaticContact CE1-CE2 3.53Å; F233-F324 HydrophobicContact CE1-CE2 3.53Å; F233-F324 HydrophobicContact CE1-CG 4.07Å; F233-F324 HydrophobicContact CE1-CZ 4.24Å; F233-F324 HydrophobicContact CE2-CZ 4.49Å; F233-F324 HydrophobicContact CZ-CD2 4.08Å; F233-F324 AromaticContact CZ-CE2 3.7Å; F233-F324 HydrophobicContact CZ-CE2 3.7Å; F233-F324 HydrophobicContact CZ-CZ 4.05Å; F233-L330 HydrophobicContact CD1-CD2 4.47Å; F233-L334 HydrophobicContact CZ-CD1 4.44Å; F233-L334 HydrophobicContact CZ-CD2 4.45Å; F233-F353 HydrophobicContact CE2-CE1 4.19Å; F233-F353 AromaticContact CE2-CZ 3.83Å; F233-F353 HydrophobicContact CE2-CZ 3.83Å; F233-F353 HydrophobicContact CZ-CE1 4.24Å; F233-F353 HydrophobicContact CZ-CZ 4.07Å |
| 234 | K | 86.3 | Confident | 76.4 | Confident | 89 Ų | 89 | 50.9 Ų | 50.9 | 39% | 0.387 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.3 | -46.7 | 176.1 | -179.8 | 174.1 | 174.8 | 180 | 0 | 112.3 | P230 V232 L237 E238 L330 | P230-K234 VanDerWaalsContact O-CB 3.27Å; P230-K234 WeakPolarHBondContact O-CB 3.18Å; P230-K234 PolarHBondContact O-N 3.29Å; V232-K234 PolarHBondContact O-N 2.82Å; K234-L237 PolarHBondContact O-N 3.37Å; K234-E238 WeakPolarHBondContact CE-OE1 3.42Å; K234-E238 HydrophobicContact CG-CG 4.34Å; K234-E238 WeakPolarHBondContact O-CB 3.37Å; K234-E238 WeakPolarHBondContact O-CG 3.33Å; K234-E238 PolarHBondContact O-N 3.26Å; K234-L330 HydrophobicContact CB-CD2 3.88Å; K234-L330 HydrophobicContact CD-CD2 4.39Å; K234-L330 HydrophobicContact CG-CD2 4.01Å |
| 235 | K | 85.7 | Confident | 77.5 | Confident | 82 Ų | 82 | 48.6 Ų | 48.6 | 36% | 0.357 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 180 | -175.5 | 74.7 | 177.5 | -178.1 | 0 | 111.1 | V231 V232 F233 T239 | V231-K235 WeakPolarHBondContact O-CB 3.27Å; V231-K235 PolarHBondContact O-N 3.39Å; V232-K235 PolarHBondContact O-N 3.23Å; F233-K235 VanDerWaalsContact C-N 3.35Å; F233-K235 PolarHBondContact O-N 2.94Å; K235-T239 WeakPolarHBondContact O-CB 3.46Å; K235-T239 PolarHBondContact O-N 3.48Å; K235-T239 PolarHBondContact O-OG1 3.28Å; K235-T239 VanDerWaalsContact O-OG1 3.09Å |
| 236 | V | 86.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.9 | -47.4 | 177 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | L156 V232 F233 T239 F240 I269 L270 A273 | L156-V236 HydrophobicContact CD1-CG2 3.93Å; L156-V236 HydrophobicContact CD2-CG2 4.48Å; V232-V236 HydrophobicContact CG1-CG2 4.4Å; V232-V236 WeakPolarHBondContact O-CG2 3.31Å; V232-V236 PolarHBondContact O-N 2.89Å; F233-V236 PolarHBondContact O-N 3.42Å; V236-T239 PolarHBondContact O-N 3.17Å; V236-F240 HydrophobicContact CG1-CD2 3.7Å; V236-F240 HydrophobicContact CG1-CE2 3.48Å; V236-F240 VanDerWaalsContact CG1-CE2 3.48Å; V236-F240 HydrophobicContact CG1-CZ 4.2Å; V236-F240 PolarHBondContact O-N 3.3Å; V236-I269 HydrophobicContact CG1-CG2 3.91Å; V236-I269 HydrophobicContact CG2-CG2 4.49Å; V236-L270 HydrophobicContact CG1-CD1 3.86Å; V236-A273 HydrophobicContact CG2-CB 4.43Å |
| 237 | L | 87.5 | Confident | 79.2 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.4 | -47 | 178.9 | -179.9 | 61.5 | 0 | 0 | 0 | 111.9 | F233 K234 T239 W241 F245 L270 L334 | F233-L237 HydrophobicContact CE1-CD2 4.23Å; F233-L237 WeakPolarHBondContact O-CB 3.31Å; F233-L237 PolarHBondContact O-N 2.81Å; K234-L237 PolarHBondContact O-N 3.37Å; L237-T239 VanDerWaalsContact C-N 3.35Å; L237-T239 PolarHBondContact O-N 3.36Å; L237-W241 WeakPolarHBondContact O-CB 3.33Å; L237-W241 PolarHBondContact O-N 2.65Å; L237-F245 HydrophobicContact CD1-CZ 4.23Å; L237-L270 HydrophobicContact CB-CD1 3.98Å; L237-L270 HydrophobicContact CD1-CD1 4.14Å; L237-L270 HydrophobicContact CD1-CD2 4.36Å; L237-L334 HydrophobicContact CD1-CD1 3.9Å; L237-L334 HydrophobicContact CD2-CB 4.23Å; L237-L334 HydrophobicContact CD2-CD1 4.48Å |
| 238 | E | 87.1 | Confident | 80 | Confident | 66 Ų | 66 | 38.9 Ų | 38.9 | 31% | 0.308 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.7 | -41.2 | 176.8 | -71.9 | -179.7 | 150.5 | 0 | 0 | 111.6 | K234 S242 R333 | K234-E238 WeakPolarHBondContact CE-OE1 3.42Å; K234-E238 HydrophobicContact CG-CG 4.34Å; K234-E238 WeakPolarHBondContact O-CB 3.37Å; K234-E238 WeakPolarHBondContact O-CG 3.33Å; K234-E238 PolarHBondContact O-N 3.26Å; E238-S242 WeakPolarHBondContact O-CB 3.42Å; E238-S242 PolarHBondContact O-N 3.17Å; E238-R333 IonicContact OE1-CZ 3.68Å; E238-R333 IonicContact OE1-NH1 3.78Å; E238-R333 PolarHBondContact OE1-NH1 2.94Å; E238-R333 IonicContact OE1-NH2 2.7Å; E238-R333 PolarHBondContact OE1-NH2 3.3Å |
| 239 | T | 85.4 | Confident | 80.6 | Confident | 12 Ų | 12 | 35.7 Ų | 35.7 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.1 | -55 | 175.7 | -67.6 | 0 | 0 | 0 | 0 | 112.1 | L156 L160 K235 V236 L237 W241 S242 | L156-T239 HydrophobicContact CD2-CG2 4.09Å; L160-T239 HydrophobicContact CB-CG2 4.5Å; L160-T239 HydrophobicContact CD1-CG2 4.15Å; K235-T239 WeakPolarHBondContact O-CB 3.46Å; K235-T239 PolarHBondContact O-N 3.48Å; K235-T239 PolarHBondContact O-OG1 3.28Å; K235-T239 VanDerWaalsContact O-OG1 3.09Å; V236-T239 PolarHBondContact O-N 3.17Å; L237-T239 VanDerWaalsContact C-N 3.35Å; L237-T239 PolarHBondContact O-N 3.36Å; T239-W241 PolarHBondContact O-N 3.34Å; T239-S242 PolarHBondContact O-N 2.91Å; T239-S242 PolarHBondContact O-OG 3.15Å |
| 240 | F | 87.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.4 | -29.9 | -175.3 | -63.8 | -23.1 | 0 | 0 | 0 | 113.8 | L156 Y159 L210 V236 S242 I243 S244 F245 Q266 I269 | L156-F240 HydrophobicContact CD2-CE1 4.19Å; L156-F240 HydrophobicContact CD2-CZ 4.35Å; Y159-F240 HydrophobicContact CD1-CE1 4.25Å; Y159-F240 HydrophobicContact CE1-CD1 4.34Å; Y159-F240 HydrophobicContact CE1-CE1 4.02Å; L210-F240 HydrophobicContact CD2-CE1 3.96Å; L210-F240 HydrophobicContact CD2-CZ 3.87Å; V236-F240 HydrophobicContact CG1-CD2 3.7Å; V236-F240 HydrophobicContact CG1-CE2 3.48Å; V236-F240 VanDerWaalsContact CG1-CE2 3.48Å; V236-F240 HydrophobicContact CG1-CZ 4.2Å; V236-F240 PolarHBondContact O-N 3.3Å; F240-S242 VanDerWaalsContact C-N 3.35Å; F240-I243 HydrophobicContact CD1-CD1 4.42Å; F240-I243 VanDerWaalsContact O-CG1 3.29Å; F240-I243 WeakPolarHBondContact O-CG1 3.32Å; F240-I243 PolarHBondContact O-N 3.11Å; F240-S244 PolarHBondContact O-N 3.23Å; F240-F245 HydrophobicContact CB-CD1 3.81Å; F240-F245 HydrophobicContact CB-CE1 3.74Å; F240-F245 PolarHBondContact O-N 3.22Å; F240-Q266 HydrophobicContact CD1-CG 4.09Å; F240-Q266 HydrophobicContact CD2-CB 4.05Å; F240-Q266 HydrophobicContact CD2-CG 4.34Å; F240-Q266 HydrophobicContact CE1-CG 4.03Å; F240-Q266 HydrophobicContact CE2-CB 4.03Å; F240-Q266 HydrophobicContact CE2-CG 4.27Å; F240-Q266 VanDerWaalsContact CE2-O 3.29Å; F240-Q266 WeakPolarHBondContact CE2-O 3.37Å; F240-Q266 HydrophobicContact CG-CB 4.38Å; F240-Q266 HydrophobicContact CG-CG 4.26Å; F240-Q266 HydrophobicContact CZ-CB 4.36Å; F240-Q266 HydrophobicContact CZ-CG 4.12Å; F240-I269 HydrophobicContact CE2-CB 3.96Å; F240-I269 HydrophobicContact CE2-CD1 4.35Å; F240-I269 HydrophobicContact CE2-CG2 3.85Å; F240-I269 HydrophobicContact CZ-CB 4.28Å; F240-I269 HydrophobicContact CZ-CD1 3.9Å; F240-I269 HydrophobicContact CZ-CG2 4.04Å |
| 241 | W | 85.6 | Confident | 79.9 | Confident | 102 Ų | 102 | 38.9 Ų | 38.9 | 39% | 0.386 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.1 | -36.7 | 173.4 | -172.5 | 24.9 | 0 | 0 | 0 | 111.7 | L237 T239 I243 S244 F245 R333 | L237-W241 WeakPolarHBondContact O-CB 3.33Å; L237-W241 PolarHBondContact O-N 2.65Å; T239-W241 PolarHBondContact O-N 3.34Å; W241-I243 PolarHBondContact O-N 2.88Å; W241-I243 VanDerWaalsContact O-N 3.17Å; W241-S244 PolarHBondContact O-N 3.4Å; W241-F245 HydrophobicContact CB-CE2 4.31Å; W241-F245 HydrophobicContact CB-CZ 4.3Å; W241-R333 HydrophobicContact CE3-CG 4.4Å; W241-R333 HydrophobicContact CH2-CG 4.48Å; W241-R333 HydrophobicContact CZ3-CG 3.75Å |
| 242 | S | 84.7 | Confident | 79.1 | Confident | 79 Ų | 79 | 35.4 Ų | 35.4 | 55% | 0.552 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -62.1 | -22.7 | 178.2 | 77.4 | 0 | 0 | 0 | 0 | 114.4 | E238 T239 F240 | E238-S242 WeakPolarHBondContact O-CB 3.42Å; E238-S242 PolarHBondContact O-N 3.17Å; T239-S242 PolarHBondContact O-N 2.91Å; T239-S242 PolarHBondContact O-OG 3.15Å; F240-S242 VanDerWaalsContact C-N 3.35Å |
| 243 | I | 83.1 | Confident | 77.9 | Confident | 10 Ų | 10 | 44.9 Ų | 44.9 | 5% | 0.051 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 19.1 | 175.4 | 61.2 | 171.5 | 0 | 0 | 0 | 112.4 | Y159 Y163 F240 W241 F245 G246 | Y159-I243 HydrophobicContact CE1-CD1 3.64Å; Y163-I243 HydrophobicContact CD1-CB 3.94Å; Y163-I243 HydrophobicContact CD1-CD1 4.35Å; Y163-I243 HydrophobicContact CD1-CG2 3.63Å; Y163-I243 HydrophobicContact CD2-CD1 3.96Å; Y163-I243 HydrophobicContact CE1-CB 3.64Å; Y163-I243 HydrophobicContact CE1-CD1 4.43Å; Y163-I243 HydrophobicContact CE1-CG2 3.84Å; Y163-I243 HydrophobicContact CE2-CD1 4.04Å; Y163-I243 HydrophobicContact CG-CD1 4.13Å; Y163-I243 HydrophobicContact CG-CG2 4.29Å; F240-I243 HydrophobicContact CD1-CD1 4.42Å; F240-I243 VanDerWaalsContact O-CG1 3.29Å; F240-I243 WeakPolarHBondContact O-CG1 3.32Å; F240-I243 PolarHBondContact O-N 3.11Å; W241-I243 PolarHBondContact O-N 2.88Å; W241-I243 VanDerWaalsContact O-N 3.17Å; I243-F245 PolarHBondContact O-N 3.45Å; I243-F245 VanDerWaalsContact O-N 3.14Å; I243-G246 PolarHBondContact O-N 3.06Å; I243-G246 VanDerWaalsContact O-N 3.17Å |
| 244 | S | 78.9 | Confident | 76.5 | Confident | 51 Ų | 51 | 49.1 Ų | 49.1 | 36% | 0.357 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | 49.6 | 41.3 | 176.2 | 59.2 | 0 | 0 | 0 | 0 | 114.1 | F240 W241 G246 S247 | F240-S244 PolarHBondContact O-N 3.23Å; W241-S244 PolarHBondContact O-N 3.4Å; S244-G246 PolarHBondContact O-N 3.47Å; S244-G246 VanDerWaalsContact O-N 3.16Å; S244-S247 WeakPolarHBondContact CB-OG 3.44Å; S244-S247 WeakPolarHBondContact O-CB 3.47Å; S244-S247 PolarHBondContact O-N 3.37Å; S244-S247 PolarHBondContact O-OG 2.93Å; S244-S247 PolarHBondContact OG-OG 3.48Å |
| 245 | F | 78.3 | Confident | 75 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | 49.3 | 39.7 | -179.8 | -59.4 | -81.6 | 0 | 0 | 0 | 114.5 | L237 F240 W241 I243 S247 C263 Q266 L270 L341 H347 L350 | L237-F245 HydrophobicContact CD1-CZ 4.23Å; F240-F245 HydrophobicContact CB-CD1 3.81Å; F240-F245 HydrophobicContact CB-CE1 3.74Å; F240-F245 PolarHBondContact O-N 3.22Å; W241-F245 HydrophobicContact CB-CE2 4.31Å; W241-F245 HydrophobicContact CB-CZ 4.3Å; I243-F245 PolarHBondContact O-N 3.45Å; I243-F245 VanDerWaalsContact O-N 3.14Å; F245-S247 VanDerWaalsContact C-N 3.33Å; F245-S247 PolarHBondContact O-N 3.5Å; F245-C263 PolarHBondContact O-SG 2.62Å; F245-Q266 VanDerWaalsContact CA-OE1 3.24Å; F245-Q266 PolarHBondContact O-OE1 3.01Å; F245-L270 HydrophobicContact CE1-CD2 4.42Å; F245-L341 HydrophobicContact CD2-CD1 3.81Å; F245-L341 HydrophobicContact CE2-CD1 4.31Å; F245-L341 HydrophobicContact CG-CD1 4.37Å; F245-H347 PolarHBondContact O-CE1 2.88Å; F245-L350 HydrophobicContact CB-CD2 4.28Å; F245-L350 HydrophobicContact CD1-CD2 3.61Å; F245-L350 HydrophobicContact CD2-CD2 4.17Å; F245-L350 HydrophobicContact CE1-CD2 3.89Å; F245-L350 HydrophobicContact CE2-CD2 4.4Å; F245-L350 HydrophobicContact CG-CD2 3.76Å; F245-L350 HydrophobicContact CZ-CD2 4.27Å |
| 246 | G | 73 | Confident | 74.1 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | 86.3 | -5.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y163 I243 S244 S248 L249 | Y163-G246 VanDerWaalsContact OH-CA 3.25Å; Y163-G246 WeakPolarHBondContact OH-CA 3.28Å; Y163-G246 PolarHBondContact OH-O 2.86Å; I243-G246 PolarHBondContact O-N 3.06Å; I243-G246 VanDerWaalsContact O-N 3.17Å; S244-G246 PolarHBondContact O-N 3.47Å; S244-G246 VanDerWaalsContact O-N 3.16Å; G246-S248 VanDerWaalsContact C-N 3.31Å; G246-S248 PolarHBondContact O-N 2.93Å; G246-L249 PolarHBondContact O-N 3.03Å; G246-L249 VanDerWaalsContact O-N 3.16Å |
| 247 | S | 71.8 | Confident | 73 | Confident | 37 Ų | 37 | 49.9 Ų | 49.9 | 26% | 0.259 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -60.1 | -31 | -170.6 | 56.9 | 0 | 0 | 0 | 0 | 115 | S244 F245 L249 K250 | S244-S247 WeakPolarHBondContact CB-OG 3.44Å; S244-S247 WeakPolarHBondContact O-CB 3.47Å; S244-S247 PolarHBondContact O-N 3.37Å; S244-S247 PolarHBondContact O-OG 2.93Å; S244-S247 PolarHBondContact OG-OG 3.48Å; F245-S247 VanDerWaalsContact C-N 3.33Å; F245-S247 PolarHBondContact O-N 3.5Å; S247-L249 PolarHBondContact O-N 3.19Å; S247-K250 PolarHBondContact O-N 3.49Å |
| 248 | S | 73 | Confident | 72 | Confident | 58 Ų | 58 | 51.8 Ų | 51.8 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -65.5 | -21.1 | 178.7 | 66.4 | 0 | 0 | 0 | 0 | 114.4 | Y163 G246 K250 S251 | Y163-S248 PolarHBondContact OH-OG 2.96Å; G246-S248 VanDerWaalsContact C-N 3.31Å; G246-S248 PolarHBondContact O-N 2.93Å; S248-K250 VanDerWaalsContact C-N 3.29Å; S248-K250 PolarHBondContact O-N 3.06Å; S248-S251 PolarHBondContact O-OG 2.84Å |
| 249 | L | 71.8 | Confident | 71.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -75.1 | -13.3 | 176.9 | -68.2 | 175.8 | 0 | 0 | 0 | 113.7 | Y163 T166 I170 L203 G246 S247 S251 L252 V259 I262 | Y163-L249 HydrophobicContact CD2-CD1 4.1Å; Y163-L249 HydrophobicContact CE2-CD1 3.42Å; Y163-L249 VanDerWaalsContact CE2-CD1 3.42Å; Y163-L249 HydrophobicContact CE2-CG 3.83Å; T166-L249 HydrophobicContact CG2-CD2 4.18Å; I170-L249 HydrophobicContact CD1-CD2 3.69Å; L203-L249 HydrophobicContact CD2-CD1 3.9Å; L203-L249 HydrophobicContact CD2-CD2 4.48Å; G246-L249 PolarHBondContact O-N 3.03Å; G246-L249 VanDerWaalsContact O-N 3.16Å; S247-L249 PolarHBondContact O-N 3.19Å; L249-S251 PolarHBondContact O-N 3.38Å; L249-S251 VanDerWaalsContact O-N 3.11Å; L249-L252 PolarHBondContact O-N 2.85Å; L249-V259 HydrophobicContact CB-CG1 3.78Å; L249-V259 HydrophobicContact CB-CG2 4.2Å; L249-I262 HydrophobicContact CD1-CD1 4.24Å; L249-I262 HydrophobicContact CD1-CG2 4.49Å |
| 250 | K | 65.7 | Low | 70.8 | Confident | 38 Ų | 38 | 49.6 Ų | 49.6 | 17% | 0.165 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -74.5 | 4.1 | -175.6 | -73.3 | -176.2 | 169.1 | 174.4 | 0 | 115 | S247 S248 L252 V259 D260 Y344 | S247-K250 PolarHBondContact O-N 3.49Å; S248-K250 VanDerWaalsContact C-N 3.29Å; S248-K250 PolarHBondContact O-N 3.06Å; K250-L252 PolarHBondContact O-N 3.17Å; K250-V259 HydrophobicContact CG-CG1 3.61Å; K250-D260 IonicContact NZ-OD1 3.68Å; K250-Y344 HydrophobicContact CD-CD2 3.79Å; K250-Y344 HydrophobicContact CD-CE1 4.49Å; K250-Y344 HydrophobicContact CD-CE2 3.72Å; K250-Y344 HydrophobicContact CD-CG 4.2Å |
| 251 | S | 63.6 | Low | 70.2 | Confident | 80 Ų | 80 | 52 Ų | 52 | 56% | 0.559 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -63.4 | -28.5 | 163 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | S248 L249 R253 | S248-S251 PolarHBondContact O-OG 2.84Å; L249-S251 PolarHBondContact O-N 3.38Å; L249-S251 VanDerWaalsContact O-N 3.11Å; S251-R253 PolarHBondContact O-N 2.77Å |
| 252 | L | 60.2 | Low | 70 | Confident | 11 Ų | 11 | 47.2 Ų | 47.2 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | trans | -77.5 | 71.7 | 180 | -74.9 | 171.1 | 0 | 0 | 0 | 113.5 | I170 F195 A199 L203 L249 K250 T254 N255 N256 | I170-L252 HydrophobicContact CD1-CD1 3.54Å; I170-L252 HydrophobicContact CD1-CG 4.07Å; I170-L252 HydrophobicContact CG1-CD1 4.04Å; I170-L252 HydrophobicContact CG1-CG 4.33Å; F195-L252 HydrophobicContact CE1-CD2 3.74Å; F195-L252 HydrophobicContact CZ-CD2 4.11Å; A199-L252 HydrophobicContact CB-CD1 4.43Å; L203-L252 HydrophobicContact CD1-CD1 4.16Å; L249-L252 PolarHBondContact O-N 2.85Å; K250-L252 PolarHBondContact O-N 3.17Å; L252-T254 PolarHBondContact O-N 3.47Å; L252-N255 PolarHBondContact O-N 2.68Å; L252-N256 PolarHBondContact O-OD1 2.71Å | ||
| 253 | R | 55.6 | Low | 69.9 | Low | 221 Ų | 221 | 43.4 Ų | 43.4 | 83% | 0.834 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -23.1 | 178.4 | -76.9 | -172 | 174.1 | -172.4 | -0.7 | 115.8 | S251 N256 | S251-R253 PolarHBondContact O-N 2.77Å; R253-N256 WeakPolarHBondContact CA-OD1 3.39Å; R253-N256 PolarHBondContact O-OD1 3.08Å |
| 254 | T | 55.2 | Low | 69.9 | Low | 89 Ų | 89 | 43.2 Ų | 43.2 | 55% | 0.546 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -32.5 | 179.9 | 45.1 | 0 | 0 | 0 | 0 | 113.6 | L252 I1022 | L252-T254 PolarHBondContact O-N 3.47Å; T254-I1022 VanDerWaalsContact O-CD1 3.23Å; T254-I1022 WeakPolarHBondContact O-CD1 3.42Å |
| 255 | N | 55.4 | Low | 70.1 | Confident | 25 Ų | 25 | 41.1 Ų | 41.1 | 13% | 0.134 | 22% | 0.216 | C | C | . | . | trans | -114.8 | 24.4 | -167.6 | -71.7 | -12.7 | 0 | 0 | 0 | 113.5 | L203 L252 L257 L258 V259 | L203-N255 HydrophobicContact CD1-CB 3.79Å; L252-N255 PolarHBondContact O-N 2.68Å; N255-L257 PolarHBondContact O-N 3.19Å; N255-L258 PolarHBondContact O-N 2.94Å; N255-L258 VanDerWaalsContact O-N 3.11Å; N255-V259 PolarHBondContact O-N 3.38Å | ||
| 256 | N | 65.7 | Low | 70.5 | Confident | 79 Ų | 79 | 40.9 Ų | 40.9 | 42% | 0.422 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -45.5 | -37.5 | -176.5 | -67.1 | -11.3 | 0 | 0 | 0 | 114.2 | L252 R253 L258 V259 D260 | L252-N256 PolarHBondContact O-OD1 2.71Å; R253-N256 WeakPolarHBondContact CA-OD1 3.39Å; R253-N256 PolarHBondContact O-OD1 3.08Å; N256-L258 PolarHBondContact O-N 3.45Å; N256-V259 PolarHBondContact O-N 3.18Å; N256-D260 WeakPolarHBondContact O-CB 3.36Å; N256-D260 VanDerWaalsContact O-CG 3.24Å; N256-D260 PolarHBondContact O-N 3.38Å |
| 257 | L | 64.6 | Low | 71.2 | Confident | 83 Ų | 83 | 41 Ų | 41 | 44% | 0.435 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.5 | -42.1 | -175.9 | -129.3 | 168.6 | 0 | 0 | 0 | 112.7 | N255 Q261 | N255-L257 PolarHBondContact O-N 3.19Å; L257-Q261 PolarHBondContact O-N 3.31Å; L257-Q261 VanDerWaalsContact O-N 3.13Å |
| 258 | L | 66.6 | Low | 71.9 | Confident | 42 Ų | 42 | 39.2 Ų | 39.2 | 22% | 0.22 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -74.3 | -37 | 175.8 | -70.1 | 173.3 | 0 | 0 | 0 | 111.9 | L203 N255 N256 Q261 I262 | L203-L258 HydrophobicContact CB-CB 4.18Å; L203-L258 HydrophobicContact CB-CD1 4.1Å; L203-L258 HydrophobicContact CD1-CB 4.35Å; N255-L258 PolarHBondContact O-N 2.94Å; N255-L258 VanDerWaalsContact O-N 3.11Å; N256-L258 PolarHBondContact O-N 3.45Å; L258-Q261 WeakPolarHBondContact O-CB 3.35Å; L258-Q261 PolarHBondContact O-N 3.36Å; L258-I262 WeakPolarHBondContact O-CG1 3.36Å; L258-I262 PolarHBondContact O-N 2.82Å |
| 259 | V | 73.1 | Confident | 72.6 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 177 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | L203 L249 K250 N255 N256 Q261 I262 C263 | L203-V259 HydrophobicContact CD1-CG2 4.1Å; L203-V259 HydrophobicContact CD2-CG2 4.07Å; L249-V259 HydrophobicContact CB-CG1 3.78Å; L249-V259 HydrophobicContact CB-CG2 4.2Å; K250-V259 HydrophobicContact CG-CG1 3.61Å; N255-V259 PolarHBondContact O-N 3.38Å; N256-V259 PolarHBondContact O-N 3.18Å; V259-Q261 VanDerWaalsContact C-N 3.35Å; V259-I262 PolarHBondContact O-N 2.94Å; V259-C263 PolarHBondContact O-N 2.72Å |
| 260 | D | 73.8 | Confident | 73.3 | Confident | 31 Ų | 31 | 36.5 Ų | 36.5 | 17% | 0.166 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.8 | -39 | 172 | -71.8 | -12.6 | 0 | 0 | 0 | 112 | K250 N256 I262 C263 F264 V346 R419 | K250-D260 IonicContact NZ-OD1 3.68Å; N256-D260 WeakPolarHBondContact O-CB 3.36Å; N256-D260 VanDerWaalsContact O-CG 3.24Å; N256-D260 PolarHBondContact O-N 3.38Å; D260-I262 VanDerWaalsContact C-N 3.35Å; D260-C263 PolarHBondContact O-N 2.87Å; D260-F264 VanDerWaalsContact O-CB 3.25Å; D260-F264 WeakPolarHBondContact O-CB 3.44Å; D260-F264 PolarHBondContact O-N 3.4Å; D260-V346 HydrophobicContact CB-CG2 3.91Å; D260-V346 WeakPolarHBondContact O-CG1 3.4Å; D260-V346 WeakPolarHBondContact OD1-CG2 3.2Å; D260-R419 VanDerWaalsContact CB-NH1 3.33Å; D260-R419 IonicContact OD2-CZ 3.57Å; D260-R419 IonicContact OD2-NH1 2.72Å; D260-R419 IonicContact OD2-NH2 2.67Å; D260-R419 PolarHBondContact OD2-NH2 3.41Å |
| 261 | Q | 75.6 | Confident | 74.3 | Confident | 52 Ų | 52 | 34.7 Ų | 34.7 | 24% | 0.243 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.6 | -41.6 | 174.8 | -173.3 | 175.7 | 0.1 | 0 | 0 | 111.1 | V207 L257 L258 V259 F264 T265 | V207-Q261 HydrophobicContact CG1-CG 4.38Å; V207-Q261 HydrophobicContact CG2-CG 4.32Å; L257-Q261 PolarHBondContact O-N 3.31Å; L257-Q261 VanDerWaalsContact O-N 3.13Å; L258-Q261 WeakPolarHBondContact O-CB 3.35Å; L258-Q261 PolarHBondContact O-N 3.36Å; V259-Q261 VanDerWaalsContact C-N 3.35Å; Q261-F264 PolarHBondContact O-N 2.73Å; Q261-T265 PolarHBondContact O-N 2.67Å; Q261-T265 PolarHBondContact O-OG1 3.32Å |
| 262 | I | 80.6 | Confident | 75.4 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.4 | -52.4 | 175 | -73.3 | 168.3 | 0 | 0 | 0 | 111.3 | L203 L206 V207 L210 L249 L258 V259 D260 F264 T265 Q266 | L203-I262 HydrophobicContact CB-CD1 4.27Å; L203-I262 HydrophobicContact CD2-CD1 3.6Å; L206-I262 HydrophobicContact CB-CD1 3.94Å; L206-I262 HydrophobicContact CD1-CD1 4.39Å; V207-I262 HydrophobicContact CG2-CD1 4.31Å; V207-I262 HydrophobicContact CG2-CG1 3.67Å; L210-I262 HydrophobicContact CD1-CB 4.26Å; L210-I262 HydrophobicContact CD1-CG1 4.28Å; L210-I262 HydrophobicContact CD1-CG2 3.94Å; L249-I262 HydrophobicContact CD1-CD1 4.24Å; L249-I262 HydrophobicContact CD1-CG2 4.49Å; L258-I262 WeakPolarHBondContact O-CG1 3.36Å; L258-I262 PolarHBondContact O-N 2.82Å; V259-I262 PolarHBondContact O-N 2.94Å; D260-I262 VanDerWaalsContact C-N 3.35Å; I262-F264 VanDerWaalsContact C-N 3.28Å; I262-F264 PolarHBondContact O-N 2.84Å; I262-T265 PolarHBondContact O-N 3.38Å; I262-Q266 WeakPolarHBondContact O-CB 3.37Å; I262-Q266 VanDerWaalsContact O-CG 3.3Å; I262-Q266 WeakPolarHBondContact O-CG 3.38Å; I262-Q266 PolarHBondContact O-N 3.18Å |
| 263 | C | 82.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.1 | -35.7 | 177.5 | -70 | 0 | 0 | 0 | 0 | 112.9 | F245 V259 D260 T267 V346 | F245-C263 PolarHBondContact O-SG 2.62Å; V259-C263 PolarHBondContact O-N 2.72Å; D260-C263 PolarHBondContact O-N 2.87Å; C263-T267 PolarHBondContact O-N 3.22Å; C263-T267 PolarHBondContact O-OG1 3Å; C263-V346 HydrophobicContact CB-CB 4.37Å; C263-V346 HydrophobicContact CB-CG1 3.6Å |
| 264 | F | 82.7 | Confident | 77.8 | Confident | 5 Ų | 5 | 20.4 Ų | 20.4 | 2% | 0.022 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71.2 | -47.5 | 178.1 | -174.6 | -129.4 | 0 | 0 | 0 | 112 | D260 Q261 I262 Q266 T267 L268 V346 P349 F415 L416 R419 | D260-F264 VanDerWaalsContact O-CB 3.25Å; D260-F264 WeakPolarHBondContact O-CB 3.44Å; D260-F264 PolarHBondContact O-N 3.4Å; Q261-F264 PolarHBondContact O-N 2.73Å; I262-F264 VanDerWaalsContact C-N 3.28Å; I262-F264 PolarHBondContact O-N 2.84Å; F264-Q266 PolarHBondContact O-N 3.24Å; F264-T267 WeakPolarHBondContact O-CA 3.32Å; F264-T267 VanDerWaalsContact O-CB 3.3Å; F264-T267 WeakPolarHBondContact O-CB 3.35Å; F264-T267 PolarHBondContact O-N 2.94Å; F264-L268 HydrophobicContact CD1-CD1 3.91Å; F264-L268 HydrophobicContact CD2-CD1 4.47Å; F264-L268 HydrophobicContact CD2-CG 4.43Å; F264-L268 HydrophobicContact CE1-CD1 3.64Å; F264-L268 HydrophobicContact CE1-CG 4.45Å; F264-L268 HydrophobicContact CE2-CD1 4.2Å; F264-L268 HydrophobicContact CE2-CD2 4.19Å; F264-L268 HydrophobicContact CE2-CG 4.14Å; F264-L268 HydrophobicContact CG-CD1 4.33Å; F264-L268 HydrophobicContact CZ-CD1 3.79Å; F264-L268 HydrophobicContact CZ-CD2 4.11Å; F264-L268 HydrophobicContact CZ-CG 4.16Å; F264-L268 WeakPolarHBondContact O-CG 3.11Å; F264-L268 PolarHBondContact O-N 2.89Å; F264-V346 HydrophobicContact CB-CG1 4.04Å; F264-P349 HydrophobicContact CE2-CG 4.5Å; F264-F415 HydrophobicContact CD2-CE1 4.43Å; F264-L416 HydrophobicContact CE2-CD2 3.55Å; F264-L416 HydrophobicContact CZ-CD2 3.87Å; F264-R419 HydrophobicContact CE1-CB 4.01Å; F264-R419 HydrophobicContact CZ-CB 4.23Å |
| 265 | T | 82.9 | Confident | 79 | Confident | 7 Ų | 7 | 17.5 Ų | 17.5 | 4% | 0.043 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.2 | -36.8 | 178.8 | -49.5 | 0 | 0 | 0 | 0 | 111.9 | L210 L214 Q261 I262 T267 L268 I269 | L210-T265 HydrophobicContact CB-CG2 3.76Å; L214-T265 HydrophobicContact CD2-CG2 4.33Å; Q261-T265 PolarHBondContact O-N 2.67Å; Q261-T265 PolarHBondContact O-OG1 3.32Å; I262-T265 PolarHBondContact O-N 3.38Å; T265-T267 VanDerWaalsContact C-N 3.27Å; T265-T267 PolarHBondContact O-N 3Å; T265-L268 PolarHBondContact O-N 2.98Å; T265-I269 HydrophobicContact CG2-CD1 4.12Å; T265-I269 HydrophobicContact CG2-CG1 4.41Å; T265-I269 WeakPolarHBondContact O-CD1 2.99Å; T265-I269 WeakPolarHBondContact O-CG1 3.2Å; T265-I269 PolarHBondContact O-N 3.28Å |
| 266 | Q | 88.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -53.6 | -44.7 | 168.6 | -76.3 | 176.6 | -1.7 | 0 | 0 | 112 | Y159 L210 F240 F245 I262 F264 L270 | Y159-Q266 PolarHBondContact OH-NE2 3.35Å; L210-Q266 HydrophobicContact CD1-CG 4.13Å; L210-Q266 HydrophobicContact CD2-CG 3.98Å; F240-Q266 HydrophobicContact CD1-CG 4.09Å; F240-Q266 HydrophobicContact CD2-CB 4.05Å; F240-Q266 HydrophobicContact CD2-CG 4.34Å; F240-Q266 HydrophobicContact CE1-CG 4.03Å; F240-Q266 HydrophobicContact CE2-CB 4.03Å; F240-Q266 HydrophobicContact CE2-CG 4.27Å; F240-Q266 VanDerWaalsContact CE2-O 3.29Å; F240-Q266 WeakPolarHBondContact CE2-O 3.37Å; F240-Q266 HydrophobicContact CG-CB 4.38Å; F240-Q266 HydrophobicContact CG-CG 4.26Å; F240-Q266 HydrophobicContact CZ-CB 4.36Å; F240-Q266 HydrophobicContact CZ-CG 4.12Å; F245-Q266 VanDerWaalsContact CA-OE1 3.24Å; F245-Q266 PolarHBondContact O-OE1 3.01Å; I262-Q266 WeakPolarHBondContact O-CB 3.37Å; I262-Q266 VanDerWaalsContact O-CG 3.3Å; I262-Q266 WeakPolarHBondContact O-CG 3.38Å; I262-Q266 PolarHBondContact O-N 3.18Å; F264-Q266 PolarHBondContact O-N 3.24Å; Q266-L270 PolarHBondContact O-N 3.01Å; Q266-L270 VanDerWaalsContact O-N 3.11Å |
| 267 | T | 87.1 | Confident | 80.6 | Confident | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.006 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.6 | -45.9 | 179 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | C263 F264 T265 I269 L270 I271 P349 L350 | C263-T267 PolarHBondContact O-N 3.22Å; C263-T267 PolarHBondContact O-OG1 3Å; F264-T267 WeakPolarHBondContact O-CA 3.32Å; F264-T267 VanDerWaalsContact O-CB 3.3Å; F264-T267 WeakPolarHBondContact O-CB 3.35Å; F264-T267 PolarHBondContact O-N 2.94Å; T265-T267 VanDerWaalsContact C-N 3.27Å; T265-T267 PolarHBondContact O-N 3Å; T267-I269 PolarHBondContact O-N 3.29Å; T267-L270 PolarHBondContact O-N 3.47Å; T267-I271 HydrophobicContact CG2-CD1 3.91Å; T267-I271 WeakPolarHBondContact O-CG1 3.48Å; T267-I271 PolarHBondContact O-N 2.75Å; T267-P349 HydrophobicContact CG2-CB 4.11Å; T267-L350 HydrophobicContact CG2-CB 3.64Å; T267-L350 HydrophobicContact CG2-CD1 4.24Å; T267-L350 HydrophobicContact CG2-CG 4.47Å |
| 268 | L | 86.1 | Confident | 81.1 | Confident | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.4 | -39.9 | 178.2 | -66.6 | 168.4 | 0 | 0 | 0 | 112.9 | L214 F264 T265 L270 I271 R272 T453 A456 V457 | L214-L268 HydrophobicContact CD1-CB 4.28Å; F264-L268 HydrophobicContact CD1-CD1 3.91Å; F264-L268 HydrophobicContact CD2-CD1 4.47Å; F264-L268 HydrophobicContact CD2-CG 4.43Å; F264-L268 HydrophobicContact CE1-CD1 3.64Å; F264-L268 HydrophobicContact CE1-CG 4.45Å; F264-L268 HydrophobicContact CE2-CD1 4.2Å; F264-L268 HydrophobicContact CE2-CD2 4.19Å; F264-L268 HydrophobicContact CE2-CG 4.14Å; F264-L268 HydrophobicContact CG-CD1 4.33Å; F264-L268 HydrophobicContact CZ-CD1 3.79Å; F264-L268 HydrophobicContact CZ-CD2 4.11Å; F264-L268 HydrophobicContact CZ-CG 4.16Å; F264-L268 WeakPolarHBondContact O-CG 3.11Å; F264-L268 PolarHBondContact O-N 2.89Å; T265-L268 PolarHBondContact O-N 2.98Å; L268-L270 VanDerWaalsContact C-N 3.34Å; L268-I271 PolarHBondContact O-N 3.09Å; L268-R272 PolarHBondContact O-N 3.37Å; L268-T453 HydrophobicContact CD1-CG2 3.49Å; L268-T453 VanDerWaalsContact CD1-CG2 3.49Å; L268-A456 HydrophobicContact CB-CB 4.46Å; L268-A456 HydrophobicContact CD2-CB 4.11Å; L268-V457 HydrophobicContact CD2-CG2 3.65Å |
| 269 | I | 86.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 174.1 | -67.5 | 160 | 0 | 0 | 0 | 110.4 | L210 I213 L214 V217 V236 F240 T265 T267 R272 A273 | L210-I269 HydrophobicContact CB-CD1 4.03Å; L210-I269 HydrophobicContact CD2-CD1 3.52Å; L210-I269 HydrophobicContact CG-CD1 4.38Å; L210-I269 WeakPolarHBondContact O-CD1 3.38Å; I213-I269 HydrophobicContact CB-CD1 4.14Å; I213-I269 HydrophobicContact CG2-CD1 3.99Å; I213-I269 HydrophobicContact CG2-CG1 4.35Å; I213-I269 HydrophobicContact CG2-CG2 3.75Å; L214-I269 HydrophobicContact CB-CD1 4.44Å; L214-I269 HydrophobicContact CB-CG1 3.73Å; L214-I269 HydrophobicContact CD1-CG1 3.97Å; L214-I269 HydrophobicContact CG-CG1 4.43Å; V217-I269 HydrophobicContact CG2-CG2 4.31Å; V236-I269 HydrophobicContact CG1-CG2 3.91Å; V236-I269 HydrophobicContact CG2-CG2 4.49Å; F240-I269 HydrophobicContact CE2-CB 3.96Å; F240-I269 HydrophobicContact CE2-CD1 4.35Å; F240-I269 HydrophobicContact CE2-CG2 3.85Å; F240-I269 HydrophobicContact CZ-CB 4.28Å; F240-I269 HydrophobicContact CZ-CD1 3.9Å; F240-I269 HydrophobicContact CZ-CG2 4.04Å; T265-I269 HydrophobicContact CG2-CD1 4.12Å; T265-I269 HydrophobicContact CG2-CG1 4.41Å; T265-I269 WeakPolarHBondContact O-CD1 2.99Å; T265-I269 WeakPolarHBondContact O-CG1 3.2Å; T265-I269 PolarHBondContact O-N 3.28Å; T267-I269 PolarHBondContact O-N 3.29Å; I269-R272 PolarHBondContact O-N 2.86Å; I269-A273 VanDerWaalsContact O-CB 3.24Å; I269-A273 WeakPolarHBondContact O-CB 3.17Å; I269-A273 PolarHBondContact O-N 3.47Å |
| 270 | L | 87.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63 | -43.8 | 179.2 | -168.5 | 74.7 | 0 | 0 | 0 | 111.4 | F233 V236 L237 F245 Q266 T267 L268 A273 A274 L334 L350 F353 | F233-L270 HydrophobicContact CD2-CD1 4.29Å; F233-L270 HydrophobicContact CE2-CD1 3.79Å; F233-L270 HydrophobicContact CE2-CG 3.96Å; F233-L270 HydrophobicContact CZ-CD1 4.38Å; V236-L270 HydrophobicContact CG1-CD1 3.86Å; L237-L270 HydrophobicContact CB-CD1 3.98Å; L237-L270 HydrophobicContact CD1-CD1 4.14Å; L237-L270 HydrophobicContact CD1-CD2 4.36Å; F245-L270 HydrophobicContact CE1-CD2 4.42Å; Q266-L270 PolarHBondContact O-N 3.01Å; Q266-L270 VanDerWaalsContact O-N 3.11Å; T267-L270 PolarHBondContact O-N 3.47Å; L268-L270 VanDerWaalsContact C-N 3.34Å; L270-A273 PolarHBondContact O-N 3.05Å; L270-A274 PolarHBondContact O-N 3.35Å; L270-A274 VanDerWaalsContact O-N 3.15Å; L270-L334 HydrophobicContact CD2-CD1 4.07Å; L270-L350 HydrophobicContact CD2-CD1 3.46Å; L270-L350 VanDerWaalsContact CD2-CD1 3.46Å; L270-F353 HydrophobicContact CD2-CD1 4.1Å; L270-F353 HydrophobicContact CD2-CE1 3.78Å; L270-F353 HydrophobicContact CG-CE1 4.01Å |
| 271 | I | 87.1 | Confident | 81.1 | Confident | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.2 | -47.2 | 176.8 | -63.5 | 160.9 | 0 | 0 | 0 | 111 | T267 L268 A273 A274 L276 F353 A456 L460 | T267-I271 HydrophobicContact CG2-CD1 3.91Å; T267-I271 WeakPolarHBondContact O-CG1 3.48Å; T267-I271 PolarHBondContact O-N 2.75Å; L268-I271 PolarHBondContact O-N 3.09Å; I271-A273 PolarHBondContact O-N 3.05Å; I271-A274 VanDerWaalsContact O-CB 3.23Å; I271-A274 WeakPolarHBondContact O-CB 3.49Å; I271-A274 PolarHBondContact O-N 3.24Å; I271-L276 HydrophobicContact CG2-CD1 4.31Å; I271-F353 HydrophobicContact CB-CD2 4.29Å; I271-F353 HydrophobicContact CD1-CB 4.41Å; I271-F353 HydrophobicContact CG1-CB 3.98Å; I271-F353 HydrophobicContact CG1-CD1 4.48Å; I271-F353 HydrophobicContact CG1-CD2 3.68Å; I271-F353 HydrophobicContact CG1-CE2 4.31Å; I271-F353 HydrophobicContact CG1-CG 3.78Å; I271-F353 HydrophobicContact CG2-CD2 4.33Å; I271-A456 HydrophobicContact CG2-CB 4.37Å; I271-A456 WeakPolarHBondContact CG2-O 3.45Å; I271-L460 HydrophobicContact CD1-CD2 4.03Å; I271-L460 HydrophobicContact CG2-CB 4.09Å |
| 272 | R | 85.5 | Confident | 80.8 | Confident | 5 Ų | 5 | 13.1 Ų | 13.1 | 2% | 0.019 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -69.9 | -32.7 | 179.9 | -166.5 | 66.2 | -170.8 | 135.6 | 8 | 112.5 | V217 H218 S221 L268 I269 A274 N275 D277 A456 D459 | V217-R272 HydrophobicContact CG1-CB 4.18Å; V217-R272 HydrophobicContact CG1-CG 4.28Å; H218-R272 HydrophobicContact CB-CG 4.1Å; H218-R272 PolarHBondContact ND1-NE 2.96Å; S221-R272 PolarHBondContact OG-NE 2.77Å; S221-R272 VanDerWaalsContact OG-NE 3.12Å; S221-R272 PolarHBondContact OG-NH2 3.41Å; L268-R272 PolarHBondContact O-N 3.37Å; I269-R272 PolarHBondContact O-N 2.86Å; R272-A274 PolarHBondContact O-N 3.17Å; R272-N275 PolarHBondContact O-N 3.11Å; R272-D277 IonicContact CZ-OD2 3.06Å; R272-D277 VanDerWaalsContact NH1-CG 3.29Å; R272-D277 IonicContact NH1-OD1 3.29Å; R272-D277 IonicContact NH1-OD2 3.34Å; R272-D277 PolarHBondContact NH1-OD2 3.32Å; R272-D277 IonicContact NH2-OD2 2.7Å; R272-D277 PolarHBondContact NH2-OD2 3.24Å; R272-A456 HydrophobicContact CB-CB 4.11Å; R272-D459 WeakPolarHBondContact CD-OD2 3.17Å; R272-D459 IonicContact CZ-OD2 2.7Å; R272-D459 IonicContact NE-OD2 2.65Å; R272-D459 IonicContact NH1-OD1 2.75Å; R272-D459 IonicContact NH1-OD2 2.99Å; R272-D459 PolarHBondContact NH1-OD2 3.46Å |
| 273 | A | 84.2 | Confident | 80.1 | Confident | 6 Ų | 6 | 15.5 Ų | 15.5 | 5% | 0.05 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.3 | -26 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V217 F233 V236 I269 L270 I271 N275 | V217-A273 HydrophobicContact CG1-CB 3.8Å; F233-A273 HydrophobicContact CD2-CB 4.15Å; V236-A273 HydrophobicContact CG2-CB 4.43Å; I269-A273 VanDerWaalsContact O-CB 3.24Å; I269-A273 WeakPolarHBondContact O-CB 3.17Å; I269-A273 PolarHBondContact O-N 3.47Å; L270-A273 PolarHBondContact O-N 3.05Å; I271-A273 PolarHBondContact O-N 3.05Å; A273-N275 PolarHBondContact O-N 3.15Å |
| 274 | A | 81.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -14.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F233 L270 I271 R272 L276 H323 F324 F353 | F233-A274 HydrophobicContact CD2-CB 3.95Å; F233-A274 HydrophobicContact CE2-CB 3.79Å; L270-A274 PolarHBondContact O-N 3.35Å; L270-A274 VanDerWaalsContact O-N 3.15Å; I271-A274 VanDerWaalsContact O-CB 3.23Å; I271-A274 WeakPolarHBondContact O-CB 3.49Å; I271-A274 PolarHBondContact O-N 3.24Å; R272-A274 PolarHBondContact O-N 3.17Å; A274-L276 HydrophobicContact CB-CD2 3.88Å; A274-L276 HydrophobicContact CB-CG 4.16Å; A274-L276 PolarHBondContact O-N 2.89Å; A274-H323 VanDerWaalsContact C-NE2 3.33Å; A274-H323 PolarHBondContact O-CE1 3.1Å; A274-H323 PolarHBondContact O-NE2 2.93Å; A274-F324 HydrophobicContact CB-CD1 4.44Å; A274-F324 HydrophobicContact CB-CE1 3.6Å; A274-F324 HydrophobicContact CB-CZ 3.98Å; A274-F324 WeakPolarHBondContact O-CE1 3.45Å; A274-F353 HydrophobicContact CB-CE2 3.57Å; A274-F353 HydrophobicContact CB-CZ 3.54Å |
| 275 | N | 81.1 | Confident | 76.8 | Confident | 28 Ų | 28 | 27.6 Ų | 27.6 | 15% | 0.15 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 48.6 | 173.6 | -154.1 | 109 | 0 | 0 | 0 | 113.1 | S221 R272 A273 D277 S278 H323 | S221-N275 WeakPolarHBondContact CA-OD1 3.37Å; S221-N275 WeakPolarHBondContact CB-OD1 3.45Å; R272-N275 PolarHBondContact O-N 3.11Å; A273-N275 PolarHBondContact O-N 3.15Å; N275-D277 PolarHBondContact ND2-OD1 3.01Å; N275-D277 PolarHBondContact O-N 2.94Å; N275-S278 PolarHBondContact O-N 3.46Å; N275-H323 PolarHBondContact O-NE2 2.97Å |
| 276 | L | 79.9 | Confident | 74.9 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -6.3 | -177 | -49.1 | 178.6 | 0 | 0 | 0 | 113.6 | I271 A274 S278 F282 F324 F353 D459 L463 | I271-L276 HydrophobicContact CG2-CD1 4.31Å; A274-L276 HydrophobicContact CB-CD2 3.88Å; A274-L276 HydrophobicContact CB-CG 4.16Å; A274-L276 PolarHBondContact O-N 2.89Å; L276-S278 PolarHBondContact O-N 2.93Å; L276-F282 WeakPolarHBondContact O-CE2 3.34Å; L276-F324 HydrophobicContact CD2-CE1 4.25Å; L276-F353 HydrophobicContact CD1-CD2 4.24Å; L276-F353 HydrophobicContact CD1-CE2 4.1Å; L276-F353 HydrophobicContact CD2-CE2 4.38Å; L276-D459 HydrophobicContact CB-CB 4.22Å; L276-L463 HydrophobicContact CB-CD2 4.28Å; L276-L463 HydrophobicContact CD1-CD2 4.2Å; L276-L463 HydrophobicContact CD2-CD2 3.98Å; L276-L463 HydrophobicContact CG-CD2 4.38Å |
| 277 | D | 75.5 | Confident | 72.6 | Confident | 34 Ų | 34 | 36.5 Ų | 36.5 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 2.6 | 172.3 | 58.9 | -5.9 | 0 | 0 | 0 | 113.8 | R272 N275 I279 | R272-D277 IonicContact CZ-OD2 3.06Å; R272-D277 VanDerWaalsContact NH1-CG 3.29Å; R272-D277 IonicContact NH1-OD1 3.29Å; R272-D277 IonicContact NH1-OD2 3.34Å; R272-D277 PolarHBondContact NH1-OD2 3.32Å; R272-D277 IonicContact NH2-OD2 2.7Å; R272-D277 PolarHBondContact NH2-OD2 3.24Å; N275-D277 PolarHBondContact ND2-OD1 3.01Å; N275-D277 PolarHBondContact O-N 2.94Å; D277-I279 PolarHBondContact O-N 3.37Å |
| 278 | S | 75.3 | Confident | 70.4 | Confident | 18 Ų | 18 | 42.5 Ų | 42.5 | 13% | 0.126 | 23% | 0.233 | C | C | . | . | trans | -61.4 | 126.1 | 176.6 | -178.6 | 0 | 0 | 0 | 0 | 112.2 | N275 L276 V280 L281 | N275-S278 PolarHBondContact O-N 3.46Å; L276-S278 PolarHBondContact O-N 2.93Å; S278-V280 PolarHBondContact O-N 3.32Å; S278-V280 VanDerWaalsContact O-N 3.11Å; S278-L281 WeakPolarHBondContact O-CB 3.13Å; S278-L281 PolarHBondContact O-N 3.17Å | ||
| 279 | I | 68.5 | Low | 68.1 | Low | 82 Ų | 82 | 47.2 Ų | 47.2 | 42% | 0.421 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -60.5 | -25.7 | -177.6 | -163.8 | 166.3 | 0 | 0 | 0 | 113.6 | D277 L281 F282 S283 | D277-I279 PolarHBondContact O-N 3.37Å; I279-L281 PolarHBondContact O-N 3.08Å; I279-F282 PolarHBondContact O-N 3.35Å; I279-S283 PolarHBondContact O-N 3.38Å; I279-S283 PolarHBondContact O-OG 3.38Å |
| 280 | V | 71.1 | Confident | 65.7 | Low | 48 Ų | 48 | 55.9 Ų | 55.9 | 29% | 0.291 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -59.7 | -25.3 | 175.9 | -174.9 | 0 | 0 | 0 | 0 | 111.9 | S278 S283 L287 Y326 | S278-V280 PolarHBondContact O-N 3.32Å; S278-V280 VanDerWaalsContact O-N 3.11Å; V280-S283 PolarHBondContact O-OG 3.07Å; V280-L287 HydrophobicContact CG1-CD1 4.12Å; V280-Y326 HydrophobicContact CG1-CE2 4.26Å |
| 281 | L | 72.8 | Confident | 63.1 | Low | 9 Ų | 9 | 59.5 Ų | 59.5 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -84.1 | -13.8 | 177.5 | -53.6 | -178.8 | 0 | 0 | 0 | 113.4 | S278 I279 L325 L463 R466 | S278-L281 WeakPolarHBondContact O-CB 3.13Å; S278-L281 PolarHBondContact O-N 3.17Å; I279-L281 PolarHBondContact O-N 3.08Å; L281-L325 HydrophobicContact CD1-CD1 4.23Å; L281-L325 HydrophobicContact CD2-CD1 3.9Å; L281-L463 HydrophobicContact CB-CD1 4.29Å; L281-L463 HydrophobicContact CD1-CD2 4.35Å; L281-R466 WeakPolarHBondContact O-CD 3.18Å; L281-R466 PolarHBondContact O-NE 3.23Å; L281-R466 PolarHBondContact O-NH1 3.15Å; L281-R466 PolarHBondContact O-NH2 3.24Å |
| 282 | F | 70.7 | Confident | 60.3 | Low | 31 Ų | 31 | 66.1 Ų | 66.1 | 14% | 0.136 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -14.7 | -178.5 | -66 | -84 | 0 | 0 | 0 | 113.5 | L276 I279 N284 L463 R466 R542 | L276-F282 WeakPolarHBondContact O-CE2 3.34Å; I279-F282 PolarHBondContact O-N 3.35Å; F282-N284 PolarHBondContact O-N 3.41Å; F282-L463 HydrophobicContact CZ-CD1 4.49Å; F282-R466 HydrophobicContact CE1-CB 4.49Å; F282-R542 HydrophobicContact CD1-CG 4.39Å; F282-R542 HydrophobicContact CD2-CG 4.18Å; F282-R542 HydrophobicContact CE1-CB 4.34Å; F282-R542 HydrophobicContact CE1-CG 4.15Å; F282-R542 HydrophobicContact CE2-CG 3.92Å; F282-R542 HydrophobicContact CG-CG 4.41Å; F282-R542 HydrophobicContact CZ-CB 4.44Å; F282-R542 HydrophobicContact CZ-CG 3.92Å |
| 283 | S | 64.2 | Low | 57.6 | Low | 49 Ų | 49 | 71.6 Ų | 71.6 | 34% | 0.343 | 40% | 0.398 | S | S | . | . | trans | -74 | 111.7 | 173.1 | 54.8 | 0 | 0 | 0 | 0 | 111.4 | I279 V280 Q285 | I279-S283 PolarHBondContact O-N 3.38Å; I279-S283 PolarHBondContact O-OG 3.38Å; V280-S283 PolarHBondContact O-OG 3.07Å; S283-Q285 PolarHBondContact O-N 3Å | ||
| 284 | N | 51 | Low | 55 | Low | 130 Ų | 130 | 81.7 Ų | 81.7 | 70% | 0.695 | 44% | 0.436 | S | S | * | . | trans | -75.6 | 5.8 | 173.5 | -70.8 | -9.5 | 0 | 0 | 0 | 113.9 | F282 R466 | F282-N284 PolarHBondContact O-N 3.41Å; N284-R466 PolarHBondContact OD1-NH2 2.65Å | ||
| 285 | Q | 45.5 | Very low | 52.4 | Low | 129 Ų | 129 | 93.8 Ų | 93.8 | 60% | 0.603 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -89.6 | 124.8 | 169 | -72.8 | 173.7 | -28.9 | 0 | 0 | 109.3 | S283 | S283-Q285 PolarHBondContact O-N 3Š|
| 286 | S | 42.5 | Very low | 50 | Low | 76 Ų | 76 | 102.4 Ų | 102.4 | 53% | 0.531 | 51% | 0.512 | S | S | . | . | trans | -58.6 | 138.7 | 167.7 | 43.6 | 0 | 0 | 0 | 0 | 110.3 | D288 D289 | S286-D288 PolarHBondContact O-N 3.47Å; S286-D289 PolarHBondContact O-N 3.49Å | ||
| 287 | L | 40.1 | Very low | 47.5 | Very low | 118 Ų | 118 | 108.2 Ų | 108.2 | 62% | 0.618 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -55.7 | -17.3 | -174 | -90.7 | 158.1 | 0 | 0 | 0 | 115.1 | V280 D289 F290 | V280-L287 HydrophobicContact CG1-CD1 4.12Å; L287-D289 VanDerWaalsContact C-N 3.33Å; L287-D289 PolarHBondContact O-N 3.04Å; L287-F290 PolarHBondContact O-N 3.06Å |
| 288 | D | 40.2 | Very low | 45.2 | Very low | 127 Ų | 127 | 115 Ų | 115 | 68% | 0.679 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -62.7 | -29.9 | -179.6 | -59.9 | -57.1 | 0 | 0 | 0 | 114.5 | S286 F290 A291 | S286-D288 PolarHBondContact O-N 3.47Å; D288-F290 PolarHBondContact O-N 3.12Å; D288-A291 VanDerWaalsContact O-CB 3.28Å; D288-A291 WeakPolarHBondContact O-CB 3.27Å; D288-A291 PolarHBondContact O-N 3.3Å |
| 289 | D | 37.7 | Very low | 43 | Very low | 100 Ų | 100 | 122.6 Ų | 122.6 | 54% | 0.535 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -69.6 | -19.3 | -176.6 | -94.7 | -23.4 | 0 | 0 | 0 | 113.5 | S286 L287 A291 | S286-D289 PolarHBondContact O-N 3.49Å; L287-D289 VanDerWaalsContact C-N 3.33Å; L287-D289 PolarHBondContact O-N 3.04Å; D289-A291 PolarHBondContact O-N 2.8Å |
| 290 | F | 37.2 | Very low | 41 | Very low | 182 Ų | 182 | 123.6 Ų | 123.6 | 80% | 0.798 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -73.5 | -4.7 | 171.8 | -85.5 | -86.2 | 0 | 0 | 0 | 113.6 | L287 D288 | L287-F290 PolarHBondContact O-N 3.06Å; D288-F290 PolarHBondContact O-N 3.12Å |
| 291 | A | 32.9 | Very low | 39 | Very low | 77 Ų | 77 | 129.1 Ų | 129.1 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -90.3 | 5 | 180 | 0 | 0 | 0 | 0 | 0 | 115 | D288 D289 P293 | D288-A291 VanDerWaalsContact O-CB 3.28Å; D288-A291 WeakPolarHBondContact O-CB 3.27Å; D288-A291 PolarHBondContact O-N 3.3Å; D289-A291 PolarHBondContact O-N 2.8Å; A291-P293 WeakPolarHBondContact O-CD 3.39Å |
| 292 | L | 27.8 | Very low | 37 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | trans | -100.7 | 97 | -178.4 | -76.3 | 175.1 | 0 | 0 | 0 | 113.6 | Y294 | L292-Y294 PolarHBondContact O-N 3.48Š| ||
| 293 | P | 30.7 | Very low | 35.1 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | trans | -70.8 | 119.7 | 175 | 28.5 | -34.8 | 0 | 0 | 0 | 112 | A291 R295 | A291-P293 WeakPolarHBondContact O-CD 3.39Å; P293-R295 PolarHBondContact O-N 3.34Å | ||
| 294 | Y | 28.6 | Very low | 33.5 | Very low | 217 Ų | 217 | 142.5 Ų | 142.5 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -1.5 | 87.8 | 166.5 | -108.4 | -86.3 | 0 | 0 | 0 | 116.8 | L292 R296 | L292-Y294 PolarHBondContact O-N 3.48Å; Y294-R296 HydrophobicContact CD1-CG 4.49Å; Y294-R296 PolarHBondContact O-N 3.08Å | ||
| 295 | R | 28.4 | Very low | 32.6 | Very low | 254 Ų | 254 | 146.1 Ų | 146.1 | 96% | 0.958 | 77% | 0.767 | S | S | * | * | trans | -77.1 | 75.4 | 169.4 | -128.7 | -175.8 | -166.9 | -170.5 | 6.4 | 110.6 | P293 S297 | P293-R295 PolarHBondContact O-N 3.34Å; R295-S297 PolarHBondContact O-N 3.43Å | ||
| 296 | R | 30 | Very low | 31.9 | Very low | 209 Ų | 209 | 145.7 Ų | 145.7 | 79% | 0.789 | 78% | 0.778 | S | S | * | * | trans | -50.8 | 118.8 | 177.7 | -89 | -176.7 | 169.6 | 172.2 | -1.3 | 111.9 | Y294 K298 | Y294-R296 HydrophobicContact CD1-CG 4.49Å; Y294-R296 PolarHBondContact O-N 3.08Å; R296-K298 VanDerWaalsContact C-N 3.32Å; R296-K298 PolarHBondContact O-N 3.06Å | ||
| 297 | S | 27.2 | Very low | 31.3 | Very low | 123 Ų | 123 | 151.1 Ų | 151.1 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -76.4 | 78.9 | 161.3 | 44.6 | 0 | 0 | 0 | 0 | 110.7 | R295 | R295-S297 PolarHBondContact O-N 3.43Š| ||
| 298 | K | 28 | Very low | 30.8 | Very low | 176 Ų | 176 | 153.1 Ų | 153.1 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | trans | -127.1 | 107.9 | 163.3 | -86.2 | -165.1 | 172.7 | -176.4 | 0 | 111.7 | R296 S300 | R296-K298 VanDerWaalsContact C-N 3.32Å; R296-K298 PolarHBondContact O-N 3.06Å; K298-S300 PolarHBondContact O-N 3.32Å | ||
| 299 | I | 28.4 | Very low | 30.4 | Very low | 178 Ų | 178 | 151.7 Ų | 151.7 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | -77.5 | 98.7 | 165.1 | -61.6 | 172.7 | 0 | 0 | 0 | 107.8 | ||||
| 300 | S | 27.2 | Very low | 30.1 | Very low | 103 Ų | 103 | 152.2 Ų | 152.2 | 72% | 0.72 | 82% | 0.82 | S | S | * | * | trans | -162.1 | 136.7 | 153.1 | -21.8 | 0 | 0 | 0 | 0 | 109.5 | K298 | K298-S300 PolarHBondContact O-N 3.32Š| ||
| 301 | N | 27.3 | Very low | 29.7 | Very low | 164 Ų | 164 | 152.4 Ų | 152.4 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | trans | -84.1 | 148.5 | 177.1 | -61.7 | -48 | 0 | 0 | 0 | 111.5 | ||||
| 302 | V | 31.9 | Very low | 29.5 | Very low | 149 Ų | 149 | 156.1 Ų | 156.1 | 90% | 0.903 | 83% | 0.833 | S | S | * | * | -178.6 | 149.3 | 115.1 | 148.9 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 303 | A | 29.5 | Very low | 29.6 | Very low | 97 Ų | 97 | 155.7 Ų | 155.7 | 80% | 0.802 | 84% | 0.836 | S | S | * | * | trans | -119.1 | 150.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 304 | S | 31.8 | Very low | 29.7 | Very low | 124 Ų | 124 | 158.3 Ų | 158.3 | 87% | 0.867 | 84% | 0.842 | S | S | * | * | trans | -152.9 | 170.4 | 159.5 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 305 | K | 31.2 | Very low | 29.8 | Very low | 206 Ų | 206 | 153 Ų | 153 | 90% | 0.896 | 84% | 0.836 | S | S | * | * | trans | -136.9 | 132.1 | -166.1 | -69.1 | 174.7 | 175.8 | 172.9 | 0 | 114.2 | ||||
| 306 | S | 31.4 | Very low | 30 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -178.9 | 134.7 | 150.9 | 44.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 307 | K | 30.2 | Very low | 30.5 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | cis | 91.1 | 118.8 | 10.6 | -142.3 | -163.7 | -178 | -171.7 | 0 | 116.5 | ||||
| 308 | L | 29.3 | Very low | 30.8 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | 69.5 | 150.5 | -175.1 | -67.8 | 103 | 0 | 0 | 0 | 114.9 | ||||
| 309 | A | 31.4 | Very low | 31.4 | Very low | 97 Ų | 97 | 144 Ų | 144 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | cis | -132.9 | 176.2 | 3.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 310 | S | 31.6 | Very low | 32.4 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | -110.7 | 146.8 | -177.6 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 311 | E | 28.9 | Very low | 33.5 | Very low | 186 Ų | 186 | 139 Ų | 139 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -152 | 158.8 | 149.4 | -134.4 | 161.4 | -138.3 | 0 | 0 | 113.8 | ||||
| 312 | N | 29.5 | Very low | 35 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -70.8 | 127.2 | -156 | -52.8 | -60.3 | 0 | 0 | 0 | 115.8 | ||||
| 313 | T | 29.1 | Very low | 37 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | trans | -133.9 | 142.7 | 140.9 | 43.3 | 0 | 0 | 0 | 0 | 109.9 | S315 | T313-S315 PolarHBondContact O-N 2.89Å; T313-S315 VanDerWaalsContact O-N 3.1Å | ||
| 314 | I | 32.9 | Very low | 39.4 | Very low | 175 Ų | 175 | 124.8 Ų | 124.8 | 90% | 0.897 | 70% | 0.696 | S | S | * | * | trans | -81.7 | 89.3 | 177.1 | -60.4 | 169.8 | 0 | 0 | 0 | 107.5 | S316 | I314-S316 PolarHBondContact O-N 3.07Å; I314-S316 VanDerWaalsContact O-N 3.13Å | ||
| 315 | S | 30 | Very low | 41.3 | Very low | 105 Ų | 105 | 119.1 Ų | 119.1 | 73% | 0.734 | 66% | 0.656 | S | S | * | * | trans | -71.2 | 103 | 165.6 | 58.4 | 0 | 0 | 0 | 0 | 108.7 | T313 K317 | T313-S315 PolarHBondContact O-N 2.89Å; T313-S315 VanDerWaalsContact O-N 3.1Å; S315-K317 PolarHBondContact O-N 3.4Å | ||
| 316 | S | 34.3 | Very low | 43.4 | Very low | 92 Ų | 92 | 113.4 Ų | 113.4 | 64% | 0.643 | 63% | 0.629 | S | S | * | * | trans | -49.6 | 135.5 | 153.3 | 46.1 | 0 | 0 | 0 | 0 | 108.2 | I314 D318 | I314-S316 PolarHBondContact O-N 3.07Å; I314-S316 VanDerWaalsContact O-N 3.13Å; S316-D318 PolarHBondContact O-N 3.5Å | ||
| 317 | K | 38.9 | Very low | 45.5 | Very low | 197 Ų | 197 | 110.5 Ų | 110.5 | 86% | 0.857 | 61% | 0.605 | S | S | * | * | trans | -61.4 | 109.8 | 165.1 | -76 | -175.6 | 176.1 | -177.2 | 0 | 106.5 | S315 E319 | S315-K317 PolarHBondContact O-N 3.4Å; K317-E319 VanDerWaalsContact C-N 3.29Å; K317-E319 PolarHBondContact O-N 2.9Å | ||
| 318 | D | 33.9 | Very low | 47.5 | Very low | 113 Ų | 113 | 103.9 Ų | 103.9 | 60% | 0.604 | 58% | 0.582 | S | S | * | * | trans | -71.9 | 91.7 | 176.2 | -132.9 | 7.6 | 0 | 0 | 0 | 106.3 | K227 S316 V320 | K227-D318 IonicContact NZ-OD1 3.61Å; K227-D318 PolarHBondContact NZ-OD1 3.42Å; K227-D318 IonicContact NZ-OD2 2.71Å; K227-D318 PolarHBondContact NZ-OD2 2.81Å; S316-D318 PolarHBondContact O-N 3.5Å; D318-V320 PolarHBondContact O-N 3.04Å | ||
| 319 | E | 41.6 | Very low | 49.9 | Very low | 171 Ų | 171 | 102 Ų | 102 | 80% | 0.799 | 57% | 0.573 | S | S | * | * | trans | -61 | 122.4 | 176.4 | -68.8 | -177.1 | 151.5 | 0 | 0 | 108.1 | K317 P321 | K317-E319 VanDerWaalsContact C-N 3.29Å; K317-E319 PolarHBondContact O-N 2.9Å; E319-P321 VanDerWaalsContact O-CD 3.29Å; E319-P321 WeakPolarHBondContact O-CD 3.36Å; E319-P321 VanDerWaalsContact O-N 3.13Å | ||
| 320 | V | 47.8 | Very low | 52.2 | Low | 130 Ų | 130 | 98 Ų | 98 | 79% | 0.788 | 54% | 0.538 | S | S | * | . | trans | -61.1 | 116.7 | 179 | 179.2 | 0 | 0 | 0 | 0 | 107.2 | D318 T322 | D318-V320 PolarHBondContact O-N 3.04Å; V320-T322 PolarHBondContact O-N 3.25Å | ||
| 321 | P | 50.3 | Low | 54.5 | Low | 45 Ų | 45 | 92.6 Ų | 92.6 | 29% | 0.292 | 50% | 0.501 | S | S | . | . | trans | -70 | 107.9 | -171.2 | -10.5 | 22.6 | 0 | 0 | 0 | 109.7 | I226 K227 E319 | I226-P321 HydrophobicContact CG2-CB 4.31Å; I226-P321 HydrophobicContact CG2-CG 4.47Å; K227-P321 HydrophobicContact CB-CG 4.15Å; K227-P321 HydrophobicContact CG-CG 3.65Å; E319-P321 VanDerWaalsContact O-CD 3.29Å; E319-P321 WeakPolarHBondContact O-CD 3.36Å; E319-P321 VanDerWaalsContact O-N 3.13Å | ||
| 322 | T | 59.9 | Low | 56.8 | Low | 92 Ų | 92 | 86.6 Ų | 86.6 | 56% | 0.564 | 48% | 0.475 | S | S | * | . | trans | -67.2 | 136.3 | 173.9 | 52 | 0 | 0 | 0 | 0 | 109.8 | V320 | V320-T322 PolarHBondContact O-N 3.25Š| ||
| 323 | H | 74.7 | Confident | 59.4 | Low | 20 Ų | 20 | 83.8 Ų | 83.8 | 9% | 0.093 | 45% | 0.452 | C | S | . | . | trans | -55 | 149.9 | 172.6 | -173.5 | -95.4 | 0 | 0 | 0 | 111.3 | A274 N275 L325 Y326 | A274-H323 VanDerWaalsContact C-NE2 3.33Å; A274-H323 PolarHBondContact O-CE1 3.1Å; A274-H323 PolarHBondContact O-NE2 2.93Å; N275-H323 PolarHBondContact O-NE2 2.97Å; H323-L325 WeakPolarHBondContact CE1-CD1 3.38Å; H323-L325 WeakPolarHBondContact CE1-CG 3.3Å; H323-L325 WeakPolarHBondContact ND1-CG 3.21Å; H323-L325 PolarHBondContact ND1-N 2.69Å; H323-L325 PolarHBondContact O-N 2.97Å; H323-Y326 HydrophobicContact CB-CD2 3.93Å; H323-Y326 HydrophobicContact CB-CE2 4Å; H323-Y326 WeakPolarHBondContact O-CD2 3.28Å; H323-Y326 PolarHBondContact O-N 3.2Å | ||
| 324 | F | 78.3 | Confident | 61.9 | Low | 1 Ų | 1 | 77.5 Ų | 77.5 | 0% | 0.004 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -59.7 | -25.9 | -168.8 | 86.6 | -85.2 | 0 | 0 | 0 | 113.6 | P230 F233 A274 L276 Y326 D327 L330 F353 | P230-F324 HydrophobicContact CB-CB 4.03Å; F233-F324 HydrophobicContact CD1-CB 4.34Å; F233-F324 AromaticContact CD1-CD2 3.77Å; F233-F324 HydrophobicContact CD1-CD2 3.77Å; F233-F324 HydrophobicContact CD1-CE2 4.24Å; F233-F324 AromaticContact CD1-CG 3.94Å; F233-F324 HydrophobicContact CD1-CG 3.94Å; F233-F324 AromaticContact CE1-CD2 3.43Å; F233-F324 HydrophobicContact CE1-CD2 3.43Å; F233-F324 VanDerWaalsContact CE1-CD2 3.43Å; F233-F324 AromaticContact CE1-CE2 3.53Å; F233-F324 HydrophobicContact CE1-CE2 3.53Å; F233-F324 HydrophobicContact CE1-CG 4.07Å; F233-F324 HydrophobicContact CE1-CZ 4.24Å; F233-F324 HydrophobicContact CE2-CZ 4.49Å; F233-F324 HydrophobicContact CZ-CD2 4.08Å; F233-F324 AromaticContact CZ-CE2 3.7Å; F233-F324 HydrophobicContact CZ-CE2 3.7Å; F233-F324 HydrophobicContact CZ-CZ 4.05Å; A274-F324 HydrophobicContact CB-CD1 4.44Å; A274-F324 HydrophobicContact CB-CE1 3.6Å; A274-F324 HydrophobicContact CB-CZ 3.98Å; A274-F324 WeakPolarHBondContact O-CE1 3.45Å; L276-F324 HydrophobicContact CD2-CE1 4.25Å; F324-Y326 PolarHBondContact O-N 2.83Å; F324-D327 PolarHBondContact O-N 3.31Å; F324-L330 HydrophobicContact CB-CD1 4.45Å; F324-F353 HydrophobicContact CZ-CZ 4.4Å |
| 325 | L | 73.3 | Confident | 64.3 | Low | 4 Ų | 4 | 69.5 Ų | 69.5 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -58.9 | -31.9 | 175.8 | -67.5 | 175.2 | 0 | 0 | 0 | 112.3 | L281 H323 D327 L331 C357 A360 F361 | L281-L325 HydrophobicContact CD1-CD1 4.23Å; L281-L325 HydrophobicContact CD2-CD1 3.9Å; H323-L325 WeakPolarHBondContact CE1-CD1 3.38Å; H323-L325 WeakPolarHBondContact CE1-CG 3.3Å; H323-L325 WeakPolarHBondContact ND1-CG 3.21Å; H323-L325 PolarHBondContact ND1-N 2.69Å; H323-L325 PolarHBondContact O-N 2.97Å; L325-D327 VanDerWaalsContact C-N 3.32Å; L325-D327 PolarHBondContact O-N 2.9Å; L325-L331 HydrophobicContact CD2-CD1 4.32Å; L325-C357 HydrophobicContact CD2-CB 3.6Å; L325-C357 WeakPolarHBondContact CD2-O 3.48Å; L325-A360 HydrophobicContact CD1-CB 4.06Å; L325-F361 WeakPolarHBondContact O-CD2 3.38Å; L325-F361 WeakPolarHBondContact O-CE2 3.27Å |
| 326 | Y | 73.4 | Confident | 66.7 | Low | 86 Ų | 86 | 67 Ų | 67 | 34% | 0.337 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -78.4 | -11.9 | 177.3 | -56.5 | -68.1 | 0 | 0 | 0 | 113.6 | V280 H323 F324 S328 | V280-Y326 HydrophobicContact CG1-CE2 4.26Å; H323-Y326 HydrophobicContact CB-CD2 3.93Å; H323-Y326 HydrophobicContact CB-CE2 4Å; H323-Y326 WeakPolarHBondContact O-CD2 3.28Å; H323-Y326 PolarHBondContact O-N 3.2Å; F324-Y326 PolarHBondContact O-N 2.83Å; Y326-S328 PolarHBondContact O-N 2.57Å |
| 327 | D | 76.1 | Confident | 69 | Low | 58 Ų | 58 | 63 Ų | 63 | 31% | 0.31 | 33% | 0.33 | S | S | . | . | trans | -87.4 | 95.1 | 166.3 | 178.8 | 12.3 | 0 | 0 | 0 | 109.8 | F324 L325 N329 L330 L331 | F324-D327 PolarHBondContact O-N 3.31Å; L325-D327 VanDerWaalsContact C-N 3.32Å; L325-D327 PolarHBondContact O-N 2.9Å; D327-N329 PolarHBondContact O-N 3.12Å; D327-N329 VanDerWaalsContact OD1-CB 3.27Å; D327-N329 WeakPolarHBondContact OD1-CB 3.31Å; D327-N329 PolarHBondContact OD1-N 3.34Å; D327-N329 PolarHBondContact OD1-ND2 2.69Å; D327-L330 HydrophobicContact CB-CB 4.22Å; D327-L330 HydrophobicContact CB-CD1 4.44Å; D327-L330 PolarHBondContact O-N 3.13Å; D327-L330 WeakPolarHBondContact OD2-CD1 3.44Å; D327-L330 WeakPolarHBondContact OD2-CG 3.25Å; D327-L331 PolarHBondContact O-N 3.32Å | ||
| 328 | S | 73.4 | Confident | 71 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.4 | -21.5 | 177.6 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | Y326 N332 | Y326-S328 PolarHBondContact O-N 2.57Å; S328-N332 VanDerWaalsContact O-CB 3.29Å; S328-N332 WeakPolarHBondContact O-CB 3.08Å; S328-N332 PolarHBondContact O-N 3.08Å; S328-N332 PolarHBondContact O-ND2 3.36Å |
| 329 | N | 78.9 | Confident | 73 | Confident | 119 Ų | 119 | 52.4 Ų | 52.4 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -74.1 | -38.9 | 174.8 | -52.1 | -83.5 | 0 | 0 | 0 | 111.4 | D327 R333 | D327-N329 PolarHBondContact O-N 3.12Å; D327-N329 VanDerWaalsContact OD1-CB 3.27Å; D327-N329 WeakPolarHBondContact OD1-CB 3.31Å; D327-N329 PolarHBondContact OD1-N 3.34Å; D327-N329 PolarHBondContact OD1-ND2 2.69Å; N329-R333 VanDerWaalsContact O-CB 3.22Å; N329-R333 WeakPolarHBondContact O-CB 3.33Å; N329-R333 PolarHBondContact O-N 2.92Å; N329-R333 VanDerWaalsContact O-N 3.13Å |
| 330 | L | 78.7 | Confident | 74.5 | Confident | 13 Ų | 13 | 51.3 Ų | 51.3 | 7% | 0.068 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.5 | -42.2 | 174.8 | -92.5 | 169.5 | 0 | 0 | 0 | 111.6 | P230 F233 K234 F324 D327 R333 L334 | P230-L330 HydrophobicContact CB-CD1 4.46Å; F233-L330 HydrophobicContact CD1-CD2 4.47Å; K234-L330 HydrophobicContact CB-CD2 3.88Å; K234-L330 HydrophobicContact CD-CD2 4.39Å; K234-L330 HydrophobicContact CG-CD2 4.01Å; F324-L330 HydrophobicContact CB-CD1 4.45Å; D327-L330 HydrophobicContact CB-CB 4.22Å; D327-L330 HydrophobicContact CB-CD1 4.44Å; D327-L330 PolarHBondContact O-N 3.13Å; D327-L330 WeakPolarHBondContact OD2-CD1 3.44Å; D327-L330 WeakPolarHBondContact OD2-CG 3.25Å; L330-R333 PolarHBondContact O-N 3.42Å; L330-L334 PolarHBondContact O-N 3.24Å |
| 331 | L | 80.3 | Confident | 75.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 176.8 | -176.6 | 62.1 | 0 | 0 | 0 | 112 | L325 D327 R333 L334 L335 C357 F361 | L325-L331 HydrophobicContact CD2-CD1 4.32Å; D327-L331 PolarHBondContact O-N 3.32Å; L331-R333 PolarHBondContact O-N 2.99Å; L331-L334 WeakPolarHBondContact O-CB 3.28Å; L331-L334 PolarHBondContact O-N 2.85Å; L331-L335 HydrophobicContact CG-CD1 4.48Å; L331-L335 WeakPolarHBondContact O-CG 3.26Å; L331-L335 PolarHBondContact O-N 3.16Å; L331-C357 HydrophobicContact CD1-CB 3.92Å; L331-F361 HydrophobicContact CD2-CB 3.6Å; L331-F361 HydrophobicContact CD2-CD1 3.67Å; L331-F361 HydrophobicContact CD2-CD2 4.25Å; L331-F361 HydrophobicContact CD2-CE1 4.4Å; L331-F361 HydrophobicContact CD2-CG 3.57Å |
| 332 | N | 78.5 | Confident | 76.4 | Confident | 60 Ų | 60 | 45.2 Ų | 45.2 | 32% | 0.321 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.5 | -35.6 | 174.9 | -82.5 | -65.2 | 0 | 0 | 0 | 112.2 | S328 L335 A336 | S328-N332 VanDerWaalsContact O-CB 3.29Å; S328-N332 WeakPolarHBondContact O-CB 3.08Å; S328-N332 PolarHBondContact O-N 3.08Å; S328-N332 PolarHBondContact O-ND2 3.36Å; N332-L335 PolarHBondContact O-N 3.25Å; N332-A336 VanDerWaalsContact O-CB 3.27Å; N332-A336 WeakPolarHBondContact O-CB 3.28Å; N332-A336 PolarHBondContact O-N 2.82Å |
| 333 | R | 82.3 | Confident | 77 | Confident | 94 Ų | 94 | 48.8 Ų | 48.8 | 36% | 0.355 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -73.9 | -30.8 | 178.5 | -167 | 166.9 | -176.9 | -170.4 | -6.2 | 113 | E238 W241 N329 L330 L331 S337 | E238-R333 IonicContact OE1-CZ 3.68Å; E238-R333 IonicContact OE1-NH1 3.78Å; E238-R333 PolarHBondContact OE1-NH1 2.94Å; E238-R333 IonicContact OE1-NH2 2.7Å; E238-R333 PolarHBondContact OE1-NH2 3.3Å; W241-R333 HydrophobicContact CE3-CG 4.4Å; W241-R333 HydrophobicContact CH2-CG 4.48Å; W241-R333 HydrophobicContact CZ3-CG 3.75Å; N329-R333 VanDerWaalsContact O-CB 3.22Å; N329-R333 WeakPolarHBondContact O-CB 3.33Å; N329-R333 PolarHBondContact O-N 2.92Å; N329-R333 VanDerWaalsContact O-N 3.13Å; L330-R333 PolarHBondContact O-N 3.42Å; L331-R333 PolarHBondContact O-N 2.99Å; R333-S337 PolarHBondContact O-N 3.16Å |
| 334 | L | 83.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.9 | -58.1 | 166.4 | 176.9 | 66.1 | 0 | 0 | 0 | 109.8 | F233 L237 L270 L330 L331 A336 S337 L338 F353 C357 | F233-L334 HydrophobicContact CZ-CD1 4.44Å; F233-L334 HydrophobicContact CZ-CD2 4.45Å; L237-L334 HydrophobicContact CD1-CD1 3.9Å; L237-L334 HydrophobicContact CD2-CB 4.23Å; L237-L334 HydrophobicContact CD2-CD1 4.48Å; L270-L334 HydrophobicContact CD2-CD1 4.07Å; L330-L334 PolarHBondContact O-N 3.24Å; L331-L334 WeakPolarHBondContact O-CB 3.28Å; L331-L334 PolarHBondContact O-N 2.85Å; L334-A336 VanDerWaalsContact C-N 3.33Å; L334-A336 PolarHBondContact O-N 2.91Å; L334-S337 WeakPolarHBondContact O-CB 3.38Å; L334-S337 PolarHBondContact O-N 3.11Å; L334-S337 PolarHBondContact O-OG 3.08Å; L334-L338 HydrophobicContact CG-CD1 4.48Å; L334-L338 WeakPolarHBondContact O-CG 3.37Å; L334-F353 HydrophobicContact CD1-CD1 4.32Å; L334-F353 HydrophobicContact CD1-CE1 3.84Å; L334-F353 HydrophobicContact CD2-CD1 4.27Å; L334-F353 HydrophobicContact CD2-CE1 3.69Å; L334-F353 HydrophobicContact CD2-CZ 4.28Å; L334-F353 HydrophobicContact CG-CE1 4.42Å; L334-C357 HydrophobicContact CD2-CB 4.09Å |
| 335 | L | 81.6 | Confident | 76.9 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.5 | -41.3 | -177 | -65.1 | 175.7 | 0 | 0 | 0 | 112.7 | L331 N332 S337 L338 A358 I395 I398 | L331-L335 HydrophobicContact CG-CD1 4.48Å; L331-L335 WeakPolarHBondContact O-CG 3.26Å; L331-L335 PolarHBondContact O-N 3.16Å; N332-L335 PolarHBondContact O-N 3.25Å; L335-S337 PolarHBondContact O-N 3.44Å; L335-L338 PolarHBondContact O-N 2.86Å; L335-A358 HydrophobicContact CD1-CB 4.29Å; L335-A358 HydrophobicContact CD2-CB 4.36Å; L335-I395 HydrophobicContact CD1-CG1 4.46Å; L335-I395 HydrophobicContact CD1-CG2 4.2Å; L335-I398 HydrophobicContact CB-CG2 4.36Å; L335-I398 HydrophobicContact CD2-CG2 4.34Å |
| 336 | A | 82.2 | Confident | 77 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 44% | 0.438 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61 | -30.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N332 L334 L338 S339 | N332-A336 VanDerWaalsContact O-CB 3.27Å; N332-A336 WeakPolarHBondContact O-CB 3.28Å; N332-A336 PolarHBondContact O-N 2.82Å; L334-A336 VanDerWaalsContact C-N 3.33Å; L334-A336 PolarHBondContact O-N 2.91Å; A336-L338 VanDerWaalsContact C-N 3.27Å; A336-L338 PolarHBondContact O-N 3.08Å; A336-S339 PolarHBondContact O-OG 3.08Å; A336-S339 VanDerWaalsContact O-OG 3.14Å |
| 337 | S | 81.6 | Confident | 77.5 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 5% | 0.049 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -73.3 | -16.2 | 176.4 | 78.8 | 0 | 0 | 0 | 0 | 114 | R333 L334 L335 | R333-S337 PolarHBondContact O-N 3.16Å; L334-S337 WeakPolarHBondContact O-CB 3.38Å; L334-S337 PolarHBondContact O-N 3.11Å; L334-S337 PolarHBondContact O-OG 3.08Å; L335-S337 PolarHBondContact O-N 3.44Å |
| 338 | L | 80.4 | Confident | 78 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -96.5 | -21 | -174.7 | -60.1 | -179.3 | 0 | 0 | 0 | 114.3 | L334 L335 A336 N340 L341 L350 L351 G354 | L334-L338 HydrophobicContact CG-CD1 4.48Å; L334-L338 WeakPolarHBondContact O-CG 3.37Å; L335-L338 PolarHBondContact O-N 2.86Å; A336-L338 VanDerWaalsContact C-N 3.27Å; A336-L338 PolarHBondContact O-N 3.08Å; L338-N340 PolarHBondContact O-N 3.29Å; L338-L341 HydrophobicContact CD2-CD1 4.07Å; L338-L341 PolarHBondContact O-N 3.42Å; L338-L350 HydrophobicContact CD2-CD1 4.13Å; L338-L350 HydrophobicContact CD2-CD2 4.06Å; L338-L350 HydrophobicContact CD2-CG 3.62Å; L338-L351 HydrophobicContact CB-CD2 4.17Å; L338-G354 VanDerWaalsContact CD1-CA 3.49Å |
| 339 | S | 76.4 | Confident | 78.6 | Confident | 88 Ų | 88 | 47.1 Ų | 47.1 | 62% | 0.615 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -21.8 | -172.8 | 58.6 | 0 | 0 | 0 | 0 | 116 | A336 | A336-S339 PolarHBondContact O-OG 3.08Å; A336-S339 VanDerWaalsContact O-OG 3.14Å |
| 340 | N | 74.1 | Confident | 79 | Confident | 148 Ų | 148 | 41.4 Ų | 41.4 | 79% | 0.791 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 7.6 | -178.9 | -63.1 | -9 | 0 | 0 | 0 | 113.4 | L338 | L338-N340 PolarHBondContact O-N 3.29Š|
| 341 | L | 71.3 | Confident | 79.3 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | trans | -105.8 | 127.3 | -178.3 | -58.2 | 178.7 | 0 | 0 | 0 | 110.1 | F245 L338 H347 L350 L351 | F245-L341 HydrophobicContact CD2-CD1 3.81Å; F245-L341 HydrophobicContact CE2-CD1 4.31Å; F245-L341 HydrophobicContact CG-CD1 4.37Å; L338-L341 HydrophobicContact CD2-CD1 4.07Å; L338-L341 PolarHBondContact O-N 3.42Å; L341-H347 HydrophobicContact CB-CB 4.18Å; L341-H347 HydrophobicContact CD1-CB 4.48Å; L341-L350 HydrophobicContact CD1-CD2 3.73Å; L341-L351 HydrophobicContact CB-CD2 4.26Å | ||
| 342 | G | 66.6 | Low | 79.7 | Confident | 27 Ų | 27 | 41 Ų | 41 | 28% | 0.278 | 22% | 0.219 | S | C | . | . | trans | 177 | -20.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y344 | G342-Y344 VanDerWaalsContact C-N 3.35Å; G342-Y344 PolarHBondContact O-N 3.19Å | ||
| 343 | E | 71.7 | Confident | 80.1 | Confident | 167 Ų | 167 | 38.1 Ų | 38.1 | 78% | 0.78 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -73.8 | -19.9 | -177.9 | -60.2 | -168 | 163.2 | 0 | 0 | 114.9 | ||
| 344 | Y | 73.7 | Confident | 80.2 | Confident | 93 Ų | 93 | 33.7 Ų | 33.7 | 37% | 0.365 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -127.4 | 132.4 | -173.7 | -47.8 | -58.6 | 0 | 0 | 0 | 113 | K250 G342 V346 H347 | K250-Y344 HydrophobicContact CD-CD2 3.79Å; K250-Y344 HydrophobicContact CD-CE1 4.49Å; K250-Y344 HydrophobicContact CD-CE2 3.72Å; K250-Y344 HydrophobicContact CD-CG 4.2Å; G342-Y344 VanDerWaalsContact C-N 3.35Å; G342-Y344 PolarHBondContact O-N 3.19Å; Y344-V346 PolarHBondContact O-N 3.03Å; Y344-H347 AromaticContact CD2-CD2 3.84Å; Y344-H347 AromaticContact CD2-NE2 3.65Å; Y344-H347 PolarHBondContact O-N 3.19Å |
| 345 | Q | 77.1 | Confident | 80.3 | Confident | 84 Ų | 84 | 33.9 Ų | 33.9 | 39% | 0.393 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -50.6 | -34.4 | -179.9 | -142.9 | 177.7 | 6.5 | 0 | 0 | 114.3 | H347 G348 L410 F415 | Q345-H347 VanDerWaalsContact C-N 3.26Å; Q345-H347 PolarHBondContact O-N 2.85Å; Q345-G348 PolarHBondContact O-N 3.47Å; Q345-L410 HydrophobicContact CG-CB 4.36Å; Q345-L410 WeakPolarHBondContact CG-O 3.46Å; Q345-L410 PolarHBondContact NE2-O 3.49Å; Q345-F415 HydrophobicContact CB-CD2 3.96Å; Q345-F415 HydrophobicContact CB-CE2 4.15Å; Q345-F415 HydrophobicContact CG-CB 4.12Å; Q345-F415 HydrophobicContact CG-CD2 3.69Å; Q345-F415 HydrophobicContact CG-CE2 4.38Å; Q345-F415 HydrophobicContact CG-CG 4Å |
| 346 | V | 76.6 | Confident | 80.4 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.024 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -64.5 | -24.7 | -178.5 | -162.7 | 0 | 0 | 0 | 0 | 113.8 | D260 C263 F264 Y344 G348 F415 | D260-V346 HydrophobicContact CB-CG2 3.91Å; D260-V346 WeakPolarHBondContact O-CG1 3.4Å; D260-V346 WeakPolarHBondContact OD1-CG2 3.2Å; C263-V346 HydrophobicContact CB-CB 4.37Å; C263-V346 HydrophobicContact CB-CG1 3.6Å; F264-V346 HydrophobicContact CB-CG1 4.04Å; Y344-V346 PolarHBondContact O-N 3.03Å; V346-G348 VanDerWaalsContact C-N 3.35Å; V346-F415 HydrophobicContact CB-CZ 4.07Å; V346-F415 HydrophobicContact CG1-CZ 4.12Å; V346-F415 HydrophobicContact CG2-CE2 4.22Å; V346-F415 HydrophobicContact CG2-CZ 3.89Å |
| 347 | H | 83.8 | Confident | 80.4 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -87.3 | -6.7 | 174.9 | -53.8 | -61 | 0 | 0 | 0 | 112.6 | F245 L341 Y344 Q345 L350 L351 | F245-H347 PolarHBondContact O-CE1 2.88Å; L341-H347 HydrophobicContact CB-CB 4.18Å; L341-H347 HydrophobicContact CD1-CB 4.48Å; Y344-H347 AromaticContact CD2-CD2 3.84Å; Y344-H347 AromaticContact CD2-NE2 3.65Å; Y344-H347 PolarHBondContact O-N 3.19Å; Q345-H347 VanDerWaalsContact C-N 3.26Å; Q345-H347 PolarHBondContact O-N 2.85Å; H347-L350 WeakPolarHBondContact O-CB 3.39Å; H347-L350 PolarHBondContact O-N 2.92Å; H347-L350 VanDerWaalsContact O-N 3.08Å; H347-L351 PolarHBondContact O-N 2.9Å |
| 348 | G | 84.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.5 | -46.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q345 V346 L350 L351 L352 S406 | Q345-G348 PolarHBondContact O-N 3.47Å; V346-G348 VanDerWaalsContact C-N 3.35Å; G348-L350 PolarHBondContact O-N 3.23Å; G348-L351 WeakPolarHBondContact O-CB 3.47Å; G348-L351 PolarHBondContact O-N 3.44Å; G348-L351 VanDerWaalsContact O-N 3.15Å; G348-L352 PolarHBondContact O-N 3.08Å; G348-S406 PolarHBondContact O-OG 3.29Å |
| 349 | P | 87 | Confident | 80.1 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.013 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.8 | -26.6 | 175 | -22.7 | 33.7 | 0 | 0 | 0 | 113.8 | F264 T267 F353 V412 F415 L416 | F264-P349 HydrophobicContact CE2-CG 4.5Å; T267-P349 HydrophobicContact CG2-CB 4.11Å; P349-F353 WeakPolarHBondContact O-CB 3.42Å; P349-F353 PolarHBondContact O-N 3.14Å; P349-V412 HydrophobicContact CG-CG1 4.18Å; P349-F415 HydrophobicContact CG-CD1 4.1Å; P349-F415 HydrophobicContact CG-CE1 4.24Å; P349-L416 HydrophobicContact CB-CD1 4.32Å; P349-L416 HydrophobicContact CB-CD2 4.01Å; P349-L416 HydrophobicContact CB-CG 4.42Å; P349-L416 HydrophobicContact CG-CD1 4.24Å; P349-L416 HydrophobicContact CG-CD2 3.66Å; P349-L416 HydrophobicContact CG-CG 3.9Å |
| 350 | L | 86.4 | Confident | 80 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -76.6 | -37.3 | 176.5 | -177.9 | 59 | 0 | 0 | 0 | 111.6 | F245 T267 L270 L338 L341 H347 G348 F353 G354 | F245-L350 HydrophobicContact CB-CD2 4.28Å; F245-L350 HydrophobicContact CD1-CD2 3.61Å; F245-L350 HydrophobicContact CD2-CD2 4.17Å; F245-L350 HydrophobicContact CE1-CD2 3.89Å; F245-L350 HydrophobicContact CE2-CD2 4.4Å; F245-L350 HydrophobicContact CG-CD2 3.76Å; F245-L350 HydrophobicContact CZ-CD2 4.27Å; T267-L350 HydrophobicContact CG2-CB 3.64Å; T267-L350 HydrophobicContact CG2-CD1 4.24Å; T267-L350 HydrophobicContact CG2-CG 4.47Å; L270-L350 HydrophobicContact CD2-CD1 3.46Å; L270-L350 VanDerWaalsContact CD2-CD1 3.46Å; L338-L350 HydrophobicContact CD2-CD1 4.13Å; L338-L350 HydrophobicContact CD2-CD2 4.06Å; L338-L350 HydrophobicContact CD2-CG 3.62Å; L341-L350 HydrophobicContact CD1-CD2 3.73Å; H347-L350 WeakPolarHBondContact O-CB 3.39Å; H347-L350 PolarHBondContact O-N 2.92Å; H347-L350 VanDerWaalsContact O-N 3.08Å; G348-L350 PolarHBondContact O-N 3.23Å; L350-F353 HydrophobicContact CD1-CD1 4.31Å; L350-F353 PolarHBondContact O-N 3.15Å; L350-G354 PolarHBondContact O-N 2.99Å |
| 351 | L | 86.5 | Confident | 79.7 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.7 | -41 | 169.7 | -67 | 171.6 | 0 | 0 | 0 | 111.6 | L338 L341 H347 G348 G354 A355 C402 L405 L410 | L338-L351 HydrophobicContact CB-CD2 4.17Å; L341-L351 HydrophobicContact CB-CD2 4.26Å; H347-L351 PolarHBondContact O-N 2.9Å; G348-L351 WeakPolarHBondContact O-CB 3.47Å; G348-L351 PolarHBondContact O-N 3.44Å; G348-L351 VanDerWaalsContact O-N 3.15Å; L351-G354 PolarHBondContact O-N 3.23Å; L351-A355 PolarHBondContact O-N 3.43Å; L351-C402 HydrophobicContact CB-CB 4.48Å; L351-C402 HydrophobicContact CD2-CB 4.47Å; L351-L405 HydrophobicContact CD1-CB 4.19Å; L351-L410 HydrophobicContact CD1-CD1 4Å |
| 352 | L | 87.5 | Confident | 79.3 | Confident | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.016 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 174.8 | -167.5 | 61.1 | 0 | 0 | 0 | 111.4 | G348 G354 A355 V356 S406 I407 V412 F413 L460 L464 | G348-L352 PolarHBondContact O-N 3.08Å; L352-G354 VanDerWaalsContact C-N 3.33Å; L352-G354 PolarHBondContact O-N 3.18Å; L352-A355 PolarHBondContact O-N 3.41Å; L352-V356 WeakPolarHBondContact O-CG2 3.33Å; L352-V356 PolarHBondContact O-N 3.5Å; L352-S406 WeakPolarHBondContact CB-OG 3.43Å; L352-I407 HydrophobicContact CD1-CD1 4.38Å; L352-I407 HydrophobicContact CD1-CG1 4.34Å; L352-V412 HydrophobicContact CD2-CG1 3.9Å; L352-F413 HydrophobicContact CD2-CE1 3.95Å; L352-L460 HydrophobicContact CB-CD2 4.4Å; L352-L460 HydrophobicContact CD2-CD2 4.16Å; L352-L460 HydrophobicContact CG-CD2 4.32Å; L352-L464 HydrophobicContact CD1-CD1 3.74Å; L352-L464 HydrophobicContact CD2-CD1 4.3Å; L352-L464 HydrophobicContact CG-CD1 4.21Å |
| 353 | F | 86.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.3 | -44.1 | 174.6 | 170.1 | -106.3 | 0 | 0 | 0 | 112.5 | F233 L270 I271 A274 L276 F324 L334 P349 L350 C357 L460 | F233-F353 HydrophobicContact CE2-CE1 4.19Å; F233-F353 AromaticContact CE2-CZ 3.83Å; F233-F353 HydrophobicContact CE2-CZ 3.83Å; F233-F353 HydrophobicContact CZ-CE1 4.24Å; F233-F353 HydrophobicContact CZ-CZ 4.07Å; L270-F353 HydrophobicContact CD2-CD1 4.1Å; L270-F353 HydrophobicContact CD2-CE1 3.78Å; L270-F353 HydrophobicContact CG-CE1 4.01Å; I271-F353 HydrophobicContact CB-CD2 4.29Å; I271-F353 HydrophobicContact CD1-CB 4.41Å; I271-F353 HydrophobicContact CG1-CB 3.98Å; I271-F353 HydrophobicContact CG1-CD1 4.48Å; I271-F353 HydrophobicContact CG1-CD2 3.68Å; I271-F353 HydrophobicContact CG1-CE2 4.31Å; I271-F353 HydrophobicContact CG1-CG 3.78Å; I271-F353 HydrophobicContact CG2-CD2 4.33Å; A274-F353 HydrophobicContact CB-CE2 3.57Å; A274-F353 HydrophobicContact CB-CZ 3.54Å; L276-F353 HydrophobicContact CD1-CD2 4.24Å; L276-F353 HydrophobicContact CD1-CE2 4.1Å; L276-F353 HydrophobicContact CD2-CE2 4.38Å; F324-F353 HydrophobicContact CZ-CZ 4.4Å; L334-F353 HydrophobicContact CD1-CD1 4.32Å; L334-F353 HydrophobicContact CD1-CE1 3.84Å; L334-F353 HydrophobicContact CD2-CD1 4.27Å; L334-F353 HydrophobicContact CD2-CE1 3.69Å; L334-F353 HydrophobicContact CD2-CZ 4.28Å; L334-F353 HydrophobicContact CG-CE1 4.42Å; P349-F353 WeakPolarHBondContact O-CB 3.42Å; P349-F353 PolarHBondContact O-N 3.14Å; L350-F353 HydrophobicContact CD1-CD1 4.31Å; L350-F353 PolarHBondContact O-N 3.15Å; F353-C357 WeakPolarHBondContact CE2-SG 3.39Å; F353-C357 WeakPolarHBondContact O-CB 3.31Å; F353-C357 PolarHBondContact O-N 3.11Å; F353-C357 PolarHBondContact O-SG 3.42Å; F353-L460 HydrophobicContact CB-CD1 4.19Å; F353-L460 HydrophobicContact CB-CD2 4.35Å; F353-L460 HydrophobicContact CD2-CD1 4.43Å |
| 354 | G | 85.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.6 | -46.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L338 L350 L351 L352 C357 A358 | L338-G354 VanDerWaalsContact CD1-CA 3.49Å; L350-G354 PolarHBondContact O-N 2.99Å; L351-G354 PolarHBondContact O-N 3.23Å; L352-G354 VanDerWaalsContact C-N 3.33Å; L352-G354 PolarHBondContact O-N 3.18Å; G354-C357 PolarHBondContact O-N 3.1Å; G354-A358 PolarHBondContact O-N 2.87Å |
| 355 | A | 84.8 | Confident | 76.3 | Confident | 5 Ų | 5 | 21.3 Ų | 21.3 | 4% | 0.041 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.4 | -47.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L351 L352 C357 A358 T359 S399 C402 A403 | L351-A355 PolarHBondContact O-N 3.43Å; L352-A355 PolarHBondContact O-N 3.41Å; A355-C357 VanDerWaalsContact C-N 3.33Å; A355-C357 PolarHBondContact O-N 2.96Å; A355-A358 WeakPolarHBondContact O-CB 3.47Å; A355-A358 PolarHBondContact O-N 2.87Å; A355-A358 VanDerWaalsContact O-N 3.07Å; A355-T359 PolarHBondContact O-N 2.76Å; A355-T359 PolarHBondContact O-OG1 2.65Å; A355-S399 WeakPolarHBondContact CB-O 3.19Å; A355-C402 HydrophobicContact CB-CB 4.22Å; A355-A403 HydrophobicContact CB-CB 3.95Å |
| 356 | V | 83.7 | Confident | 74.7 | Confident | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.024 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.4 | -37.2 | 179.4 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | L352 A358 T359 A360 L460 L463 L464 | L352-V356 WeakPolarHBondContact O-CG2 3.33Å; L352-V356 PolarHBondContact O-N 3.5Å; V356-A358 VanDerWaalsContact C-N 3.29Å; V356-A358 PolarHBondContact O-N 3.39Å; V356-T359 PolarHBondContact O-OG1 2.93Å; V356-T359 VanDerWaalsContact O-OG1 3.07Å; V356-A360 WeakPolarHBondContact O-CB 3.34Å; V356-A360 PolarHBondContact O-N 3.15Å; V356-A360 VanDerWaalsContact O-N 3.1Å; V356-L460 HydrophobicContact CB-CD1 3.92Å; V356-L460 HydrophobicContact CG1-CD1 4.19Å; V356-L460 HydrophobicContact CG2-CD1 3.89Å; V356-L463 HydrophobicContact CG1-CB 3.98Å; V356-L463 HydrophobicContact CG1-CD2 3.86Å; V356-L463 HydrophobicContact CG1-CG 3.73Å; V356-L464 HydrophobicContact CG2-CB 3.9Å; V356-L464 HydrophobicContact CG2-CD1 3.78Å; V356-L464 HydrophobicContact CG2-CG 4.06Å |
| 357 | C | 82.5 | Confident | 73.1 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.3 | -34.4 | 173.9 | -69.6 | 0 | 0 | 0 | 0 | 112.5 | L325 L331 L334 F353 G354 A355 | L325-C357 HydrophobicContact CD2-CB 3.6Å; L325-C357 WeakPolarHBondContact CD2-O 3.48Å; L331-C357 HydrophobicContact CD1-CB 3.92Å; L334-C357 HydrophobicContact CD2-CB 4.09Å; F353-C357 WeakPolarHBondContact CE2-SG 3.39Å; F353-C357 WeakPolarHBondContact O-CB 3.31Å; F353-C357 PolarHBondContact O-N 3.11Å; F353-C357 PolarHBondContact O-SG 3.42Å; G354-C357 PolarHBondContact O-N 3.1Å; A355-C357 VanDerWaalsContact C-N 3.33Å; A355-C357 PolarHBondContact O-N 2.96Å |
| 358 | A | 79.5 | Confident | 70.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -73.9 | -42 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L335 G354 A355 V356 F361 T362 I395 | L335-A358 HydrophobicContact CD1-CB 4.29Å; L335-A358 HydrophobicContact CD2-CB 4.36Å; G354-A358 PolarHBondContact O-N 2.87Å; A355-A358 WeakPolarHBondContact O-CB 3.47Å; A355-A358 PolarHBondContact O-N 2.87Å; A355-A358 VanDerWaalsContact O-N 3.07Å; V356-A358 VanDerWaalsContact C-N 3.29Å; V356-A358 PolarHBondContact O-N 3.39Å; A358-F361 PolarHBondContact O-N 2.72Å; A358-T362 PolarHBondContact O-N 3.12Å; A358-I395 HydrophobicContact CB-CG2 3.83Å |
| 359 | T | 76.5 | Confident | 68.7 | Low | 29 Ų | 29 | 39.8 Ų | 39.8 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 177.6 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | A355 V356 F361 T362 H363 | A355-T359 PolarHBondContact O-N 2.76Å; A355-T359 PolarHBondContact O-OG1 2.65Å; V356-T359 PolarHBondContact O-OG1 2.93Å; V356-T359 VanDerWaalsContact O-OG1 3.07Å; T359-F361 PolarHBondContact O-N 2.99Å; T359-T362 PolarHBondContact O-N 3.23Å; T359-T362 PolarHBondContact O-OG1 3.44Å; T359-T362 VanDerWaalsContact O-OG1 3.1Å; T359-H363 PolarHBondContact O-CD2 2.96Å |
| 360 | A | 73 | Confident | 66.2 | Low | 15 Ų | 15 | 47.7 Ų | 47.7 | 12% | 0.124 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.6 | -29 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L325 V356 L463 D467 | L325-A360 HydrophobicContact CD1-CB 4.06Å; V356-A360 WeakPolarHBondContact O-CB 3.34Å; V356-A360 PolarHBondContact O-N 3.15Å; V356-A360 VanDerWaalsContact O-N 3.1Å; A360-L463 HydrophobicContact CB-CD1 4.46Å; A360-L463 HydrophobicContact CB-CD2 4.28Å; A360-D467 WeakPolarHBondContact CA-OD2 3.36Å; A360-D467 WeakPolarHBondContact CB-OD2 3.31Å |
| 361 | F | 67.5 | Low | 63.9 | Low | 38 Ų | 38 | 52.9 Ų | 52.9 | 17% | 0.167 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -77.4 | -47.5 | 178 | -178.9 | -109.3 | 0 | 0 | 0 | 112.8 | L325 L331 A358 T359 H363 S364 | L325-F361 WeakPolarHBondContact O-CD2 3.38Å; L325-F361 WeakPolarHBondContact O-CE2 3.27Å; L331-F361 HydrophobicContact CD2-CB 3.6Å; L331-F361 HydrophobicContact CD2-CD1 3.67Å; L331-F361 HydrophobicContact CD2-CD2 4.25Å; L331-F361 HydrophobicContact CD2-CE1 4.4Å; L331-F361 HydrophobicContact CD2-CG 3.57Å; A358-F361 PolarHBondContact O-N 2.72Å; T359-F361 PolarHBondContact O-N 2.99Å; F361-H363 VanDerWaalsContact C-N 3.33Å; F361-H363 PolarHBondContact O-N 2.96Å; F361-S364 WeakPolarHBondContact O-CB 3.34Å; F361-S364 PolarHBondContact O-N 3.21Å; F361-S364 PolarHBondContact O-OG 3.03Å |
| 362 | T | 63.1 | Low | 61.4 | Low | 48 Ų | 48 | 58.5 Ų | 58.5 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.1 | -37.6 | -173 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | A358 T359 S364 G365 I395 | A358-T362 PolarHBondContact O-N 3.12Å; T359-T362 PolarHBondContact O-N 3.23Å; T359-T362 PolarHBondContact O-OG1 3.44Å; T359-T362 VanDerWaalsContact O-OG1 3.1Å; T362-S364 PolarHBondContact O-N 3.18Å; T362-G365 PolarHBondContact O-N 3.28Å; T362-I395 HydrophobicContact CG2-CG2 4.3Å |
| 363 | H | 55.8 | Low | 59 | Low | 106 Ų | 106 | 65.7 Ų | 65.7 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.2 | -20.8 | 175.4 | -75.4 | -73.2 | 0 | 0 | 0 | 114.1 | T359 F361 | T359-H363 PolarHBondContact O-CD2 2.96Å; F361-H363 VanDerWaalsContact C-N 3.33Å; F361-H363 PolarHBondContact O-N 2.96Å |
| 364 | S | 50.4 | Low | 56.9 | Low | 56 Ų | 56 | 71.8 Ų | 71.8 | 39% | 0.392 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -80.3 | -24.4 | 178.6 | 75.3 | 0 | 0 | 0 | 0 | 113.9 | F361 T362 | F361-S364 WeakPolarHBondContact O-CB 3.34Å; F361-S364 PolarHBondContact O-N 3.21Å; F361-S364 PolarHBondContact O-OG 3.03Å; T362-S364 PolarHBondContact O-N 3.18Å |
| 365 | G | 43.9 | Very low | 54.3 | Low | 50 Ų | 50 | 77.1 Ų | 77.1 | 52% | 0.515 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -88.7 | -24.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | T362 V367 S368 | T362-G365 PolarHBondContact O-N 3.28Å; G365-V367 PolarHBondContact O-N 2.86Å; G365-S368 PolarHBondContact O-OG 3.48Å |
| 366 | S | 42.7 | Very low | 52.2 | Low | 75 Ų | 75 | 82.3 Ų | 82.3 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -73.6 | -25 | -166.1 | 60.9 | 0 | 0 | 0 | 0 | 115.2 | S368 | S366-S368 VanDerWaalsContact C-N 3.27Å; S366-S368 PolarHBondContact O-N 3.01Å |
| 367 | V | 42.1 | Very low | 49.8 | Very low | 126 Ų | 126 | 89.5 Ų | 89.5 | 76% | 0.764 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -68.4 | -20.8 | -168.6 | -177 | 0 | 0 | 0 | 0 | 113.6 | G365 R369 | G365-V367 PolarHBondContact O-N 2.86Å; V367-R369 PolarHBondContact O-N 3.42Å; V367-R369 VanDerWaalsContact O-N 3.13Å |
| 368 | S | 39.4 | Very low | 47.6 | Very low | 102 Ų | 102 | 95.5 Ų | 95.5 | 71% | 0.713 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -69.3 | -8.3 | -174.8 | 61.3 | 0 | 0 | 0 | 0 | 116.1 | G365 S366 | G365-S368 PolarHBondContact O-OG 3.48Å; S366-S368 VanDerWaalsContact C-N 3.27Å; S366-S368 PolarHBondContact O-N 3.01Å |
| 369 | R | 37.6 | Very low | 45.4 | Very low | 176 Ų | 176 | 101.8 Ų | 101.8 | 66% | 0.664 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -100.4 | -1.1 | -153.8 | -132.7 | 169.6 | -177 | 164.6 | -1.9 | 118.1 | V367 | V367-R369 PolarHBondContact O-N 3.42Å; V367-R369 VanDerWaalsContact O-N 3.13Å |
| 370 | N | 35.5 | Very low | 43.6 | Very low | 168 Ų | 168 | 111.6 Ų | 111.6 | 90% | 0.898 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -120.1 | 37.9 | -172.4 | -80.8 | -29.4 | 0 | 0 | 0 | 115.2 | ||
| 371 | S | 36.7 | Very low | 41.6 | Very low | 108 Ų | 108 | 118.6 Ų | 118.6 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | trans | -149 | 80.4 | 166.9 | 57 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 372 | S | 35.7 | Very low | 40.1 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | trans | -167 | 125.3 | 152.6 | 2.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 373 | D | 36.3 | Very low | 38.6 | Very low | 154 Ų | 154 | 129 Ų | 129 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | trans | -68.3 | 136.2 | 162.1 | -75.4 | -60.1 | 0 | 0 | 0 | 109.5 | S375 | D373-S375 PolarHBondContact O-N 3.41Å; D373-S375 VanDerWaalsContact O-N 3.13Å | ||
| 374 | P | 42.2 | Very low | 37.5 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | -75.8 | 104.4 | 179.7 | 30 | -33.5 | 0 | 0 | 0 | 110.8 | ||||
| 375 | S | 32.5 | Very low | 36.7 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -100.8 | 121.8 | 162.4 | 56 | 0 | 0 | 0 | 0 | 109.8 | D373 | D373-S375 PolarHBondContact O-N 3.41Å; D373-S375 VanDerWaalsContact O-N 3.13Å | ||
| 376 | P | 40.6 | Very low | 36.2 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | trans | -84.8 | 119.9 | 172.6 | 32 | -30.1 | 0 | 0 | 0 | 110 | ||||
| 377 | D | 32 | Very low | 36.2 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | 167.1 | 102.1 | 135.3 | -89.4 | -14.2 | 0 | 0 | 0 | 111.6 | ||||
| 378 | S | 36.1 | Very low | 36.5 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -171.8 | 117.2 | 143.1 | 17.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 379 | T | 33.5 | Very low | 36.8 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | trans | -85.8 | 119.4 | 173.8 | 32.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 380 | Y | 38.2 | Very low | 37.4 | Very low | 234 Ų | 234 | 139 Ų | 139 | 92% | 0.918 | 80% | 0.798 | S | S | * | * | trans | -146.7 | 120.6 | 153.5 | -100.3 | -75 | 0 | 0 | 0 | 110.1 | ||||
| 381 | D | 32.6 | Very low | 38.1 | Very low | 162 Ų | 162 | 136 Ų | 136 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | -72.1 | 129.3 | 176.8 | -69.8 | -69.2 | 0 | 0 | 0 | 111.8 | ||||
| 382 | L | 34.5 | Very low | 39.1 | Very low | 176 Ų | 176 | 134.8 Ų | 134.8 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | trans | -143.3 | 113 | 148.6 | -147.2 | 78.1 | 0 | 0 | 0 | 110 | G384 | L382-G384 PolarHBondContact O-N 3.24Š| ||
| 383 | S | 32.9 | Very low | 40.3 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 91% | 0.909 | 75% | 0.753 | S | S | * | * | trans | -82.5 | 110 | -170.5 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 384 | G | 32.7 | Very low | 41.8 | Very low | 58 Ų | 58 | 133 Ų | 133 | 60% | 0.598 | 74% | 0.738 | S | S | * | * | trans | 174 | 153.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L382 | L382-G384 PolarHBondContact O-N 3.24Š| ||
| 385 | Y | 34.1 | Very low | 43.1 | Very low | 235 Ų | 235 | 127.2 Ų | 127.2 | 92% | 0.922 | 70% | 0.7 | S | S | * | * | trans | 60.4 | 46 | 169.1 | -67.1 | -87.7 | 0 | 0 | 0 | 118.6 | ||||
| 386 | A | 32.7 | Very low | 45 | Very low | 104 Ų | 104 | 123.9 Ų | 123.9 | 86% | 0.86 | 68% | 0.677 | S | S | * | * | trans | -101.1 | 65.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 387 | K | 42.9 | Very low | 46.7 | Very low | 171 Ų | 171 | 123.2 Ų | 123.2 | 74% | 0.743 | 67% | 0.671 | S | S | * | * | trans | -140.4 | -9.2 | -179.6 | -111 | -171.6 | 179.7 | -172.8 | 0 | 116.9 | Q389 F391 | K387-Q389 PolarHBondContact O-N 3.28Å; K387-F391 VanDerWaalsContact O-CD2 3.29Å; K387-F391 WeakPolarHBondContact O-CD2 3.44Å; K387-F391 VanDerWaalsContact O-CE2 3.27Å; K387-F391 WeakPolarHBondContact O-CE2 3.36Å | ||
| 388 | S | 47.2 | Very low | 48.6 | Very low | 84 Ų | 84 | 119.3 Ų | 119.3 | 59% | 0.587 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -68.6 | -27.1 | -171.8 | 41.7 | 0 | 0 | 0 | 0 | 115.1 | N390 F391 | S388-N390 PolarHBondContact O-N 3.14Å; S388-N390 VanDerWaalsContact O-N 3.12Å; S388-F391 WeakPolarHBondContact O-CB 3.42Å; S388-F391 PolarHBondContact O-N 3.3Å |
| 389 | Q | 47.5 | Very low | 50.5 | Low | 138 Ų | 138 | 113.6 Ų | 113.6 | 65% | 0.645 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -64.9 | -20.7 | -169.6 | -67.6 | -176.6 | -9.8 | 0 | 0 | 115.3 | K387 | K387-Q389 PolarHBondContact O-N 3.28Š|
| 390 | N | 49.9 | Very low | 52.6 | Low | 111 Ų | 111 | 112 Ų | 112 | 59% | 0.594 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -91.5 | 0.9 | 176.7 | -69.7 | 57.5 | 0 | 0 | 0 | 113.4 | S388 N394 | S388-N390 PolarHBondContact O-N 3.14Å; S388-N390 VanDerWaalsContact O-N 3.12Å; N390-N394 PolarHBondContact O-ND2 2.87Å |
| 391 | F | 49.8 | Very low | 54.8 | Low | 103 Ų | 103 | 106.1 Ų | 106.1 | 45% | 0.452 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.5 | -41.5 | -176 | -77.6 | -95.3 | 0 | 0 | 0 | 112.7 | K387 S388 E393 N394 I395 | K387-F391 VanDerWaalsContact O-CD2 3.29Å; K387-F391 WeakPolarHBondContact O-CD2 3.44Å; K387-F391 VanDerWaalsContact O-CE2 3.27Å; K387-F391 WeakPolarHBondContact O-CE2 3.36Å; S388-F391 WeakPolarHBondContact O-CB 3.42Å; S388-F391 PolarHBondContact O-N 3.3Å; F391-E393 VanDerWaalsContact C-N 3.35Å; F391-E393 PolarHBondContact O-N 3.37Å; F391-N394 PolarHBondContact O-N 3.01Å; F391-N394 VanDerWaalsContact O-N 3.13Å; F391-I395 WeakPolarHBondContact O-CG1 3.31Å; F391-I395 PolarHBondContact O-N 3.07Å |
| 392 | D | 57 | Low | 57.1 | Low | 84 Ų | 84 | 98.7 Ų | 98.7 | 45% | 0.449 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | -176.4 | -55 | -30.4 | 0 | 0 | 0 | 112 | N394 I395 S396 | D392-N394 VanDerWaalsContact C-N 3.34Å; D392-N394 PolarHBondContact O-N 3.32Å; D392-I395 PolarHBondContact O-N 3.21Å; D392-S396 PolarHBondContact O-N 3.45Å; D392-S396 VanDerWaalsContact O-N 3.12Å; D392-S396 PolarHBondContact O-OG 3.48Å |
| 393 | E | 62.1 | Low | 59.3 | Low | 137 Ų | 137 | 91.6 Ų | 91.6 | 64% | 0.64 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.3 | -33.2 | 176.5 | -64.1 | -175.8 | 155.1 | 0 | 0 | 113.4 | F391 S396 V397 | F391-E393 VanDerWaalsContact C-N 3.35Å; F391-E393 PolarHBondContact O-N 3.37Å; E393-S396 PolarHBondContact O-OG 3.2Å; E393-V397 VanDerWaalsContact O-CG2 3.31Å; E393-V397 WeakPolarHBondContact O-CG2 3.36Å; E393-V397 PolarHBondContact O-N 3.19Å |
| 394 | N | 67 | Low | 61.6 | Low | 97 Ų | 97 | 90.2 Ų | 90.2 | 52% | 0.519 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -77.1 | -32.1 | 177.2 | -79.2 | -74.4 | 0 | 0 | 0 | 111.5 | N390 F391 D392 I398 | N390-N394 PolarHBondContact O-ND2 2.87Å; F391-N394 PolarHBondContact O-N 3.01Å; F391-N394 VanDerWaalsContact O-N 3.13Å; D392-N394 VanDerWaalsContact C-N 3.34Å; D392-N394 PolarHBondContact O-N 3.32Å; N394-I398 WeakPolarHBondContact O-CB 3.23Å; N394-I398 WeakPolarHBondContact O-CD1 3.47Å; N394-I398 VanDerWaalsContact O-CG1 3.24Å; N394-I398 WeakPolarHBondContact O-CG1 3.45Å; N394-I398 PolarHBondContact O-N 2.73Å |
| 395 | I | 69.5 | Low | 64 | Low | 7 Ų | 7 | 89.2 Ų | 89.2 | 4% | 0.036 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 176.9 | -70 | 168.2 | 0 | 0 | 0 | 110.5 | L335 A358 T362 F391 D392 I398 S399 | L335-I395 HydrophobicContact CD1-CG1 4.46Å; L335-I395 HydrophobicContact CD1-CG2 4.2Å; A358-I395 HydrophobicContact CB-CG2 3.83Å; T362-I395 HydrophobicContact CG2-CG2 4.3Å; F391-I395 WeakPolarHBondContact O-CG1 3.31Å; F391-I395 PolarHBondContact O-N 3.07Å; D392-I395 PolarHBondContact O-N 3.21Å; I395-I398 PolarHBondContact O-N 3.46Å; I395-S399 PolarHBondContact O-N 2.97Å; I395-S399 PolarHBondContact O-OG 2.86Å |
| 396 | S | 71.7 | Confident | 66.4 | Low | 43 Ų | 43 | 78 Ų | 78 | 30% | 0.301 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 178.1 | 58 | 0 | 0 | 0 | 0 | 113.1 | D392 E393 I398 S399 D400 | D392-S396 PolarHBondContact O-N 3.45Å; D392-S396 VanDerWaalsContact O-N 3.12Å; D392-S396 PolarHBondContact O-OG 3.48Å; E393-S396 PolarHBondContact O-OG 3.2Å; S396-I398 PolarHBondContact O-N 3.31Å; S396-S399 WeakPolarHBondContact CA-OG 3.45Å; S396-S399 PolarHBondContact O-N 3.04Å; S396-S399 VanDerWaalsContact O-N 3.15Å; S396-S399 PolarHBondContact O-OG 2.91Å; S396-D400 WeakPolarHBondContact O-CB 3.46Å; S396-D400 PolarHBondContact O-N 2.8Å |
| 397 | V | 76 | Confident | 68.7 | Low | 100 Ų | 100 | 74 Ų | 74 | 61% | 0.606 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61 | -35 | 177.5 | 171.2 | 0 | 0 | 0 | 0 | 112 | E393 H401 | E393-V397 VanDerWaalsContact O-CG2 3.31Å; E393-V397 WeakPolarHBondContact O-CG2 3.36Å; E393-V397 PolarHBondContact O-N 3.19Å; V397-H401 WeakPolarHBondContact O-CB 3.17Å; V397-H401 PolarHBondContact O-N 3.28Å |
| 398 | I | 72.7 | Confident | 70.3 | Confident | 74 Ų | 74 | 70.4 Ų | 70.4 | 38% | 0.379 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -74.4 | -40.5 | 175.4 | -67.2 | 169.5 | 0 | 0 | 0 | 111.2 | L335 N394 I395 S396 H401 C402 | L335-I398 HydrophobicContact CB-CG2 4.36Å; L335-I398 HydrophobicContact CD2-CG2 4.34Å; N394-I398 WeakPolarHBondContact O-CB 3.23Å; N394-I398 WeakPolarHBondContact O-CD1 3.47Å; N394-I398 VanDerWaalsContact O-CG1 3.24Å; N394-I398 WeakPolarHBondContact O-CG1 3.45Å; N394-I398 PolarHBondContact O-N 2.73Å; I395-I398 PolarHBondContact O-N 3.46Å; S396-I398 PolarHBondContact O-N 3.31Å; I398-H401 PolarHBondContact O-N 2.57Å; I398-C402 PolarHBondContact O-N 3.24Å; I398-C402 PolarHBondContact O-SG 3.42Å; I398-C402 VanDerWaalsContact O-SG 3.37Å |
| 399 | S | 77.1 | Confident | 71.8 | Confident | 4 Ų | 4 | 71.9 Ų | 71.9 | 3% | 0.028 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 177.5 | 64.2 | 0 | 0 | 0 | 0 | 112.2 | A355 I395 S396 H401 C402 A403 | A355-S399 WeakPolarHBondContact CB-O 3.19Å; I395-S399 PolarHBondContact O-N 2.97Å; I395-S399 PolarHBondContact O-OG 2.86Å; S396-S399 WeakPolarHBondContact CA-OG 3.45Å; S396-S399 PolarHBondContact O-N 3.04Å; S396-S399 VanDerWaalsContact O-N 3.15Å; S396-S399 PolarHBondContact O-OG 2.91Å; S399-H401 VanDerWaalsContact C-N 3.33Å; S399-H401 PolarHBondContact O-N 3.02Å; S399-C402 PolarHBondContact O-N 2.81Å; S399-A403 WeakPolarHBondContact O-CB 3.43Å; S399-A403 PolarHBondContact O-N 3.02Å |
| 400 | D | 76.9 | Confident | 73.3 | Confident | 101 Ų | 101 | 66.1 Ų | 66.1 | 54% | 0.54 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | -179.6 | -66.6 | -1 | 0 | 0 | 0 | 110.8 | S396 A403 Q404 | S396-D400 WeakPolarHBondContact O-CB 3.46Å; S396-D400 PolarHBondContact O-N 2.8Å; D400-A403 PolarHBondContact O-N 2.91Å; D400-Q404 WeakPolarHBondContact O-CB 3.46Å; D400-Q404 PolarHBondContact O-N 3.11Å |
| 401 | H | 83.1 | Confident | 74.8 | Confident | 110 Ų | 110 | 63.9 Ų | 63.9 | 51% | 0.509 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 175.8 | -169.9 | 56.4 | 0 | 0 | 0 | 112.4 | V397 I398 S399 Q404 L405 | V397-H401 WeakPolarHBondContact O-CB 3.17Å; V397-H401 PolarHBondContact O-N 3.28Å; I398-H401 PolarHBondContact O-N 2.57Å; S399-H401 VanDerWaalsContact C-N 3.33Å; S399-H401 PolarHBondContact O-N 3.02Å; H401-Q404 PolarHBondContact O-N 2.89Å; H401-L405 WeakPolarHBondContact O-CB 3.24Å; H401-L405 WeakPolarHBondContact O-CG 3.43Å; H401-L405 PolarHBondContact O-N 3.23Å |
| 402 | C | 81.7 | Confident | 76.4 | Confident | 6 Ų | 6 | 59 Ų | 59 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 175.7 | -70.8 | 0 | 0 | 0 | 0 | 112.2 | L351 A355 I398 S399 S406 | L351-C402 HydrophobicContact CB-CB 4.48Å; L351-C402 HydrophobicContact CD2-CB 4.47Å; A355-C402 HydrophobicContact CB-CB 4.22Å; I398-C402 PolarHBondContact O-N 3.24Å; I398-C402 PolarHBondContact O-SG 3.42Å; I398-C402 VanDerWaalsContact O-SG 3.37Å; S399-C402 PolarHBondContact O-N 2.81Å; C402-S406 VanDerWaalsContact O-CB 3.23Å; C402-S406 WeakPolarHBondContact O-CB 3.49Å; C402-S406 PolarHBondContact O-N 3.05Å |
| 403 | A | 80.5 | Confident | 77.7 | Confident | 27 Ų | 27 | 55 Ų | 55 | 22% | 0.223 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A355 S399 D400 S406 I407 | A355-A403 HydrophobicContact CB-CB 3.95Å; S399-A403 WeakPolarHBondContact O-CB 3.43Å; S399-A403 PolarHBondContact O-N 3.02Å; D400-A403 PolarHBondContact O-N 2.91Å; A403-S406 PolarHBondContact O-N 2.99Å; A403-I407 WeakPolarHBondContact O-CB 3.31Å; A403-I407 WeakPolarHBondContact O-CG1 3.41Å; A403-I407 PolarHBondContact O-N 3.45Å |
| 404 | Q | 82.5 | Confident | 78.5 | Confident | 100 Ų | 100 | 56.5 Ų | 56.5 | 47% | 0.467 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 179.1 | -165.5 | -176.9 | 16.5 | 0 | 0 | 112 | D400 H401 Q408 | D400-Q404 WeakPolarHBondContact O-CB 3.46Å; D400-Q404 PolarHBondContact O-N 3.11Å; H401-Q404 PolarHBondContact O-N 2.89Å; Q404-Q408 HydrophobicContact CG-CB 4.44Å; Q404-Q408 HydrophobicContact CG-CG 4.24Å; Q404-Q408 VanDerWaalsContact CG-OE1 3.28Å; Q404-Q408 WeakPolarHBondContact O-CB 3.4Å; Q404-Q408 PolarHBondContact O-N 3.31Å |
| 405 | L | 82.1 | Confident | 79.2 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 19% | 0.194 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -58.9 | -49.3 | 173.8 | -76.7 | 172.3 | 0 | 0 | 0 | 111.4 | L351 H401 N409 L410 | L351-L405 HydrophobicContact CD1-CB 4.19Å; H401-L405 WeakPolarHBondContact O-CB 3.24Å; H401-L405 WeakPolarHBondContact O-CG 3.43Å; H401-L405 PolarHBondContact O-N 3.23Å; L405-N409 WeakPolarHBondContact O-CB 3.21Å; L405-N409 PolarHBondContact O-N 3.27Å; L405-L410 WeakPolarHBondContact O-CG 3.41Å; L405-L410 PolarHBondContact O-N 3.19Å; L405-L410 VanDerWaalsContact O-N 3.09Å |
| 406 | S | 83.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -58.1 | -55 | 179.2 | 168 | 0 | 0 | 0 | 0 | 112.5 | G348 L352 C402 A403 D411 V412 | G348-S406 PolarHBondContact O-OG 3.29Å; L352-S406 WeakPolarHBondContact CB-OG 3.43Å; C402-S406 VanDerWaalsContact O-CB 3.23Å; C402-S406 WeakPolarHBondContact O-CB 3.49Å; C402-S406 PolarHBondContact O-N 3.05Å; A403-S406 PolarHBondContact O-N 2.99Å; S406-D411 PolarHBondContact O-N 3.39Å; S406-V412 WeakPolarHBondContact O-CB 3.5Å; S406-V412 WeakPolarHBondContact O-CG2 3.44Å; S406-V412 PolarHBondContact O-N 3.29Å; S406-V412 WeakPolarHBondContact OG-CG2 3.35Å |
| 407 | I | 81.6 | Confident | 80.1 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -79.7 | -58.8 | -170.1 | -61.2 | 170.5 | 0 | 0 | 0 | 110 | L352 A403 D411 F413 L473 N491 | L352-I407 HydrophobicContact CD1-CD1 4.38Å; L352-I407 HydrophobicContact CD1-CG1 4.34Å; A403-I407 WeakPolarHBondContact O-CB 3.31Å; A403-I407 WeakPolarHBondContact O-CG1 3.41Å; A403-I407 PolarHBondContact O-N 3.45Å; I407-D411 PolarHBondContact O-N 3.47Å; I407-F413 HydrophobicContact CD1-CE2 4.41Å; I407-F413 HydrophobicContact CD1-CZ 4.37Å; I407-F413 HydrophobicContact CG1-CE2 4.1Å; I407-F413 HydrophobicContact CG1-CZ 4.23Å; I407-F413 HydrophobicContact CG2-CE2 4.12Å; I407-L473 HydrophobicContact CD1-CD2 4.05Å; I407-N491 HydrophobicContact CG2-CB 4.08Å; I407-N491 VanDerWaalsContact CG2-OD1 3.29Å; I407-N491 WeakPolarHBondContact CG2-OD1 3.33Å |
| 408 | Q | 77.4 | Confident | 79.7 | Confident | 95 Ų | 95 | 47.9 Ų | 47.9 | 44% | 0.444 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -78.6 | -34.4 | -168.9 | -60.5 | -176.6 | -8.3 | 0 | 0 | 113.9 | Q404 | Q404-Q408 HydrophobicContact CG-CB 4.44Å; Q404-Q408 HydrophobicContact CG-CG 4.24Å; Q404-Q408 VanDerWaalsContact CG-OE1 3.28Å; Q404-Q408 WeakPolarHBondContact O-CB 3.4Å; Q404-Q408 PolarHBondContact O-N 3.31Å |
| 409 | N | 77.9 | Confident | 79.6 | Confident | 115 Ų | 115 | 45.8 Ų | 45.8 | 62% | 0.615 | 23% | 0.231 | S | C | * | . | I | π-helix | trans | -99.8 | -29.7 | -174.1 | -70.5 | -31.6 | 0 | 0 | 0 | 113.7 | L405 | L405-N409 WeakPolarHBondContact O-CB 3.21Å; L405-N409 PolarHBondContact O-N 3.27Å |
| 410 | L | 79.8 | Confident | 79.2 | Confident | 18 Ų | 18 | 45.6 Ų | 45.6 | 9% | 0.094 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -6.2 | -177.3 | -60.7 | -178.8 | 0 | 0 | 0 | 114.6 | Q345 L351 L405 V412 | Q345-L410 HydrophobicContact CG-CB 4.36Å; Q345-L410 WeakPolarHBondContact CG-O 3.46Å; Q345-L410 PolarHBondContact NE2-O 3.49Å; L351-L410 HydrophobicContact CD1-CD1 4Å; L405-L410 WeakPolarHBondContact O-CG 3.41Å; L405-L410 PolarHBondContact O-N 3.19Å; L405-L410 VanDerWaalsContact O-N 3.09Å; L410-V412 VanDerWaalsContact C-N 3.31Å; L410-V412 HydrophobicContact CB-CG2 4.07Å; L410-V412 PolarHBondContact O-N 3.31Å |
| 411 | D | 79.6 | Confident | 78.2 | Confident | 64 Ų | 64 | 43.1 Ų | 43.1 | 34% | 0.342 | 22% | 0.216 | S | C | . | . | trans | 49.9 | 52.3 | 177.4 | -172.2 | 8.9 | 0 | 0 | 0 | 111.7 | S406 I407 F413 R414 F415 | S406-D411 PolarHBondContact O-N 3.39Å; I407-D411 PolarHBondContact O-N 3.47Å; D411-F413 VanDerWaalsContact C-N 3.31Å; D411-F413 PolarHBondContact O-N 3.45Å; D411-R414 VanDerWaalsContact CG-CB 3.45Å; D411-R414 PolarHBondContact O-N 3.2Å; D411-R414 WeakPolarHBondContact OD1-CB 3.28Å; D411-R414 WeakPolarHBondContact OD2-CB 3.4Å; D411-R414 VanDerWaalsContact OD2-CD 3.24Å; D411-R414 WeakPolarHBondContact OD2-CD 3.09Å; D411-F415 WeakPolarHBondContact O-CB 3.27Å; D411-F415 PolarHBondContact O-N 3.04Å | ||
| 412 | V | 84.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -33.6 | -167.8 | 157.7 | 0 | 0 | 0 | 0 | 113.3 | P349 L352 S406 L410 F415 L416 | P349-V412 HydrophobicContact CG-CG1 4.18Å; L352-V412 HydrophobicContact CD2-CG1 3.9Å; S406-V412 WeakPolarHBondContact O-CB 3.5Å; S406-V412 WeakPolarHBondContact O-CG2 3.44Å; S406-V412 PolarHBondContact O-N 3.29Å; S406-V412 WeakPolarHBondContact OG-CG2 3.35Å; L410-V412 VanDerWaalsContact C-N 3.31Å; L410-V412 HydrophobicContact CB-CG2 4.07Å; L410-V412 PolarHBondContact O-N 3.31Å; V412-F415 PolarHBondContact O-N 3.24Å; V412-L416 HydrophobicContact CG1-CD1 3.72Å; V412-L416 HydrophobicContact CG1-CG 4.29Å; V412-L416 WeakPolarHBondContact O-CB 3.46Å; V412-L416 VanDerWaalsContact O-CG 3.27Å; V412-L416 WeakPolarHBondContact O-CG 3.31Å; V412-L416 PolarHBondContact O-N 3.38Å |
| 413 | F | 84.6 | Confident | 74.8 | Confident | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.3 | -48.7 | 177.8 | -55.9 | -53.9 | 0 | 0 | 0 | 111 | L352 I407 D411 F415 L416 V417 L473 N491 F495 L498 | L352-F413 HydrophobicContact CD2-CE1 3.95Å; I407-F413 HydrophobicContact CD1-CE2 4.41Å; I407-F413 HydrophobicContact CD1-CZ 4.37Å; I407-F413 HydrophobicContact CG1-CE2 4.1Å; I407-F413 HydrophobicContact CG1-CZ 4.23Å; I407-F413 HydrophobicContact CG2-CE2 4.12Å; D411-F413 VanDerWaalsContact C-N 3.31Å; D411-F413 PolarHBondContact O-N 3.45Å; F413-F415 VanDerWaalsContact C-N 3.32Å; F413-F415 PolarHBondContact O-N 3.19Å; F413-L416 PolarHBondContact O-N 3.09Å; F413-V417 WeakPolarHBondContact O-CB 3.19Å; F413-V417 VanDerWaalsContact O-CG2 3.25Å; F413-V417 WeakPolarHBondContact O-CG2 3.24Å; F413-V417 PolarHBondContact O-N 3.29Å; F413-L473 HydrophobicContact CZ-CD2 4.5Å; F413-N491 HydrophobicContact CD2-CB 4.39Å; F413-N491 HydrophobicContact CE2-CB 4.41Å; F413-F495 HydrophobicContact CD1-CB 4.17Å; F413-F495 HydrophobicContact CD1-CD2 4.26Å; F413-F495 HydrophobicContact CD2-CB 4.15Å; F413-F495 HydrophobicContact CE1-CB 4.19Å; F413-F495 AromaticContact CE1-CD2 3.72Å; F413-F495 HydrophobicContact CE1-CD2 3.72Å; F413-F495 HydrophobicContact CE1-CG 4.43Å; F413-F495 HydrophobicContact CE2-CB 4.15Å; F413-F495 HydrophobicContact CG-CB 4.17Å; F413-F495 HydrophobicContact CZ-CB 4.17Å; F413-F495 HydrophobicContact CZ-CD2 4.03Å; F413-L498 HydrophobicContact CD1-CD2 4.03Å |
| 414 | R | 78.8 | Confident | 72.8 | Confident | 168 Ų | 168 | 47.2 Ų | 47.2 | 63% | 0.634 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -65.4 | -34.5 | 175.8 | -161.4 | -177.9 | -172.5 | 104.9 | 3.6 | 112.4 | D411 G418 | D411-R414 VanDerWaalsContact CG-CB 3.45Å; D411-R414 PolarHBondContact O-N 3.2Å; D411-R414 WeakPolarHBondContact OD1-CB 3.28Å; D411-R414 WeakPolarHBondContact OD2-CB 3.4Å; D411-R414 VanDerWaalsContact OD2-CD 3.24Å; D411-R414 WeakPolarHBondContact OD2-CD 3.09Å; R414-G418 PolarHBondContact O-N 3.4Å |
| 415 | F | 82 | Confident | 70.3 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.9 | -45.2 | 173.4 | 177.3 | -95.3 | 0 | 0 | 0 | 112.4 | F264 Q345 V346 P349 D411 V412 F413 G418 R419 | F264-F415 HydrophobicContact CD2-CE1 4.43Å; Q345-F415 HydrophobicContact CB-CD2 3.96Å; Q345-F415 HydrophobicContact CB-CE2 4.15Å; Q345-F415 HydrophobicContact CG-CB 4.12Å; Q345-F415 HydrophobicContact CG-CD2 3.69Å; Q345-F415 HydrophobicContact CG-CE2 4.38Å; Q345-F415 HydrophobicContact CG-CG 4Å; V346-F415 HydrophobicContact CB-CZ 4.07Å; V346-F415 HydrophobicContact CG1-CZ 4.12Å; V346-F415 HydrophobicContact CG2-CE2 4.22Å; V346-F415 HydrophobicContact CG2-CZ 3.89Å; P349-F415 HydrophobicContact CG-CD1 4.1Å; P349-F415 HydrophobicContact CG-CE1 4.24Å; D411-F415 WeakPolarHBondContact O-CB 3.27Å; D411-F415 PolarHBondContact O-N 3.04Å; V412-F415 PolarHBondContact O-N 3.24Å; F413-F415 VanDerWaalsContact C-N 3.32Å; F413-F415 PolarHBondContact O-N 3.19Å; F415-G418 PolarHBondContact O-N 3.5Å; F415-R419 HydrophobicContact CD1-CG 4.31Å; F415-R419 HydrophobicContact CD2-CG 4.43Å; F415-R419 HydrophobicContact CE1-CG 3.87Å; F415-R419 HydrophobicContact CE2-CG 4.02Å; F415-R419 HydrophobicContact CZ-CG 3.7Å; F415-R419 WeakPolarHBondContact O-CB 3.37Å; F415-R419 VanDerWaalsContact O-CG 3.23Å; F415-R419 WeakPolarHBondContact O-CG 3.38Å; F415-R419 PolarHBondContact O-N 3.31Å; F415-R419 VanDerWaalsContact O-N 3.08Å |
| 416 | L | 82.8 | Confident | 67.9 | Low | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.4 | -49.3 | 178.1 | -77.4 | 168.6 | 0 | 0 | 0 | 111 | F264 P349 V412 F413 G418 R419 L420 V457 L498 | F264-L416 HydrophobicContact CE2-CD2 3.55Å; F264-L416 HydrophobicContact CZ-CD2 3.87Å; P349-L416 HydrophobicContact CB-CD1 4.32Å; P349-L416 HydrophobicContact CB-CD2 4.01Å; P349-L416 HydrophobicContact CB-CG 4.42Å; P349-L416 HydrophobicContact CG-CD1 4.24Å; P349-L416 HydrophobicContact CG-CD2 3.66Å; P349-L416 HydrophobicContact CG-CG 3.9Å; V412-L416 HydrophobicContact CG1-CD1 3.72Å; V412-L416 HydrophobicContact CG1-CG 4.29Å; V412-L416 WeakPolarHBondContact O-CB 3.46Å; V412-L416 VanDerWaalsContact O-CG 3.27Å; V412-L416 WeakPolarHBondContact O-CG 3.31Å; V412-L416 PolarHBondContact O-N 3.38Å; F413-L416 PolarHBondContact O-N 3.09Å; L416-G418 PolarHBondContact O-N 3.28Å; L416-R419 PolarHBondContact O-N 3.14Å; L416-L420 WeakPolarHBondContact O-CG 3.3Å; L416-L420 PolarHBondContact O-N 2.98Å; L416-V457 HydrophobicContact CD1-CG1 4.32Å; L416-V457 HydrophobicContact CD2-CG2 4.16Å; L416-L498 HydrophobicContact CB-CD1 3.74Å; L416-L498 HydrophobicContact CB-CD2 3.87Å; L416-L498 HydrophobicContact CB-CG 4.48Å; L416-L498 HydrophobicContact CD1-CD2 3.63Å; L416-L498 HydrophobicContact CG-CD2 4.39Å |
| 417 | V | 77.5 | Confident | 65.1 | Low | 20 Ų | 20 | 53.3 Ų | 53.3 | 12% | 0.121 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -51.2 | -55 | 173.1 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | F413 R419 L420 D421 L498 R501 | F413-V417 WeakPolarHBondContact O-CB 3.19Å; F413-V417 VanDerWaalsContact O-CG2 3.25Å; F413-V417 WeakPolarHBondContact O-CG2 3.24Å; F413-V417 PolarHBondContact O-N 3.29Å; V417-R419 PolarHBondContact O-N 3.18Å; V417-R419 VanDerWaalsContact O-N 3.1Å; V417-L420 PolarHBondContact O-N 3.27Å; V417-D421 WeakPolarHBondContact O-CB 3.46Å; V417-D421 VanDerWaalsContact O-CG 3.24Å; V417-D421 PolarHBondContact O-N 3.2Å; V417-D421 VanDerWaalsContact O-N 3.09Å; V417-L498 HydrophobicContact CG2-CB 3.93Å; V417-L498 HydrophobicContact CG2-CD1 3.98Å; V417-R501 VanDerWaalsContact CG1-NH1 3.3Å |
| 418 | G | 67.2 | Low | 62.4 | Low | 30 Ų | 30 | 56.1 Ų | 56.1 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -71.5 | 0.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | R414 F415 L416 R422 | R414-G418 PolarHBondContact O-N 3.4Å; F415-G418 PolarHBondContact O-N 3.5Å; L416-G418 PolarHBondContact O-N 3.28Å; G418-R422 WeakPolarHBondContact O-CD 3.4Å; G418-R422 PolarHBondContact O-NE 2.86Å |
| 419 | R | 70.7 | Confident | 60.1 | Low | 30 Ų | 30 | 55 Ų | 55 | 11% | 0.113 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -106.8 | -35.5 | 171.2 | -75 | -75.1 | 174.6 | 160.4 | 0.5 | 112.1 | D260 F264 F415 L416 V417 R422 T423 | D260-R419 VanDerWaalsContact CB-NH1 3.33Å; D260-R419 IonicContact OD2-CZ 3.57Å; D260-R419 IonicContact OD2-NH1 2.72Å; D260-R419 IonicContact OD2-NH2 2.67Å; D260-R419 PolarHBondContact OD2-NH2 3.41Å; F264-R419 HydrophobicContact CE1-CB 4.01Å; F264-R419 HydrophobicContact CZ-CB 4.23Å; F415-R419 HydrophobicContact CD1-CG 4.31Å; F415-R419 HydrophobicContact CD2-CG 4.43Å; F415-R419 HydrophobicContact CE1-CG 3.87Å; F415-R419 HydrophobicContact CE2-CG 4.02Å; F415-R419 HydrophobicContact CZ-CG 3.7Å; F415-R419 WeakPolarHBondContact O-CB 3.37Å; F415-R419 VanDerWaalsContact O-CG 3.23Å; F415-R419 WeakPolarHBondContact O-CG 3.38Å; F415-R419 PolarHBondContact O-N 3.31Å; F415-R419 VanDerWaalsContact O-N 3.08Å; L416-R419 PolarHBondContact O-N 3.14Å; V417-R419 PolarHBondContact O-N 3.18Å; V417-R419 VanDerWaalsContact O-N 3.1Å; R419-R422 WeakPolarHBondContact O-CB 3.27Å; R419-R422 PolarHBondContact O-N 3.06Å; R419-R422 VanDerWaalsContact O-N 3.11Å; R419-T423 PolarHBondContact O-N 3.28Å; R419-T423 VanDerWaalsContact O-N 3.15Å |
| 420 | L | 67.7 | Low | 57.7 | Low | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65 | -42.2 | 172.6 | -67.6 | 173.5 | 0 | 0 | 0 | 110.6 | L416 V417 R422 T423 D424 L498 T502 | L416-L420 WeakPolarHBondContact O-CG 3.3Å; L416-L420 PolarHBondContact O-N 2.98Å; V417-L420 PolarHBondContact O-N 3.27Å; L420-R422 PolarHBondContact O-N 2.81Å; L420-T423 WeakPolarHBondContact CA-OG1 3.46Å; L420-T423 PolarHBondContact O-N 3.1Å; L420-T423 PolarHBondContact O-OG1 3.09Å; L420-T423 VanDerWaalsContact O-OG1 3.09Å; L420-D424 PolarHBondContact O-N 3.18Å; L420-L498 HydrophobicContact CD1-CD1 3.59Å; L420-T502 HydrophobicContact CD1-CG2 3.78Å |
| 421 | D | 56.5 | Low | 55.3 | Low | 48 Ų | 48 | 50.5 Ų | 50.5 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.3 | 3.3 | 168.6 | -67.1 | 12.7 | 0 | 0 | 0 | 114.6 | V417 R501 | V417-D421 WeakPolarHBondContact O-CB 3.46Å; V417-D421 VanDerWaalsContact O-CG 3.24Å; V417-D421 PolarHBondContact O-N 3.2Å; V417-D421 VanDerWaalsContact O-N 3.09Å; D421-R501 IonicContact OD1-CZ 2.74Å; D421-R501 IonicContact OD1-NH1 3.59Å; D421-R501 PolarHBondContact OD1-NH1 2.94Å; D421-R501 IonicContact OD2-CZ 3.21Å; D421-R501 IonicContact OD2-NH1 3.74Å; D421-R501 PolarHBondContact OD2-NH1 3.41Å |
| 422 | R | 49.8 | Very low | 53 | Low | 158 Ų | 158 | 49.2 Ų | 49.2 | 60% | 0.596 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -124.3 | -16.9 | 173.6 | -60.9 | -179.6 | -179.4 | -163.8 | -1.6 | 113.6 | G418 R419 L420 | G418-R422 WeakPolarHBondContact O-CD 3.4Å; G418-R422 PolarHBondContact O-NE 2.86Å; R419-R422 WeakPolarHBondContact O-CB 3.27Å; R419-R422 PolarHBondContact O-N 3.06Å; R419-R422 VanDerWaalsContact O-N 3.11Å; L420-R422 PolarHBondContact O-N 2.81Å |
| 423 | T | 44.5 | Very low | 50.5 | Low | 39 Ų | 39 | 49.2 Ų | 49.2 | 24% | 0.239 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -87 | -27.2 | 170.5 | 50.1 | 0 | 0 | 0 | 0 | 111.8 | R419 L420 | R419-T423 PolarHBondContact O-N 3.28Å; R419-T423 VanDerWaalsContact O-N 3.15Å; L420-T423 WeakPolarHBondContact CA-OG1 3.46Å; L420-T423 PolarHBondContact O-N 3.1Å; L420-T423 PolarHBondContact O-OG1 3.09Å; L420-T423 VanDerWaalsContact O-OG1 3.09Å |
| 424 | D | 37.2 | Very low | 48 | Very low | 32 Ų | 32 | 51.7 Ų | 51.7 | 17% | 0.171 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -85.7 | 131.2 | 156.1 | -67.8 | -28.1 | 0 | 0 | 0 | 109.1 | L420 R426 S450 H454 | L420-D424 PolarHBondContact O-N 3.18Å; D424-R426 HydrophobicContact CB-CB 4.48Å; D424-R426 PolarHBondContact O-N 3.23Å; D424-S450 VanDerWaalsContact OD1-CB 3.26Å; D424-S450 WeakPolarHBondContact OD1-CB 3.46Å; D424-S450 PolarHBondContact OD1-OG 3.43Å; D424-H454 IonicContact OD2-CE1 3.59Å; D424-H454 PolarHBondContact OD2-CE1 3.47Å; D424-H454 IonicContact OD2-NE2 3.74Å |
| 425 | F | 31 | Very low | 45.6 | Very low | 142 Ų | 142 | 44 Ų | 44 | 62% | 0.623 | 22% | 0.223 | S | C | * | . | trans | -78.2 | 66.2 | 169.9 | -82.3 | -81.9 | 0 | 0 | 0 | 109.9 | ||||
| 426 | R | 30.5 | Very low | 43.1 | Very low | 82 Ų | 82 | 45.6 Ų | 45.6 | 31% | 0.309 | 23% | 0.232 | S | C | . | . | trans | -135.2 | 130.8 | 178.3 | -155.3 | 179.6 | -171.8 | 158.4 | 8.2 | 110.3 | D424 E443 | D424-R426 HydrophobicContact CB-CB 4.48Å; D424-R426 PolarHBondContact O-N 3.23Å; R426-E443 IonicContact CZ-OE1 2.77Å; R426-E443 IonicContact NH1-OE1 3.56Å; R426-E443 PolarHBondContact NH1-OE1 3.14Å; R426-E443 IonicContact NH2-OE1 3.76Å; R426-E443 PolarHBondContact NH2-OE1 2.63Å | ||
| 427 | P | 26.2 | Very low | 40.4 | Very low | 41 Ų | 41 | 47 Ų | 47 | 27% | 0.266 | 24% | 0.241 | S | C | . | . | trans | -59.3 | 155.9 | 163.9 | 28.1 | -35.2 | 0 | 0 | 0 | 110.2 | H942 | P427-H942 WeakPolarHBondContact CB-NE2 3.47Å; P427-H942 VanDerWaalsContact CG-CE1 3.43Å; P427-H942 WeakPolarHBondContact CG-CE1 3.31Å | ||
| 428 | P | 25 | Very low | 37.9 | Very low | 80 Ų | 80 | 49 Ų | 49 | 52% | 0.519 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -59.2 | 149.9 | -171.8 | 24.8 | -35.2 | 0 | 0 | 0 | 112.3 | V430 | P428-V430 PolarHBondContact O-N 3.03Š|
| 429 | Q | 28.6 | Very low | 36 | Very low | 70 Ų | 70 | 51.1 Ų | 51.1 | 33% | 0.327 | 26% | 0.263 | S | S | . | . | trans | -50.7 | 102.2 | -170.8 | -69 | 174 | -47.6 | 0 | 0 | 113.8 | R501 | Q429-R501 VanDerWaalsContact OE1-NH2 3.09Š| ||
| 430 | V | 26.9 | Very low | 33.9 | Very low | 16 Ų | 16 | 54.6 Ų | 54.6 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -121.1 | 133.7 | 144.4 | 169.6 | 0 | 0 | 0 | 0 | 103.5 | P428 Q432 L841 P844 | P428-V430 PolarHBondContact O-N 3.03Å; V430-Q432 PolarHBondContact O-N 3.25Å; V430-L841 HydrophobicContact CG2-CD2 3.76Å; V430-P844 HydrophobicContact CG1-CB 4.2Å |
| 431 | S | 30.2 | Very low | 32.1 | Very low | 23 Ų | 23 | 59.2 Ų | 59.2 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | trans | -66 | 103.6 | -167.4 | 64.7 | 0 | 0 | 0 | 0 | 111.1 | M433 S759 N845 | S431-M433 PolarHBondContact O-N 2.69Å; S431-S759 PolarHBondContact OG-OG 2.81Å; S431-N845 WeakPolarHBondContact CB-OD1 3.44Å; S431-N845 PolarHBondContact N-OD1 3.34Å; S431-N845 PolarHBondContact OG-OD1 3.39Å | ||
| 432 | Q | 31.9 | Very low | 30.8 | Very low | 38 Ų | 38 | 59.2 Ų | 59.2 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | trans | -69.2 | 108.1 | 165.4 | -54.4 | 169.2 | -98.8 | 0 | 0 | 105.9 | V430 D434 K763 | V430-Q432 PolarHBondContact O-N 3.25Å; Q432-D434 WeakPolarHBondContact CB-OD1 3.21Å; Q432-K763 PolarHBondContact O-NZ 3.18Å | ||
| 433 | M | 30.6 | Very low | 30 | Very low | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -96.7 | 97.8 | 167 | -50.3 | -171.8 | 81.5 | 0 | 0 | 104.2 | S431 C435 S759 K763 C848 L849 Q852 N949 | S431-M433 PolarHBondContact O-N 2.69Å; M433-C435 PolarHBondContact O-N 3.25Å; M433-C435 VanDerWaalsContact O-N 3.1Å; M433-S759 VanDerWaalsContact CE-OG 3.25Å; M433-S759 WeakPolarHBondContact CE-OG 3.33Å; M433-S759 PolarHBondContact SD-OG 2.92Å; M433-K763 HydrophobicContact CE-CD 4.47Å; M433-K763 HydrophobicContact CE-CG 3.95Å; M433-C848 HydrophobicContact CB-CB 3.99Å; M433-C848 HydrophobicContact CG-CB 3.88Å; M433-C848 HydrophobicContact SD-CB 4.14Å; M433-L849 HydrophobicContact CE-CD2 4.07Å; M433-L849 VanDerWaalsContact SD-CA 3.51Å; M433-L849 HydrophobicContact SD-CB 4.23Å; M433-L849 HydrophobicContact SD-CD2 3.87Å; M433-L849 HydrophobicContact SD-CG 3.74Å; M433-Q852 VanDerWaalsContact C-OE1 3.29Å; M433-Q852 HydrophobicContact CB-CB 3.85Å; M433-Q852 HydrophobicContact CB-CG 4.2Å; M433-Q852 HydrophobicContact CE-CB 3.71Å; M433-Q852 HydrophobicContact CE-CG 3.88Å; M433-Q852 HydrophobicContact SD-CB 4.14Å; M433-N949 PolarHBondContact O-ND2 2.91Å | ||
| 434 | D | 32.3 | Very low | 29.6 | Very low | 53 Ų | 53 | 55.4 Ų | 55.4 | 28% | 0.283 | 30% | 0.297 | S | S | . | . | trans | -77.3 | 96.1 | -174.8 | -69.8 | -10.8 | 0 | 0 | 0 | 108.1 | Q432 N436 Q852 | Q432-D434 WeakPolarHBondContact CB-OD1 3.21Å; D434-N436 VanDerWaalsContact C-N 3.27Å; D434-N436 PolarHBondContact O-N 3.25Å; D434-Q852 PolarHBondContact O-OE1 3.17Å | ||
| 435 | C | 27.5 | Very low | 29.8 | Very low | 7 Ų | 7 | 58.8 Ų | 58.8 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | trans | -64.8 | 77.8 | -177.8 | -72 | 0 | 0 | 0 | 0 | 112.1 | M433 G851 L855 N949 | M433-C435 PolarHBondContact O-N 3.25Å; M433-C435 VanDerWaalsContact O-N 3.1Å; C435-G851 VanDerWaalsContact SG-C 3.6Å; C435-L855 VanDerWaalsContact C-CD1 3.43Å; C435-L855 HydrophobicContact CB-CD1 3.97Å; C435-N949 HydrophobicContact CB-CB 4.35Å; C435-N949 PolarHBondContact SG-O 3.21Å | ||
| 436 | N | 30.7 | Very low | 30.4 | Very low | 47 Ų | 47 | 52.7 Ų | 52.7 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | trans | -98.7 | 116.7 | -173.1 | -99.7 | -65.2 | 0 | 0 | 0 | 114.3 | D434 S438 Y441 | D434-N436 VanDerWaalsContact C-N 3.27Å; D434-N436 PolarHBondContact O-N 3.25Å; N436-S438 PolarHBondContact O-N 2.79Å; N436-Y441 HydrophobicContact CB-CD2 3.86Å; N436-Y441 WeakPolarHBondContact OD1-CD2 3.4Å | ||
| 437 | V | 26.8 | Very low | 31.6 | Very low | 30 Ų | 30 | 49.3 Ų | 49.3 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 96 | 179.1 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | V439 Y956 | V437-V439 PolarHBondContact O-N 2.78Å; V437-Y956 HydrophobicContact CB-CD2 4.24Å; V437-Y956 HydrophobicContact CB-CE2 4.35Å; V437-Y956 HydrophobicContact CG1-CD2 3.73Å; V437-Y956 HydrophobicContact CG1-CE2 3.56Å; V437-Y956 HydrophobicContact CG2-CD2 3.7Å; V437-Y956 HydrophobicContact CG2-CE2 4.3Å; V437-Y956 HydrophobicContact CG2-CG 3.88Å |
| 438 | S | 24.6 | Very low | 33.6 | Very low | 62 Ų | 62 | 47.6 Ų | 47.6 | 43% | 0.434 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 32.9 | 165.3 | 60 | 0 | 0 | 0 | 0 | 117.7 | N436 | N436-S438 PolarHBondContact O-N 2.79Š|
| 439 | V | 26.8 | Very low | 35.8 | Very low | 76 Ų | 76 | 44.4 Ų | 44.4 | 46% | 0.461 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -139.2 | 132.3 | 159.5 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | V437 Y441 | V437-V439 PolarHBondContact O-N 2.78Å; V439-Y441 VanDerWaalsContact C-N 3.35Å; V439-Y441 HydrophobicContact CB-CD2 3.94Å; V439-Y441 HydrophobicContact CB-CE2 3.63Å; V439-Y441 HydrophobicContact CG1-CD2 4.07Å; V439-Y441 HydrophobicContact CG1-CE2 3.83Å; V439-Y441 HydrophobicContact CG2-CE2 4.39Å; V439-Y441 WeakPolarHBondContact O-CD2 3.5Å; V439-Y441 PolarHBondContact O-N 2.78Å |
| 440 | P | 25.6 | Very low | 37.9 | Very low | 102 Ų | 102 | 41.1 Ų | 41.1 | 66% | 0.662 | 23% | 0.231 | S | C | * | . | trans | -76.8 | 82.1 | 179.9 | 31.5 | -35 | 0 | 0 | 0 | 111.5 | S442 | P440-S442 PolarHBondContact O-N 3.15Š| ||
| 441 | Y | 29.9 | Very low | 40.3 | Very low | 97 Ų | 97 | 40.6 Ų | 40.6 | 38% | 0.38 | 23% | 0.228 | S | C | . | . | trans | -75.9 | 103.5 | 170.5 | -71.8 | -84 | 0 | 0 | 0 | 110.4 | N436 V439 | N436-Y441 HydrophobicContact CB-CD2 3.86Å; N436-Y441 WeakPolarHBondContact OD1-CD2 3.4Å; V439-Y441 VanDerWaalsContact C-N 3.35Å; V439-Y441 HydrophobicContact CB-CD2 3.94Å; V439-Y441 HydrophobicContact CB-CE2 3.63Å; V439-Y441 HydrophobicContact CG1-CD2 4.07Å; V439-Y441 HydrophobicContact CG1-CE2 3.83Å; V439-Y441 HydrophobicContact CG2-CE2 4.39Å; V439-Y441 WeakPolarHBondContact O-CD2 3.5Å; V439-Y441 PolarHBondContact O-N 2.78Å | ||
| 442 | S | 29.7 | Very low | 42.6 | Very low | 49 Ų | 49 | 39.5 Ų | 39.5 | 34% | 0.343 | 22% | 0.22 | S | C | . | . | trans | -84.3 | 130.8 | 172.2 | 56.1 | 0 | 0 | 0 | 0 | 111.4 | P440 F444 | P440-S442 PolarHBondContact O-N 3.15Å; S442-F444 VanDerWaalsContact C-N 3.29Å; S442-F444 VanDerWaalsContact CB-CE2 3.47Å; S442-F444 PolarHBondContact O-N 2.85Å; S442-F444 WeakPolarHBondContact OG-CD2 3.39Å; S442-F444 WeakPolarHBondContact OG-CE2 3.35Å | ||
| 443 | E | 33 | Very low | 45 | Very low | 70 Ų | 70 | 37.8 Ų | 37.8 | 33% | 0.327 | 21% | 0.213 | S | C | . | . | trans | -66.3 | 60.8 | -171.4 | -61.4 | 163.6 | 67.8 | 0 | 0 | 115.6 | R426 K763 | R426-E443 IonicContact CZ-OE1 2.77Å; R426-E443 IonicContact NH1-OE1 3.56Å; R426-E443 PolarHBondContact NH1-OE1 3.14Å; R426-E443 IonicContact NH2-OE1 3.76Å; R426-E443 PolarHBondContact NH2-OE1 2.63Å; E443-K763 IonicContact OE1-NZ 2.82Å; E443-K763 IonicContact OE2-NZ 3.36Å; E443-K763 PolarHBondContact OE2-NZ 3.04Å | ||
| 444 | F | 35.6 | Very low | 47.6 | Very low | 47 Ų | 47 | 38 Ų | 38 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | trans | -111 | 82.4 | -177.2 | -56.2 | -40.5 | 0 | 0 | 0 | 113 | S442 T508 S1141 | S442-F444 VanDerWaalsContact C-N 3.29Å; S442-F444 VanDerWaalsContact CB-CE2 3.47Å; S442-F444 PolarHBondContact O-N 2.85Å; S442-F444 WeakPolarHBondContact OG-CD2 3.39Å; S442-F444 WeakPolarHBondContact OG-CE2 3.35Å; F444-T508 HydrophobicContact CE1-CG2 3.53Å; F444-T508 HydrophobicContact CZ-CG2 3.87Å; F444-S1141 WeakPolarHBondContact O-CB 3.47Å; F444-S1141 PolarHBondContact O-OG 3.32Å | ||
| 445 | N | 41.5 | Very low | 50 | Low | 102 Ų | 102 | 36.1 Ų | 36.1 | 55% | 0.545 | 21% | 0.205 | S | C | . | . | trans | -101.4 | 2.8 | 165.9 | -73.5 | -16.8 | 0 | 0 | 0 | 113 | S447 | N445-S447 PolarHBondContact O-N 3.22Š| ||
| 446 | A | 44.4 | Very low | 52.8 | Low | 14 Ų | 14 | 35.8 Ų | 35.8 | 12% | 0.116 | 20% | 0.202 | C | C | . | . | trans | -62.6 | 117.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | V505 | A446-V505 HydrophobicContact CB-CG1 4.47Š| ||
| 447 | S | 56 | Low | 55.5 | Low | 11 Ų | 11 | 33.6 Ų | 33.6 | 8% | 0.077 | 19% | 0.191 | C | C | . | . | trans | -59.1 | 152.8 | 171.2 | 56.8 | 0 | 0 | 0 | 0 | 110.5 | N445 V449 S450 L451 F1138 | N445-S447 PolarHBondContact O-N 3.22Å; S447-V449 PolarHBondContact O-N 2.99Å; S447-V449 VanDerWaalsContact O-N 3.09Å; S447-S450 CarbonylContact O-C 3.54Å; S447-S450 WeakPolarHBondContact O-CA 3.45Å; S447-S450 WeakPolarHBondContact O-CB 3.23Å; S447-S450 PolarHBondContact O-N 3.32Å; S447-S450 VanDerWaalsContact OG-CB 3.3Å; S447-S450 WeakPolarHBondContact OG-CB 3.45Å; S447-S450 PolarHBondContact OG-N 3.1Å; S447-L451 PolarHBondContact O-N 3.38Å; S447-F1138 WeakPolarHBondContact CB-O 3.26Å | ||
| 448 | L | 68.3 | Low | 58.4 | Low | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.1 | -29.2 | 170 | -68.9 | 173.8 | 0 | 0 | 0 | 111.3 | C126 W128 H129 L215 L451 A452 M1140 | C126-L448 HydrophobicContact CB-CD1 4.1Å; W128-L448 HydrophobicContact CH2-CB 4.27Å; W128-L448 HydrophobicContact CH2-CD2 3.74Å; W128-L448 HydrophobicContact CH2-CG 4.48Å; W128-L448 HydrophobicContact CZ3-CD2 4.07Å; H129-L448 HydrophobicContact CB-CD2 4.13Å; H129-L448 WeakPolarHBondContact CD2-CD2 3.47Å; L215-L448 HydrophobicContact CD2-CB 3.66Å; L215-L448 WeakPolarHBondContact CD2-O 3.26Å; L448-L451 HydrophobicContact CD2-CD2 4.48Å; L448-A452 WeakPolarHBondContact O-CB 3.27Å; L448-A452 PolarHBondContact O-N 3.46Å; L448-M1140 HydrophobicContact CB-CB 4.08Å; L448-M1140 HydrophobicContact CD1-CB 3.65Å; L448-M1140 HydrophobicContact CD1-CE 3.61Å; L448-M1140 HydrophobicContact CD1-CG 4.09Å; L448-M1140 HydrophobicContact CG-CB 3.52Å; L448-M1140 HydrophobicContact CG-CG 4.35Å |
| 449 | V | 71.8 | Confident | 61.3 | Low | 13 Ų | 13 | 29.4 Ų | 29.4 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.6 | -50.3 | 171.1 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | E211 L214 L215 S447 L451 A452 T453 | E211-V449 HydrophobicContact CB-CG2 4.01Å; E211-V449 HydrophobicContact CG-CG1 3.84Å; E211-V449 HydrophobicContact CG-CG2 4.03Å; L214-V449 HydrophobicContact CD2-CG1 4.36Å; L215-V449 HydrophobicContact CD1-CG2 3.93Å; L215-V449 HydrophobicContact CG-CG2 4.39Å; S447-V449 PolarHBondContact O-N 2.99Å; S447-V449 VanDerWaalsContact O-N 3.09Å; V449-L451 PolarHBondContact O-N 2.97Å; V449-A452 CarbonylContact O-C 3.55Å; V449-A452 PolarHBondContact O-N 3.48Å; V449-A452 VanDerWaalsContact O-N 3.13Å; V449-T453 HydrophobicContact CG1-CG2 4.32Å; V449-T453 WeakPolarHBondContact O-CG2 3.4Å; V449-T453 PolarHBondContact O-N 3.18Å |
| 450 | S | 72.3 | Confident | 64.2 | Low | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 174.8 | -173.4 | 0 | 0 | 0 | 0 | 112.9 | D424 S447 A452 T453 H454 | D424-S450 VanDerWaalsContact OD1-CB 3.26Å; D424-S450 WeakPolarHBondContact OD1-CB 3.46Å; D424-S450 PolarHBondContact OD1-OG 3.43Å; S447-S450 CarbonylContact O-C 3.54Å; S447-S450 WeakPolarHBondContact O-CA 3.45Å; S447-S450 WeakPolarHBondContact O-CB 3.23Å; S447-S450 PolarHBondContact O-N 3.32Å; S447-S450 VanDerWaalsContact OG-CB 3.3Å; S447-S450 WeakPolarHBondContact OG-CB 3.45Å; S447-S450 PolarHBondContact OG-N 3.1Å; S450-A452 VanDerWaalsContact C-N 3.3Å; S450-A452 PolarHBondContact O-N 3.38Å; S450-T453 WeakPolarHBondContact CA-OG1 2.97Å; S450-T453 PolarHBondContact O-N 2.9Å; S450-T453 PolarHBondContact O-OG1 3.21Å; S450-H454 WeakPolarHBondContact O-CB 3.43Å; S450-H454 PolarHBondContact O-N 3.24Å; S450-H454 PolarHBondContact O-ND1 3.1Å; S450-H454 PolarHBondContact OG-CE1 2.96Å; S450-H454 VanDerWaalsContact OG-CE1 3.23Å; S450-H454 PolarHBondContact OG-ND1 3.42Å |
| 451 | L | 76 | Confident | 67.1 | Low | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.026 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 172.2 | 177.6 | 56 | 0 | 0 | 0 | 111 | W128 S447 L448 V449 S455 V505 N509 | W128-L451 HydrophobicContact CH2-CD2 4.22Å; W128-L451 HydrophobicContact CZ3-CD2 3.96Å; S447-L451 PolarHBondContact O-N 3.38Å; L448-L451 HydrophobicContact CD2-CD2 4.48Å; V449-L451 PolarHBondContact O-N 2.97Å; L451-S455 VanDerWaalsContact O-CB 3.24Å; L451-S455 WeakPolarHBondContact O-CB 3.46Å; L451-S455 PolarHBondContact O-N 3.14Å; L451-S455 PolarHBondContact O-OG 3.41Å; L451-V505 HydrophobicContact CD1-CG1 4.34Å; L451-N509 HydrophobicContact CD1-CB 3.57Å; L451-N509 HydrophobicContact CD2-CB 3.7Å; L451-N509 HydrophobicContact CG-CB 4.27Å |
| 452 | A | 79.2 | Confident | 69.7 | Low | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -70.6 | -34.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L214 L215 H218 L448 V449 S450 A456 | L214-A452 HydrophobicContact CD1-CB 4.41Å; L214-A452 HydrophobicContact CD2-CB 3.98Å; L214-A452 HydrophobicContact CG-CB 3.87Å; L215-A452 HydrophobicContact CD2-CB 4.34Å; H218-A452 HydrophobicContact CB-CB 4.14Å; L448-A452 WeakPolarHBondContact O-CB 3.27Å; L448-A452 PolarHBondContact O-N 3.46Å; V449-A452 CarbonylContact O-C 3.55Å; V449-A452 PolarHBondContact O-N 3.48Å; V449-A452 VanDerWaalsContact O-N 3.13Å; S450-A452 VanDerWaalsContact C-N 3.3Å; S450-A452 PolarHBondContact O-N 3.38Å; A452-A456 WeakPolarHBondContact O-CB 3.33Å; A452-A456 PolarHBondContact O-N 2.96Å |
| 453 | T | 83.2 | Confident | 72.2 | Confident | 3 Ų | 3 | 14.1 Ų | 14.1 | 2% | 0.018 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -67.8 | -50.4 | 174.2 | 69.7 | 0 | 0 | 0 | 0 | 110.8 | L214 L268 V449 S450 S455 A456 V457 | L214-T453 HydrophobicContact CD2-CG2 4.01Å; L268-T453 HydrophobicContact CD1-CG2 3.49Å; L268-T453 VanDerWaalsContact CD1-CG2 3.49Å; V449-T453 HydrophobicContact CG1-CG2 4.32Å; V449-T453 WeakPolarHBondContact O-CG2 3.4Å; V449-T453 PolarHBondContact O-N 3.18Å; S450-T453 WeakPolarHBondContact CA-OG1 2.97Å; S450-T453 PolarHBondContact O-N 2.9Å; S450-T453 PolarHBondContact O-OG1 3.21Å; T453-S455 VanDerWaalsContact C-N 3.34Å; T453-S455 PolarHBondContact O-N 3.13Å; T453-A456 PolarHBondContact O-N 3.33Å; T453-V457 WeakPolarHBondContact O-CG2 3.28Å; T453-V457 PolarHBondContact O-N 3.18Å |
| 454 | H | 84.2 | Confident | 74.6 | Confident | 4 Ų | 4 | 11.1 Ų | 11.1 | 2% | 0.019 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.1 | -41.4 | 177.7 | -76.6 | 96.3 | 0 | 0 | 0 | 111.7 | D424 S450 V457 F458 V505 | D424-H454 IonicContact OD2-CE1 3.59Å; D424-H454 PolarHBondContact OD2-CE1 3.47Å; D424-H454 IonicContact OD2-NE2 3.74Å; S450-H454 WeakPolarHBondContact O-CB 3.43Å; S450-H454 PolarHBondContact O-N 3.24Å; S450-H454 PolarHBondContact O-ND1 3.1Å; S450-H454 PolarHBondContact OG-CE1 2.96Å; S450-H454 VanDerWaalsContact OG-CE1 3.23Å; S450-H454 PolarHBondContact OG-ND1 3.42Å; H454-V457 PolarHBondContact O-N 2.84Å; H454-F458 VanDerWaalsContact O-CB 3.23Å; H454-F458 WeakPolarHBondContact O-CB 3.31Å; H454-F458 PolarHBondContact O-N 3Å; H454-V505 HydrophobicContact CB-CB 3.94Å; H454-V505 HydrophobicContact CB-CG1 3.77Å |
| 455 | S | 83.5 | Confident | 76.7 | Confident | 13 Ų | 13 | 9.9 Ų | 9.9 | 9% | 0.091 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.1 | -46.5 | 173.9 | -59.8 | 0 | 0 | 0 | 0 | 112 | H218 L451 T453 V457 F458 D459 | H218-S455 PolarHBondContact CE1-OG 3.35Å; L451-S455 VanDerWaalsContact O-CB 3.24Å; L451-S455 WeakPolarHBondContact O-CB 3.46Å; L451-S455 PolarHBondContact O-N 3.14Å; L451-S455 PolarHBondContact O-OG 3.41Å; T453-S455 VanDerWaalsContact C-N 3.34Å; T453-S455 PolarHBondContact O-N 3.13Å; S455-V457 VanDerWaalsContact C-N 3.34Å; S455-V457 PolarHBondContact O-N 3.37Å; S455-F458 WeakPolarHBondContact O-CB 3.38Å; S455-F458 PolarHBondContact O-N 3.28Å; S455-D459 WeakPolarHBondContact O-CB 3.49Å; S455-D459 PolarHBondContact O-N 2.95Å |
| 456 | A | 85.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.6 | -38.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L268 I271 R272 A452 T453 D459 L460 | L268-A456 HydrophobicContact CB-CB 4.46Å; L268-A456 HydrophobicContact CD2-CB 4.11Å; I271-A456 HydrophobicContact CG2-CB 4.37Å; I271-A456 WeakPolarHBondContact CG2-O 3.45Å; R272-A456 HydrophobicContact CB-CB 4.11Å; A452-A456 WeakPolarHBondContact O-CB 3.33Å; A452-A456 PolarHBondContact O-N 2.96Å; T453-A456 PolarHBondContact O-N 3.33Å; A456-D459 PolarHBondContact O-N 3.11Å; A456-L460 PolarHBondContact O-N 3.1Å |
| 457 | V | 88.2 | Confident | 79.4 | Confident | 2 Ų | 2 | 10.4 Ų | 10.4 | 1% | 0.012 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -69.7 | -41.1 | 174.4 | -178.4 | 0 | 0 | 0 | 0 | 111 | L268 L416 T453 H454 S455 D459 L460 V461 L498 T502 | L268-V457 HydrophobicContact CD2-CG2 3.65Å; L416-V457 HydrophobicContact CD1-CG1 4.32Å; L416-V457 HydrophobicContact CD2-CG2 4.16Å; T453-V457 WeakPolarHBondContact O-CG2 3.28Å; T453-V457 PolarHBondContact O-N 3.18Å; H454-V457 PolarHBondContact O-N 2.84Å; S455-V457 VanDerWaalsContact C-N 3.34Å; S455-V457 PolarHBondContact O-N 3.37Å; V457-D459 VanDerWaalsContact C-N 3.3Å; V457-D459 PolarHBondContact O-N 3.09Å; V457-L460 PolarHBondContact O-N 3.02Å; V457-V461 HydrophobicContact CG1-CG2 3.94Å; V457-V461 VanDerWaalsContact O-CB 3.23Å; V457-V461 WeakPolarHBondContact O-CB 3.29Å; V457-V461 VanDerWaalsContact O-CG2 3.26Å; V457-V461 WeakPolarHBondContact O-CG2 3.48Å; V457-V461 PolarHBondContact O-N 3.26Å; V457-L498 HydrophobicContact CG1-CD1 4.03Å; V457-L498 HydrophobicContact CG1-CD2 3.95Å; V457-L498 HydrophobicContact CG1-CG 4.09Å; V457-T502 HydrophobicContact CB-CG2 3.93Å; V457-T502 HydrophobicContact CG1-CG2 3.86Å |
| 458 | F | 87.1 | Confident | 79.8 | Confident | 1 Ų | 1 | 11.7 Ų | 11.7 | 0% | 0.004 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.3 | -38.8 | 174.6 | -173 | -119.1 | 0 | 0 | 0 | 112 | H454 S455 V461 T462 F499 L503 V506 R542 I543 | H454-F458 VanDerWaalsContact O-CB 3.23Å; H454-F458 WeakPolarHBondContact O-CB 3.31Å; H454-F458 PolarHBondContact O-N 3Å; S455-F458 WeakPolarHBondContact O-CB 3.38Å; S455-F458 PolarHBondContact O-N 3.28Å; F458-V461 PolarHBondContact O-N 3.03Å; F458-T462 HydrophobicContact CD1-CG2 4.36Å; F458-T462 HydrophobicContact CD2-CG2 3.81Å; F458-T462 HydrophobicContact CE1-CG2 4.04Å; F458-T462 HydrophobicContact CE2-CG2 3.43Å; F458-T462 VanDerWaalsContact CE2-CG2 3.43Å; F458-T462 HydrophobicContact CG-CG2 4.24Å; F458-T462 HydrophobicContact CZ-CG2 3.55Å; F458-T462 WeakPolarHBondContact O-CB 3.26Å; F458-T462 WeakPolarHBondContact O-CG2 3.41Å; F458-T462 PolarHBondContact O-N 3.41Å; F458-T462 PolarHBondContact O-OG1 3.23Å; F458-F499 HydrophobicContact CE2-CE1 4.27Å; F458-F499 HydrophobicContact CE2-CZ 4.33Å; F458-L503 HydrophobicContact CD2-CB 4.47Å; F458-L503 HydrophobicContact CE2-CB 4.02Å; F458-L503 HydrophobicContact CE2-CD1 3.78Å; F458-L503 HydrophobicContact CE2-CG 4.47Å; F458-L503 HydrophobicContact CZ-CD1 3.72Å; F458-V506 HydrophobicContact CB-CG2 4.17Å; F458-V506 HydrophobicContact CD1-CB 4.38Å; F458-V506 HydrophobicContact CD1-CG1 4.12Å; F458-V506 HydrophobicContact CD1-CG2 4.1Å; F458-V506 HydrophobicContact CE1-CG1 4.2Å; F458-V506 HydrophobicContact CG-CG2 4.24Å; F458-R542 VanDerWaalsContact C-NH2 3.32Å; F458-R542 PolarHBondContact O-NH2 2.83Å; F458-I543 HydrophobicContact CZ-CD1 4.11Å; F458-I543 HydrophobicContact CZ-CG1 4.13Å |
| 459 | D | 84.7 | Confident | 79.8 | Confident | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.011 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.2 | -52.8 | 173.3 | -66.1 | -22.1 | 0 | 0 | 0 | 112.2 | R272 L276 S455 A456 V457 V461 T462 L463 R542 | R272-D459 WeakPolarHBondContact CD-OD2 3.17Å; R272-D459 IonicContact CZ-OD2 2.7Å; R272-D459 IonicContact NE-OD2 2.65Å; R272-D459 IonicContact NH1-OD1 2.75Å; R272-D459 IonicContact NH1-OD2 2.99Å; R272-D459 PolarHBondContact NH1-OD2 3.46Å; L276-D459 HydrophobicContact CB-CB 4.22Å; S455-D459 WeakPolarHBondContact O-CB 3.49Å; S455-D459 PolarHBondContact O-N 2.95Å; A456-D459 PolarHBondContact O-N 3.11Å; V457-D459 VanDerWaalsContact C-N 3.3Å; V457-D459 PolarHBondContact O-N 3.09Å; D459-V461 PolarHBondContact O-N 2.94Å; D459-T462 PolarHBondContact O-OG1 3.07Å; D459-L463 PolarHBondContact O-N 2.98Å; D459-R542 IonicContact OD1-CZ 3.46Å; D459-R542 VanDerWaalsContact OD1-CZ 3.23Å; D459-R542 IonicContact OD1-NH1 2.74Å; D459-R542 PolarHBondContact OD1-NH1 3.46Å; D459-R542 IonicContact OD1-NH2 3.71Å; D459-R542 PolarHBondContact OD1-NH2 3.38Å |
| 460 | L | 87.9 | Confident | 79.7 | Confident | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.4 | -45.7 | 175.3 | 174.6 | 58.3 | 0 | 0 | 0 | 112.5 | I271 L352 F353 V356 A456 V457 L463 L464 | I271-L460 HydrophobicContact CD1-CD2 4.03Å; I271-L460 HydrophobicContact CG2-CB 4.09Å; L352-L460 HydrophobicContact CB-CD2 4.4Å; L352-L460 HydrophobicContact CD2-CD2 4.16Å; L352-L460 HydrophobicContact CG-CD2 4.32Å; F353-L460 HydrophobicContact CB-CD1 4.19Å; F353-L460 HydrophobicContact CB-CD2 4.35Å; F353-L460 HydrophobicContact CD2-CD1 4.43Å; V356-L460 HydrophobicContact CB-CD1 3.92Å; V356-L460 HydrophobicContact CG1-CD1 4.19Å; V356-L460 HydrophobicContact CG2-CD1 3.89Å; A456-L460 PolarHBondContact O-N 3.1Å; V457-L460 PolarHBondContact O-N 3.02Å; L460-L463 PolarHBondContact O-N 3.42Å; L460-L464 PolarHBondContact O-N 3.09Å |
| 461 | V | 87.6 | Confident | 79.6 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -71.2 | -37.6 | -173.1 | 161.9 | 0 | 0 | 0 | 0 | 112.3 | V457 F458 D459 A465 F495 L498 F499 | V457-V461 HydrophobicContact CG1-CG2 3.94Å; V457-V461 VanDerWaalsContact O-CB 3.23Å; V457-V461 WeakPolarHBondContact O-CB 3.29Å; V457-V461 VanDerWaalsContact O-CG2 3.26Å; V457-V461 WeakPolarHBondContact O-CG2 3.48Å; V457-V461 PolarHBondContact O-N 3.26Å; F458-V461 PolarHBondContact O-N 3.03Å; D459-V461 PolarHBondContact O-N 2.94Å; V461-A465 WeakPolarHBondContact O-CB 3.5Å; V461-A465 PolarHBondContact O-N 3.16Å; V461-F495 HydrophobicContact CB-CE2 4.46Å; V461-F495 HydrophobicContact CG1-CD2 4.42Å; V461-F495 HydrophobicContact CG1-CE2 3.73Å; V461-F495 HydrophobicContact CG1-CZ 4.17Å; V461-L498 HydrophobicContact CG2-CD2 3.86Å; V461-L498 HydrophobicContact CG2-CG 4.38Å; V461-F499 HydrophobicContact CG1-CB 4.09Å; V461-F499 HydrophobicContact CG1-CD2 3.31Å; V461-F499 HydrophobicContact CG1-CE2 4Å; V461-F499 HydrophobicContact CG1-CG 4.01Å |
| 462 | T | 84.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -71.9 | -30.9 | 174.9 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | F458 D459 R466 F499 R542 | F458-T462 HydrophobicContact CD1-CG2 4.36Å; F458-T462 HydrophobicContact CD2-CG2 3.81Å; F458-T462 HydrophobicContact CE1-CG2 4.04Å; F458-T462 HydrophobicContact CE2-CG2 3.43Å; F458-T462 VanDerWaalsContact CE2-CG2 3.43Å; F458-T462 HydrophobicContact CG-CG2 4.24Å; F458-T462 HydrophobicContact CZ-CG2 3.55Å; F458-T462 WeakPolarHBondContact O-CB 3.26Å; F458-T462 WeakPolarHBondContact O-CG2 3.41Å; F458-T462 PolarHBondContact O-N 3.41Å; F458-T462 PolarHBondContact O-OG1 3.23Å; D459-T462 PolarHBondContact O-OG1 3.07Å; T462-R466 PolarHBondContact O-N 2.89Å; T462-F499 HydrophobicContact CG2-CE2 4.04Å; T462-F499 HydrophobicContact CG2-CZ 4Å; T462-R542 HydrophobicContact CG2-CB 4.07Å; T462-R542 PolarHBondContact OG1-NE 3.01Å; T462-R542 VanDerWaalsContact OG1-NE 3.17Å; T462-R542 PolarHBondContact OG1-NH2 2.76Å |
| 463 | L | 82.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -72.4 | -40.6 | 173.1 | -172.7 | 58.6 | 0 | 0 | 0 | 111.1 | L276 L281 F282 V356 A360 D459 L460 A465 R466 D467 | L276-L463 HydrophobicContact CB-CD2 4.28Å; L276-L463 HydrophobicContact CD1-CD2 4.2Å; L276-L463 HydrophobicContact CD2-CD2 3.98Å; L276-L463 HydrophobicContact CG-CD2 4.38Å; L281-L463 HydrophobicContact CB-CD1 4.29Å; L281-L463 HydrophobicContact CD1-CD2 4.35Å; F282-L463 HydrophobicContact CZ-CD1 4.49Å; V356-L463 HydrophobicContact CG1-CB 3.98Å; V356-L463 HydrophobicContact CG1-CD2 3.86Å; V356-L463 HydrophobicContact CG1-CG 3.73Å; A360-L463 HydrophobicContact CB-CD1 4.46Å; A360-L463 HydrophobicContact CB-CD2 4.28Å; D459-L463 PolarHBondContact O-N 2.98Å; L460-L463 PolarHBondContact O-N 3.42Å; L463-A465 VanDerWaalsContact C-N 3.29Å; L463-A465 PolarHBondContact O-N 2.76Å; L463-R466 WeakPolarHBondContact O-CB 3.41Å; L463-R466 PolarHBondContact O-N 3.31Å; L463-R466 VanDerWaalsContact O-N 3.14Å; L463-D467 PolarHBondContact O-N 3.07Å |
| 464 | L | 83.5 | Confident | 78.5 | Confident | 7 Ų | 7 | 22.9 Ų | 22.9 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.8 | -42.6 | 171.5 | -169.9 | 152.7 | 0 | 0 | 0 | 111.5 | L352 V356 L460 R466 D467 V468 L473 F495 | L352-L464 HydrophobicContact CD1-CD1 3.74Å; L352-L464 HydrophobicContact CD2-CD1 4.3Å; L352-L464 HydrophobicContact CG-CD1 4.21Å; V356-L464 HydrophobicContact CG2-CB 3.9Å; V356-L464 HydrophobicContact CG2-CD1 3.78Å; V356-L464 HydrophobicContact CG2-CG 4.06Å; L460-L464 PolarHBondContact O-N 3.09Å; L464-R466 PolarHBondContact O-N 2.78Å; L464-D467 PolarHBondContact O-N 3.22Å; L464-V468 HydrophobicContact CD2-CB 3.99Å; L464-V468 HydrophobicContact CD2-CG1 4.44Å; L464-V468 HydrophobicContact CD2-CG2 4.31Å; L464-V468 HydrophobicContact CG-CB 4.27Å; L464-V468 HydrophobicContact CG-CG2 4.05Å; L464-V468 WeakPolarHBondContact O-CB 3.16Å; L464-V468 PolarHBondContact O-N 2.85Å; L464-L473 HydrophobicContact CD2-CD2 4.29Å; L464-F495 HydrophobicContact CD2-CD2 4.3Å; L464-F495 HydrophobicContact CD2-CE2 3.64Å; L464-F495 HydrophobicContact CD2-CZ 3.97Å |
| 465 | A | 79 | Confident | 77.5 | Confident | 21 Ų | 21 | 26.8 Ų | 26.8 | 17% | 0.174 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.5 | -19.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V461 L463 F495 F499 L546 | V461-A465 WeakPolarHBondContact O-CB 3.5Å; V461-A465 PolarHBondContact O-N 3.16Å; L463-A465 VanDerWaalsContact C-N 3.29Å; L463-A465 PolarHBondContact O-N 2.76Å; A465-F495 HydrophobicContact CB-CZ 4.14Å; A465-F499 HydrophobicContact CB-CE2 4.06Å; A465-L546 HydrophobicContact CB-CB 4.28Å; A465-L546 HydrophobicContact CB-CD1 3.59Å |
| 466 | R | 74.9 | Confident | 76.3 | Confident | 99 Ų | 99 | 32 Ų | 32 | 37% | 0.374 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -85.5 | -46.2 | 177.7 | -179.2 | -174.6 | 173 | -103.9 | 14 | 111.9 | L281 F282 N284 T462 L463 L464 | L281-R466 WeakPolarHBondContact O-CD 3.18Å; L281-R466 PolarHBondContact O-NE 3.23Å; L281-R466 PolarHBondContact O-NH1 3.15Å; L281-R466 PolarHBondContact O-NH2 3.24Å; F282-R466 HydrophobicContact CE1-CB 4.49Å; N284-R466 PolarHBondContact OD1-NH2 2.65Å; T462-R466 PolarHBondContact O-N 2.89Å; L463-R466 WeakPolarHBondContact O-CB 3.41Å; L463-R466 PolarHBondContact O-N 3.31Å; L463-R466 VanDerWaalsContact O-N 3.14Å; L464-R466 PolarHBondContact O-N 2.78Å |
| 467 | D | 67 | Low | 74.6 | Confident | 28 Ų | 28 | 37.3 Ų | 37.3 | 15% | 0.15 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -96.5 | -18.9 | -167.8 | -58.6 | -17.3 | 0 | 0 | 0 | 112.8 | A360 L463 L464 | A360-D467 WeakPolarHBondContact CA-OD2 3.36Å; A360-D467 WeakPolarHBondContact CB-OD2 3.31Å; L463-D467 PolarHBondContact O-N 3.07Å; L464-D467 PolarHBondContact O-N 3.22Å |
| 468 | V | 65.2 | Low | 72.9 | Confident | 38 Ų | 38 | 38.3 Ų | 38.3 | 23% | 0.23 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -112 | 120.2 | -179.6 | -177 | 0 | 0 | 0 | 0 | 110.7 | L464 L470 L473 | L464-V468 HydrophobicContact CD2-CB 3.99Å; L464-V468 HydrophobicContact CD2-CG1 4.44Å; L464-V468 HydrophobicContact CD2-CG2 4.31Å; L464-V468 HydrophobicContact CG-CB 4.27Å; L464-V468 HydrophobicContact CG-CG2 4.05Å; L464-V468 WeakPolarHBondContact O-CB 3.16Å; L464-V468 PolarHBondContact O-N 2.85Å; V468-L470 PolarHBondContact O-N 3.49Å; V468-L473 HydrophobicContact CG1-CD2 4.08Å |
| 469 | A | 68 | Low | 71.2 | Confident | 63 Ų | 63 | 41.8 Ų | 41.8 | 52% | 0.521 | 25% | 0.247 | S | C | . | . | trans | -63.2 | 122.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | W471 S472 | A469-W471 PolarHBondContact O-N 3.13Å; A469-S472 WeakPolarHBondContact O-CB 3.27Å; A469-S472 PolarHBondContact O-N 2.86Å; A469-S472 PolarHBondContact O-OG 3.45Å | ||
| 470 | L | 69.9 | Low | 69.3 | Low | 14 Ų | 14 | 47.4 Ų | 47.4 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -45.3 | -43.5 | -174 | -173.5 | 79.3 | 0 | 0 | 0 | 113.9 | V468 S472 L473 R492 F495 L496 L550 | V468-L470 PolarHBondContact O-N 3.49Å; L470-S472 PolarHBondContact O-N 3.43Å; L470-L473 PolarHBondContact O-N 3.19Å; L470-R492 HydrophobicContact CD1-CG 4.42Å; L470-R492 HydrophobicContact CD2-CG 4.33Å; L470-R492 HydrophobicContact CG-CG 4.17Å; L470-F495 HydrophobicContact CD1-CD1 3.76Å; L470-F495 HydrophobicContact CD1-CE1 3.72Å; L470-L496 HydrophobicContact CD1-CD1 4.45Å; L470-L496 HydrophobicContact CD1-CD2 4.04Å; L470-L496 HydrophobicContact CD1-CG 4.29Å; L470-L496 HydrophobicContact CD2-CD1 4.46Å; L470-L550 HydrophobicContact CD2-CD2 3.5Å; L470-L550 HydrophobicContact CD2-CG 4.35Å |
| 471 | W | 69.8 | Low | 67.3 | Low | 75 Ų | 75 | 52 Ų | 52 | 28% | 0.284 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -73.6 | -4.6 | -177.1 | -52.9 | 105 | 0 | 0 | 0 | 114.8 | A469 R492 L678 | A469-W471 PolarHBondContact O-N 3.13Å; W471-R492 VanDerWaalsContact CZ3-NE 3.25Å; W471-L678 HydrophobicContact CD2-CD1 4.48Å; W471-L678 HydrophobicContact CD2-CD2 3.65Å; W471-L678 HydrophobicContact CE3-CD2 3.97Å; W471-L678 HydrophobicContact CG-CD2 3.9Å; W471-L678 HydrophobicContact CZ2-CD1 4.03Å; W471-L678 HydrophobicContact CZ2-CD2 4.33Å; W471-L678 HydrophobicContact CZ3-CD2 4.42Å |
| 472 | S | 72.6 | Confident | 65.3 | Low | 76 Ų | 76 | 60.4 Ų | 60.4 | 53% | 0.531 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -93.1 | -7.5 | 176.5 | 68.8 | 0 | 0 | 0 | 0 | 114.3 | A469 L470 D474 | A469-S472 WeakPolarHBondContact O-CB 3.27Å; A469-S472 PolarHBondContact O-N 2.86Å; A469-S472 PolarHBondContact O-OG 3.45Å; L470-S472 PolarHBondContact O-N 3.43Å; S472-D474 VanDerWaalsContact C-N 3.25Å; S472-D474 PolarHBondContact O-N 3.11Å |
| 473 | L | 72.9 | Confident | 63.6 | Low | 12 Ų | 12 | 66.2 Ų | 66.2 | 6% | 0.063 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -67.3 | -24.1 | 178.8 | -67.3 | 174.2 | 0 | 0 | 0 | 113.5 | I407 F413 L464 V468 L470 N491 F495 | I407-L473 HydrophobicContact CD1-CD2 4.05Å; F413-L473 HydrophobicContact CZ-CD2 4.5Å; L464-L473 HydrophobicContact CD2-CD2 4.29Å; V468-L473 HydrophobicContact CG1-CD2 4.08Å; L470-L473 PolarHBondContact O-N 3.19Å; L473-N491 HydrophobicContact CB-CB 4.34Å; L473-F495 HydrophobicContact CD1-CB 4.09Å; L473-F495 HydrophobicContact CD1-CD1 4.01Å; L473-F495 HydrophobicContact CD1-CG 3.97Å |
| 474 | D | 70.8 | Confident | 61.9 | Low | 23 Ų | 23 | 69 Ų | 69 | 12% | 0.123 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -113.9 | 127.5 | 178.5 | -81.4 | -67.3 | 0 | 0 | 0 | 110 | S472 N476 Y489 N491 R492 | S472-D474 VanDerWaalsContact C-N 3.25Å; S472-D474 PolarHBondContact O-N 3.11Å; D474-N476 PolarHBondContact O-N 3.21Å; D474-Y489 HydrophobicContact CB-CD1 3.9Å; D474-N491 PolarHBondContact OD1-N 2.92Å; D474-N491 PolarHBondContact OD1-ND2 3.35Å; D474-N491 PolarHBondContact OD2-N 3.2Å; D474-R492 PolarHBondContact OD2-N 2.93Å |
| 475 | S | 61.5 | Low | 60.3 | Low | 86 Ų | 86 | 70.8 Ų | 70.8 | 60% | 0.601 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -78.4 | 15.3 | -162.2 | 71.2 | 0 | 0 | 0 | 0 | 116 | ||
| 476 | N | 58.6 | Low | 58.9 | Low | 122 Ų | 122 | 71.8 Ų | 71.8 | 65% | 0.652 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -131.9 | 119.4 | 178.1 | -60.7 | -63.1 | 0 | 0 | 0 | 108.8 | D474 | D474-N476 PolarHBondContact O-N 3.21Š|
| 477 | P | 51 | Low | 57.7 | Low | 112 Ų | 112 | 70.8 Ų | 70.8 | 73% | 0.727 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 155.7 | 172.7 | 29.7 | -34.8 | 0 | 0 | 0 | 111.1 | ||
| 478 | P | 52 | Low | 57.2 | Low | 23 Ų | 23 | 74.2 Ų | 74.2 | 15% | 0.149 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 136 | -179.5 | 17.3 | -29.6 | 0 | 0 | 0 | 113 | T480 F484 Y489 D677 | P478-T480 PolarHBondContact O-N 2.86Å; P478-F484 HydrophobicContact CB-CE1 3.66Å; P478-F484 HydrophobicContact CB-CE2 4.26Å; P478-F484 HydrophobicContact CB-CZ 3.36Å; P478-F484 HydrophobicContact CG-CE1 4.41Å; P478-F484 HydrophobicContact CG-CZ 4.05Å; P478-Y489 WeakPolarHBondContact CB-OH 3.27Å; P478-D677 WeakPolarHBondContact CG-O 3.41Å |
| 479 | P | 51 | Low | 57.4 | Low | 74 Ų | 74 | 74.4 Ų | 74.4 | 48% | 0.481 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 119.5 | 173 | 29.1 | -32.1 | 0 | 0 | 0 | 110.1 | S481 L487 | P479-S481 PolarHBondContact O-N 3.5Å; P479-L487 HydrophobicContact CG-CD1 3.43Å; P479-L487 VanDerWaalsContact CG-CD1 3.43Å |
| 480 | T | 46.4 | Very low | 57.4 | Low | 119 Ų | 119 | 75.3 Ų | 75.3 | 73% | 0.73 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -60.4 | 119.8 | -175.4 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | P478 | P478-T480 PolarHBondContact O-N 2.86Š|
| 481 | S | 45.5 | Very low | 57.7 | Low | 98 Ų | 98 | 76 Ų | 76 | 69% | 0.685 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 111.6 | -19.2 | 142.1 | 77.7 | 0 | 0 | 0 | 0 | 121.7 | P479 | P479-S481 PolarHBondContact O-N 3.5Š|
| 482 | Q | 45.5 | Very low | 58.2 | Low | 179 Ų | 179 | 73.1 Ų | 73.1 | 84% | 0.836 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -138.3 | -15.4 | -173.1 | -69.8 | -168.8 | -11.3 | 0 | 0 | 119.2 | ||
| 483 | L | 47.3 | Very low | 58.3 | Low | 121 Ų | 121 | 72.6 Ų | 72.6 | 63% | 0.634 | 41% | 0.413 | S | S | * | . | trans | -139.2 | 71 | -179.4 | -76.3 | 172.6 | 0 | 0 | 0 | 112.1 | ||||
| 484 | F | 47.6 | Very low | 58.5 | Low | 59 Ų | 59 | 72.7 Ų | 72.7 | 26% | 0.259 | 42% | 0.417 | S | S | . | . | trans | -86.3 | -22 | 170.7 | -97.2 | -88.1 | 0 | 0 | 0 | 113.1 | P478 S486 Y556 L678 | P478-F484 HydrophobicContact CB-CE1 3.66Å; P478-F484 HydrophobicContact CB-CE2 4.26Å; P478-F484 HydrophobicContact CB-CZ 3.36Å; P478-F484 HydrophobicContact CG-CE1 4.41Å; P478-F484 HydrophobicContact CG-CZ 4.05Å; F484-S486 PolarHBondContact O-N 2.86Å; F484-Y556 HydrophobicContact CB-CE1 3.76Å; F484-L678 WeakPolarHBondContact CZ-O 3.43Å | ||
| 485 | D | 50.2 | Low | 59.2 | Low | 44 Ų | 44 | 71.7 Ų | 71.7 | 24% | 0.235 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 17.5 | -178.2 | -77.4 | 33 | 0 | 0 | 0 | 114 | Y556 T746 R747 | D485-Y556 PolarHBondContact OD1-OH 3.37Å; D485-T746 WeakPolarHBondContact O-CG2 3.5Å; D485-T746 PolarHBondContact O-OG1 2.69Å; D485-R747 IonicContact OD1-NH2 3.09Å; D485-R747 IonicContact OD2-CZ 2.73Å; D485-R747 IonicContact OD2-NE 2.64Å; D485-R747 IonicContact OD2-NH2 3.99Å; D485-R747 PolarHBondContact OD2-NH2 3.4Å |
| 486 | S | 49.9 | Very low | 60.3 | Low | 43 Ų | 43 | 67.8 Ų | 67.8 | 30% | 0.301 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -153.1 | 19.3 | -174.2 | 63.1 | 0 | 0 | 0 | 0 | 115.6 | F484 | F484-S486 PolarHBondContact O-N 2.86Š|
| 487 | L | 48.6 | Very low | 61.4 | Low | 78 Ų | 78 | 63.1 Ų | 63.1 | 41% | 0.408 | 36% | 0.359 | S | S | . | . | trans | -122.9 | 88.9 | -177.1 | -84.7 | 165 | 0 | 0 | 0 | 112.2 | P479 Y489 | P479-L487 HydrophobicContact CG-CD1 3.43Å; P479-L487 VanDerWaalsContact CG-CD1 3.43Å; L487-Y489 VanDerWaalsContact O-CD2 3.29Å; L487-Y489 WeakPolarHBondContact O-CD2 3.44Å; L487-Y489 WeakPolarHBondContact O-CE2 3.05Å | ||
| 488 | D | 56.9 | Low | 62.9 | Low | 100 Ų | 100 | 57.8 Ų | 57.8 | 54% | 0.535 | 33% | 0.325 | S | S | . | . | trans | -65.4 | 133 | 170.2 | -73.2 | 21.8 | 0 | 0 | 0 | 111.3 | P490 F817 | D488-P490 VanDerWaalsContact O-CD 3.32Å; D488-P490 WeakPolarHBondContact O-CD 3.26Å; D488-F817 WeakPolarHBondContact OD2-CE1 3.38Å | ||
| 489 | Y | 68.9 | Low | 64.6 | Low | 42 Ų | 42 | 56.7 Ų | 56.7 | 17% | 0.165 | 32% | 0.318 | C | S | . | . | trans | -103.7 | 92 | 173.7 | -69.1 | -87.7 | 0 | 0 | 0 | 108.6 | D474 P478 L487 N491 R492 D493 | D474-Y489 HydrophobicContact CB-CD1 3.9Å; P478-Y489 WeakPolarHBondContact CB-OH 3.27Å; L487-Y489 VanDerWaalsContact O-CD2 3.29Å; L487-Y489 WeakPolarHBondContact O-CD2 3.44Å; L487-Y489 WeakPolarHBondContact O-CE2 3.05Å; Y489-N491 PolarHBondContact O-N 3.36Å; Y489-R492 PolarHBondContact O-N 3.29Å; Y489-D493 WeakPolarHBondContact O-CB 3.31Å; Y489-D493 PolarHBondContact O-N 3.32Å | ||
| 490 | P | 69.2 | Low | 66.2 | Low | 81 Ų | 81 | 53.6 Ų | 53.6 | 53% | 0.526 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.9 | -30.8 | -164.2 | 27.2 | -36 | 0 | 0 | 0 | 113.5 | D488 G494 | D488-P490 VanDerWaalsContact O-CD 3.32Å; D488-P490 WeakPolarHBondContact O-CD 3.26Å; P490-G494 PolarHBondContact O-N 2.94Å |
| 491 | N | 75.8 | Confident | 67.8 | Low | 28 Ų | 28 | 49.4 Ų | 49.4 | 15% | 0.15 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -77.6 | -41 | 177.2 | -62.9 | -75.8 | 0 | 0 | 0 | 110.6 | I407 F413 L473 D474 Y489 F495 | I407-N491 HydrophobicContact CG2-CB 4.08Å; I407-N491 VanDerWaalsContact CG2-OD1 3.29Å; I407-N491 WeakPolarHBondContact CG2-OD1 3.33Å; F413-N491 HydrophobicContact CD2-CB 4.39Å; F413-N491 HydrophobicContact CE2-CB 4.41Å; L473-N491 HydrophobicContact CB-CB 4.34Å; D474-N491 PolarHBondContact OD1-N 2.92Å; D474-N491 PolarHBondContact OD1-ND2 3.35Å; D474-N491 PolarHBondContact OD2-N 3.2Å; Y489-N491 PolarHBondContact O-N 3.36Å; N491-F495 WeakPolarHBondContact O-CB 3.33Å; N491-F495 PolarHBondContact O-N 2.92Å |
| 492 | R | 80.5 | Confident | 69.6 | Low | 15 Ų | 15 | 44.8 Ų | 44.8 | 6% | 0.057 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.9 | -51.4 | 170.3 | -177.9 | -170.3 | -172.6 | -93.5 | -3.5 | 112 | L470 W471 D474 Y489 F495 L496 L550 D557 S559 | L470-R492 HydrophobicContact CD1-CG 4.42Å; L470-R492 HydrophobicContact CD2-CG 4.33Å; L470-R492 HydrophobicContact CG-CG 4.17Å; W471-R492 VanDerWaalsContact CZ3-NE 3.25Å; D474-R492 PolarHBondContact OD2-N 2.93Å; Y489-R492 PolarHBondContact O-N 3.29Å; R492-F495 PolarHBondContact O-N 2.99Å; R492-L496 HydrophobicContact CG-CD1 3.82Å; R492-L496 WeakPolarHBondContact O-CB 3.48Å; R492-L496 VanDerWaalsContact O-CG 3.29Å; R492-L496 WeakPolarHBondContact O-CG 3.39Å; R492-L496 PolarHBondContact O-N 2.78Å; R492-L550 VanDerWaalsContact NH2-CD2 3.34Å; R492-D557 IonicContact CZ-OD1 2.68Å; R492-D557 IonicContact CZ-OD2 3.64Å; R492-D557 IonicContact NH1-OD1 2.72Å; R492-D557 PolarHBondContact NH1-OD1 3.47Å; R492-D557 IonicContact NH1-OD2 2.71Å; R492-D557 PolarHBondContact NH1-OD2 2.84Å; R492-D557 IonicContact NH2-OD1 3.17Å; R492-D557 PolarHBondContact NH2-OD1 3.27Å; R492-D557 IonicContact NH2-OD2 3.94Å; R492-D557 PolarHBondContact NH2-OD2 2.9Å; R492-S559 PolarHBondContact NH1-OG 2.86Å |
| 493 | D | 75.2 | Confident | 71.4 | Confident | 66 Ų | 66 | 36.2 Ų | 36.2 | 35% | 0.353 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69.2 | -40.6 | -176.5 | -173 | 69.5 | 0 | 0 | 0 | 112.2 | Y489 F495 L496 T497 R562 | Y489-D493 WeakPolarHBondContact O-CB 3.31Å; Y489-D493 PolarHBondContact O-N 3.32Å; D493-F495 PolarHBondContact O-N 2.92Å; D493-L496 PolarHBondContact O-N 3.36Å; D493-T497 VanDerWaalsContact O-CB 3.25Å; D493-T497 WeakPolarHBondContact O-CB 3.43Å; D493-T497 PolarHBondContact O-N 3.41Å; D493-T497 PolarHBondContact O-OG1 3.26Å; D493-R562 IonicContact OD1-CZ 3.92Å; D493-R562 IonicContact OD1-NH1 2.69Å; D493-R562 PolarHBondContact OD1-NH1 2.98Å; D493-R562 IonicContact OD1-NH2 3.77Å; D493-R562 IonicContact OD2-NH1 3.23Å |
| 494 | G | 76.2 | Confident | 72.9 | Confident | 14 Ų | 14 | 33.7 Ų | 33.7 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.1 | -41.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P490 L498 | P490-G494 PolarHBondContact O-N 2.94Å; G494-L498 WeakPolarHBondContact O-CB 3.46Å; G494-L498 PolarHBondContact O-N 3.5Å |
| 495 | F | 85.9 | Confident | 74.3 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.5 | -47.2 | 175.1 | 169.9 | -101 | 0 | 0 | 0 | 112.1 | F413 V461 L464 A465 L470 L473 N491 R492 D493 T497 L498 F499 L546 | F413-F495 HydrophobicContact CD1-CB 4.17Å; F413-F495 HydrophobicContact CD1-CD2 4.26Å; F413-F495 HydrophobicContact CD2-CB 4.15Å; F413-F495 HydrophobicContact CE1-CB 4.19Å; F413-F495 AromaticContact CE1-CD2 3.72Å; F413-F495 HydrophobicContact CE1-CD2 3.72Å; F413-F495 HydrophobicContact CE1-CG 4.43Å; F413-F495 HydrophobicContact CE2-CB 4.15Å; F413-F495 HydrophobicContact CG-CB 4.17Å; F413-F495 HydrophobicContact CZ-CB 4.17Å; F413-F495 HydrophobicContact CZ-CD2 4.03Å; V461-F495 HydrophobicContact CB-CE2 4.46Å; V461-F495 HydrophobicContact CG1-CD2 4.42Å; V461-F495 HydrophobicContact CG1-CE2 3.73Å; V461-F495 HydrophobicContact CG1-CZ 4.17Å; L464-F495 HydrophobicContact CD2-CD2 4.3Å; L464-F495 HydrophobicContact CD2-CE2 3.64Å; L464-F495 HydrophobicContact CD2-CZ 3.97Å; A465-F495 HydrophobicContact CB-CZ 4.14Å; L470-F495 HydrophobicContact CD1-CD1 3.76Å; L470-F495 HydrophobicContact CD1-CE1 3.72Å; L473-F495 HydrophobicContact CD1-CB 4.09Å; L473-F495 HydrophobicContact CD1-CD1 4.01Å; L473-F495 HydrophobicContact CD1-CG 3.97Å; N491-F495 WeakPolarHBondContact O-CB 3.33Å; N491-F495 PolarHBondContact O-N 2.92Å; R492-F495 PolarHBondContact O-N 2.99Å; D493-F495 PolarHBondContact O-N 2.92Å; F495-T497 PolarHBondContact O-N 3.46Å; F495-L498 WeakPolarHBondContact O-CB 3.3Å; F495-L498 PolarHBondContact O-N 2.7Å; F495-F499 HydrophobicContact CE1-CD2 4.43Å; F495-F499 HydrophobicContact CZ-CD2 4.12Å; F495-F499 WeakPolarHBondContact O-CB 3.47Å; F495-F499 PolarHBondContact O-N 3.32Å; F495-L546 HydrophobicContact CE1-CD1 3.77Å; F495-L546 HydrophobicContact CZ-CD1 4.15Å |
| 496 | L | 83.6 | Confident | 75.6 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.9 | -34.7 | -179.7 | -69.3 | 168.1 | 0 | 0 | 0 | 112.3 | L470 R492 D493 F499 S500 L550 | L470-L496 HydrophobicContact CD1-CD1 4.45Å; L470-L496 HydrophobicContact CD1-CD2 4.04Å; L470-L496 HydrophobicContact CD1-CG 4.29Å; L470-L496 HydrophobicContact CD2-CD1 4.46Å; R492-L496 HydrophobicContact CG-CD1 3.82Å; R492-L496 WeakPolarHBondContact O-CB 3.48Å; R492-L496 VanDerWaalsContact O-CG 3.29Å; R492-L496 WeakPolarHBondContact O-CG 3.39Å; R492-L496 PolarHBondContact O-N 2.78Å; D493-L496 PolarHBondContact O-N 3.36Å; L496-F499 WeakPolarHBondContact O-CB 3.42Å; L496-F499 PolarHBondContact O-N 2.84Å; L496-S500 PolarHBondContact O-N 2.85Å; L496-S500 PolarHBondContact O-OG 3.2Å; L496-L550 HydrophobicContact CD1-CD2 4.33Å; L496-L550 HydrophobicContact CD2-CD1 3.91Å; L496-L550 HydrophobicContact CD2-CD2 4.48Å |
| 497 | T | 81.3 | Confident | 76.8 | Confident | 23 Ų | 23 | 28.8 Ų | 28.8 | 14% | 0.141 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.3 | -35.9 | 173.3 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | D493 F495 S500 R501 R562 | D493-T497 VanDerWaalsContact O-CB 3.25Å; D493-T497 WeakPolarHBondContact O-CB 3.43Å; D493-T497 PolarHBondContact O-N 3.41Å; D493-T497 PolarHBondContact O-OG1 3.26Å; F495-T497 PolarHBondContact O-N 3.46Å; T497-S500 PolarHBondContact O-OG 3.14Å; T497-R501 WeakPolarHBondContact O-CB 3.11Å; T497-R501 VanDerWaalsContact O-CG 3.26Å; T497-R501 WeakPolarHBondContact O-CG 3.4Å; T497-R501 PolarHBondContact O-N 3.01Å; T497-R562 PolarHBondContact OG1-NH1 3.12Å |
| 498 | L | 84.2 | Confident | 77.7 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.4 | -40.3 | 170.7 | -176.2 | 65.1 | 0 | 0 | 0 | 111.7 | F413 L416 V417 L420 V457 V461 G494 F495 T502 | F413-L498 HydrophobicContact CD1-CD2 4.03Å; L416-L498 HydrophobicContact CB-CD1 3.74Å; L416-L498 HydrophobicContact CB-CD2 3.87Å; L416-L498 HydrophobicContact CB-CG 4.48Å; L416-L498 HydrophobicContact CD1-CD2 3.63Å; L416-L498 HydrophobicContact CG-CD2 4.39Å; V417-L498 HydrophobicContact CG2-CB 3.93Å; V417-L498 HydrophobicContact CG2-CD1 3.98Å; L420-L498 HydrophobicContact CD1-CD1 3.59Å; V457-L498 HydrophobicContact CG1-CD1 4.03Å; V457-L498 HydrophobicContact CG1-CD2 3.95Å; V457-L498 HydrophobicContact CG1-CG 4.09Å; V461-L498 HydrophobicContact CG2-CD2 3.86Å; V461-L498 HydrophobicContact CG2-CG 4.38Å; G494-L498 WeakPolarHBondContact O-CB 3.46Å; G494-L498 PolarHBondContact O-N 3.5Å; F495-L498 WeakPolarHBondContact O-CB 3.3Å; F495-L498 PolarHBondContact O-N 2.7Å; L498-T502 HydrophobicContact CD1-CG2 4.21Å; L498-T502 WeakPolarHBondContact O-CB 3.3Å; L498-T502 WeakPolarHBondContact O-CG2 3.42Å; L498-T502 PolarHBondContact O-N 3.02Å; L498-T502 PolarHBondContact O-OG1 3.18Å |
| 499 | F | 87.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62 | -51.1 | 177.7 | -162.7 | -71.1 | 0 | 0 | 0 | 110.9 | F458 V461 T462 A465 F495 L496 T502 L503 I543 L546 | F458-F499 HydrophobicContact CE2-CE1 4.27Å; F458-F499 HydrophobicContact CE2-CZ 4.33Å; V461-F499 HydrophobicContact CG1-CB 4.09Å; V461-F499 HydrophobicContact CG1-CD2 3.31Å; V461-F499 HydrophobicContact CG1-CE2 4Å; V461-F499 HydrophobicContact CG1-CG 4.01Å; T462-F499 HydrophobicContact CG2-CE2 4.04Å; T462-F499 HydrophobicContact CG2-CZ 4Å; A465-F499 HydrophobicContact CB-CE2 4.06Å; F495-F499 HydrophobicContact CE1-CD2 4.43Å; F495-F499 HydrophobicContact CZ-CD2 4.12Å; F495-F499 WeakPolarHBondContact O-CB 3.47Å; F495-F499 PolarHBondContact O-N 3.32Å; L496-F499 WeakPolarHBondContact O-CB 3.42Å; L496-F499 PolarHBondContact O-N 2.84Å; F499-T502 PolarHBondContact O-OG1 3Å; F499-L503 HydrophobicContact CD1-CB 4.48Å; F499-L503 HydrophobicContact CD1-CD2 4.37Å; F499-L503 HydrophobicContact CE1-CD2 4.11Å; F499-L503 WeakPolarHBondContact O-CB 3.15Å; F499-L503 PolarHBondContact O-N 2.99Å; F499-I543 HydrophobicContact CE1-CG1 4.13Å; F499-I543 HydrophobicContact CE1-CG2 3.93Å; F499-I543 HydrophobicContact CZ-CB 4.4Å; F499-I543 HydrophobicContact CZ-CG1 3.99Å; F499-I543 HydrophobicContact CZ-CG2 4.01Å; F499-L546 HydrophobicContact CD1-CD2 4.49Å; F499-L546 HydrophobicContact CD2-CD1 3.92Å; F499-L546 HydrophobicContact CE1-CD2 4.13Å; F499-L546 HydrophobicContact CE2-CD1 3.72Å; F499-L546 HydrophobicContact CE2-CD2 4.23Å; F499-L546 HydrophobicContact CE2-CG 4.5Å; F499-L546 HydrophobicContact CZ-CD1 4.29Å; F499-L546 HydrophobicContact CZ-CD2 4.01Å |
| 500 | S | 83.9 | Confident | 78.3 | Confident | 10 Ų | 10 | 20.7 Ų | 20.7 | 7% | 0.07 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.7 | -41.1 | -179.1 | 63.6 | 0 | 0 | 0 | 0 | 112.7 | L496 T497 Q504 S566 | L496-S500 PolarHBondContact O-N 2.85Å; L496-S500 PolarHBondContact O-OG 3.2Å; T497-S500 PolarHBondContact O-OG 3.14Å; S500-Q504 VanDerWaalsContact O-CB 3.31Å; S500-Q504 WeakPolarHBondContact O-CB 3.46Å; S500-Q504 PolarHBondContact O-N 3.18Å; S500-S566 VanDerWaalsContact O-CB 3.25Å; S500-S566 WeakPolarHBondContact O-CB 3.5Å |
| 501 | R | 79.6 | Confident | 78.2 | Confident | 31 Ų | 31 | 21.2 Ų | 21.2 | 12% | 0.117 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.1 | -51.3 | 175.9 | -74.2 | 176.1 | -176.4 | -156.3 | 1.2 | 112.4 | V417 D421 Q429 T497 L503 Q504 V505 | V417-R501 VanDerWaalsContact CG1-NH1 3.3Å; D421-R501 IonicContact OD1-CZ 2.74Å; D421-R501 IonicContact OD1-NH1 3.59Å; D421-R501 PolarHBondContact OD1-NH1 2.94Å; D421-R501 IonicContact OD2-CZ 3.21Å; D421-R501 IonicContact OD2-NH1 3.74Å; D421-R501 PolarHBondContact OD2-NH1 3.41Å; Q429-R501 VanDerWaalsContact OE1-NH2 3.09Å; T497-R501 WeakPolarHBondContact O-CB 3.11Å; T497-R501 VanDerWaalsContact O-CG 3.26Å; T497-R501 WeakPolarHBondContact O-CG 3.4Å; T497-R501 PolarHBondContact O-N 3.01Å; R501-L503 VanDerWaalsContact C-N 3.35Å; R501-L503 PolarHBondContact O-N 3.2Å; R501-Q504 PolarHBondContact O-N 2.7Å; R501-V505 PolarHBondContact O-N 2.93Å |
| 502 | T | 83.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.7 | -38.3 | 179.3 | 55.1 | 0 | 0 | 0 | 0 | 112.1 | L420 V457 L498 F499 V506 | L420-T502 HydrophobicContact CD1-CG2 3.78Å; V457-T502 HydrophobicContact CB-CG2 3.93Å; V457-T502 HydrophobicContact CG1-CG2 3.86Å; L498-T502 HydrophobicContact CD1-CG2 4.21Å; L498-T502 WeakPolarHBondContact O-CB 3.3Å; L498-T502 WeakPolarHBondContact O-CG2 3.42Å; L498-T502 PolarHBondContact O-N 3.02Å; L498-T502 PolarHBondContact O-OG1 3.18Å; F499-T502 PolarHBondContact O-OG1 3Å; T502-V506 WeakPolarHBondContact O-CB 3.45Å; T502-V506 VanDerWaalsContact O-CG2 3.29Å; T502-V506 WeakPolarHBondContact O-CG2 3.29Å; T502-V506 PolarHBondContact O-N 3.11Å |
| 503 | L | 84.3 | Confident | 76.9 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 172.4 | 179.8 | 59.2 | 0 | 0 | 0 | 112.2 | F458 F499 R501 V505 V506 V507 I539 I543 I563 L567 | F458-L503 HydrophobicContact CD2-CB 4.47Å; F458-L503 HydrophobicContact CE2-CB 4.02Å; F458-L503 HydrophobicContact CE2-CD1 3.78Å; F458-L503 HydrophobicContact CE2-CG 4.47Å; F458-L503 HydrophobicContact CZ-CD1 3.72Å; F499-L503 HydrophobicContact CD1-CB 4.48Å; F499-L503 HydrophobicContact CD1-CD2 4.37Å; F499-L503 HydrophobicContact CE1-CD2 4.11Å; F499-L503 WeakPolarHBondContact O-CB 3.15Å; F499-L503 PolarHBondContact O-N 2.99Å; R501-L503 VanDerWaalsContact C-N 3.35Å; R501-L503 PolarHBondContact O-N 3.2Å; L503-V505 PolarHBondContact O-N 3.38Å; L503-V506 PolarHBondContact O-N 2.67Å; L503-V507 HydrophobicContact CD1-CG2 3.46Å; L503-V507 VanDerWaalsContact CD1-CG2 3.46Å; L503-V507 HydrophobicContact CG-CG2 3.93Å; L503-V507 WeakPolarHBondContact O-CB 3.41Å; L503-V507 WeakPolarHBondContact O-CG2 3.33Å; L503-V507 PolarHBondContact O-N 3.39Å; L503-I539 HydrophobicContact CD1-CG2 4.19Å; L503-I543 HydrophobicContact CD1-CD1 3.41Å; L503-I543 VanDerWaalsContact CD1-CD1 3.41Å; L503-I543 HydrophobicContact CD2-CD1 3.89Å; L503-I543 HydrophobicContact CG-CD1 4.33Å; L503-I563 HydrophobicContact CD2-CG2 3.91Å; L503-L567 HydrophobicContact CD1-CD2 4.29Å; L503-L567 HydrophobicContact CD2-CD2 4.14Å; L503-L567 HydrophobicContact CD2-CG 4.12Å; L503-L567 HydrophobicContact CG-CD2 4.43Å |
| 504 | Q | 78.8 | Confident | 76.1 | Confident | 68 Ų | 68 | 24 Ų | 24 | 32% | 0.318 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -58.5 | -46.3 | 180 | -168.8 | 177 | 24.9 | 0 | 0 | 111.4 | S500 R501 T508 | S500-Q504 VanDerWaalsContact O-CB 3.31Å; S500-Q504 WeakPolarHBondContact O-CB 3.46Å; S500-Q504 PolarHBondContact O-N 3.18Å; R501-Q504 PolarHBondContact O-N 2.7Å; Q504-T508 WeakPolarHBondContact O-CB 3.18Å; Q504-T508 WeakPolarHBondContact O-CG2 3.45Å; Q504-T508 PolarHBondContact O-N 3.37Å; Q504-T508 PolarHBondContact O-OG1 3.04Å |
| 505 | V | 75.6 | Confident | 75.1 | Confident | 19 Ų | 19 | 25 Ų | 25 | 12% | 0.115 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.3 | -34.2 | 178.8 | 178.2 | 0 | 0 | 0 | 0 | 112.1 | A446 L451 H454 R501 L503 T508 N509 | A446-V505 HydrophobicContact CB-CG1 4.47Å; L451-V505 HydrophobicContact CD1-CG1 4.34Å; H454-V505 HydrophobicContact CB-CB 3.94Å; H454-V505 HydrophobicContact CB-CG1 3.77Å; R501-V505 PolarHBondContact O-N 2.93Å; L503-V505 PolarHBondContact O-N 3.38Å; V505-T508 WeakPolarHBondContact CA-OG1 3.36Å; V505-T508 PolarHBondContact O-OG1 3.27Å; V505-N509 PolarHBondContact O-N 2.97Å; V505-N509 PolarHBondContact O-ND2 3.23Å |
| 506 | V | 77.3 | Confident | 73.4 | Confident | 9 Ų | 9 | 29.3 Ų | 29.3 | 6% | 0.055 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -74.3 | -45.3 | 176.9 | 171 | 0 | 0 | 0 | 0 | 112.1 | F458 T502 L503 A510 P537 I539 | F458-V506 HydrophobicContact CB-CG2 4.17Å; F458-V506 HydrophobicContact CD1-CB 4.38Å; F458-V506 HydrophobicContact CD1-CG1 4.12Å; F458-V506 HydrophobicContact CD1-CG2 4.1Å; F458-V506 HydrophobicContact CE1-CG1 4.2Å; F458-V506 HydrophobicContact CG-CG2 4.24Å; T502-V506 WeakPolarHBondContact O-CB 3.45Å; T502-V506 VanDerWaalsContact O-CG2 3.29Å; T502-V506 WeakPolarHBondContact O-CG2 3.29Å; T502-V506 PolarHBondContact O-N 3.11Å; L503-V506 PolarHBondContact O-N 2.67Å; V506-A510 WeakPolarHBondContact O-CB 3.44Å; V506-A510 PolarHBondContact O-N 3.04Å; V506-P537 HydrophobicContact CG1-CB 4.46Å; V506-I539 HydrophobicContact CG1-CD1 4.41Å |
| 507 | V | 74.8 | Confident | 71.5 | Confident | 14 Ų | 14 | 36.5 Ų | 36.5 | 9% | 0.085 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -46.3 | 179.4 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | L503 N509 A510 I539 L567 V569 L583 | L503-V507 HydrophobicContact CD1-CG2 3.46Å; L503-V507 VanDerWaalsContact CD1-CG2 3.46Å; L503-V507 HydrophobicContact CG-CG2 3.93Å; L503-V507 WeakPolarHBondContact O-CB 3.41Å; L503-V507 WeakPolarHBondContact O-CG2 3.33Å; L503-V507 PolarHBondContact O-N 3.39Å; V507-N509 PolarHBondContact O-N 3.04Å; V507-A510 WeakPolarHBondContact O-CB 3.45Å; V507-A510 PolarHBondContact O-N 2.99Å; V507-I539 HydrophobicContact CG2-CD1 3.98Å; V507-I539 HydrophobicContact CG2-CG2 4.38Å; V507-L567 HydrophobicContact CG2-CD2 3.93Å; V507-V569 HydrophobicContact CB-CG2 4.37Å; V507-V569 HydrophobicContact CG1-CB 4.37Å; V507-V569 HydrophobicContact CG1-CG2 3.76Å; V507-L583 HydrophobicContact CG1-CD1 3.84Å |
| 508 | T | 69.3 | Low | 69.6 | Low | 15 Ų | 15 | 40.7 Ų | 40.7 | 9% | 0.092 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.7 | -47.2 | -179.8 | 45.2 | 0 | 0 | 0 | 0 | 112.4 | F444 Q504 V505 H511 V569 | F444-T508 HydrophobicContact CE1-CG2 3.53Å; F444-T508 HydrophobicContact CZ-CG2 3.87Å; Q504-T508 WeakPolarHBondContact O-CB 3.18Å; Q504-T508 WeakPolarHBondContact O-CG2 3.45Å; Q504-T508 PolarHBondContact O-N 3.37Å; Q504-T508 PolarHBondContact O-OG1 3.04Å; V505-T508 WeakPolarHBondContact CA-OG1 3.36Å; V505-T508 PolarHBondContact O-OG1 3.27Å; T508-H511 PolarHBondContact O-CE1 3.16Å; T508-H511 VanDerWaalsContact O-CE1 3.27Å; T508-H511 PolarHBondContact O-ND1 3.33Å; T508-V569 HydrophobicContact CG2-CB 4.31Å; T508-V569 HydrophobicContact CG2-CG1 3.69Å; T508-V569 HydrophobicContact CG2-CG2 3.58Å |
| 509 | N | 68.9 | Low | 67.3 | Low | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.032 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -88.2 | -5.2 | -175.8 | -66.6 | -79.5 | 0 | 0 | 0 | 114.2 | L451 V505 V507 H511 L512 | L451-N509 HydrophobicContact CD1-CB 3.57Å; L451-N509 HydrophobicContact CD2-CB 3.7Å; L451-N509 HydrophobicContact CG-CB 4.27Å; V505-N509 PolarHBondContact O-N 2.97Å; V505-N509 PolarHBondContact O-ND2 3.23Å; V507-N509 PolarHBondContact O-N 3.04Å; N509-H511 PolarHBondContact O-N 2.97Å; N509-L512 PolarHBondContact O-N 2.66Å |
| 510 | A | 69.3 | Low | 64.6 | Low | 30 Ų | 30 | 53.9 Ų | 53.9 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -56 | -26 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V506 V507 L512 P537 I539 | V506-A510 WeakPolarHBondContact O-CB 3.44Å; V506-A510 PolarHBondContact O-N 3.04Å; V507-A510 WeakPolarHBondContact O-CB 3.45Å; V507-A510 PolarHBondContact O-N 2.99Å; A510-L512 VanDerWaalsContact C-N 3.31Å; A510-L512 PolarHBondContact O-N 3.5Å; A510-P537 HydrophobicContact CB-CG 3.84Å; A510-I539 HydrophobicContact CB-CD1 4.41Å |
| 511 | H | 65.6 | Low | 62.2 | Low | 92 Ų | 92 | 60.7 Ų | 60.7 | 43% | 0.426 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -78.6 | -8.3 | 178.6 | 77.9 | -85.3 | 0 | 0 | 0 | 114.8 | T508 N509 | T508-H511 PolarHBondContact O-CE1 3.16Å; T508-H511 VanDerWaalsContact O-CE1 3.27Å; T508-H511 PolarHBondContact O-ND1 3.33Å; N509-H511 PolarHBondContact O-N 2.97Å |
| 512 | L | 62.7 | Low | 60 | Low | 19 Ų | 19 | 64 Ų | 64 | 10% | 0.099 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -103 | -2.6 | -179.6 | -59.5 | 170.3 | 0 | 0 | 0 | 112.8 | H129 D130 N509 A510 R514 Y1143 | H129-L512 WeakPolarHBondContact CA-O 3.49Å; H129-L512 WeakPolarHBondContact NE2-CB 3.49Å; D130-L512 PolarHBondContact N-O 3.33Å; N509-L512 PolarHBondContact O-N 2.66Å; A510-L512 VanDerWaalsContact C-N 3.31Å; A510-L512 PolarHBondContact O-N 3.5Å; L512-R514 PolarHBondContact O-N 2.81Å; L512-Y1143 HydrophobicContact CD2-CD2 3.96Å; L512-Y1143 HydrophobicContact CD2-CE2 4.23Å |
| 513 | V | 66.7 | Low | 57.6 | Low | 24 Ų | 24 | 70.8 Ų | 70.8 | 15% | 0.145 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -88.9 | 101 | -175 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | W128 L222 C515 | W128-V513 CarbonylContact O-C 3.52Å; W128-V513 WeakPolarHBondContact O-CA 3.45Å; L222-V513 HydrophobicContact CD1-CG1 3.71Å; L222-V513 HydrophobicContact CD2-CG1 3.95Å; L222-V513 HydrophobicContact CG-CG1 4.4Å; V513-C515 PolarHBondContact O-N 3.46Å |
| 514 | R | 58.9 | Low | 55.1 | Low | 124 Ų | 124 | 77.2 Ų | 77.2 | 47% | 0.468 | 43% | 0.43 | S | S | . | . | trans | -72.1 | 85.5 | -175.1 | -164.5 | 173.3 | -156 | -173.3 | 0 | 111.8 | W128 D130 S133 L512 P516 | W128-R514 PolarHBondContact O-N 3.18Å; D130-R514 WeakPolarHBondContact OD1-CB 3.32Å; D130-R514 WeakPolarHBondContact OD1-CD 3.39Å; D130-R514 WeakPolarHBondContact OD1-CG 3.47Å; D130-R514 IonicContact OD1-CZ 3.05Å; D130-R514 IonicContact OD1-NE 3.64Å; D130-R514 PolarHBondContact OD1-NE 2.96Å; S133-R514 PolarHBondContact OG-NH1 3.37Å; L512-R514 PolarHBondContact O-N 2.81Å; R514-P516 WeakPolarHBondContact O-CD 3.29Å | ||
| 515 | C | 54.8 | Low | 53 | Low | 34 Ų | 34 | 79 Ų | 79 | 23% | 0.23 | 45% | 0.45 | C | S | . | . | trans | -66.1 | 124.6 | 171.9 | -63.7 | 0 | 0 | 0 | 0 | 110.2 | V513 M517 S535 | V513-C515 PolarHBondContact O-N 3.46Å; C515-M517 VanDerWaalsContact C-N 3.33Å; C515-M517 PolarHBondContact O-N 3.4Å; C515-S535 WeakPolarHBondContact CB-OG 3.41Å; C515-S535 VanDerWaalsContact SG-C 3.56Å; C515-S535 PolarHBondContact SG-O 2.98Å; C515-S535 VanDerWaalsContact SG-O 3.35Å; C515-S535 PolarHBondContact SG-OG 2.92Å; C515-S535 VanDerWaalsContact SG-OG 3.4Å | ||
| 516 | P | 49.8 | Very low | 51.2 | Low | 94 Ų | 94 | 86.4 Ų | 86.4 | 61% | 0.61 | 49% | 0.489 | S | S | * | . | trans | -75 | 85.4 | 179.5 | 30.5 | -34.5 | 0 | 0 | 0 | 110.8 | R514 S518 | R514-P516 WeakPolarHBondContact O-CD 3.29Å; P516-S518 PolarHBondContact O-N 3.4Å | ||
| 517 | M | 44.1 | Very low | 49.3 | Very low | 155 Ų | 155 | 93.7 Ų | 93.7 | 76% | 0.764 | 53% | 0.527 | S | S | * | . | trans | -48 | 114.6 | 160.1 | -84.5 | -74 | -175.1 | 0 | 0 | 108.6 | C515 K519 | C515-M517 VanDerWaalsContact C-N 3.33Å; C515-M517 PolarHBondContact O-N 3.4Å; M517-K519 PolarHBondContact O-N 3.03Å; M517-K519 VanDerWaalsContact O-N 3.14Å | ||
| 518 | S | 41.9 | Very low | 47.3 | Very low | 110 Ų | 110 | 98.1 Ų | 98.1 | 77% | 0.769 | 55% | 0.554 | S | S | * | * | trans | -60.9 | 119.7 | 179.3 | 53.7 | 0 | 0 | 0 | 0 | 109 | P516 G520 | P516-S518 PolarHBondContact O-N 3.4Å; S518-G520 PolarHBondContact O-N 3.39Å | ||
| 519 | K | 36.7 | Very low | 45.7 | Very low | 220 Ų | 220 | 102.2 Ų | 102.2 | 96% | 0.957 | 58% | 0.581 | S | S | * | * | trans | -70 | 66.5 | 174.7 | -77.3 | -174.9 | 172.1 | -179.8 | 0 | 111.1 | M517 | M517-K519 PolarHBondContact O-N 3.03Å; M517-K519 VanDerWaalsContact O-N 3.14Å | ||
| 520 | G | 30.8 | Very low | 44 | Very low | 57 Ų | 57 | 109.4 Ų | 109.4 | 59% | 0.588 | 62% | 0.62 | S | S | * | * | trans | -103.3 | 78.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S518 | S518-G520 PolarHBondContact O-N 3.39Š| ||
| 521 | I | 32.3 | Very low | 42.4 | Very low | 153 Ų | 153 | 116.6 Ų | 116.6 | 79% | 0.785 | 65% | 0.646 | S | S | * | * | trans | 66.8 | 120.9 | 160.7 | -55.6 | 164.7 | 0 | 0 | 0 | 115.6 | ||||
| 522 | P | 34.8 | Very low | 41.1 | Very low | 102 Ų | 102 | 116.2 Ų | 116.2 | 66% | 0.662 | 65% | 0.652 | S | S | * | * | trans | -74.9 | 153.7 | 163.1 | 33.4 | -33.6 | 0 | 0 | 0 | 111.5 | ||||
| 523 | D | 32 | Very low | 40.1 | Very low | 141 Ų | 141 | 121.2 Ų | 121.2 | 75% | 0.754 | 68% | 0.682 | S | S | * | * | trans | 81.5 | 137.7 | 163.4 | -47.5 | -37.3 | 0 | 0 | 0 | 119.8 | ||||
| 524 | T | 32 | Very low | 39 | Very low | 136 Ų | 136 | 123.9 Ų | 123.9 | 83% | 0.834 | 70% | 0.696 | S | S | * | * | trans | 79.9 | 76.3 | 161.2 | 65.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 525 | S | 35.6 | Very low | 38.3 | Very low | 104 Ų | 104 | 120.8 Ų | 120.8 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | 176.2 | 131.3 | 118.6 | 44.1 | 0 | 0 | 0 | 0 | 113.3 | D527 | S525-D527 PolarHBondContact O-N 3.13Š| |||
| 526 | D | 36.9 | Very low | 38.2 | Very low | 175 Ų | 175 | 120.8 Ų | 120.8 | 94% | 0.936 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -89.3 | 12.4 | -170.3 | -59.9 | -56.3 | 0 | 0 | 0 | 115.7 | ||
| 527 | D | 37.7 | Very low | 38.5 | Very low | 162 Ų | 162 | 118.2 Ų | 118.2 | 87% | 0.866 | 68% | 0.682 | S | S | * | * | trans | -124.8 | 30.8 | -162.2 | -111.1 | -34.3 | 0 | 0 | 0 | 114.5 | S525 | S525-D527 PolarHBondContact O-N 3.13Š| ||
| 528 | V | 32.5 | Very low | 39.5 | Very low | 107 Ų | 107 | 115.1 Ų | 115.1 | 65% | 0.648 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -120.1 | 131.8 | 168 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | D530 | V528-D530 PolarHBondContact O-N 3.4Å; V528-D530 VanDerWaalsContact O-N 3.12Å |
| 529 | P | 36.2 | Very low | 41 | Very low | 101 Ų | 101 | 110.6 Ų | 110.6 | 66% | 0.656 | 63% | 0.629 | S | S | * | * | trans | -67.3 | 114.3 | 172.8 | 27.8 | -32.9 | 0 | 0 | 0 | 109.2 | F531 | P529-F531 PolarHBondContact O-N 2.88Š| ||
| 530 | D | 32.6 | Very low | 42.5 | Very low | 157 Ų | 157 | 102.5 Ų | 102.5 | 84% | 0.84 | 61% | 0.608 | S | S | * | * | trans | -57.5 | 100 | 168.9 | -78.6 | -40.8 | 0 | 0 | 0 | 109.3 | V528 P532 | V528-D530 PolarHBondContact O-N 3.4Å; V528-D530 VanDerWaalsContact O-N 3.12Å; D530-P532 WeakPolarHBondContact O-CD 3.16Å | ||
| 531 | F | 35.3 | Very low | 44.4 | Very low | 181 Ų | 181 | 103.7 Ų | 103.7 | 79% | 0.794 | 61% | 0.606 | S | S | * | * | trans | -73 | 107 | 152 | -79.2 | -88.7 | 0 | 0 | 0 | 105.8 | P529 V533 | P529-F531 PolarHBondContact O-N 2.88Å; F531-V533 PolarHBondContact O-N 3.22Å; F531-V533 VanDerWaalsContact O-N 3.07Å | ||
| 532 | P | 38.5 | Very low | 46.5 | Very low | 85 Ų | 85 | 97 Ų | 97 | 55% | 0.552 | 57% | 0.572 | S | S | * | * | trans | -60.4 | 121.7 | 174.3 | 27.4 | -33.7 | 0 | 0 | 0 | 107.2 | D530 D534 | D530-P532 WeakPolarHBondContact O-CD 3.16Å; P532-D534 PolarHBondContact O-N 3.18Å | ||
| 533 | V | 41.2 | Very low | 48.7 | Very low | 123 Ų | 123 | 92.4 Ų | 92.4 | 75% | 0.745 | 54% | 0.541 | S | S | * | . | trans | -75.9 | 73.1 | 170.5 | -175.9 | 0 | 0 | 0 | 0 | 106.4 | F531 S535 | F531-V533 PolarHBondContact O-N 3.22Å; F531-V533 VanDerWaalsContact O-N 3.07Å; V533-S535 VanDerWaalsContact C-N 3.33Å; V533-S535 PolarHBondContact O-N 2.92Å | ||
| 534 | D | 44.4 | Very low | 50.8 | Low | 81 Ų | 81 | 91.7 Ų | 91.7 | 43% | 0.433 | 53% | 0.532 | S | S | . | . | trans | -62.5 | 93.8 | -175.3 | -83.3 | -35.1 | 0 | 0 | 0 | 109.3 | P532 R538 | P532-D534 PolarHBondContact O-N 3.18Å; D534-R538 PolarHBondContact O-NE 2.76Å; D534-R538 PolarHBondContact O-NH2 3.35Å | ||
| 535 | S | 44.8 | Very low | 52.8 | Low | 58 Ų | 58 | 87.3 Ų | 87.3 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | trans | -91.8 | -9.1 | -177.2 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | C515 V533 | C515-S535 WeakPolarHBondContact CB-OG 3.41Å; C515-S535 VanDerWaalsContact SG-C 3.56Å; C515-S535 PolarHBondContact SG-O 2.98Å; C515-S535 VanDerWaalsContact SG-O 3.35Å; C515-S535 PolarHBondContact SG-OG 2.92Å; C515-S535 VanDerWaalsContact SG-OG 3.4Å; V533-S535 VanDerWaalsContact C-N 3.33Å; V533-S535 PolarHBondContact O-N 2.92Å | ||
| 536 | G | 52 | Low | 55.1 | Low | 34 Ų | 34 | 82.9 Ų | 82.9 | 35% | 0.351 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -62.6 | 169.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R538 | G536-R538 PolarHBondContact O-N 3.13Š|
| 537 | P | 56 | Low | 57.1 | Low | 40 Ų | 40 | 75.7 Ų | 75.7 | 26% | 0.26 | 44% | 0.442 | S | S | . | . | trans | -65.9 | 14.6 | -164.4 | 21.9 | -33.3 | 0 | 0 | 0 | 118.4 | V506 A510 I539 | V506-P537 HydrophobicContact CG1-CB 4.46Å; A510-P537 HydrophobicContact CB-CG 3.84Å; P537-I539 HydrophobicContact CB-CD1 4.44Å; P537-I539 HydrophobicContact CB-CG1 4.13Å; P537-I539 HydrophobicContact CG-CD1 3.79Å; P537-I539 HydrophobicContact CG-CG1 3.98Å; P537-I539 PolarHBondContact O-N 3.21Å | ||
| 538 | R | 66.4 | Low | 59.1 | Low | 90 Ų | 90 | 71.6 Ų | 71.6 | 34% | 0.34 | 42% | 0.418 | S | S | . | . | trans | 48.9 | 34.7 | 173 | -69.2 | 171.6 | -173.8 | 177.9 | -1 | 114.8 | D534 G536 G540 C541 R542 | D534-R538 PolarHBondContact O-NE 2.76Å; D534-R538 PolarHBondContact O-NH2 3.35Å; G536-R538 PolarHBondContact O-N 3.13Å; R538-G540 VanDerWaalsContact C-N 3.32Å; R538-G540 PolarHBondContact O-N 3.48Å; R538-C541 PolarHBondContact O-N 2.89Å; R538-R542 PolarHBondContact O-N 3.26Å | ||
| 539 | I | 72.6 | Confident | 61.3 | Low | 16 Ų | 16 | 68.3 Ų | 68.3 | 8% | 0.082 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -48.8 | -48.2 | -174.7 | -69.9 | 172.6 | 0 | 0 | 0 | 111.8 | L503 V506 V507 A510 P537 C541 R542 I543 L567 L583 | L503-I539 HydrophobicContact CD1-CG2 4.19Å; V506-I539 HydrophobicContact CG1-CD1 4.41Å; V507-I539 HydrophobicContact CG2-CD1 3.98Å; V507-I539 HydrophobicContact CG2-CG2 4.38Å; A510-I539 HydrophobicContact CB-CD1 4.41Å; P537-I539 HydrophobicContact CB-CD1 4.44Å; P537-I539 HydrophobicContact CB-CG1 4.13Å; P537-I539 HydrophobicContact CG-CD1 3.79Å; P537-I539 HydrophobicContact CG-CG1 3.98Å; P537-I539 PolarHBondContact O-N 3.21Å; I539-C541 PolarHBondContact O-N 2.81Å; I539-R542 PolarHBondContact O-N 3.47Å; I539-I543 HydrophobicContact CG2-CD1 3.48Å; I539-I543 VanDerWaalsContact CG2-CD1 3.48Å; I539-I543 VanDerWaalsContact O-CD1 3.3Å; I539-I543 WeakPolarHBondContact O-CD1 3.49Å; I539-I543 VanDerWaalsContact O-CG1 3.22Å; I539-I543 WeakPolarHBondContact O-CG1 3.33Å; I539-I543 PolarHBondContact O-N 3.4Å; I539-L567 HydrophobicContact CG2-CD2 4.21Å; I539-L583 HydrophobicContact CD1-CD1 4.5Å |
| 540 | G | 68.7 | Low | 63.4 | Low | 50 Ų | 50 | 63.5 Ų | 63.5 | 52% | 0.515 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.3 | -50.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R538 R542 I543 F544 | R538-G540 VanDerWaalsContact C-N 3.32Å; R538-G540 PolarHBondContact O-N 3.48Å; G540-R542 PolarHBondContact O-N 2.89Å; G540-I543 PolarHBondContact O-N 3.44Å; G540-F544 WeakPolarHBondContact O-CB 3.4Å; G540-F544 PolarHBondContact O-N 2.96Å |
| 541 | C | 69.8 | Low | 65.7 | Low | 81 Ų | 81 | 56.3 Ų | 56.3 | 55% | 0.547 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.5 | -30.2 | -178.3 | -54.3 | 0 | 0 | 0 | 0 | 113.2 | R538 I539 | R538-C541 PolarHBondContact O-N 2.89Å; I539-C541 PolarHBondContact O-N 2.81Å |
| 542 | R | 77 | Confident | 67.9 | Low | 14 Ų | 14 | 50.2 Ų | 50.2 | 5% | 0.053 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -86 | -15.3 | -175.8 | -68.4 | 173.9 | 56.6 | 169.9 | -3.3 | 114.1 | F282 F458 D459 T462 R538 I539 G540 | F282-R542 HydrophobicContact CD1-CG 4.39Å; F282-R542 HydrophobicContact CD2-CG 4.18Å; F282-R542 HydrophobicContact CE1-CB 4.34Å; F282-R542 HydrophobicContact CE1-CG 4.15Å; F282-R542 HydrophobicContact CE2-CG 3.92Å; F282-R542 HydrophobicContact CG-CG 4.41Å; F282-R542 HydrophobicContact CZ-CB 4.44Å; F282-R542 HydrophobicContact CZ-CG 3.92Å; F458-R542 VanDerWaalsContact C-NH2 3.32Å; F458-R542 PolarHBondContact O-NH2 2.83Å; D459-R542 IonicContact OD1-CZ 3.46Å; D459-R542 VanDerWaalsContact OD1-CZ 3.23Å; D459-R542 IonicContact OD1-NH1 2.74Å; D459-R542 PolarHBondContact OD1-NH1 3.46Å; D459-R542 IonicContact OD1-NH2 3.71Å; D459-R542 PolarHBondContact OD1-NH2 3.38Å; T462-R542 HydrophobicContact CG2-CB 4.07Å; T462-R542 PolarHBondContact OG1-NE 3.01Å; T462-R542 VanDerWaalsContact OG1-NE 3.17Å; T462-R542 PolarHBondContact OG1-NH2 2.76Å; R538-R542 PolarHBondContact O-N 3.26Å; I539-R542 PolarHBondContact O-N 3.47Å; G540-R542 PolarHBondContact O-N 2.89Å |
| 543 | I | 81.1 | Confident | 69.8 | Low | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -114.9 | -25.1 | -174.8 | -53.3 | 163.7 | 0 | 0 | 0 | 111.7 | F458 F499 L503 I539 G540 G545 L546 I547 I563 | F458-I543 HydrophobicContact CZ-CD1 4.11Å; F458-I543 HydrophobicContact CZ-CG1 4.13Å; F499-I543 HydrophobicContact CE1-CG1 4.13Å; F499-I543 HydrophobicContact CE1-CG2 3.93Å; F499-I543 HydrophobicContact CZ-CB 4.4Å; F499-I543 HydrophobicContact CZ-CG1 3.99Å; F499-I543 HydrophobicContact CZ-CG2 4.01Å; L503-I543 HydrophobicContact CD1-CD1 3.41Å; L503-I543 VanDerWaalsContact CD1-CD1 3.41Å; L503-I543 HydrophobicContact CD2-CD1 3.89Å; L503-I543 HydrophobicContact CG-CD1 4.33Å; I539-I543 HydrophobicContact CG2-CD1 3.48Å; I539-I543 VanDerWaalsContact CG2-CD1 3.48Å; I539-I543 VanDerWaalsContact O-CD1 3.3Å; I539-I543 WeakPolarHBondContact O-CD1 3.49Å; I539-I543 VanDerWaalsContact O-CG1 3.22Å; I539-I543 WeakPolarHBondContact O-CG1 3.33Å; I539-I543 PolarHBondContact O-N 3.4Å; G540-I543 PolarHBondContact O-N 3.44Å; I543-G545 PolarHBondContact O-N 3.48Å; I543-L546 PolarHBondContact O-N 3.03Å; I543-I547 HydrophobicContact CB-CD1 4.45Å; I543-I547 HydrophobicContact CG2-CD1 3.53Å; I543-I547 HydrophobicContact CG2-CG1 3.75Å; I543-I547 PolarHBondContact O-N 3.44Å; I543-I563 HydrophobicContact CG2-CG2 4.39Å |
| 544 | F | 75.4 | Confident | 71.6 | Confident | 127 Ų | 127 | 40.6 Ų | 40.6 | 56% | 0.557 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -43.9 | -55.7 | -171.6 | 179.6 | -93 | 0 | 0 | 0 | 114.4 | G540 L546 I547 E548 | G540-F544 WeakPolarHBondContact O-CB 3.4Å; G540-F544 PolarHBondContact O-N 2.96Å; F544-L546 VanDerWaalsContact C-N 3.27Å; F544-L546 PolarHBondContact O-N 3.33Å; F544-I547 PolarHBondContact O-N 3.12Å; F544-E548 WeakPolarHBondContact CE1-OE2 3.41Å; F544-E548 WeakPolarHBondContact O-CB 3.47Å; F544-E548 PolarHBondContact O-N 3.32Å |
| 545 | G | 75.2 | Confident | 73.1 | Confident | 43 Ų | 43 | 37.3 Ų | 37.3 | 44% | 0.443 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.7 | -25.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | I543 S549 | I543-G545 PolarHBondContact O-N 3.48Å; G545-S549 WeakPolarHBondContact O-CB 3.04Å; G545-S549 PolarHBondContact O-N 3.26Å |
| 546 | L | 82.4 | Confident | 74.5 | Confident | 11 Ų | 11 | 38 Ų | 38 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -80.8 | -35.3 | 174.7 | 178.2 | 143.2 | 0 | 0 | 0 | 111.7 | A465 F495 F499 I543 F544 L550 I563 | A465-L546 HydrophobicContact CB-CB 4.28Å; A465-L546 HydrophobicContact CB-CD1 3.59Å; F495-L546 HydrophobicContact CE1-CD1 3.77Å; F495-L546 HydrophobicContact CZ-CD1 4.15Å; F499-L546 HydrophobicContact CD1-CD2 4.49Å; F499-L546 HydrophobicContact CD2-CD1 3.92Å; F499-L546 HydrophobicContact CE1-CD2 4.13Å; F499-L546 HydrophobicContact CE2-CD1 3.72Å; F499-L546 HydrophobicContact CE2-CD2 4.23Å; F499-L546 HydrophobicContact CE2-CG 4.5Å; F499-L546 HydrophobicContact CZ-CD1 4.29Å; F499-L546 HydrophobicContact CZ-CD2 4.01Å; I543-L546 PolarHBondContact O-N 3.03Å; F544-L546 VanDerWaalsContact C-N 3.27Å; F544-L546 PolarHBondContact O-N 3.33Å; L546-L550 HydrophobicContact CD2-CD1 3.67Å; L546-L550 HydrophobicContact CG-CD1 4.14Å; L546-L550 WeakPolarHBondContact O-CB 3.24Å; L546-L550 WeakPolarHBondContact O-CD1 3.41Å; L546-L550 VanDerWaalsContact O-CG 3.23Å; L546-L550 WeakPolarHBondContact O-CG 3.47Å; L546-L550 PolarHBondContact O-N 3.1Å; L546-L550 VanDerWaalsContact O-N 3.15Å; L546-I563 HydrophobicContact CD2-CD1 3.35Å |
| 547 | I | 80.2 | Confident | 75.7 | Confident | 24 Ų | 24 | 37.7 Ų | 37.7 | 12% | 0.123 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -45.5 | 168.7 | -82.1 | 168.6 | 0 | 0 | 0 | 110.4 | I543 F544 L550 I551 I563 L567 | I543-I547 HydrophobicContact CB-CD1 4.45Å; I543-I547 HydrophobicContact CG2-CD1 3.53Å; I543-I547 HydrophobicContact CG2-CG1 3.75Å; I543-I547 PolarHBondContact O-N 3.44Å; F544-I547 PolarHBondContact O-N 3.12Å; I547-L550 PolarHBondContact O-N 2.89Å; I547-I551 HydrophobicContact CG2-CD1 3.49Å; I547-I551 VanDerWaalsContact CG2-CD1 3.49Å; I547-I551 HydrophobicContact CG2-CG1 4.22Å; I547-I551 WeakPolarHBondContact O-CB 3.49Å; I547-I551 VanDerWaalsContact O-CG1 3.29Å; I547-I551 WeakPolarHBondContact O-CG1 3.36Å; I547-I551 PolarHBondContact O-N 2.9Å; I547-I563 HydrophobicContact CD1-CG2 4.03Å; I547-I563 HydrophobicContact CG1-CG2 4.06Å; I547-L567 HydrophobicContact CD1-CD1 4.32Å |
| 548 | E | 79.1 | Confident | 76.9 | Confident | 76 Ų | 76 | 36 Ų | 36 | 36% | 0.355 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -56.8 | -55.1 | 176.2 | -170.6 | 167.3 | -136 | 0 | 0 | 110.6 | F544 L550 I551 E552 | F544-E548 WeakPolarHBondContact CE1-OE2 3.41Å; F544-E548 WeakPolarHBondContact O-CB 3.47Å; F544-E548 PolarHBondContact O-N 3.32Å; E548-L550 PolarHBondContact O-N 2.69Å; E548-L550 VanDerWaalsContact O-N 3.1Å; E548-I551 PolarHBondContact O-N 3.12Å; E548-E552 WeakPolarHBondContact O-CG 3.38Å; E548-E552 PolarHBondContact O-N 2.93Å; E548-E552 VanDerWaalsContact O-N 3.09Å |
| 549 | S | 78.9 | Confident | 77.5 | Confident | 39 Ų | 39 | 32.1 Ų | 32.1 | 27% | 0.273 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.7 | -24.3 | 178.1 | 179.6 | 0 | 0 | 0 | 0 | 115 | G545 | G545-S549 WeakPolarHBondContact O-CB 3.04Å; G545-S549 PolarHBondContact O-N 3.26Å |
| 550 | L | 80.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -90.8 | -39.9 | 178.3 | -71.7 | 169.3 | 0 | 0 | 0 | 111.9 | L470 R492 L496 L546 I547 E548 E552 S553 F554 V560 I563 | L470-L550 HydrophobicContact CD2-CD2 3.5Å; L470-L550 HydrophobicContact CD2-CG 4.35Å; R492-L550 VanDerWaalsContact NH2-CD2 3.34Å; L496-L550 HydrophobicContact CD1-CD2 4.33Å; L496-L550 HydrophobicContact CD2-CD1 3.91Å; L496-L550 HydrophobicContact CD2-CD2 4.48Å; L546-L550 HydrophobicContact CD2-CD1 3.67Å; L546-L550 HydrophobicContact CG-CD1 4.14Å; L546-L550 WeakPolarHBondContact O-CB 3.24Å; L546-L550 WeakPolarHBondContact O-CD1 3.41Å; L546-L550 VanDerWaalsContact O-CG 3.23Å; L546-L550 WeakPolarHBondContact O-CG 3.47Å; L546-L550 PolarHBondContact O-N 3.1Å; L546-L550 VanDerWaalsContact O-N 3.15Å; I547-L550 PolarHBondContact O-N 2.89Å; E548-L550 PolarHBondContact O-N 2.69Å; E548-L550 VanDerWaalsContact O-N 3.1Å; L550-E552 PolarHBondContact O-N 2.74Å; L550-S553 PolarHBondContact O-N 3.01Å; L550-S553 PolarHBondContact O-OG 3.02Å; L550-F554 PolarHBondContact O-N 3.1Å; L550-F554 VanDerWaalsContact O-N 3.17Å; L550-V560 HydrophobicContact CB-CG2 3.55Å; L550-I563 HydrophobicContact CD1-CD1 3.36Å |
| 551 | I | 80.9 | Confident | 78.8 | Confident | 6 Ų | 6 | 29.1 Ų | 29.1 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.6 | -34.1 | 175.1 | -67.7 | 173 | 0 | 0 | 0 | 110.8 | I547 E548 S553 F554 V560 Y564 V594 P595 Y596 | I547-I551 HydrophobicContact CG2-CD1 3.49Å; I547-I551 VanDerWaalsContact CG2-CD1 3.49Å; I547-I551 HydrophobicContact CG2-CG1 4.22Å; I547-I551 WeakPolarHBondContact O-CB 3.49Å; I547-I551 VanDerWaalsContact O-CG1 3.29Å; I547-I551 WeakPolarHBondContact O-CG1 3.36Å; I547-I551 PolarHBondContact O-N 2.9Å; E548-I551 PolarHBondContact O-N 3.12Å; I551-S553 PolarHBondContact O-N 3.21Å; I551-S553 VanDerWaalsContact O-N 3.15Å; I551-F554 WeakPolarHBondContact O-CB 3.49Å; I551-F554 PolarHBondContact O-N 3.1Å; I551-F554 VanDerWaalsContact O-N 3.07Å; I551-V560 HydrophobicContact CG1-CG1 4.1Å; I551-V560 HydrophobicContact CG1-CG2 4.13Å; I551-Y564 WeakPolarHBondContact CD1-OH 3.48Å; I551-V594 HydrophobicContact CG2-CG1 4.37Å; I551-P595 HydrophobicContact CG2-CG 4.14Å; I551-Y596 HydrophobicContact CG2-CD2 3.93Å; I551-Y596 HydrophobicContact CG2-CG 4.42Å |
| 552 | E | 79.9 | Confident | 79.3 | Confident | 53 Ų | 53 | 27.4 Ų | 27.4 | 25% | 0.248 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -23.3 | 172.6 | -70.9 | -169.7 | -156.7 | 0 | 0 | 114 | E548 L550 Y596 Y673 V682 | E548-E552 WeakPolarHBondContact O-CG 3.38Å; E548-E552 PolarHBondContact O-N 2.93Å; E548-E552 VanDerWaalsContact O-N 3.09Å; L550-E552 PolarHBondContact O-N 2.74Å; E552-Y596 HydrophobicContact CG-CD2 3.88Å; E552-Y596 HydrophobicContact CG-CE2 4.15Å; E552-Y673 VanDerWaalsContact CG-OH 3.25Å; E552-Y673 WeakPolarHBondContact CG-OH 3.26Å; E552-Y673 PolarHBondContact OE1-OH 2.77Å; E552-Y673 PolarHBondContact OE2-OH 2.89Å; E552-V682 VanDerWaalsContact O-CG2 3.29Å; E552-V682 WeakPolarHBondContact O-CG2 3.45Å |
| 553 | S | 78.6 | Confident | 79.7 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -5.3 | 175.7 | 63 | 0 | 0 | 0 | 0 | 114.5 | L550 I551 Y556 D557 | L550-S553 PolarHBondContact O-N 3.01Å; L550-S553 PolarHBondContact O-OG 3.02Å; I551-S553 PolarHBondContact O-N 3.21Å; I551-S553 VanDerWaalsContact O-N 3.15Å; S553-Y556 WeakPolarHBondContact O-CB 3.37Å; S553-Y556 PolarHBondContact O-N 2.77Å; S553-D557 PolarHBondContact O-N 2.85Å |
| 554 | F | 80.4 | Confident | 79.9 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 1% | 0.013 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 139.8 | 177.5 | -174.5 | -96.1 | 0 | 0 | 0 | 110.2 | L550 I551 D557 L558 V560 V594 A598 Y687 L689 V692 | L550-F554 PolarHBondContact O-N 3.1Å; L550-F554 VanDerWaalsContact O-N 3.17Å; I551-F554 WeakPolarHBondContact O-CB 3.49Å; I551-F554 PolarHBondContact O-N 3.1Å; I551-F554 VanDerWaalsContact O-N 3.07Å; F554-D557 WeakPolarHBondContact CD2-O 3.44Å; F554-L558 HydrophobicContact CD2-CD2 4.38Å; F554-L558 HydrophobicContact CE2-CD2 3.79Å; F554-V560 HydrophobicContact CB-CG2 4.22Å; F554-V560 HydrophobicContact CD2-CB 4.35Å; F554-V560 HydrophobicContact CD2-CG2 4.31Å; F554-V594 HydrophobicContact CD1-CG1 3.89Å; F554-V594 HydrophobicContact CE1-CG1 4.17Å; F554-A598 WeakPolarHBondContact O-CB 3.35Å; F554-A598 PolarHBondContact O-N 3.49Å; F554-Y687 WeakPolarHBondContact CD1-OH 3.33Å; F554-Y687 HydrophobicContact CE1-CE2 4.41Å; F554-Y687 WeakPolarHBondContact CE1-OH 3.41Å; F554-L689 HydrophobicContact CE1-CD1 3.75Å; F554-L689 HydrophobicContact CE2-CD1 4.13Å; F554-L689 HydrophobicContact CZ-CD1 3.33Å; F554-L689 HydrophobicContact CZ-CG 4.48Å; F554-V692 HydrophobicContact CE1-CG2 3.86Å; F554-V692 HydrophobicContact CZ-CB 4.21Å; F554-V692 HydrophobicContact CZ-CG1 4.04Å; F554-V692 HydrophobicContact CZ-CG2 3.91Å |
| 555 | P | 76 | Confident | 80.2 | Confident | 11 Ų | 11 | 21.8 Ų | 21.8 | 7% | 0.071 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -95.5 | 11.3 | 7.6 | 37.1 | -33.6 | 0 | 0 | 0 | 115 | M641 V692 R750 | P555-M641 HydrophobicContact CB-CE 4.21Å; P555-M641 HydrophobicContact CG-CE 3.51Å; P555-V692 HydrophobicContact CB-CG1 3.54Å; P555-V692 HydrophobicContact CB-CG2 4.12Å; P555-V692 HydrophobicContact CG-CG1 4.48Å; P555-R750 PolarHBondContact O-NH2 3.22Å |
| 556 | Y | 74.4 | Confident | 80.3 | Confident | 74 Ų | 74 | 19.9 Ų | 19.9 | 29% | 0.29 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -49.6 | 178.3 | -148.4 | -62.1 | 0 | 0 | 0 | 109.8 | F484 D485 S553 P600 R750 | F484-Y556 HydrophobicContact CB-CE1 3.76Å; D485-Y556 PolarHBondContact OD1-OH 3.37Å; S553-Y556 WeakPolarHBondContact O-CB 3.37Å; S553-Y556 PolarHBondContact O-N 2.77Å; Y556-P600 HydrophobicContact CE2-CB 4.37Å; Y556-P600 HydrophobicContact CE2-CG 4.1Å; Y556-R750 PolarHBondContact O-NH1 3.45Å |
| 557 | D | 76.9 | Confident | 80.2 | Confident | 26 Ų | 26 | 20 Ų | 20 | 14% | 0.139 | 10% | 0.099 | C | C | . | . | trans | -86.1 | 137.1 | 165.1 | -175.7 | 52.7 | 0 | 0 | 0 | 110.9 | R492 S553 F554 S559 | R492-D557 IonicContact CZ-OD1 2.68Å; R492-D557 IonicContact CZ-OD2 3.64Å; R492-D557 IonicContact NH1-OD1 2.72Å; R492-D557 PolarHBondContact NH1-OD1 3.47Å; R492-D557 IonicContact NH1-OD2 2.71Å; R492-D557 PolarHBondContact NH1-OD2 2.84Å; R492-D557 IonicContact NH2-OD1 3.17Å; R492-D557 PolarHBondContact NH2-OD1 3.27Å; R492-D557 IonicContact NH2-OD2 3.94Å; R492-D557 PolarHBondContact NH2-OD2 2.9Å; S553-D557 PolarHBondContact O-N 2.85Å; F554-D557 WeakPolarHBondContact CD2-O 3.44Å; D557-S559 PolarHBondContact OD1-OG 3.12Å; D557-S559 WeakPolarHBondContact OD2-CB 3.17Å; D557-S559 PolarHBondContact OD2-N 3.32Å; D557-S559 PolarHBondContact OD2-OG 3.09Å | ||
| 558 | L | 80.4 | Confident | 80 | Confident | 6 Ų | 6 | 19.1 Ų | 19.1 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | trans | -103.4 | -1.5 | 176.4 | -67.5 | -175.3 | 0 | 0 | 0 | 113.3 | F554 V560 L561 R750 L754 | F554-L558 HydrophobicContact CD2-CD2 4.38Å; F554-L558 HydrophobicContact CE2-CD2 3.79Å; L558-V560 PolarHBondContact O-N 3.41Å; L558-L561 HydrophobicContact CB-CD1 4.23Å; L558-L561 HydrophobicContact CD2-CD1 4.17Å; L558-L561 VanDerWaalsContact O-CB 3.29Å; L558-L561 WeakPolarHBondContact O-CB 3.2Å; L558-L561 WeakPolarHBondContact O-CG 3.33Å; L558-L561 PolarHBondContact O-N 3.28Å; L558-R750 HydrophobicContact CD1-CB 3.74Å; L558-R750 HydrophobicContact CD1-CG 3.89Å; L558-L754 HydrophobicContact CD1-CG 4.43Å | ||
| 559 | S | 79.9 | Confident | 79.5 | Confident | 7 Ų | 7 | 16.6 Ų | 16.6 | 5% | 0.049 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.5 | -19.4 | -173.9 | -55.1 | 0 | 0 | 0 | 0 | 114.6 | R492 D557 L561 R562 | R492-S559 PolarHBondContact NH1-OG 2.86Å; D557-S559 PolarHBondContact OD1-OG 3.12Å; D557-S559 WeakPolarHBondContact OD2-CB 3.17Å; D557-S559 PolarHBondContact OD2-N 3.32Å; D557-S559 PolarHBondContact OD2-OG 3.09Å; S559-L561 PolarHBondContact O-N 3.03Å; S559-R562 PolarHBondContact O-N 3.25Å |
| 560 | V | 84.5 | Confident | 78.7 | Confident | 3 Ų | 3 | 17.6 Ų | 17.6 | 2% | 0.018 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -49.7 | -41.4 | 166.1 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | L550 I551 F554 L558 R562 I563 Y564 | L550-V560 HydrophobicContact CB-CG2 3.55Å; I551-V560 HydrophobicContact CG1-CG1 4.1Å; I551-V560 HydrophobicContact CG1-CG2 4.13Å; F554-V560 HydrophobicContact CB-CG2 4.22Å; F554-V560 HydrophobicContact CD2-CB 4.35Å; F554-V560 HydrophobicContact CD2-CG2 4.31Å; L558-V560 PolarHBondContact O-N 3.41Å; V560-R562 PolarHBondContact O-N 3.32Å; V560-I563 WeakPolarHBondContact O-CB 3.25Å; V560-I563 PolarHBondContact O-N 3.46Å; V560-I563 VanDerWaalsContact O-N 3.09Å; V560-Y564 HydrophobicContact CG1-CD1 4.22Å; V560-Y564 HydrophobicContact CG1-CD2 4.1Å; V560-Y564 HydrophobicContact CG1-CE1 3.74Å; V560-Y564 HydrophobicContact CG1-CE2 3.62Å; V560-Y564 HydrophobicContact CG1-CG 4.39Å; V560-Y564 VanDerWaalsContact CG1-CZ 3.41Å; V560-Y564 PolarHBondContact O-N 2.85Å |
| 561 | L | 82.3 | Confident | 77.5 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | -176.7 | -63.3 | -179.3 | 0 | 0 | 0 | 111.8 | L558 S559 I563 Y564 T565 L689 L754 F757 | L558-L561 HydrophobicContact CB-CD1 4.23Å; L558-L561 HydrophobicContact CD2-CD1 4.17Å; L558-L561 VanDerWaalsContact O-CB 3.29Å; L558-L561 WeakPolarHBondContact O-CB 3.2Å; L558-L561 WeakPolarHBondContact O-CG 3.33Å; L558-L561 PolarHBondContact O-N 3.28Å; S559-L561 PolarHBondContact O-N 3.03Å; L561-I563 PolarHBondContact O-N 3.22Å; L561-Y564 CarbonylContact O-C 3.55Å; L561-Y564 PolarHBondContact O-N 3.1Å; L561-T565 WeakPolarHBondContact O-CB 3.31Å; L561-T565 PolarHBondContact O-N 2.83Å; L561-T565 PolarHBondContact O-OG1 3.15Å; L561-L689 HydrophobicContact CD2-CD1 4.07Å; L561-L689 HydrophobicContact CD2-CD2 3.87Å; L561-L689 HydrophobicContact CD2-CG 4.41Å; L561-L754 HydrophobicContact CD1-CD2 3.53Å; L561-L754 HydrophobicContact CD1-CG 4.11Å; L561-F757 HydrophobicContact CB-CB 4.38Å; L561-F757 HydrophobicContact CD2-CD1 4.45Å; L561-F757 HydrophobicContact CD2-CD2 4.21Å; L561-F757 HydrophobicContact CD2-CG 4.17Å |
| 562 | R | 81.9 | Confident | 76 | Confident | 45 Ų | 45 | 25.7 Ų | 25.7 | 17% | 0.17 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.7 | -31.5 | 177.1 | -61.5 | -171 | -171.3 | 151.2 | 16.9 | 112.2 | D493 T497 S559 V560 S566 D753 | D493-R562 IonicContact OD1-CZ 3.92Å; D493-R562 IonicContact OD1-NH1 2.69Å; D493-R562 PolarHBondContact OD1-NH1 2.98Å; D493-R562 IonicContact OD1-NH2 3.77Å; D493-R562 IonicContact OD2-NH1 3.23Å; T497-R562 PolarHBondContact OG1-NH1 3.12Å; S559-R562 PolarHBondContact O-N 3.25Å; V560-R562 PolarHBondContact O-N 3.32Å; R562-S566 PolarHBondContact O-N 3.24Å; R562-S566 PolarHBondContact O-OG 2.9Å; R562-D753 IonicContact CZ-OD1 2.9Å; R562-D753 VanDerWaalsContact CZ-OD1 3.29Å; R562-D753 IonicContact CZ-OD2 3.47Å; R562-D753 IonicContact NE-OD1 2.71Å; R562-D753 PolarHBondContact NE-OD1 2.85Å; R562-D753 IonicContact NE-OD2 2.75Å; R562-D753 IonicContact NH2-OD1 3.79Å; R562-D753 PolarHBondContact NH2-OD1 3.28Å; R562-D753 IonicContact NH2-OD2 3.77Å; R562-D753 PolarHBondContact NH2-OD2 3.45Å |
| 563 | I | 83.9 | Confident | 74.1 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -74.3 | -43.9 | 174.8 | -57.9 | 172.2 | 0 | 0 | 0 | 110.5 | L503 I543 L546 I547 L550 V560 L561 T565 S566 L567 | L503-I563 HydrophobicContact CD2-CG2 3.91Å; I543-I563 HydrophobicContact CG2-CG2 4.39Å; L546-I563 HydrophobicContact CD2-CD1 3.35Å; I547-I563 HydrophobicContact CD1-CG2 4.03Å; I547-I563 HydrophobicContact CG1-CG2 4.06Å; L550-I563 HydrophobicContact CD1-CD1 3.36Å; V560-I563 WeakPolarHBondContact O-CB 3.25Å; V560-I563 PolarHBondContact O-N 3.46Å; V560-I563 VanDerWaalsContact O-N 3.09Å; L561-I563 PolarHBondContact O-N 3.22Å; I563-T565 PolarHBondContact O-N 2.99Å; I563-S566 WeakPolarHBondContact CA-OG 3.46Å; I563-S566 PolarHBondContact O-N 2.85Å; I563-S566 PolarHBondContact O-OG 3.1Å; I563-L567 HydrophobicContact CG2-CD1 4.02Å; I563-L567 WeakPolarHBondContact O-CG 3.15Å; I563-L567 PolarHBondContact O-N 3.11Å |
| 564 | Y | 86 | Confident | 72.3 | Confident | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -42.9 | 173.5 | -65.9 | -9.2 | 0 | 0 | 0 | 112 | I551 V560 L561 S566 L567 L568 V587 F757 | I551-Y564 WeakPolarHBondContact CD1-OH 3.48Å; V560-Y564 HydrophobicContact CG1-CD1 4.22Å; V560-Y564 HydrophobicContact CG1-CD2 4.1Å; V560-Y564 HydrophobicContact CG1-CE1 3.74Å; V560-Y564 HydrophobicContact CG1-CE2 3.62Å; V560-Y564 HydrophobicContact CG1-CG 4.39Å; V560-Y564 VanDerWaalsContact CG1-CZ 3.41Å; V560-Y564 PolarHBondContact O-N 2.85Å; L561-Y564 CarbonylContact O-C 3.55Å; L561-Y564 PolarHBondContact O-N 3.1Å; Y564-S566 VanDerWaalsContact C-N 3.3Å; Y564-S566 PolarHBondContact O-N 2.89Å; Y564-L567 PolarHBondContact O-N 3.17Å; Y564-L567 VanDerWaalsContact O-N 3.12Å; Y564-L568 WeakPolarHBondContact O-CB 3.4Å; Y564-L568 VanDerWaalsContact O-CG 3.3Å; Y564-L568 WeakPolarHBondContact O-CG 3.45Å; Y564-L568 PolarHBondContact O-N 3.42Å; Y564-V587 HydrophobicContact CD1-CG1 4.38Å; Y564-V587 HydrophobicContact CG-CG1 4.1Å; Y564-F757 HydrophobicContact CD2-CE2 4.3Å |
| 565 | T | 81.5 | Confident | 70.3 | Confident | 20 Ų | 20 | 42.7 Ų | 42.7 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.9 | -40.8 | 173.6 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | L561 I563 E756 F757 A760 | L561-T565 WeakPolarHBondContact O-CB 3.31Å; L561-T565 PolarHBondContact O-N 2.83Å; L561-T565 PolarHBondContact O-OG1 3.15Å; I563-T565 PolarHBondContact O-N 2.99Å; T565-E756 HydrophobicContact CG2-CB 4.4Å; T565-F757 VanDerWaalsContact OG1-CA 3.28Å; T565-F757 WeakPolarHBondContact OG1-CA 3.2Å; T565-A760 HydrophobicContact CG2-CB 3.87Å |
| 566 | S | 78.3 | Confident | 68.6 | Low | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -78.3 | -17.8 | 178.2 | 48.8 | 0 | 0 | 0 | 0 | 114.5 | S500 R562 I563 Y564 | S500-S566 VanDerWaalsContact O-CB 3.25Å; S500-S566 WeakPolarHBondContact O-CB 3.5Å; R562-S566 PolarHBondContact O-N 3.24Å; R562-S566 PolarHBondContact O-OG 2.9Å; I563-S566 WeakPolarHBondContact CA-OG 3.46Å; I563-S566 PolarHBondContact O-N 2.85Å; I563-S566 PolarHBondContact O-OG 3.1Å; Y564-S566 VanDerWaalsContact C-N 3.3Å; Y564-S566 PolarHBondContact O-N 2.89Å |
| 567 | L | 79 | Confident | 66.9 | Low | 13 Ų | 13 | 54.9 Ų | 54.9 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -90.2 | -23.7 | 172.4 | -69.5 | 168.5 | 0 | 0 | 0 | 113.1 | L503 V507 I539 I547 I563 Y564 V569 V587 | L503-L567 HydrophobicContact CD1-CD2 4.29Å; L503-L567 HydrophobicContact CD2-CD2 4.14Å; L503-L567 HydrophobicContact CD2-CG 4.12Å; L503-L567 HydrophobicContact CG-CD2 4.43Å; V507-L567 HydrophobicContact CG2-CD2 3.93Å; I539-L567 HydrophobicContact CG2-CD2 4.21Å; I547-L567 HydrophobicContact CD1-CD1 4.32Å; I563-L567 HydrophobicContact CG2-CD1 4.02Å; I563-L567 WeakPolarHBondContact O-CG 3.15Å; I563-L567 PolarHBondContact O-N 3.11Å; Y564-L567 PolarHBondContact O-N 3.17Å; Y564-L567 VanDerWaalsContact O-N 3.12Å; L567-V569 VanDerWaalsContact C-N 3.32Å; L567-V569 PolarHBondContact O-N 3.01Å; L567-V587 HydrophobicContact CB-CG2 3.81Å; L567-V587 HydrophobicContact CD1-CG2 4.13Å |
| 568 | L | 76.2 | Confident | 65 | Low | 6 Ų | 6 | 58.2 Ų | 58.2 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | trans | -79.9 | 76.9 | 176.4 | -74.9 | 174 | 0 | 0 | 0 | 111 | Y564 V584 V587 F757 A760 C764 L766 | Y564-L568 WeakPolarHBondContact O-CB 3.4Å; Y564-L568 VanDerWaalsContact O-CG 3.3Å; Y564-L568 WeakPolarHBondContact O-CG 3.45Å; Y564-L568 PolarHBondContact O-N 3.42Å; L568-V584 HydrophobicContact CD2-CG1 4.09Å; L568-V587 HydrophobicContact CD1-CG1 4.23Å; L568-V587 HydrophobicContact CD2-CB 4.13Å; L568-V587 HydrophobicContact CD2-CG1 3.9Å; L568-V587 HydrophobicContact CG-CG1 3.91Å; L568-F757 HydrophobicContact CD1-CD2 4.33Å; L568-F757 HydrophobicContact CD1-CE2 3.84Å; L568-A760 HydrophobicContact CB-CB 3.77Å; L568-A760 HydrophobicContact CD1-CB 4.26Å; L568-C764 PolarHBondContact O-SG 2.95Å; L568-C764 VanDerWaalsContact O-SG 3.33Å; L568-L766 HydrophobicContact CD2-CD1 3.74Å | ||
| 569 | V | 68.4 | Low | 63.2 | Low | 23 Ų | 23 | 60.4 Ų | 60.4 | 14% | 0.139 | 34% | 0.344 | C | S | . | . | trans | -103 | 132.1 | 175 | 176.9 | 0 | 0 | 0 | 0 | 110.4 | V507 T508 L567 S571 V584 C764 | V507-V569 HydrophobicContact CB-CG2 4.37Å; V507-V569 HydrophobicContact CG1-CB 4.37Å; V507-V569 HydrophobicContact CG1-CG2 3.76Å; T508-V569 HydrophobicContact CG2-CB 4.31Å; T508-V569 HydrophobicContact CG2-CG1 3.69Å; T508-V569 HydrophobicContact CG2-CG2 3.58Å; L567-V569 VanDerWaalsContact C-N 3.32Å; L567-V569 PolarHBondContact O-N 3.01Å; V569-S571 PolarHBondContact O-N 3.14Å; V569-S571 VanDerWaalsContact O-N 3.15Å; V569-V584 WeakPolarHBondContact O-CG2 3.29Å; V569-C764 VanDerWaalsContact C-SG 3.55Å | ||
| 570 | P | 63.4 | Low | 61.5 | Low | 61 Ų | 61 | 64.8 Ų | 64.8 | 40% | 0.396 | 38% | 0.375 | S | S | . | . | trans | -63.2 | 115.2 | 174 | 22.8 | -32 | 0 | 0 | 0 | 111.8 | N572 K763 | P570-N572 PolarHBondContact O-N 3.08Å; P570-K763 WeakPolarHBondContact CB-O 3.38Å | ||
| 571 | S | 54.4 | Low | 59.9 | Low | 81 Ų | 81 | 70.9 Ų | 70.9 | 57% | 0.566 | 41% | 0.406 | S | S | * | . | trans | -80.9 | 109 | 173.6 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | V569 S573 | V569-S571 PolarHBondContact O-N 3.14Å; V569-S571 VanDerWaalsContact O-N 3.15Å; S571-S573 PolarHBondContact O-N 3.21Å | ||
| 572 | N | 50.3 | Low | 58.9 | Low | 95 Ų | 95 | 74.6 Ų | 74.6 | 51% | 0.508 | 43% | 0.426 | S | S | . | . | trans | -54.8 | 114.6 | 175.9 | -83.6 | -22.7 | 0 | 0 | 0 | 111 | P570 T574 | P570-N572 PolarHBondContact O-N 3.08Å; N572-T574 PolarHBondContact O-N 2.99Å | ||
| 573 | S | 39.4 | Very low | 58.4 | Low | 110 Ų | 110 | 75.3 Ų | 75.3 | 77% | 0.769 | 43% | 0.433 | S | S | * | . | trans | -87.1 | 78.2 | -159.6 | 47.9 | 0 | 0 | 0 | 0 | 113.4 | S571 | S571-S573 PolarHBondContact O-N 3.21Š| ||
| 574 | T | 40.2 | Very low | 57.9 | Low | 120 Ų | 120 | 76.2 Ų | 76.2 | 74% | 0.736 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -163.8 | 128.7 | 150.3 | 8.9 | 0 | 0 | 0 | 0 | 114.6 | N572 I576 | N572-T574 PolarHBondContact O-N 2.99Å; T574-I576 PolarHBondContact O-N 3.32Å |
| 575 | K | 39.7 | Very low | 57.4 | Low | 185 Ų | 185 | 79.9 Ų | 79.9 | 80% | 0.804 | 46% | 0.458 | S | S | * | . | trans | 61.9 | 38.4 | 153.3 | -58.2 | -176.7 | 178.2 | -178.6 | 0 | 119.9 | ||||
| 576 | I | 39.8 | Very low | 57.1 | Low | 133 Ų | 133 | 82.9 Ų | 82.9 | 68% | 0.682 | 47% | 0.47 | S | S | * | . | trans | -107.2 | 129.4 | 150.9 | -58 | -179.2 | 0 | 0 | 0 | 107.7 | T574 | T574-I576 PolarHBondContact O-N 3.32Š| ||
| 577 | K | 38.2 | Very low | 57.2 | Low | 209 Ų | 209 | 83 Ų | 83 | 91% | 0.909 | 47% | 0.471 | S | S | * | . | trans | -127.9 | 15 | -159.5 | -135.7 | -171.3 | -176.4 | -166.6 | 0 | 114.9 | ||||
| 578 | S | 37 | Very low | 57.3 | Low | 95 Ų | 95 | 86.4 Ų | 86.4 | 66% | 0.664 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -154.4 | 140.4 | -170.6 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 579 | G | 42.7 | Very low | 57.5 | Low | 52 Ų | 52 | 92.4 Ų | 92.4 | 54% | 0.536 | 51% | 0.513 | S | S | . | . | S | Bend | trans | 98.3 | -104.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I581 | G579-I581 PolarHBondContact O-N 2.8Š|
| 580 | S | 45.3 | Very low | 58.2 | Low | 100 Ų | 100 | 95.3 Ų | 95.3 | 70% | 0.699 | 52% | 0.524 | S | S | * | . | trans | -70.7 | 92 | -168.9 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | N582 | S580-N582 PolarHBondContact O-N 3.43Š| ||
| 581 | I | 49.7 | Very low | 59.2 | Low | 130 Ų | 130 | 92.4 Ų | 92.4 | 67% | 0.667 | 51% | 0.505 | S | S | * | . | trans | -57.4 | 124.3 | 171.3 | -54.6 | 173.4 | 0 | 0 | 0 | 109.1 | G579 L583 | G579-I581 PolarHBondContact O-N 2.8Å; I581-L583 PolarHBondContact O-N 2.88Å | ||
| 582 | N | 62.5 | Low | 60.5 | Low | 79 Ų | 79 | 91.2 Ų | 91.2 | 42% | 0.422 | 49% | 0.492 | S | S | . | . | trans | -33.4 | 105.9 | -172.2 | -72.4 | 12 | 0 | 0 | 0 | 114.6 | S580 V584 N585 H586 | S580-N582 PolarHBondContact O-N 3.43Å; N582-V584 PolarHBondContact O-N 3.31Å; N582-N585 HydrophobicContact CB-CB 3.78Å; N582-N585 VanDerWaalsContact CB-CG 3.44Å; N582-N585 PolarHBondContact ND2-OD1 3.36Å; N582-N585 VanDerWaalsContact ND2-OD1 3.13Å; N582-N585 WeakPolarHBondContact O-CB 3.27Å; N582-N585 PolarHBondContact O-N 3.1Å; N582-H586 PolarHBondContact O-N 2.95Å; N582-H586 PolarHBondContact O-ND1 2.99Å | ||
| 583 | L | 69.8 | Low | 62.1 | Low | 61 Ų | 61 | 91.5 Ų | 91.5 | 32% | 0.319 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.2 | -39.4 | 170.7 | -69.9 | 170.6 | 0 | 0 | 0 | 111 | V507 I539 I581 N585 H586 V587 | V507-L583 HydrophobicContact CG1-CD1 3.84Å; I539-L583 HydrophobicContact CD1-CD1 4.5Å; I581-L583 PolarHBondContact O-N 2.88Å; L583-N585 VanDerWaalsContact C-N 3.25Å; L583-N585 PolarHBondContact O-N 3.22Å; L583-H586 PolarHBondContact O-N 3.23Å; L583-H586 VanDerWaalsContact O-N 3.12Å; L583-V587 WeakPolarHBondContact O-CG2 3.47Å; L583-V587 PolarHBondContact O-N 3.33Å |
| 584 | V | 74.4 | Confident | 64.2 | Low | 21 Ų | 21 | 86.3 Ų | 86.3 | 13% | 0.127 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -56.3 | -34.9 | 174.5 | -177.4 | 0 | 0 | 0 | 0 | 112.5 | L568 V569 N582 K588 C764 L766 | L568-V584 HydrophobicContact CD2-CG1 4.09Å; V569-V584 WeakPolarHBondContact O-CG2 3.29Å; N582-V584 PolarHBondContact O-N 3.31Å; V584-K588 WeakPolarHBondContact O-CB 3.31Å; V584-K588 PolarHBondContact O-N 3.07Å; V584-C764 HydrophobicContact CG1-CB 4.36Å; V584-L766 HydrophobicContact CG1-CD1 3.89Å; V584-L766 HydrophobicContact CG1-CD2 4.49Å; V584-L766 HydrophobicContact CG1-CG 4.39Å |
| 585 | N | 75 | Confident | 66.2 | Low | 81 Ų | 81 | 82.7 Ų | 82.7 | 43% | 0.433 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -71.5 | -42.1 | 176.8 | -71 | 12.7 | 0 | 0 | 0 | 111.5 | N582 L583 K588 E589 | N582-N585 HydrophobicContact CB-CB 3.78Å; N582-N585 VanDerWaalsContact CB-CG 3.44Å; N582-N585 PolarHBondContact ND2-OD1 3.36Å; N582-N585 VanDerWaalsContact ND2-OD1 3.13Å; N582-N585 WeakPolarHBondContact O-CB 3.27Å; N582-N585 PolarHBondContact O-N 3.1Å; L583-N585 VanDerWaalsContact C-N 3.25Å; L583-N585 PolarHBondContact O-N 3.22Å; N585-K588 WeakPolarHBondContact O-CB 3.34Å; N585-K588 PolarHBondContact O-N 3.49Å; N585-E589 PolarHBondContact O-N 3.3Å |
| 586 | H | 75.9 | Confident | 68.3 | Low | 82 Ų | 82 | 75.9 Ų | 75.9 | 38% | 0.38 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 177.3 | -61.5 | 93.4 | 0 | 0 | 0 | 111.2 | N582 L583 K588 E589 F590 | N582-H586 PolarHBondContact O-N 2.95Å; N582-H586 PolarHBondContact O-ND1 2.99Å; L583-H586 PolarHBondContact O-N 3.23Å; L583-H586 VanDerWaalsContact O-N 3.12Å; H586-K588 VanDerWaalsContact C-N 3.3Å; H586-K588 PolarHBondContact O-N 2.74Å; H586-E589 PolarHBondContact O-N 3.35Å; H586-E589 VanDerWaalsContact O-N 3.16Å; H586-F590 WeakPolarHBondContact O-CD2 3.46Å; H586-F590 PolarHBondContact O-N 3.43Å |
| 587 | V | 79.8 | Confident | 70.5 | Confident | 5 Ų | 5 | 69.6 Ų | 69.6 | 3% | 0.03 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.9 | -37.8 | 174.1 | -179 | 0 | 0 | 0 | 0 | 111.1 | Y564 L567 L568 L583 E589 F590 I591 | Y564-V587 HydrophobicContact CD1-CG1 4.38Å; Y564-V587 HydrophobicContact CG-CG1 4.1Å; L567-V587 HydrophobicContact CB-CG2 3.81Å; L567-V587 HydrophobicContact CD1-CG2 4.13Å; L568-V587 HydrophobicContact CD1-CG1 4.23Å; L568-V587 HydrophobicContact CD2-CB 4.13Å; L568-V587 HydrophobicContact CD2-CG1 3.9Å; L568-V587 HydrophobicContact CG-CG1 3.91Å; L583-V587 WeakPolarHBondContact O-CG2 3.47Å; L583-V587 PolarHBondContact O-N 3.33Å; V587-E589 VanDerWaalsContact C-N 3.29Å; V587-E589 PolarHBondContact O-N 3.13Å; V587-F590 PolarHBondContact O-N 3.15Å; V587-I591 HydrophobicContact CG1-CD1 3.93Å; V587-I591 HydrophobicContact CG1-CG1 4.33Å; V587-I591 VanDerWaalsContact O-CG1 3.23Å; V587-I591 WeakPolarHBondContact O-CG1 3.46Å; V587-I591 PolarHBondContact O-N 2.96Å |
| 588 | K | 81.2 | Confident | 72.6 | Confident | 86 Ų | 86 | 60 Ų | 60 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.4 | -33 | 174.1 | -175.4 | -178.1 | -175.4 | 172.7 | 0 | 113.3 | V584 N585 H586 L766 Y767 | V584-K588 WeakPolarHBondContact O-CB 3.31Å; V584-K588 PolarHBondContact O-N 3.07Å; N585-K588 WeakPolarHBondContact O-CB 3.34Å; N585-K588 PolarHBondContact O-N 3.49Å; H586-K588 VanDerWaalsContact C-N 3.3Å; H586-K588 PolarHBondContact O-N 2.74Å; K588-L766 HydrophobicContact CB-CD1 4.3Å; K588-L766 HydrophobicContact CD-CD2 3.89Å; K588-L766 HydrophobicContact CG-CD2 4.46Å; K588-Y767 WeakPolarHBondContact CE-OH 3.44Å; K588-Y767 HydrophobicContact CG-CE2 3.9Å; K588-Y767 WeakPolarHBondContact CG-OH 3.42Å |
| 589 | E | 81.3 | Confident | 74.6 | Confident | 131 Ų | 131 | 56 Ų | 56 | 61% | 0.612 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -72.3 | -46 | 172.1 | -71.4 | 179.7 | 168.3 | 0 | 0 | 111.3 | N585 H586 V587 I591 N592 H593 | N585-E589 PolarHBondContact O-N 3.3Å; H586-E589 PolarHBondContact O-N 3.35Å; H586-E589 VanDerWaalsContact O-N 3.16Å; V587-E589 VanDerWaalsContact C-N 3.29Å; V587-E589 PolarHBondContact O-N 3.13Å; E589-I591 VanDerWaalsContact C-N 3.27Å; E589-I591 PolarHBondContact O-N 3.32Å; E589-N592 PolarHBondContact O-N 3.18Å; E589-H593 PolarHBondContact O-N 3.19Å |
| 590 | F | 82.4 | Confident | 76.2 | Confident | 84 Ų | 84 | 56 Ų | 56 | 37% | 0.368 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.8 | -30.5 | 174.9 | -70.7 | -59.9 | 0 | 0 | 0 | 113.8 | H586 V587 N592 V594 | H586-F590 WeakPolarHBondContact O-CD2 3.46Å; H586-F590 PolarHBondContact O-N 3.43Å; V587-F590 PolarHBondContact O-N 3.15Å; F590-N592 VanDerWaalsContact C-N 3.26Å; F590-N592 PolarHBondContact O-N 3.49Å; F590-V594 WeakPolarHBondContact O-CG2 3.45Å; F590-V594 PolarHBondContact O-N 2.68Å |
| 591 | I | 83.7 | Confident | 77.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.7 | -28.5 | 172.8 | -72.2 | 164.2 | 0 | 0 | 0 | 112 | V587 E589 S688 L689 F757 Y767 | V587-I591 HydrophobicContact CG1-CD1 3.93Å; V587-I591 HydrophobicContact CG1-CG1 4.33Å; V587-I591 VanDerWaalsContact O-CG1 3.23Å; V587-I591 WeakPolarHBondContact O-CG1 3.46Å; V587-I591 PolarHBondContact O-N 2.96Å; E589-I591 VanDerWaalsContact C-N 3.27Å; E589-I591 PolarHBondContact O-N 3.32Å; I591-S688 WeakPolarHBondContact O-CA 3.29Å; I591-S688 PolarHBondContact O-OG 3.19Å; I591-L689 HydrophobicContact CG1-CD2 4.16Å; I591-L689 HydrophobicContact CG2-CB 4.26Å; I591-L689 WeakPolarHBondContact O-CB 3.36Å; I591-L689 PolarHBondContact O-N 3.32Å; I591-F757 HydrophobicContact CD1-CE2 4.15Å; I591-F757 HydrophobicContact CD1-CZ 3.71Å; I591-F757 HydrophobicContact CG1-CE2 4.44Å; I591-F757 HydrophobicContact CG1-CZ 3.91Å; I591-Y767 HydrophobicContact CB-CE2 4.37Å; I591-Y767 HydrophobicContact CG2-CD2 4.09Å; I591-Y767 HydrophobicContact CG2-CE2 3.72Å |
| 592 | N | 83.5 | Confident | 78.7 | Confident | 56 Ų | 56 | 51.2 Ų | 51.2 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -93 | -33.3 | 179.8 | -70.7 | -7 | 0 | 0 | 0 | 112.9 | E589 F590 Y687 S688 Y767 | E589-N592 PolarHBondContact O-N 3.18Å; F590-N592 VanDerWaalsContact C-N 3.26Å; F590-N592 PolarHBondContact O-N 3.49Å; N592-Y687 CarbonylContact O-C 3.56Å; N592-Y687 VanDerWaalsContact O-C 3.31Å; N592-S688 VanDerWaalsContact O-CA 3.3Å; N592-S688 WeakPolarHBondContact O-CA 3.48Å; N592-S688 PolarHBondContact O-N 3.04Å; N592-Y767 VanDerWaalsContact CG-OH 3.3Å; N592-Y767 PolarHBondContact ND2-OH 2.79Å; N592-Y767 PolarHBondContact OD1-OH 3.47Å |
| 593 | H | 82.8 | Confident | 79.1 | Confident | 101 Ų | 101 | 54.5 Ų | 54.5 | 47% | 0.468 | 27% | 0.273 | S | S | . | . | trans | -127.1 | 68.5 | -173 | -61 | -95.5 | 0 | 0 | 0 | 110.6 | E589 P595 E686 | E589-H593 PolarHBondContact O-N 3.19Å; H593-P595 WeakPolarHBondContact O-CD 3.37Å; H593-E686 IonicContact CE1-OE2 2.75Å; H593-E686 IonicContact CG-OE2 3.81Å; H593-E686 IonicContact ND1-OE2 3.17Å; H593-E686 PolarHBondContact ND1-OE2 2.71Å | ||
| 594 | V | 83.6 | Confident | 79.1 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 121.3 | 167.7 | -175.2 | 0 | 0 | 0 | 0 | 107.5 | I551 F554 F590 E686 Y687 L689 | I551-V594 HydrophobicContact CG2-CG1 4.37Å; F554-V594 HydrophobicContact CD1-CG1 3.89Å; F554-V594 HydrophobicContact CE1-CG1 4.17Å; F590-V594 WeakPolarHBondContact O-CG2 3.45Å; F590-V594 PolarHBondContact O-N 2.68Å; V594-E686 WeakPolarHBondContact O-CA 3.33Å; V594-Y687 HydrophobicContact CB-CD1 4.15Å; V594-Y687 HydrophobicContact CB-CE1 3.82Å; V594-Y687 HydrophobicContact CB-CE2 4.38Å; V594-Y687 WeakPolarHBondContact CB-O 3.36Å; V594-Y687 HydrophobicContact CG1-CE1 3.76Å; V594-Y687 PolarHBondContact N-O 3.1Å; V594-Y687 WeakPolarHBondContact O-CD1 3.41Å; V594-Y687 PolarHBondContact O-N 3.16Å; V594-Y687 VanDerWaalsContact O-N 3.16Å; V594-L689 HydrophobicContact CG2-CB 4.3Å; V594-L689 HydrophobicContact CG2-CD1 4.08Å |
| 595 | P | 82 | Confident | 79.1 | Confident | 43 Ų | 43 | 53.1 Ų | 53.1 | 28% | 0.279 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -18.6 | -167.1 | 33.6 | -37.2 | 0 | 0 | 0 | 115 | I551 H593 I685 | I551-P595 HydrophobicContact CG2-CG 4.14Å; H593-P595 WeakPolarHBondContact O-CD 3.37Å; P595-I685 CarbonylContact C-O 3.58Å; P595-I685 VanDerWaalsContact C-O 3.29Å; P595-I685 PolarHBondContact O-N 3.47Å; P595-I685 VanDerWaalsContact O-N 3.15Å |
| 596 | Y | 84.2 | Confident | 79 | Confident | 43 Ų | 43 | 52 Ų | 52 | 17% | 0.169 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144.4 | -176.8 | -53.3 | -42 | 0 | 0 | 0 | 111.3 | I551 E552 V682 W683 R684 Y687 | I551-Y596 HydrophobicContact CG2-CD2 3.93Å; I551-Y596 HydrophobicContact CG2-CG 4.42Å; E552-Y596 HydrophobicContact CG-CD2 3.88Å; E552-Y596 HydrophobicContact CG-CE2 4.15Å; Y596-V682 HydrophobicContact CG-CG1 4.24Å; Y596-W683 CarbonylContact C-O 3.49Å; Y596-W683 VanDerWaalsContact CA-O 3.3Å; Y596-W683 WeakPolarHBondContact CA-O 3.38Å; Y596-R684 HydrophobicContact CD1-CG 3.99Å; Y596-R684 HydrophobicContact CE1-CG 3.96Å; Y596-Y687 WeakPolarHBondContact O-CE1 3.49Å; Y596-Y687 PolarHBondContact O-OH 3.13Å |
| 597 | L | 84.7 | Confident | 78.9 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 113.4 | 177.8 | -176.9 | 150.5 | 0 | 0 | 0 | 109.7 | V640 V664 W683 I685 Y687 | L597-V640 HydrophobicContact CD2-CB 4.48Å; L597-V640 HydrophobicContact CD2-CG1 4.18Å; L597-V640 HydrophobicContact CD2-CG2 4.24Å; L597-V664 HydrophobicContact CD1-CB 4.32Å; L597-V664 HydrophobicContact CD1-CG1 3.68Å; L597-W683 HydrophobicContact CB-CB 4.43Å; L597-W683 PolarHBondContact N-O 3.27Å; L597-W683 WeakPolarHBondContact O-CB 3.44Å; L597-W683 PolarHBondContact O-N 2.88Å; L597-I685 HydrophobicContact CB-CG2 3.91Å; L597-I685 HydrophobicContact CD1-CG2 4.49Å; L597-Y687 HydrophobicContact CB-CE1 3.72Å; L597-Y687 HydrophobicContact CD1-CD1 4.32Å; L597-Y687 HydrophobicContact CD1-CE1 3.95Å; L597-Y687 HydrophobicContact CD1-CE2 4.36Å; L597-Y687 HydrophobicContact CG-CE1 4.28Å |
| 598 | A | 82.4 | Confident | 78.7 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 5% | 0.05 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 138.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F554 L680 | F554-A598 WeakPolarHBondContact O-CB 3.35Å; F554-A598 PolarHBondContact O-N 3.49Å; A598-L680 HydrophobicContact CB-CD1 4.39Å |
| 599 | E | 79.9 | Confident | 78.1 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 136.1 | 172.7 | -171.3 | 178 | -162 | 0 | 0 | 110.4 | L605 R638 V640 V681 W683 | E599-L605 HydrophobicContact CB-CD2 4.49Å; E599-L605 HydrophobicContact CG-CD2 4.21Å; E599-L605 WeakPolarHBondContact OE2-CD1 3.32Å; E599-R638 IonicContact OE1-CZ 2.73Å; E599-R638 IonicContact OE1-NE 2.96Å; E599-R638 PolarHBondContact OE1-NE 3.02Å; E599-R638 IonicContact OE1-NH2 2.64Å; E599-R638 PolarHBondContact OE1-NH2 3.38Å; E599-R638 IonicContact OE2-NE 2.67Å; E599-R638 PolarHBondContact OE2-NE 2.87Å; E599-V640 HydrophobicContact CG-CG1 4.47Å; E599-V681 PolarHBondContact N-O 3.14Å; E599-V681 PolarHBondContact O-N 2.84Å; E599-W683 PolarHBondContact OE2-NE1 3.03Å |
| 600 | P | 76.4 | Confident | 77.7 | Confident | 51 Ų | 51 | 51.2 Ų | 51.2 | 33% | 0.331 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 139.2 | 179.1 | 27 | -35.7 | 0 | 0 | 0 | 112.5 | Y556 T602 | Y556-P600 HydrophobicContact CE2-CB 4.37Å; Y556-P600 HydrophobicContact CE2-CG 4.1Å; P600-T602 VanDerWaalsContact C-N 3.26Å; P600-T602 PolarHBondContact O-N 3.11Å |
| 601 | L | 73.5 | Confident | 76.8 | Confident | 72 Ų | 72 | 50.6 Ų | 50.6 | 38% | 0.377 | 28% | 0.279 | S | S | . | . | trans | -72.5 | 74.5 | -178.7 | -174.1 | 68.4 | 0 | 0 | 0 | 112.1 | L609 V674 G679 V681 | L601-L609 HydrophobicContact CD1-CD1 3.96Å; L601-V674 HydrophobicContact CD2-CG1 3.93Å; L601-G679 VanDerWaalsContact CB-O 3.25Å; L601-G679 WeakPolarHBondContact CB-O 3.45Å; L601-G679 PolarHBondContact N-O 2.86Å; L601-V681 HydrophobicContact CB-CG2 4.23Å; L601-V681 HydrophobicContact CD1-CG2 3.55Å; L601-V681 HydrophobicContact CG-CG2 4.47Å | ||
| 602 | T | 73.9 | Confident | 75.3 | Confident | 58 Ų | 58 | 56.5 Ų | 56.5 | 36% | 0.356 | 30% | 0.301 | S | S | . | . | trans | -73.6 | 152.9 | 174.2 | 58.1 | 0 | 0 | 0 | 0 | 112 | P600 A604 L605 S606 | P600-T602 VanDerWaalsContact C-N 3.26Å; P600-T602 PolarHBondContact O-N 3.11Å; T602-A604 PolarHBondContact O-N 3.05Å; T602-A604 VanDerWaalsContact O-N 3.11Å; T602-L605 WeakPolarHBondContact O-CB 3.11Å; T602-L605 PolarHBondContact O-N 3.45Å; T602-L605 WeakPolarHBondContact OG1-CB 3.47Å; T602-L605 PolarHBondContact OG1-N 3.39Å; T602-S606 PolarHBondContact O-N 3.44Å | ||
| 603 | E | 70 | Confident | 73.3 | Confident | 147 Ų | 147 | 60.8 Ų | 60.8 | 69% | 0.687 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -55.4 | -25.7 | 169.8 | -88.4 | -148.1 | -170.3 | 0 | 0 | 114.1 | S606 K607 | E603-S606 PolarHBondContact O-OG 3.11Å; E603-K607 WeakPolarHBondContact O-CD 3.35Å; E603-K607 VanDerWaalsContact O-CE 3.22Å; E603-K607 WeakPolarHBondContact O-CE 3.38Å; E603-K607 WeakPolarHBondContact O-CG 3.29Å; E603-K607 PolarHBondContact O-NZ 2.94Å; E603-K607 IonicContact OE2-NZ 2.76Å; E603-K607 PolarHBondContact OE2-NZ 3.12Å |
| 604 | A | 70.8 | Confident | 71.1 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 45% | 0.446 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -72.9 | -46.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | T602 K607 H608 | T602-A604 PolarHBondContact O-N 3.05Å; T602-A604 VanDerWaalsContact O-N 3.11Å; A604-K607 PolarHBondContact O-N 3.38Å; A604-H608 PolarHBondContact O-CD2 3.16Å |
| 605 | L | 73.6 | Confident | 68.9 | Low | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62 | -45 | 178.9 | -171.6 | 67.7 | 0 | 0 | 0 | 111.9 | E599 T602 K607 H608 L609 V681 W683 | E599-L605 HydrophobicContact CB-CD2 4.49Å; E599-L605 HydrophobicContact CG-CD2 4.21Å; E599-L605 WeakPolarHBondContact OE2-CD1 3.32Å; T602-L605 WeakPolarHBondContact O-CB 3.11Å; T602-L605 PolarHBondContact O-N 3.45Å; T602-L605 WeakPolarHBondContact OG1-CB 3.47Å; T602-L605 PolarHBondContact OG1-N 3.39Å; L605-K607 PolarHBondContact O-N 2.99Å; L605-K607 VanDerWaalsContact O-N 3.13Å; L605-H608 WeakPolarHBondContact O-CA 3.41Å; L605-H608 WeakPolarHBondContact O-CB 3.36Å; L605-H608 PolarHBondContact O-N 2.87Å; L605-L609 HydrophobicContact CG-CD2 4.37Å; L605-V681 HydrophobicContact CD2-CB 4Å; L605-V681 HydrophobicContact CD2-CG2 3.61Å; L605-W683 HydrophobicContact CD1-CZ2 4.2Å |
| 606 | S | 72.9 | Confident | 66.4 | Low | 57 Ų | 57 | 71 Ų | 71 | 40% | 0.399 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.7 | -31.9 | -176.4 | 68.1 | 0 | 0 | 0 | 0 | 113.6 | T602 E603 H608 L609 | T602-S606 PolarHBondContact O-N 3.44Å; E603-S606 PolarHBondContact O-OG 3.11Å; S606-H608 PolarHBondContact O-N 3.04Å; S606-L609 PolarHBondContact O-N 3.05Å |
| 607 | K | 74.9 | Confident | 63.6 | Low | 144 Ų | 144 | 79 Ų | 79 | 63% | 0.626 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -8.5 | 176.2 | -65.6 | 162.4 | -169.3 | 147.8 | 0 | 113.6 | E603 A604 L605 | E603-K607 WeakPolarHBondContact O-CD 3.35Å; E603-K607 VanDerWaalsContact O-CE 3.22Å; E603-K607 WeakPolarHBondContact O-CE 3.38Å; E603-K607 WeakPolarHBondContact O-CG 3.29Å; E603-K607 PolarHBondContact O-NZ 2.94Å; E603-K607 IonicContact OE2-NZ 2.76Å; E603-K607 PolarHBondContact OE2-NZ 3.12Å; A604-K607 PolarHBondContact O-N 3.38Å; L605-K607 PolarHBondContact O-N 2.99Å; L605-K607 VanDerWaalsContact O-N 3.13Å |
| 608 | H | 74.3 | Confident | 61 | Low | 67 Ų | 67 | 84.4 Ų | 84.4 | 31% | 0.31 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -5 | 178.3 | -68.5 | -66.6 | 0 | 0 | 0 | 114.6 | A604 L605 S606 N635 | A604-H608 PolarHBondContact O-CD2 3.16Å; L605-H608 WeakPolarHBondContact O-CA 3.41Å; L605-H608 WeakPolarHBondContact O-CB 3.36Å; L605-H608 PolarHBondContact O-N 2.87Å; S606-H608 PolarHBondContact O-N 3.04Å; H608-N635 WeakPolarHBondContact O-CB 3.34Å; H608-N635 PolarHBondContact O-N 3.26Å; H608-N635 PolarHBondContact O-ND2 3.4Å; H608-N635 VanDerWaalsContact O-ND2 3.16Å |
| 609 | L | 69.7 | Low | 58.5 | Low | 31 Ų | 31 | 93.1 Ų | 93.1 | 16% | 0.162 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 143.3 | 178 | -54.6 | 179.8 | 0 | 0 | 0 | 111.2 | L601 L605 S606 V632 N635 V674 V681 W683 | L601-L609 HydrophobicContact CD1-CD1 3.96Å; L605-L609 HydrophobicContact CG-CD2 4.37Å; S606-L609 PolarHBondContact O-N 3.05Å; L609-V632 HydrophobicContact CB-CB 4.23Å; L609-V632 HydrophobicContact CB-CG1 4.15Å; L609-V632 HydrophobicContact CD1-CB 4.5Å; L609-V632 HydrophobicContact CD1-CG1 4.29Å; L609-V632 HydrophobicContact CD1-CG2 4.39Å; L609-V632 HydrophobicContact CD2-CB 4.31Å; L609-V632 HydrophobicContact CD2-CG2 4.21Å; L609-N635 PolarHBondContact O-ND2 3.26Å; L609-V674 HydrophobicContact CD1-CG2 4.38Å; L609-V681 HydrophobicContact CD1-CG2 4.34Å; L609-W683 HydrophobicContact CD2-CH2 3.43Å; L609-W683 VanDerWaalsContact CD2-CH2 3.43Å; L609-W683 HydrophobicContact CD2-CZ2 3.69Å |
| 610 | S | 72.1 | Confident | 56 | Low | 45 Ų | 45 | 99.7 Ų | 99.7 | 32% | 0.315 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140 | 160.1 | 52.8 | 0 | 0 | 0 | 0 | 110.4 | V632 V633 N635 | S610-V632 CarbonylContact O-C 3.51Å; S610-V632 WeakPolarHBondContact O-CA 3.42Å; S610-V633 PolarHBondContact N-O 3.3Å; S610-V633 PolarHBondContact O-N 3.04Å; S610-V633 PolarHBondContact OG-O 3.31Å; S610-N635 WeakPolarHBondContact CB-OD1 3.29Å; S610-N635 PolarHBondContact N-ND2 3.34Å; S610-N635 PolarHBondContact OG-OD1 3.32Å |
| 611 | S | 63 | Low | 53.7 | Low | 72 Ų | 72 | 103.3 Ų | 103.3 | 50% | 0.503 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.2 | 137 | 175.8 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | N613 | S611-N613 PolarHBondContact O-N 3.37Å; S611-N613 VanDerWaalsContact O-N 3.15Å |
| 612 | R | 53 | Low | 51.6 | Low | 123 Ų | 123 | 104.8 Ų | 104.8 | 46% | 0.464 | 58% | 0.578 | S | S | . | * | trans | -82.8 | 92.3 | -174.8 | -168.4 | -168.7 | -171.3 | 165.7 | 9.4 | 112.4 | A614 Q631 | R612-A614 PolarHBondContact O-N 3.36Å; R612-Q631 HydrophobicContact CB-CB 4.05Å; R612-Q631 PolarHBondContact N-O 2.96Å | ||
| 613 | N | 42.3 | Very low | 49.4 | Very low | 146 Ų | 146 | 108.7 Ų | 108.7 | 78% | 0.781 | 60% | 0.602 | S | S | * | * | trans | -74.3 | 109.6 | 172.6 | -74.3 | -16.9 | 0 | 0 | 0 | 112.2 | S611 | S611-N613 PolarHBondContact O-N 3.37Å; S611-N613 VanDerWaalsContact O-N 3.15Å | ||
| 614 | A | 35.3 | Very low | 47.8 | Very low | 83 Ų | 83 | 108.7 Ų | 108.7 | 69% | 0.686 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 44.2 | 120.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | R612 | R612-A614 PolarHBondContact O-N 3.36Š|
| 615 | S | 37.9 | Very low | 46 | Very low | 113 Ų | 113 | 114.8 Ų | 114.8 | 79% | 0.79 | 62% | 0.624 | S | S | * | * | trans | 59.8 | 115.2 | 148.1 | 61.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 616 | L | 29.3 | Very low | 44.2 | Very low | 166 Ų | 166 | 124.2 Ų | 124.2 | 87% | 0.869 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -156.9 | 10.5 | 148.8 | -119.9 | 171 | 0 | 0 | 0 | 114.9 | ||
| 617 | Y | 26.8 | Very low | 42.9 | Very low | 210 Ų | 210 | 127.2 Ų | 127.2 | 82% | 0.824 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -139 | 143.3 | 173.2 | -93.2 | -94.1 | 0 | 0 | 0 | 109.6 | ||
| 618 | P | 29.1 | Very low | 41.6 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 74% | 0.74 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 125.4 | 172.3 | 31 | -32.2 | 0 | 0 | 0 | 110.1 | ||
| 619 | Q | 30.2 | Very low | 40.8 | Very low | 189 Ų | 189 | 127.8 Ų | 127.8 | 88% | 0.883 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 125.3 | 169 | -68 | 179.6 | -71.5 | 0 | 0 | 109.3 | ||
| 620 | L | 27 | Very low | 40.6 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 137.3 | 156.5 | -77.8 | 87.8 | 0 | 0 | 0 | 108.7 | ||
| 621 | T | 28.3 | Very low | 40.7 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | trans | 6.4 | 139.8 | 148.5 | 51.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 622 | S | 29.6 | Very low | 41.4 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | cis | -157.5 | 168.3 | 16.6 | 41.5 | 0 | 0 | 0 | 0 | 113.9 | I624 | S622-I624 PolarHBondContact O-N 2.91Š| ||
| 623 | T | 28.5 | Very low | 42.7 | Very low | 139 Ų | 139 | 125.1 Ų | 125.1 | 85% | 0.853 | 66% | 0.663 | S | S | * | * | trans | -28.9 | 110.4 | 171.8 | 46.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 624 | I | 35.1 | Very low | 44.6 | Very low | 148 Ų | 148 | 118.3 Ų | 118.3 | 76% | 0.759 | 63% | 0.626 | S | S | * | * | trans | -130.7 | 153.2 | 147.6 | -63 | -177.8 | 0 | 0 | 0 | 106.7 | S622 | S622-I624 PolarHBondContact O-N 2.91Š| ||
| 625 | E | 34 | Very low | 46.6 | Very low | 181 Ų | 181 | 118.3 Ų | 118.3 | 85% | 0.846 | 62% | 0.615 | S | S | * | * | trans | -68.2 | 152.5 | -171.7 | -62 | -165.5 | 121.3 | 0 | 0 | 114 | K627 | E625-K627 PolarHBondContact O-N 3.17Å; E625-K627 VanDerWaalsContact O-N 3.09Å | ||
| 626 | K | 34.7 | Very low | 48.6 | Very low | 198 Ų | 198 | 119.2 Ų | 119.2 | 86% | 0.861 | 60% | 0.604 | S | S | * | * | trans | -81.5 | 89.7 | -164 | -65.6 | 173.2 | -179.1 | 169.1 | 0 | 113.3 | ||||
| 627 | K | 45.5 | Very low | 50.8 | Low | 121 Ų | 121 | 114.3 Ų | 114.3 | 53% | 0.526 | 58% | 0.582 | S | S | . | * | trans | -69.1 | 132.8 | 146.5 | -78.1 | -155.1 | 176.9 | -162.6 | 0 | 109.6 | E625 H629 D677 | E625-K627 PolarHBondContact O-N 3.17Å; E625-K627 VanDerWaalsContact O-N 3.09Å; K627-H629 VanDerWaalsContact C-N 3.26Å; K627-H629 PolarHBondContact O-N 3.38Å; K627-D677 WeakPolarHBondContact CE-OD2 3.45Å; K627-D677 IonicContact NZ-OD2 3.35Å; K627-D677 PolarHBondContact NZ-OD2 2.94Å | ||
| 628 | L | 48.9 | Very low | 53.3 | Low | 151 Ų | 151 | 107.1 Ų | 107.1 | 79% | 0.791 | 55% | 0.554 | S | S | * | * | trans | -85 | 58.5 | -175.9 | -80.5 | 166.7 | 0 | 0 | 0 | 112.4 | M630 | L628-M630 PolarHBondContact O-N 3.25Å; L628-M630 VanDerWaalsContact O-N 3.13Å | ||
| 629 | H | 55.9 | Low | 55.5 | Low | 71 Ų | 71 | 105.1 Ų | 105.1 | 33% | 0.329 | 54% | 0.54 | S | S | . | . | trans | -65.6 | 110.7 | 175.8 | -66.3 | -23.9 | 0 | 0 | 0 | 111.1 | K627 Q631 Y673 D675 | K627-H629 VanDerWaalsContact C-N 3.26Å; K627-H629 PolarHBondContact O-N 3.38Å; H629-Q631 PolarHBondContact O-N 3.16Å; H629-Y673 HydrophobicContact CB-CD2 3.83Å; H629-Y673 HydrophobicContact CB-CG 4.33Å; H629-Y673 AromaticContact CG-CD2 3.86Å; H629-D675 IonicContact CE1-OD1 3.89Å; H629-D675 IonicContact ND1-OD1 3.87Å | ||
| 630 | M | 66.1 | Low | 57.4 | Low | 88 Ų | 88 | 98.1 Ų | 98.1 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 105.4 | -173.3 | -164.5 | 180 | 77.5 | 0 | 0 | 110.2 | L628 V632 Y673 V674 | L628-M630 PolarHBondContact O-N 3.25Å; L628-M630 VanDerWaalsContact O-N 3.13Å; M630-V632 HydrophobicContact CE-CG1 3.88Å; M630-V632 PolarHBondContact O-N 3.01Å; M630-Y673 WeakPolarHBondContact O-CA 3.3Å; M630-V674 HydrophobicContact CB-CB 4.48Å; M630-V674 HydrophobicContact CE-CG2 4.37Å; M630-V674 PolarHBondContact N-O 3.29Å; M630-V674 PolarHBondContact O-N 3.4Å |
| 631 | Q | 74.3 | Confident | 59.6 | Low | 91 Ų | 91 | 91.5 Ų | 91.5 | 43% | 0.425 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 127.8 | 178.3 | -71.9 | -169.6 | 13.9 | 0 | 0 | 111.8 | R612 H629 G672 | R612-Q631 HydrophobicContact CB-CB 4.05Å; R612-Q631 PolarHBondContact N-O 2.96Å; H629-Q631 PolarHBondContact O-N 3.16Å; Q631-G672 WeakPolarHBondContact CA-O 3.38Å |
| 632 | V | 78.1 | Confident | 61.4 | Low | 2 Ų | 2 | 89.3 Ų | 89.3 | 1% | 0.012 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 152.7 | -176.9 | -73.5 | 0 | 0 | 0 | 0 | 111.8 | L609 S610 M630 G672 V674 V681 | L609-V632 HydrophobicContact CB-CB 4.23Å; L609-V632 HydrophobicContact CB-CG1 4.15Å; L609-V632 HydrophobicContact CD1-CB 4.5Å; L609-V632 HydrophobicContact CD1-CG1 4.29Å; L609-V632 HydrophobicContact CD1-CG2 4.39Å; L609-V632 HydrophobicContact CD2-CB 4.31Å; L609-V632 HydrophobicContact CD2-CG2 4.21Å; S610-V632 CarbonylContact O-C 3.51Å; S610-V632 WeakPolarHBondContact O-CA 3.42Å; M630-V632 HydrophobicContact CE-CG1 3.88Å; M630-V632 PolarHBondContact O-N 3.01Å; V632-G672 PolarHBondContact N-O 2.93Å; V632-G672 PolarHBondContact O-N 3.42Å; V632-G672 VanDerWaalsContact O-O 3.09Å; V632-V674 HydrophobicContact CG1-CG2 4.01Å; V632-V674 HydrophobicContact CG2-CG2 4Å; V632-V681 HydrophobicContact CG2-CG1 4.07Å |
| 633 | V | 80.4 | Confident | 62.9 | Low | 35 Ų | 35 | 85.6 Ų | 85.6 | 21% | 0.212 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 139.7 | 177.3 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | S610 N635 Q671 | S610-V633 PolarHBondContact N-O 3.3Å; S610-V633 PolarHBondContact O-N 3.04Å; S610-V633 PolarHBondContact OG-O 3.31Å; V633-N635 PolarHBondContact O-N 3.11Å; V633-Q671 HydrophobicContact CG2-CG 4.43Å |
| 634 | L | 81.2 | Confident | 64.3 | Low | 2 Ų | 2 | 83.5 Ų | 83.5 | 1% | 0.01 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 112.1 | -178.3 | -168.6 | 74.3 | 0 | 0 | 0 | 111.6 | K636 R638 L666 G669 T670 W683 | L634-K636 VanDerWaalsContact CD2-O 3.24Å; L634-K636 WeakPolarHBondContact CD2-O 3.24Å; L634-K636 WeakPolarHBondContact CG-O 3.46Å; L634-K636 PolarHBondContact O-N 3.4Å; L634-R638 HydrophobicContact CD2-CB 4.13Å; L634-L666 HydrophobicContact CD2-CB 3.57Å; L634-L666 HydrophobicContact CD2-CD1 4.16Å; L634-G669 PolarHBondContact O-N 3.44Å; L634-T670 PolarHBondContact N-O 2.99Å; L634-W683 HydrophobicContact CB-CH2 3.68Å; L634-W683 HydrophobicContact CB-CZ2 4.46Å; L634-W683 HydrophobicContact CB-CZ3 3.81Å; L634-W683 HydrophobicContact CD1-CH2 3.66Å; L634-W683 HydrophobicContact CD1-CZ2 3.69Å; L634-W683 HydrophobicContact CG-CH2 4.22Å |
| 635 | N | 78.8 | Confident | 65.2 | Low | 84 Ų | 84 | 80.8 Ų | 80.8 | 45% | 0.449 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -78.7 | -13.4 | -173.1 | -62.1 | -32.3 | 0 | 0 | 0 | 114.9 | H608 L609 S610 V633 | H608-N635 WeakPolarHBondContact O-CB 3.34Å; H608-N635 PolarHBondContact O-N 3.26Å; H608-N635 PolarHBondContact O-ND2 3.4Å; H608-N635 VanDerWaalsContact O-ND2 3.16Å; L609-N635 PolarHBondContact O-ND2 3.26Å; S610-N635 WeakPolarHBondContact CB-OD1 3.29Å; S610-N635 PolarHBondContact N-ND2 3.34Å; S610-N635 PolarHBondContact OG-OD1 3.32Å; V633-N635 PolarHBondContact O-N 3.11Å |
| 636 | K | 78 | Confident | 65.9 | Low | 132 Ų | 132 | 80.7 Ų | 80.7 | 57% | 0.574 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -146.4 | 144.4 | 178.8 | -71.2 | -172 | 178.4 | -178.4 | 0 | 109.3 | L634 | L634-K636 VanDerWaalsContact CD2-O 3.24Å; L634-K636 WeakPolarHBondContact CD2-O 3.24Å; L634-K636 WeakPolarHBondContact CG-O 3.46Å; L634-K636 PolarHBondContact O-N 3.4Å |
| 637 | P | 77.2 | Confident | 66.6 | Low | 62 Ų | 62 | 75.6 Ų | 75.6 | 40% | 0.403 | 39% | 0.39 | S | S | . | . | trans | -63.2 | 149.2 | 178.6 | 29.9 | -35.7 | 0 | 0 | 0 | 111.6 | Y665 L666 | P637-Y665 HydrophobicContact CB-CE1 3.65Å; P637-Y665 WeakPolarHBondContact CB-OH 3.45Å; P637-L666 CarbonylContact C-O 3.5Å; P637-L666 WeakPolarHBondContact CA-O 3.38Å; P637-L666 WeakPolarHBondContact CB-O 3.33Å | ||
| 638 | R | 77.6 | Confident | 66.7 | Low | 59 Ų | 59 | 71.9 Ų | 71.9 | 22% | 0.223 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 122.7 | -172.8 | -177.9 | 176.7 | 176.4 | 108.3 | -6.4 | 110.4 | E599 L634 L666 | E599-R638 IonicContact OE1-CZ 2.73Å; E599-R638 IonicContact OE1-NE 2.96Å; E599-R638 PolarHBondContact OE1-NE 3.02Å; E599-R638 IonicContact OE1-NH2 2.64Å; E599-R638 PolarHBondContact OE1-NH2 3.38Å; E599-R638 IonicContact OE2-NE 2.67Å; E599-R638 PolarHBondContact OE2-NE 2.87Å; L634-R638 HydrophobicContact CD2-CB 4.13Å; R638-L666 PolarHBondContact N-O 2.99Å; R638-L666 WeakPolarHBondContact O-CB 3.39Å; R638-L666 PolarHBondContact O-N 3.27Å |
| 639 | T | 75.2 | Confident | 66.3 | Low | 73 Ų | 73 | 69.3 Ų | 69.3 | 45% | 0.448 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 123.9 | 162.9 | 45.4 | 0 | 0 | 0 | 0 | 109 | T642 Y665 | T639-T642 HydrophobicContact CG2-CG2 4.13Å; T639-Y665 HydrophobicContact CG2-CD2 3.56Å; T639-Y665 HydrophobicContact CG2-CE2 4.06Å |
| 640 | V | 71.8 | Confident | 65.7 | Low | 42 Ų | 42 | 70.7 Ų | 70.7 | 26% | 0.255 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -94.7 | -36.8 | 175.1 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | L597 E599 V664 L666 | L597-V640 HydrophobicContact CD2-CB 4.48Å; L597-V640 HydrophobicContact CD2-CG1 4.18Å; L597-V640 HydrophobicContact CD2-CG2 4.24Å; E599-V640 HydrophobicContact CG-CG1 4.47Å; V640-V664 PolarHBondContact N-O 2.84Å; V640-L666 HydrophobicContact CG2-CD1 3.6Å; V640-L666 HydrophobicContact CG2-CG 3.82Å |
| 641 | M | 72.1 | Confident | 64.4 | Low | 12 Ų | 12 | 70.1 Ų | 70.1 | 6% | 0.059 | 40% | 0.401 | C | S | . | . | trans | -117.4 | 132.4 | 175.5 | -66.3 | 177.3 | 177 | 0 | 0 | 109.8 | P555 G663 V664 V692 N695 | P555-M641 HydrophobicContact CB-CE 4.21Å; P555-M641 HydrophobicContact CG-CE 3.51Å; M641-G663 VanDerWaalsContact O-CA 3.26Å; M641-G663 WeakPolarHBondContact O-CA 3.47Å; M641-V664 HydrophobicContact SD-CG2 4.03Å; M641-V692 HydrophobicContact CE-CG1 4.26Å; M641-V692 HydrophobicContact CE-CG2 4.15Å; M641-V692 HydrophobicContact SD-CG2 4.48Å; M641-N695 HydrophobicContact CB-CB 4.37Å; M641-N695 WeakPolarHBondContact CB-OD1 3.37Å; M641-N695 HydrophobicContact CG-CB 4.22Å; M641-N695 HydrophobicContact SD-CB 3.82Å | ||
| 642 | T | 66.3 | Low | 62.5 | Low | 81 Ų | 81 | 70.6 Ų | 70.6 | 50% | 0.497 | 42% | 0.42 | S | S | . | . | trans | -140.8 | 104.9 | -179 | 56.7 | 0 | 0 | 0 | 0 | 111 | T639 | T639-T642 HydrophobicContact CG2-CG2 4.13Š| ||
| 643 | V | 60.5 | Low | 60.8 | Low | 25 Ų | 25 | 75.7 Ų | 75.7 | 15% | 0.152 | 46% | 0.456 | C | S | . | . | trans | -90.8 | 128.1 | 171.9 | -168.7 | 0 | 0 | 0 | 0 | 109.1 | S645 F661 Y698 | V643-S645 PolarHBondContact O-N 3.35Å; V643-F661 HydrophobicContact CB-CB 4.03Å; V643-F661 HydrophobicContact CB-CD1 4.43Å; V643-F661 HydrophobicContact CG1-CB 3.94Å; V643-F661 HydrophobicContact CG1-CD1 3.76Å; V643-F661 HydrophobicContact CG1-CG 4.06Å; V643-F661 HydrophobicContact CG2-CB 4.07Å; V643-F661 HydrophobicContact CG2-CD1 4.1Å; V643-Y698 HydrophobicContact CB-CD1 4.45Å; V643-Y698 HydrophobicContact CB-CG 4.48Å; V643-Y698 HydrophobicContact CG1-CD1 4.15Å; V643-Y698 HydrophobicContact CG1-CD2 3.77Å; V643-Y698 HydrophobicContact CG1-CE2 4.22Å; V643-Y698 HydrophobicContact CG1-CG 3.74Å; V643-Y698 HydrophobicContact CG2-CD1 4.4Å; V643-Y698 HydrophobicContact CG2-CG 4.49Å | ||
| 644 | N | 58.7 | Low | 59 | Low | 95 Ų | 95 | 78.6 Ų | 78.6 | 51% | 0.508 | 47% | 0.47 | S | S | . | . | trans | -81.3 | 97.3 | 174.5 | -88.7 | -50.8 | 0 | 0 | 0 | 110.8 | K646 I647 | N644-K646 PolarHBondContact O-N 3.49Å; N644-I647 PolarHBondContact O-N 3.34Å; N644-I647 VanDerWaalsContact O-N 3.15Å | ||
| 645 | S | 52.9 | Low | 57.2 | Low | 92 Ų | 92 | 83.2 Ų | 83.2 | 64% | 0.643 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -1.9 | 174.7 | 57.1 | 0 | 0 | 0 | 0 | 115.7 | V643 | V643-S645 PolarHBondContact O-N 3.35Š|
| 646 | K | 49.6 | Very low | 55.7 | Low | 178 Ų | 178 | 87.8 Ų | 87.8 | 77% | 0.774 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -11.6 | 173.7 | -66.4 | -171.6 | 176.7 | -177.9 | 0 | 114.4 | N644 | N644-K646 PolarHBondContact O-N 3.49Š|
| 647 | I | 50.3 | Low | 54 | Low | 91 Ų | 91 | 93 Ų | 93 | 47% | 0.467 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -91.4 | -31.1 | 178.7 | -60.6 | -178.7 | 0 | 0 | 0 | 110.6 | N644 Y698 | N644-I647 PolarHBondContact O-N 3.34Å; N644-I647 VanDerWaalsContact O-N 3.15Å; I647-Y698 HydrophobicContact CD1-CE2 4.23Å |
| 648 | T | 47.9 | Very low | 52.8 | Low | 44 Ų | 44 | 92.8 Ų | 92.8 | 27% | 0.27 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -89.4 | 7.1 | -178.8 | 52.7 | 0 | 0 | 0 | 0 | 114.7 | A650 Y777 | T648-A650 PolarHBondContact O-N 3.48Å; T648-Y777 HydrophobicContact CG2-CE1 4.24Å |
| 649 | S | 38.7 | Very low | 52.1 | Low | 97 Ų | 97 | 94.4 Ų | 94.4 | 68% | 0.678 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 48.6 | -166.9 | 69.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 650 | A | 43.4 | Very low | 51.7 | Low | 99 Ų | 99 | 91.3 Ų | 91.3 | 82% | 0.818 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -31.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | T648 | T648-A650 PolarHBondContact O-N 3.48Š|
| 651 | S | 39.8 | Very low | 51.3 | Low | 77 Ų | 77 | 91 Ų | 91 | 54% | 0.538 | 52% | 0.519 | S | S | . | . | trans | -102.8 | 72.5 | -175.7 | 43.9 | 0 | 0 | 0 | 0 | 112.5 | S653 | S651-S653 VanDerWaalsContact C-N 3.28Å; S651-S653 PolarHBondContact O-N 3.36Å | ||
| 652 | A | 33.9 | Very low | 51 | Low | 101 Ų | 101 | 93.1 Ų | 93.1 | 84% | 0.835 | 54% | 0.535 | S | S | * | . | trans | -77.9 | 58.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 653 | S | 43.2 | Very low | 51.2 | Low | 109 Ų | 109 | 91.2 Ų | 91.2 | 76% | 0.762 | 53% | 0.531 | S | S | * | . | trans | -171.5 | 72.6 | 165.9 | 37.9 | 0 | 0 | 0 | 0 | 115.2 | S651 | S651-S653 VanDerWaalsContact C-N 3.28Å; S651-S653 PolarHBondContact O-N 3.36Å | ||
| 654 | L | 41.5 | Very low | 52 | Low | 96 Ų | 96 | 90.4 Ų | 90.4 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | trans | -134.9 | 146.9 | 157.4 | -90.5 | 104 | 0 | 0 | 0 | 111.6 | ||||
| 655 | P | 43.1 | Very low | 53 | Low | 99 Ų | 99 | 92.5 Ų | 92.5 | 64% | 0.643 | 53% | 0.528 | S | S | * | . | trans | -73.4 | 144.1 | -179.4 | 30.3 | -34.9 | 0 | 0 | 0 | 112.2 | R657 | P655-R657 PolarHBondContact O-N 3.45Š| ||
| 656 | E | 47.9 | Very low | 54.4 | Low | 180 Ų | 180 | 88.1 Ų | 88.1 | 84% | 0.841 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -60.7 | -6.4 | -166.5 | -58.9 | 177.4 | 124.2 | 0 | 0 | 116.6 | ||
| 657 | R | 43.2 | Very low | 55.9 | Low | 242 Ų | 242 | 82 Ų | 82 | 91% | 0.913 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -77 | -17.9 | -172.8 | -78.8 | -173.6 | 169.6 | -176.4 | -3.7 | 115.9 | P655 | P655-R657 PolarHBondContact O-N 3.45Š|
| 658 | N | 52 | Low | 57.1 | Low | 56 Ų | 56 | 81.4 Ų | 81.4 | 30% | 0.299 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -112.7 | 11.3 | -173.1 | -69.8 | -4.6 | 0 | 0 | 0 | 114.1 | I660 | N658-I660 PolarHBondContact O-N 2.91Š|
| 659 | N | 61.8 | Low | 58.7 | Low | 94 Ų | 94 | 81.4 Ų | 81.4 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | trans | -71.9 | 99.6 | -174.3 | -89.1 | -27.8 | 0 | 0 | 0 | 113 | F661 S662 | N659-F661 PolarHBondContact O-N 3.41Å; N659-S662 PolarHBondContact O-N 3.33Å; N659-S662 VanDerWaalsContact O-N 3.17Å; N659-S662 PolarHBondContact O-OG 2.93Å | ||
| 660 | I | 66.9 | Low | 60.8 | Low | 7 Ų | 7 | 77.7 Ų | 77.7 | 4% | 0.036 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -26.4 | 172.8 | -48.8 | -174.9 | 0 | 0 | 0 | 112 | N658 S662 W690 Q770 I773 | N658-I660 PolarHBondContact O-N 2.91Å; I660-S662 PolarHBondContact O-N 2.93Å; I660-W690 HydrophobicContact CG2-CB 4.39Å; I660-W690 WeakPolarHBondContact CG2-O 3.49Å; I660-Q770 HydrophobicContact CD1-CB 4.21Å; I660-Q770 VanDerWaalsContact CD1-O 3.32Å; I660-Q770 WeakPolarHBondContact CD1-O 3.3Å; I660-I773 HydrophobicContact CD1-CB 3.89Å; I660-I773 HydrophobicContact CD1-CG2 3.75Å; I660-I773 HydrophobicContact CG1-CG2 4.45Å |
| 661 | F | 64.9 | Low | 62.7 | Low | 36 Ų | 36 | 77.4 Ų | 77.4 | 16% | 0.158 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 11.3 | -178.2 | -58.2 | -66.3 | 0 | 0 | 0 | 116 | V643 N659 G663 G694 Y777 | V643-F661 HydrophobicContact CB-CB 4.03Å; V643-F661 HydrophobicContact CB-CD1 4.43Å; V643-F661 HydrophobicContact CG1-CB 3.94Å; V643-F661 HydrophobicContact CG1-CD1 3.76Å; V643-F661 HydrophobicContact CG1-CG 4.06Å; V643-F661 HydrophobicContact CG2-CB 4.07Å; V643-F661 HydrophobicContact CG2-CD1 4.1Å; N659-F661 PolarHBondContact O-N 3.41Å; F661-G663 PolarHBondContact O-N 3.32Å; F661-G694 WeakPolarHBondContact CD1-O 3.36Å; F661-G694 WeakPolarHBondContact CE1-O 3.15Å; F661-Y777 AromaticContact CE2-CD2 3.97Å; F661-Y777 HydrophobicContact CE2-CD2 3.97Å; F661-Y777 HydrophobicContact CE2-CE1 4.32Å; F661-Y777 AromaticContact CE2-CE2 3.42Å; F661-Y777 HydrophobicContact CE2-CE2 3.42Å; F661-Y777 VanDerWaalsContact CE2-CE2 3.42Å; F661-Y777 AromaticContact CE2-CZ 3.63Å; F661-Y777 HydrophobicContact CZ-CD1 4.32Å; F661-Y777 AromaticContact CZ-CD2 3.68Å; F661-Y777 HydrophobicContact CZ-CD2 3.68Å; F661-Y777 HydrophobicContact CZ-CE1 4.28Å; F661-Y777 AromaticContact CZ-CE2 3.64Å; F661-Y777 HydrophobicContact CZ-CE2 3.64Å; F661-Y777 HydrophobicContact CZ-CG 4.05Å; F661-Y777 AromaticContact CZ-CZ 3.96Å |
| 662 | S | 65.6 | Low | 64.8 | Low | 56 Ų | 56 | 74 Ų | 74 | 39% | 0.392 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 119.4 | 170.3 | 32.6 | 0 | 0 | 0 | 0 | 111.5 | N659 I660 H691 | N659-S662 PolarHBondContact O-N 3.33Å; N659-S662 VanDerWaalsContact O-N 3.17Å; N659-S662 PolarHBondContact O-OG 2.93Å; I660-S662 PolarHBondContact O-N 2.93Å; S662-H691 PolarHBondContact O-CD2 3.39Å; S662-H691 PolarHBondContact OG-CD2 2.93Å; S662-H691 PolarHBondContact OG-NE2 2.89Å |
| 663 | G | 69.7 | Low | 67.2 | Low | 41 Ų | 41 | 69.8 Ų | 69.8 | 42% | 0.423 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 148.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | M641 F661 | M641-G663 VanDerWaalsContact O-CA 3.26Å; M641-G663 WeakPolarHBondContact O-CA 3.47Å; F661-G663 PolarHBondContact O-N 3.32Å |
| 664 | V | 78.2 | Confident | 68.8 | Low | 9 Ų | 9 | 65 Ų | 65 | 6% | 0.055 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 126.6 | -179.4 | -172.3 | 0 | 0 | 0 | 0 | 111.4 | L597 V640 M641 Y687 H691 | L597-V664 HydrophobicContact CD1-CB 4.32Å; L597-V664 HydrophobicContact CD1-CG1 3.68Å; V640-V664 PolarHBondContact N-O 2.84Å; M641-V664 HydrophobicContact SD-CG2 4.03Å; V664-Y687 HydrophobicContact CG2-CD2 4.11Å; V664-H691 HydrophobicContact CG2-CB 3.99Å |
| 665 | Y | 79.7 | Confident | 70.4 | Confident | 138 Ų | 138 | 61.1 Ų | 61.1 | 54% | 0.541 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 114.8 | -175 | -169.8 | -79.6 | 0 | 0 | 0 | 111.2 | P637 T639 | P637-Y665 HydrophobicContact CB-CE1 3.65Å; P637-Y665 WeakPolarHBondContact CB-OH 3.45Å; T639-Y665 HydrophobicContact CG2-CD2 3.56Å; T639-Y665 HydrophobicContact CG2-CE2 4.06Å |
| 666 | L | 81.4 | Confident | 71.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 126.7 | 171.9 | -54.7 | -179.3 | 0 | 0 | 0 | 110 | L634 P637 R638 V640 T670 W683 I685 | L634-L666 HydrophobicContact CD2-CB 3.57Å; L634-L666 HydrophobicContact CD2-CD1 4.16Å; P637-L666 CarbonylContact C-O 3.5Å; P637-L666 WeakPolarHBondContact CA-O 3.38Å; P637-L666 WeakPolarHBondContact CB-O 3.33Å; R638-L666 PolarHBondContact N-O 2.99Å; R638-L666 WeakPolarHBondContact O-CB 3.39Å; R638-L666 PolarHBondContact O-N 3.27Å; V640-L666 HydrophobicContact CG2-CD1 3.6Å; V640-L666 HydrophobicContact CG2-CG 3.82Å; L666-T670 HydrophobicContact CD2-CG2 4.47Å; L666-W683 HydrophobicContact CD1-CD2 4.04Å; L666-W683 HydrophobicContact CD1-CG 3.84Å; L666-W683 HydrophobicContact CD2-CB 4.46Å; L666-I685 HydrophobicContact CD2-CB 4.48Å; L666-I685 HydrophobicContact CD2-CD1 3.75Å; L666-I685 HydrophobicContact CD2-CG2 3.91Å |
| 667 | A | 80.1 | Confident | 72.3 | Confident | 51 Ų | 51 | 58.8 Ų | 58.8 | 42% | 0.421 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -78 | 153.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G669 T670 | A667-G669 PolarHBondContact O-N 3.5Å; A667-T670 PolarHBondContact O-N 3.43Å; A667-T670 PolarHBondContact O-OG1 2.81Å; A667-T670 VanDerWaalsContact O-OG1 3.07Å |
| 668 | S | 77.1 | Confident | 73.3 | Confident | 78 Ų | 78 | 48.1 Ų | 48.1 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 127.4 | 166.9 | 48.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 669 | G | 80.5 | Confident | 74.3 | Confident | 44 Ų | 44 | 46.6 Ų | 46.6 | 45% | 0.454 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.6 | -5.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | L634 A667 Q671 | L634-G669 PolarHBondContact O-N 3.44Å; A667-G669 PolarHBondContact O-N 3.5Å; G669-Q671 PolarHBondContact O-N 3.19Å |
| 670 | T | 83.6 | Confident | 74.9 | Confident | 19 Ų | 19 | 42.8 Ų | 42.8 | 12% | 0.117 | 26% | 0.255 | C | S | . | . | trans | -56.3 | 134 | 169.5 | -61.5 | 0 | 0 | 0 | 0 | 110.1 | L634 L666 A667 W683 | L634-T670 PolarHBondContact N-O 2.99Å; L666-T670 HydrophobicContact CD2-CG2 4.47Å; A667-T670 PolarHBondContact O-N 3.43Å; A667-T670 PolarHBondContact O-OG1 2.81Å; A667-T670 VanDerWaalsContact O-OG1 3.07Å; T670-W683 HydrophobicContact CG2-CB 4.34Å; T670-W683 HydrophobicContact CG2-CE3 4.01Å | ||
| 671 | Q | 83.7 | Confident | 75.6 | Confident | 93 Ų | 93 | 42.4 Ų | 42.4 | 44% | 0.435 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 145.9 | -178.2 | -63.4 | 178.8 | 39.9 | 0 | 0 | 110.1 | V633 G669 R684 | V633-Q671 HydrophobicContact CG2-CG 4.43Å; G669-Q671 PolarHBondContact O-N 3.19Å; Q671-R684 PolarHBondContact O-N 3.1Å |
| 672 | G | 82.7 | Confident | 76.5 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | -173 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q631 V632 V682 | Q631-G672 WeakPolarHBondContact CA-O 3.38Å; V632-G672 PolarHBondContact N-O 2.93Å; V632-G672 PolarHBondContact O-N 3.42Å; V632-G672 VanDerWaalsContact O-O 3.09Å; G672-V682 CarbonylContact C-O 3.51Å; G672-V682 WeakPolarHBondContact CA-O 3.1Å |
| 673 | Y | 85.1 | Confident | 77.4 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 5% | 0.051 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 152.3 | 170.4 | 56.3 | -77.9 | 0 | 0 | 0 | 110.2 | E552 H629 M630 V681 V682 | E552-Y673 VanDerWaalsContact CG-OH 3.25Å; E552-Y673 WeakPolarHBondContact CG-OH 3.26Å; E552-Y673 PolarHBondContact OE1-OH 2.77Å; E552-Y673 PolarHBondContact OE2-OH 2.89Å; H629-Y673 HydrophobicContact CB-CD2 3.83Å; H629-Y673 HydrophobicContact CB-CG 4.33Å; H629-Y673 AromaticContact CG-CD2 3.86Å; M630-Y673 WeakPolarHBondContact O-CA 3.3Å; Y673-V681 WeakPolarHBondContact O-CA 3.14Å; Y673-V682 HydrophobicContact CD1-CB 4.25Å; Y673-V682 HydrophobicContact CE1-CB 3.7Å; Y673-V682 HydrophobicContact CE1-CG1 3.91Å; Y673-V682 HydrophobicContact CE1-CG2 4.49Å; Y673-V682 HydrophobicContact CE2-CB 4.05Å; Y673-V682 HydrophobicContact CE2-CG2 3.97Å; Y673-V682 PolarHBondContact N-O 3.25Å; Y673-V682 PolarHBondContact O-N 3.48Å |
| 674 | V | 76.7 | Confident | 78.1 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 123.6 | 172 | -171.1 | 0 | 0 | 0 | 0 | 108.5 | L601 L609 M630 V632 Q676 L680 V681 | L601-V674 HydrophobicContact CD2-CG1 3.93Å; L609-V674 HydrophobicContact CD1-CG2 4.38Å; M630-V674 HydrophobicContact CB-CB 4.48Å; M630-V674 HydrophobicContact CE-CG2 4.37Å; M630-V674 PolarHBondContact N-O 3.29Å; M630-V674 PolarHBondContact O-N 3.4Å; V632-V674 HydrophobicContact CG1-CG2 4.01Å; V632-V674 HydrophobicContact CG2-CG2 4Å; V674-Q676 HydrophobicContact CG1-CG 4.38Å; V674-L680 WeakPolarHBondContact CA-O 3.26Å; V674-V681 HydrophobicContact CG2-CG2 4.28Å |
| 675 | D | 74.3 | Confident | 78.4 | Confident | 15 Ų | 15 | 44.1 Ų | 44.1 | 8% | 0.08 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 117.2 | 161 | -172.3 | 12.5 | 0 | 0 | 0 | 109.5 | H629 D677 L678 G679 L680 | H629-D675 IonicContact CE1-OD1 3.89Å; H629-D675 IonicContact ND1-OD1 3.87Å; D675-D677 PolarHBondContact OD1-N 3.49Å; D675-D677 VanDerWaalsContact OD1-N 3.13Å; D675-L678 WeakPolarHBondContact OD2-CD1 3.19Å; D675-L678 WeakPolarHBondContact OD2-CG 3.45Å; D675-G679 WeakPolarHBondContact O-CA 3.28Å; D675-G679 PolarHBondContact O-N 3.44Å; D675-L680 PolarHBondContact N-O 2.9Å; D675-L680 PolarHBondContact O-N 2.71Å |
| 676 | Q | 68.5 | Low | 78.5 | Confident | 135 Ų | 135 | 44.1 Ų | 44.1 | 63% | 0.631 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -22.5 | -177.3 | -63.1 | -175.4 | 1 | 0 | 0 | 112 | V674 | V674-Q676 HydrophobicContact CG1-CG 4.38Š|
| 677 | D | 62.3 | Low | 78.7 | Confident | 94 Ų | 94 | 44.9 Ų | 44.9 | 50% | 0.503 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -30.8 | -179.7 | -62 | -17.1 | 0 | 0 | 0 | 111.4 | P478 K627 D675 | P478-D677 WeakPolarHBondContact CG-O 3.41Å; K627-D677 WeakPolarHBondContact CE-OD2 3.45Å; K627-D677 IonicContact NZ-OD2 3.35Å; K627-D677 PolarHBondContact NZ-OD2 2.94Å; D675-D677 PolarHBondContact OD1-N 3.49Å; D675-D677 VanDerWaalsContact OD1-N 3.13Å |
| 678 | L | 65.4 | Low | 79 | Confident | 18 Ų | 18 | 43.4 Ų | 43.4 | 9% | 0.094 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -14.6 | 179.3 | -58.9 | 178.9 | 0 | 0 | 0 | 114 | W471 F484 D675 L680 | W471-L678 HydrophobicContact CD2-CD1 4.48Å; W471-L678 HydrophobicContact CD2-CD2 3.65Å; W471-L678 HydrophobicContact CE3-CD2 3.97Å; W471-L678 HydrophobicContact CG-CD2 3.9Å; W471-L678 HydrophobicContact CZ2-CD1 4.03Å; W471-L678 HydrophobicContact CZ2-CD2 4.33Å; W471-L678 HydrophobicContact CZ3-CD2 4.42Å; F484-L678 WeakPolarHBondContact CZ-O 3.43Å; D675-L678 WeakPolarHBondContact OD2-CD1 3.19Å; D675-L678 WeakPolarHBondContact OD2-CG 3.45Å; L678-L680 VanDerWaalsContact C-N 3.32Å; L678-L680 HydrophobicContact CB-CB 4.41Å; L678-L680 HydrophobicContact CB-CD1 3.92Å; L678-L680 HydrophobicContact CB-CG 3.94Å; L678-L680 HydrophobicContact CD1-CD1 4.14Å |
| 679 | G | 72.3 | Confident | 79.4 | Confident | 24 Ų | 24 | 39.8 Ų | 39.8 | 25% | 0.247 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 26 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | L601 D675 | L601-G679 VanDerWaalsContact CB-O 3.25Å; L601-G679 WeakPolarHBondContact CB-O 3.45Å; L601-G679 PolarHBondContact N-O 2.86Å; D675-G679 WeakPolarHBondContact O-CA 3.28Å; D675-G679 PolarHBondContact O-N 3.44Å |
| 680 | L | 75.2 | Confident | 79.6 | Confident | 14 Ų | 14 | 38.4 Ų | 38.4 | 7% | 0.073 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 154.4 | -175.3 | -64.8 | 177.1 | 0 | 0 | 0 | 111.8 | A598 V674 D675 L678 | A598-L680 HydrophobicContact CB-CD1 4.39Å; V674-L680 WeakPolarHBondContact CA-O 3.26Å; D675-L680 PolarHBondContact N-O 2.9Å; D675-L680 PolarHBondContact O-N 2.71Å; L678-L680 VanDerWaalsContact C-N 3.32Å; L678-L680 HydrophobicContact CB-CB 4.41Å; L678-L680 HydrophobicContact CB-CD1 3.92Å; L678-L680 HydrophobicContact CB-CG 3.94Å; L678-L680 HydrophobicContact CD1-CD1 4.14Å |
| 681 | V | 81.2 | Confident | 79.6 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 119.5 | 163.7 | -173.8 | 0 | 0 | 0 | 0 | 107.9 | E599 L601 L605 L609 V632 Y673 V674 W683 | E599-V681 PolarHBondContact N-O 3.14Å; E599-V681 PolarHBondContact O-N 2.84Å; L601-V681 HydrophobicContact CB-CG2 4.23Å; L601-V681 HydrophobicContact CD1-CG2 3.55Å; L601-V681 HydrophobicContact CG-CG2 4.47Å; L605-V681 HydrophobicContact CD2-CB 4Å; L605-V681 HydrophobicContact CD2-CG2 3.61Å; L609-V681 HydrophobicContact CD1-CG2 4.34Å; V632-V681 HydrophobicContact CG2-CG1 4.07Å; Y673-V681 WeakPolarHBondContact O-CA 3.14Å; V674-V681 HydrophobicContact CG2-CG2 4.28Å; V681-W683 HydrophobicContact CG1-CD2 4.21Å; V681-W683 HydrophobicContact CG1-CH2 4.2Å; V681-W683 HydrophobicContact CG1-CZ2 3.74Å |
| 682 | V | 83 | Confident | 79.5 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 111.6 | -179.1 | -171.7 | 0 | 0 | 0 | 0 | 108.8 | E552 Y596 G672 Y673 | E552-V682 VanDerWaalsContact O-CG2 3.29Å; E552-V682 WeakPolarHBondContact O-CG2 3.45Å; Y596-V682 HydrophobicContact CG-CG1 4.24Å; G672-V682 CarbonylContact C-O 3.51Å; G672-V682 WeakPolarHBondContact CA-O 3.1Å; Y673-V682 HydrophobicContact CD1-CB 4.25Å; Y673-V682 HydrophobicContact CE1-CB 3.7Å; Y673-V682 HydrophobicContact CE1-CG1 3.91Å; Y673-V682 HydrophobicContact CE1-CG2 4.49Å; Y673-V682 HydrophobicContact CE2-CB 4.05Å; Y673-V682 HydrophobicContact CE2-CG2 3.97Å; Y673-V682 PolarHBondContact N-O 3.25Å; Y673-V682 PolarHBondContact O-N 3.48Å |
| 683 | W | 84.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 137.1 | 179.2 | -64.1 | 113.1 | 0 | 0 | 0 | 111.3 | Y596 L597 E599 L605 L609 L634 L666 T670 V681 | Y596-W683 CarbonylContact C-O 3.49Å; Y596-W683 VanDerWaalsContact CA-O 3.3Å; Y596-W683 WeakPolarHBondContact CA-O 3.38Å; L597-W683 HydrophobicContact CB-CB 4.43Å; L597-W683 PolarHBondContact N-O 3.27Å; L597-W683 WeakPolarHBondContact O-CB 3.44Å; L597-W683 PolarHBondContact O-N 2.88Å; E599-W683 PolarHBondContact OE2-NE1 3.03Å; L605-W683 HydrophobicContact CD1-CZ2 4.2Å; L609-W683 HydrophobicContact CD2-CH2 3.43Å; L609-W683 VanDerWaalsContact CD2-CH2 3.43Å; L609-W683 HydrophobicContact CD2-CZ2 3.69Å; L634-W683 HydrophobicContact CB-CH2 3.68Å; L634-W683 HydrophobicContact CB-CZ2 4.46Å; L634-W683 HydrophobicContact CB-CZ3 3.81Å; L634-W683 HydrophobicContact CD1-CH2 3.66Å; L634-W683 HydrophobicContact CD1-CZ2 3.69Å; L634-W683 HydrophobicContact CG-CH2 4.22Å; L666-W683 HydrophobicContact CD1-CD2 4.04Å; L666-W683 HydrophobicContact CD1-CG 3.84Å; L666-W683 HydrophobicContact CD2-CB 4.46Å; T670-W683 HydrophobicContact CG2-CB 4.34Å; T670-W683 HydrophobicContact CG2-CE3 4.01Å; V681-W683 HydrophobicContact CG1-CD2 4.21Å; V681-W683 HydrophobicContact CG1-CH2 4.2Å; V681-W683 HydrophobicContact CG1-CZ2 3.74Å |
| 684 | R | 84.1 | Confident | 79.5 | Confident | 139 Ų | 139 | 34.7 Ų | 34.7 | 53% | 0.525 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 100.8 | 174.6 | -61.3 | -171.9 | 170.7 | -164.9 | -7.4 | 109.6 | Y596 Q671 | Y596-R684 HydrophobicContact CD1-CG 3.99Å; Y596-R684 HydrophobicContact CE1-CG 3.96Å; Q671-R684 PolarHBondContact O-N 3.1Å |
| 685 | I | 84.5 | Confident | 79.8 | Confident | 36 Ų | 36 | 35.1 Ų | 35.1 | 19% | 0.185 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 136.1 | -178.6 | -174.3 | 170.4 | 0 | 0 | 0 | 109.2 | P595 L597 L666 Y687 | P595-I685 CarbonylContact C-O 3.58Å; P595-I685 VanDerWaalsContact C-O 3.29Å; P595-I685 PolarHBondContact O-N 3.47Å; P595-I685 VanDerWaalsContact O-N 3.15Å; L597-I685 HydrophobicContact CB-CG2 3.91Å; L597-I685 HydrophobicContact CD1-CG2 4.49Å; L666-I685 HydrophobicContact CD2-CB 4.48Å; L666-I685 HydrophobicContact CD2-CD1 3.75Å; L666-I685 HydrophobicContact CD2-CG2 3.91Å; I685-Y687 HydrophobicContact CG2-CD1 4.32Å |
| 686 | E | 82.3 | Confident | 80.2 | Confident | 138 Ų | 138 | 34.9 Ų | 34.9 | 65% | 0.645 | 17% | 0.17 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 130.8 | 172.3 | -72.5 | 176.2 | -138 | 0 | 0 | 111.2 | H593 V594 | H593-E686 IonicContact CE1-OE2 2.75Å; H593-E686 IonicContact CG-OE2 3.81Å; H593-E686 IonicContact ND1-OE2 3.17Å; H593-E686 PolarHBondContact ND1-OE2 2.71Å; V594-E686 WeakPolarHBondContact O-CA 3.33Å |
| 687 | Y | 86.4 | Confident | 80.9 | Confident | 15 Ų | 15 | 28.7 Ų | 28.7 | 6% | 0.059 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 156.6 | 173.6 | 67.1 | -73.3 | 0 | 0 | 0 | 111.5 | F554 N592 V594 Y596 L597 V664 I685 V692 | F554-Y687 WeakPolarHBondContact CD1-OH 3.33Å; F554-Y687 HydrophobicContact CE1-CE2 4.41Å; F554-Y687 WeakPolarHBondContact CE1-OH 3.41Å; N592-Y687 CarbonylContact O-C 3.56Å; N592-Y687 VanDerWaalsContact O-C 3.31Å; V594-Y687 HydrophobicContact CB-CD1 4.15Å; V594-Y687 HydrophobicContact CB-CE1 3.82Å; V594-Y687 HydrophobicContact CB-CE2 4.38Å; V594-Y687 WeakPolarHBondContact CB-O 3.36Å; V594-Y687 HydrophobicContact CG1-CE1 3.76Å; V594-Y687 PolarHBondContact N-O 3.1Å; V594-Y687 WeakPolarHBondContact O-CD1 3.41Å; V594-Y687 PolarHBondContact O-N 3.16Å; V594-Y687 VanDerWaalsContact O-N 3.16Å; Y596-Y687 WeakPolarHBondContact O-CE1 3.49Å; Y596-Y687 PolarHBondContact O-OH 3.13Å; L597-Y687 HydrophobicContact CB-CE1 3.72Å; L597-Y687 HydrophobicContact CD1-CD1 4.32Å; L597-Y687 HydrophobicContact CD1-CE1 3.95Å; L597-Y687 HydrophobicContact CD1-CE2 4.36Å; L597-Y687 HydrophobicContact CG-CE1 4.28Å; V664-Y687 HydrophobicContact CG2-CD2 4.11Å; I685-Y687 HydrophobicContact CG2-CD1 4.32Å; Y687-V692 HydrophobicContact CE2-CG2 3.67Å |
| 688 | S | 84.8 | Confident | 81.9 | Confident | 21 Ų | 21 | 25.4 Ų | 25.4 | 15% | 0.147 | 12% | 0.122 | C | C | . | . | trans | -81.1 | 141.7 | 175.1 | 180 | 0 | 0 | 0 | 0 | 112.2 | I591 N592 W690 H691 | I591-S688 WeakPolarHBondContact O-CA 3.29Å; I591-S688 PolarHBondContact O-OG 3.19Å; N592-S688 VanDerWaalsContact O-CA 3.3Å; N592-S688 WeakPolarHBondContact O-CA 3.48Å; N592-S688 PolarHBondContact O-N 3.04Å; S688-W690 PolarHBondContact O-N 3.02Å; S688-H691 PolarHBondContact O-N 3.39Å; S688-H691 PolarHBondContact O-ND1 3.31Å | ||
| 689 | L | 86.2 | Confident | 82.7 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -36.1 | 176.3 | -164.5 | 80 | 0 | 0 | 0 | 113.2 | F554 L561 I591 V594 H691 V692 I693 F757 | F554-L689 HydrophobicContact CE1-CD1 3.75Å; F554-L689 HydrophobicContact CE2-CD1 4.13Å; F554-L689 HydrophobicContact CZ-CD1 3.33Å; F554-L689 HydrophobicContact CZ-CG 4.48Å; L561-L689 HydrophobicContact CD2-CD1 4.07Å; L561-L689 HydrophobicContact CD2-CD2 3.87Å; L561-L689 HydrophobicContact CD2-CG 4.41Å; I591-L689 HydrophobicContact CG1-CD2 4.16Å; I591-L689 HydrophobicContact CG2-CB 4.26Å; I591-L689 WeakPolarHBondContact O-CB 3.36Å; I591-L689 PolarHBondContact O-N 3.32Å; V594-L689 HydrophobicContact CG2-CB 4.3Å; V594-L689 HydrophobicContact CG2-CD1 4.08Å; L689-H691 PolarHBondContact O-N 2.93Å; L689-H691 VanDerWaalsContact O-N 3.14Å; L689-V692 VanDerWaalsContact O-CB 3.31Å; L689-V692 WeakPolarHBondContact O-CB 3.41Å; L689-V692 PolarHBondContact O-N 2.99Å; L689-I693 PolarHBondContact O-N 3.49Å; L689-F757 HydrophobicContact CD2-CD1 4.35Å; L689-F757 HydrophobicContact CD2-CE1 3.49Å; L689-F757 VanDerWaalsContact CD2-CE1 3.49Å; L689-F757 HydrophobicContact CD2-CE2 4.14Å; L689-F757 HydrophobicContact CD2-CZ 3.36Å |
| 690 | W | 84.4 | Confident | 83.2 | Confident | 15 Ų | 15 | 26.1 Ų | 26.1 | 6% | 0.057 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.2 | -33.6 | -175.4 | -68.6 | 108.4 | 0 | 0 | 0 | 113.2 | I660 S688 V692 I693 G694 Y767 Q770 | I660-W690 HydrophobicContact CG2-CB 4.39Å; I660-W690 WeakPolarHBondContact CG2-O 3.49Å; S688-W690 PolarHBondContact O-N 3.02Å; W690-V692 VanDerWaalsContact C-N 3.26Å; W690-V692 PolarHBondContact O-N 3.41Å; W690-I693 HydrophobicContact CE3-CD1 3.81Å; W690-I693 HydrophobicContact CE3-CG1 4.48Å; W690-I693 HydrophobicContact CH2-CD1 4.49Å; W690-I693 HydrophobicContact CZ3-CD1 3.81Å; W690-I693 WeakPolarHBondContact O-CB 3.47Å; W690-I693 PolarHBondContact O-N 3.35Å; W690-I693 VanDerWaalsContact O-N 3.15Å; W690-G694 PolarHBondContact O-N 3.45Å; W690-Y767 HydrophobicContact CZ2-CD2 4.01Å; W690-Y767 HydrophobicContact CZ2-CG 4.07Å; W690-Y767 AromaticContact NE1-CD2 3.74Å; W690-Y767 AromaticContact NE1-CG 3.8Å; W690-Q770 HydrophobicContact CD2-CB 3.82Å; W690-Q770 HydrophobicContact CD2-CG 4.26Å; W690-Q770 HydrophobicContact CE3-CB 3.73Å; W690-Q770 HydrophobicContact CH2-CB 4.08Å; W690-Q770 HydrophobicContact CZ2-CB 4.14Å; W690-Q770 HydrophobicContact CZ3-CB 3.86Å |
| 691 | H | 83.6 | Confident | 83.5 | Confident | 48 Ų | 48 | 27 Ų | 27 | 22% | 0.222 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.6 | -33.5 | 175.3 | -54.4 | 118 | 0 | 0 | 0 | 113.3 | S662 V664 S688 L689 N695 | S662-H691 PolarHBondContact O-CD2 3.39Å; S662-H691 PolarHBondContact OG-CD2 2.93Å; S662-H691 PolarHBondContact OG-NE2 2.89Å; V664-H691 HydrophobicContact CG2-CB 3.99Å; S688-H691 PolarHBondContact O-N 3.39Å; S688-H691 PolarHBondContact O-ND1 3.31Å; L689-H691 PolarHBondContact O-N 2.93Å; L689-H691 VanDerWaalsContact O-N 3.14Å; H691-N695 WeakPolarHBondContact O-CB 3.44Å; H691-N695 PolarHBondContact O-N 3.29Å; H691-N695 VanDerWaalsContact O-N 3.1Å |
| 692 | V | 82.3 | Confident | 83.6 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.7 | -42.4 | 176.2 | -172.5 | 0 | 0 | 0 | 0 | 110.3 | F554 P555 M641 Y687 L689 W690 G694 N695 E696 | F554-V692 HydrophobicContact CE1-CG2 3.86Å; F554-V692 HydrophobicContact CZ-CB 4.21Å; F554-V692 HydrophobicContact CZ-CG1 4.04Å; F554-V692 HydrophobicContact CZ-CG2 3.91Å; P555-V692 HydrophobicContact CB-CG1 3.54Å; P555-V692 HydrophobicContact CB-CG2 4.12Å; P555-V692 HydrophobicContact CG-CG1 4.48Å; M641-V692 HydrophobicContact CE-CG1 4.26Å; M641-V692 HydrophobicContact CE-CG2 4.15Å; M641-V692 HydrophobicContact SD-CG2 4.48Å; Y687-V692 HydrophobicContact CE2-CG2 3.67Å; L689-V692 VanDerWaalsContact O-CB 3.31Å; L689-V692 WeakPolarHBondContact O-CB 3.41Å; L689-V692 PolarHBondContact O-N 2.99Å; W690-V692 VanDerWaalsContact C-N 3.26Å; W690-V692 PolarHBondContact O-N 3.41Å; V692-G694 PolarHBondContact O-N 3.46Å; V692-N695 PolarHBondContact O-N 3.45Å; V692-N695 VanDerWaalsContact O-N 3.16Å; V692-E696 HydrophobicContact CG1-CG 4.43Å; V692-E696 PolarHBondContact O-N 3.49Å |
| 693 | I | 84.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.8 | -47.1 | 178.9 | -49.7 | -162.5 | 0 | 0 | 0 | 110 | L689 W690 N695 E696 I697 L754 F757 I758 | L689-I693 PolarHBondContact O-N 3.49Å; W690-I693 HydrophobicContact CE3-CD1 3.81Å; W690-I693 HydrophobicContact CE3-CG1 4.48Å; W690-I693 HydrophobicContact CH2-CD1 4.49Å; W690-I693 HydrophobicContact CZ3-CD1 3.81Å; W690-I693 WeakPolarHBondContact O-CB 3.47Å; W690-I693 PolarHBondContact O-N 3.35Å; W690-I693 VanDerWaalsContact O-N 3.15Å; I693-N695 VanDerWaalsContact C-N 3.33Å; I693-N695 PolarHBondContact O-N 3.36Å; I693-E696 PolarHBondContact O-N 3.4Å; I693-I697 HydrophobicContact CG2-CD1 4Å; I693-I697 WeakPolarHBondContact O-CB 3.44Å; I693-I697 VanDerWaalsContact O-CG1 3.28Å; I693-I697 WeakPolarHBondContact O-CG1 2.92Å; I693-I697 PolarHBondContact O-N 3.42Å; I693-L754 HydrophobicContact CB-CD2 4.28Å; I693-L754 HydrophobicContact CD1-CD2 3.98Å; I693-L754 HydrophobicContact CG1-CD2 3.71Å; I693-L754 HydrophobicContact CG2-CD2 4.2Å; I693-F757 HydrophobicContact CD1-CD1 4.13Å; I693-F757 HydrophobicContact CD1-CE1 4.05Å; I693-I758 HydrophobicContact CG2-CD1 4.49Å |
| 694 | G | 81.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.4 | -37.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F661 W690 V692 Y698 | F661-G694 WeakPolarHBondContact CD1-O 3.36Å; F661-G694 WeakPolarHBondContact CE1-O 3.15Å; W690-G694 PolarHBondContact O-N 3.45Å; V692-G694 PolarHBondContact O-N 3.46Å; G694-Y698 WeakPolarHBondContact O-CB 3.44Å; G694-Y698 PolarHBondContact O-N 2.89Å; G694-Y698 VanDerWaalsContact O-N 3.12Å |
| 695 | N | 83.4 | Confident | 83.2 | Confident | 18 Ų | 18 | 24.7 Ų | 24.7 | 10% | 0.096 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.2 | -41.7 | 177.7 | -174.8 | 84.6 | 0 | 0 | 0 | 112.8 | M641 H691 V692 I693 Y698 L699 | M641-N695 HydrophobicContact CB-CB 4.37Å; M641-N695 WeakPolarHBondContact CB-OD1 3.37Å; M641-N695 HydrophobicContact CG-CB 4.22Å; M641-N695 HydrophobicContact SD-CB 3.82Å; H691-N695 WeakPolarHBondContact O-CB 3.44Å; H691-N695 PolarHBondContact O-N 3.29Å; H691-N695 VanDerWaalsContact O-N 3.1Å; V692-N695 PolarHBondContact O-N 3.45Å; V692-N695 VanDerWaalsContact O-N 3.16Å; I693-N695 VanDerWaalsContact C-N 3.33Å; I693-N695 PolarHBondContact O-N 3.36Å; N695-Y698 PolarHBondContact O-N 2.9Å; N695-L699 WeakPolarHBondContact ND2-CD1 3.3Å; N695-L699 WeakPolarHBondContact O-CG 3.28Å; N695-L699 PolarHBondContact O-N 3.04Å |
| 696 | E | 83.2 | Confident | 83 | Confident | 10 Ų | 10 | 25.8 Ų | 25.8 | 5% | 0.047 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.3 | -40.6 | 176.6 | -72 | -66.8 | 150.8 | 0 | 0 | 112.2 | V692 I693 Y698 L699 A700 R747 R750 L754 | V692-E696 HydrophobicContact CG1-CG 4.43Å; V692-E696 PolarHBondContact O-N 3.49Å; I693-E696 PolarHBondContact O-N 3.4Å; E696-Y698 VanDerWaalsContact C-N 3.32Å; E696-Y698 PolarHBondContact O-N 3.43Å; E696-L699 PolarHBondContact O-N 2.93Å; E696-A700 WeakPolarHBondContact O-CB 3.41Å; E696-A700 PolarHBondContact O-N 3.49Å; E696-R747 IonicContact OE1-NH1 3.39Å; E696-R747 PolarHBondContact OE1-NH1 3.1Å; E696-R747 IonicContact OE2-CZ 3.75Å; E696-R747 IonicContact OE2-NH1 3.97Å; E696-R747 PolarHBondContact OE2-NH1 2.72Å; E696-R750 VanDerWaalsContact CD-NE 3.33Å; E696-R750 IonicContact OE1-CZ 2.77Å; E696-R750 IonicContact OE1-NE 2.7Å; E696-R750 PolarHBondContact OE1-NE 3.33Å; E696-R750 IonicContact OE1-NH2 3.73Å; E696-R750 PolarHBondContact OE1-NH2 2.88Å; E696-R750 IonicContact OE2-CZ 3.17Å; E696-R750 IonicContact OE2-NE 2.7Å; E696-R750 PolarHBondContact OE2-NE 2.93Å; E696-R750 IonicContact OE2-NH2 2.76Å; E696-L754 HydrophobicContact CB-CD1 3.76Å; E696-L754 HydrophobicContact CG-CD1 4.22Å |
| 697 | I | 82.8 | Confident | 82.7 | Confident | 5 Ų | 5 | 19.6 Ų | 19.6 | 3% | 0.026 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.3 | -46.4 | 172.1 | -70.8 | 169.9 | 0 | 0 | 0 | 110.6 | I693 A700 E701 L751 Y777 I778 I781 | I693-I697 HydrophobicContact CG2-CD1 4Å; I693-I697 WeakPolarHBondContact O-CB 3.44Å; I693-I697 VanDerWaalsContact O-CG1 3.28Å; I693-I697 WeakPolarHBondContact O-CG1 2.92Å; I693-I697 PolarHBondContact O-N 3.42Å; I697-A700 PolarHBondContact O-N 2.87Å; I697-E701 PolarHBondContact O-N 3.46Å; I697-L751 HydrophobicContact CG1-CD2 3.78Å; I697-Y777 HydrophobicContact CG2-CG 4.44Å; I697-I778 HydrophobicContact CD1-CD1 4.09Å; I697-I778 HydrophobicContact CD1-CG1 4.04Å; I697-I778 HydrophobicContact CG1-CD1 4.2Å; I697-I778 HydrophobicContact CG1-CG1 3.97Å; I697-I781 HydrophobicContact CG2-CD1 4.11Å |
| 698 | Y | 82.6 | Confident | 82.2 | Confident | 25 Ų | 25 | 22.1 Ų | 22.1 | 10% | 0.098 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.9 | -39.3 | 177.5 | 175.5 | -112.1 | 0 | 0 | 0 | 113 | V643 I647 G694 N695 E696 E701 L702 | V643-Y698 HydrophobicContact CB-CD1 4.45Å; V643-Y698 HydrophobicContact CB-CG 4.48Å; V643-Y698 HydrophobicContact CG1-CD1 4.15Å; V643-Y698 HydrophobicContact CG1-CD2 3.77Å; V643-Y698 HydrophobicContact CG1-CE2 4.22Å; V643-Y698 HydrophobicContact CG1-CG 3.74Å; V643-Y698 HydrophobicContact CG2-CD1 4.4Å; V643-Y698 HydrophobicContact CG2-CG 4.49Å; I647-Y698 HydrophobicContact CD1-CE2 4.23Å; G694-Y698 WeakPolarHBondContact O-CB 3.44Å; G694-Y698 PolarHBondContact O-N 2.89Å; G694-Y698 VanDerWaalsContact O-N 3.12Å; N695-Y698 PolarHBondContact O-N 2.9Å; E696-Y698 VanDerWaalsContact C-N 3.32Å; E696-Y698 PolarHBondContact O-N 3.43Å; Y698-E701 PolarHBondContact O-N 3Å; Y698-L702 HydrophobicContact CD1-CD1 4.14Å; Y698-L702 HydrophobicContact CE1-CD1 3.59Å; Y698-L702 HydrophobicContact CE1-CG 4.37Å; Y698-L702 HydrophobicContact CE2-CD1 4.35Å; Y698-L702 HydrophobicContact CE2-CG 4.31Å; Y698-L702 WeakPolarHBondContact O-CG 3.13Å; Y698-L702 PolarHBondContact O-N 2.94Å |
| 699 | L | 82.8 | Confident | 82 | Confident | 56 Ų | 56 | 26.7 Ų | 26.7 | 29% | 0.293 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -66.6 | -37.4 | 175 | -72.8 | 174.5 | 0 | 0 | 0 | 112.6 | N695 E696 L702 A703 | N695-L699 WeakPolarHBondContact ND2-CD1 3.3Å; N695-L699 WeakPolarHBondContact O-CG 3.28Å; N695-L699 PolarHBondContact O-N 3.04Å; E696-L699 PolarHBondContact O-N 2.93Å; L699-L702 PolarHBondContact O-N 3.28Å; L699-A703 WeakPolarHBondContact O-CB 3.48Å; L699-A703 PolarHBondContact O-N 2.85Å |
| 700 | A | 83.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.7 | -39.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | E696 I697 A703 L704 R747 L751 I781 | E696-A700 WeakPolarHBondContact O-CB 3.41Å; E696-A700 PolarHBondContact O-N 3.49Å; I697-A700 PolarHBondContact O-N 2.87Å; A700-A703 PolarHBondContact O-N 3.44Å; A700-L704 PolarHBondContact O-N 3.1Å; A700-R747 HydrophobicContact CB-CB 4.07Å; A700-L751 HydrophobicContact CB-CD1 3.55Å; A700-L751 HydrophobicContact CB-CG 4.21Å; A700-I781 HydrophobicContact CB-CD1 4.32Å |
| 701 | E | 82.1 | Confident | 80.7 | Confident | 33 Ų | 33 | 27 Ų | 27 | 15% | 0.154 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 174.2 | -154.3 | -136.6 | 130 | 0 | 0 | 111.7 | I697 Y698 L704 N705 I781 R784 | I697-E701 PolarHBondContact O-N 3.46Å; Y698-E701 PolarHBondContact O-N 3Å; E701-L704 PolarHBondContact O-N 2.87Å; E701-N705 WeakPolarHBondContact O-CB 3.43Å; E701-N705 PolarHBondContact O-N 3.4Å; E701-N705 PolarHBondContact O-ND2 3.41Å; E701-N705 PolarHBondContact OE1-ND2 3.05Å; E701-I781 HydrophobicContact CB-CD1 4.23Å; E701-I781 HydrophobicContact CB-CG1 4.35Å; E701-I781 HydrophobicContact CG-CG1 4.29Å; E701-R784 IonicContact OE1-CZ 2.66Å; E701-R784 IonicContact OE1-NH1 3.57Å; E701-R784 PolarHBondContact OE1-NH1 3.34Å; E701-R784 IonicContact OE1-NH2 2.68Å |
| 702 | L | 82.4 | Confident | 80.1 | Confident | 52 Ų | 52 | 26.7 Ų | 26.7 | 27% | 0.272 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 173.7 | -74.7 | 176.7 | 0 | 0 | 0 | 112 | Y698 L699 L704 N705 D706 | Y698-L702 HydrophobicContact CD1-CD1 4.14Å; Y698-L702 HydrophobicContact CE1-CD1 3.59Å; Y698-L702 HydrophobicContact CE1-CG 4.37Å; Y698-L702 HydrophobicContact CE2-CD1 4.35Å; Y698-L702 HydrophobicContact CE2-CG 4.31Å; Y698-L702 WeakPolarHBondContact O-CG 3.13Å; Y698-L702 PolarHBondContact O-N 2.94Å; L699-L702 PolarHBondContact O-N 3.28Å; L702-L704 PolarHBondContact O-N 3.37Å; L702-N705 WeakPolarHBondContact O-CB 3.49Å; L702-N705 PolarHBondContact O-N 3.13Å; L702-N705 VanDerWaalsContact O-N 3.14Å; L702-D706 PolarHBondContact O-N 3.1Å |
| 703 | A | 81.6 | Confident | 79.5 | Confident | 6 Ų | 6 | 29.4 Ų | 29.4 | 5% | 0.05 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L699 A700 D706 F707 F744 | L699-A703 WeakPolarHBondContact O-CB 3.48Å; L699-A703 PolarHBondContact O-N 2.85Å; A700-A703 PolarHBondContact O-N 3.44Å; A703-D706 PolarHBondContact O-N 3.28Å; A703-F707 VanDerWaalsContact O-CB 3.28Å; A703-F707 WeakPolarHBondContact O-CB 3.49Å; A703-F707 PolarHBondContact O-N 3.16Å; A703-F744 HydrophobicContact CB-CB 4.24Å; A703-F744 HydrophobicContact CB-CD2 4.07Å |
| 704 | L | 80.7 | Confident | 78.5 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 172.8 | 177.9 | 60.7 | 0 | 0 | 0 | 111.9 | A700 E701 L702 D706 H708 F744 I781 R784 Y785 I789 | A700-L704 PolarHBondContact O-N 3.1Å; E701-L704 PolarHBondContact O-N 2.87Å; L702-L704 PolarHBondContact O-N 3.37Å; L704-D706 PolarHBondContact O-N 3.39Å; L704-H708 VanDerWaalsContact O-CB 3.25Å; L704-H708 WeakPolarHBondContact O-CB 3.5Å; L704-H708 PolarHBondContact O-N 3.39Å; L704-F744 HydrophobicContact CB-CD2 4.26Å; L704-F744 HydrophobicContact CB-CE2 3.77Å; L704-F744 HydrophobicContact CB-CZ 4.1Å; L704-F744 HydrophobicContact CD1-CE1 4.05Å; L704-F744 HydrophobicContact CD1-CE2 4.37Å; L704-F744 HydrophobicContact CD1-CZ 3.83Å; L704-F744 HydrophobicContact CG-CZ 4.4Å; L704-I781 HydrophobicContact CD2-CG2 4.18Å; L704-R784 HydrophobicContact CD2-CB 3.93Å; L704-Y785 HydrophobicContact CD1-CD2 4.19Å; L704-I789 HydrophobicContact CD1-CD1 4.48Å |
| 705 | N | 81.9 | Confident | 77.2 | Confident | 31 Ų | 31 | 33.7 Ų | 33.7 | 17% | 0.166 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.1 | -40.6 | 178 | -78.5 | -61.7 | 0 | 0 | 0 | 112.1 | E701 L702 K709 R784 | E701-N705 WeakPolarHBondContact O-CB 3.43Å; E701-N705 PolarHBondContact O-N 3.4Å; E701-N705 PolarHBondContact O-ND2 3.41Å; E701-N705 PolarHBondContact OE1-ND2 3.05Å; L702-N705 WeakPolarHBondContact O-CB 3.49Å; L702-N705 PolarHBondContact O-N 3.13Å; L702-N705 VanDerWaalsContact O-N 3.14Å; N705-K709 WeakPolarHBondContact O-CE 3.48Å; N705-K709 VanDerWaalsContact O-CG 3.22Å; N705-K709 WeakPolarHBondContact O-CG 3.36Å; N705-K709 PolarHBondContact O-N 2.67Å; N705-R784 PolarHBondContact OD1-NH2 3.4Å |
| 706 | D | 80.6 | Confident | 75.9 | Confident | 59 Ų | 59 | 39.3 Ų | 39.3 | 32% | 0.316 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -78.5 | -37.4 | -179.2 | -71 | -26.8 | 0 | 0 | 0 | 112.7 | L702 A703 L704 H708 K709 S710 F740 | L702-D706 PolarHBondContact O-N 3.1Å; A703-D706 PolarHBondContact O-N 3.28Å; L704-D706 PolarHBondContact O-N 3.39Å; D706-H708 PolarHBondContact O-N 2.83Å; D706-K709 PolarHBondContact O-N 2.92Å; D706-K709 WeakPolarHBondContact OD1-CD 3.24Å; D706-K709 WeakPolarHBondContact OD1-CE 3.36Å; D706-K709 IonicContact OD1-NZ 3.18Å; D706-K709 PolarHBondContact OD1-NZ 2.93Å; D706-S710 WeakPolarHBondContact O-CB 3.4Å; D706-S710 PolarHBondContact O-N 3.19Å; D706-F740 HydrophobicContact CB-CD1 4.33Å; D706-F740 HydrophobicContact CB-CE1 4.09Å |
| 707 | F | 76.4 | Confident | 74.5 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.4 | -46.1 | 168.4 | -178.8 | -117 | 0 | 0 | 0 | 111.6 | A703 S710 I711 F740 Y741 F744 I789 | A703-F707 VanDerWaalsContact O-CB 3.28Å; A703-F707 WeakPolarHBondContact O-CB 3.49Å; A703-F707 PolarHBondContact O-N 3.16Å; F707-S710 WeakPolarHBondContact O-CB 3.42Å; F707-S710 PolarHBondContact O-N 3.2Å; F707-I711 HydrophobicContact CD1-CD1 4.11Å; F707-I711 HydrophobicContact CE1-CD1 3.64Å; F707-I711 HydrophobicContact CE2-CD1 4.21Å; F707-I711 HydrophobicContact CZ-CD1 3.7Å; F707-I711 PolarHBondContact O-N 3.2Å; F707-F740 HydrophobicContact CB-CB 4.48Å; F707-F740 HydrophobicContact CD2-CB 4.22Å; F707-Y741 AromaticContact CE2-CD2 3.85Å; F707-Y741 HydrophobicContact CE2-CD2 3.85Å; F707-Y741 HydrophobicContact CE2-CG 4.43Å; F707-Y741 AromaticContact CZ-CD2 3.8Å; F707-Y741 HydrophobicContact CZ-CD2 3.8Å; F707-Y741 HydrophobicContact CZ-CE2 4.5Å; F707-F744 HydrophobicContact CD1-CD1 4.36Å; F707-I789 HydrophobicContact CD1-CD1 4.05Å; F707-I789 HydrophobicContact CE1-CD1 3.88Å |
| 708 | H | 75.3 | Confident | 72.7 | Confident | 69 Ų | 69 | 49.1 Ų | 49.1 | 32% | 0.319 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 175.8 | 173.8 | -100 | 0 | 0 | 0 | 112.8 | L704 D706 S710 I711 A712 I788 | L704-H708 VanDerWaalsContact O-CB 3.25Å; L704-H708 WeakPolarHBondContact O-CB 3.5Å; L704-H708 PolarHBondContact O-N 3.39Å; D706-H708 PolarHBondContact O-N 2.83Å; H708-S710 PolarHBondContact O-N 3.06Å; H708-I711 PolarHBondContact O-N 2.84Å; H708-A712 WeakPolarHBondContact O-CB 3.45Å; H708-A712 PolarHBondContact O-N 3.14Å; H708-I788 VanDerWaalsContact CD2-CG2 3.44Å; H708-I788 WeakPolarHBondContact CD2-CG2 3.44Å; H708-I788 WeakPolarHBondContact NE2-CG2 3.47Å |
| 709 | K | 80.5 | Confident | 71 | Confident | 117 Ų | 117 | 56.2 Ų | 56.2 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57.1 | -40.5 | 173.8 | -71.9 | 163.9 | -153.8 | 163 | 0 | 111.4 | N705 D706 A712 S713 | N705-K709 WeakPolarHBondContact O-CE 3.48Å; N705-K709 VanDerWaalsContact O-CG 3.22Å; N705-K709 WeakPolarHBondContact O-CG 3.36Å; N705-K709 PolarHBondContact O-N 2.67Å; D706-K709 PolarHBondContact O-N 2.92Å; D706-K709 WeakPolarHBondContact OD1-CD 3.24Å; D706-K709 WeakPolarHBondContact OD1-CE 3.36Å; D706-K709 IonicContact OD1-NZ 3.18Å; D706-K709 PolarHBondContact OD1-NZ 2.93Å; K709-A712 PolarHBondContact O-N 2.76Å; K709-S713 VanDerWaalsContact O-CB 3.27Å; K709-S713 WeakPolarHBondContact O-CB 3.49Å; K709-S713 PolarHBondContact O-N 3.39Å; K709-S713 PolarHBondContact O-OG 2.8Å |
| 710 | S | 74.6 | Confident | 69.2 | Low | 13 Ų | 13 | 57.7 Ų | 57.7 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 178.6 | -165 | 0 | 0 | 0 | 0 | 111.7 | D706 F707 H708 S713 S714 Q737 | D706-S710 WeakPolarHBondContact O-CB 3.4Å; D706-S710 PolarHBondContact O-N 3.19Å; F707-S710 WeakPolarHBondContact O-CB 3.42Å; F707-S710 PolarHBondContact O-N 3.2Å; H708-S710 PolarHBondContact O-N 3.06Å; S710-S713 PolarHBondContact O-OG 3.35Å; S710-S714 PolarHBondContact O-N 2.9Å; S710-Q737 VanDerWaalsContact OG-CG 3.25Å; S710-Q737 WeakPolarHBondContact OG-CG 3.34Å |
| 711 | I | 68.7 | Low | 67.4 | Low | 11 Ų | 11 | 64.5 Ų | 64.5 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.8 | -52.1 | 174.3 | -66.4 | 171.3 | 0 | 0 | 0 | 110.9 | F707 H708 S713 S714 M715 I789 | F707-I711 HydrophobicContact CD1-CD1 4.11Å; F707-I711 HydrophobicContact CE1-CD1 3.64Å; F707-I711 HydrophobicContact CE2-CD1 4.21Å; F707-I711 HydrophobicContact CZ-CD1 3.7Å; F707-I711 PolarHBondContact O-N 3.2Å; H708-I711 PolarHBondContact O-N 2.84Å; I711-S713 VanDerWaalsContact C-N 3.33Å; I711-S713 PolarHBondContact O-N 3.27Å; I711-S714 WeakPolarHBondContact O-CA 3.47Å; I711-S714 WeakPolarHBondContact O-CB 3.44Å; I711-S714 PolarHBondContact O-N 3.07Å; I711-S714 PolarHBondContact O-OG 3.4Å; I711-M715 PolarHBondContact O-N 2.8Å; I711-M715 VanDerWaalsContact O-N 3.13Å; I711-I789 HydrophobicContact CD1-CD1 4.21Å; I711-I789 HydrophobicContact CD1-CG2 4.22Å |
| 712 | A | 71 | Confident | 65.8 | Low | 41 Ų | 41 | 69.1 Ų | 69.1 | 34% | 0.339 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.5 | -43.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | H708 K709 S714 M715 D716 | H708-A712 WeakPolarHBondContact O-CB 3.45Å; H708-A712 PolarHBondContact O-N 3.14Å; K709-A712 PolarHBondContact O-N 2.76Å; A712-S714 PolarHBondContact O-N 3.17Å; A712-S714 VanDerWaalsContact O-N 3.12Å; A712-M715 PolarHBondContact O-N 3.49Å; A712-D716 PolarHBondContact O-N 3.03Å |
| 713 | S | 70.5 | Confident | 63.8 | Low | 58 Ų | 58 | 74.6 Ų | 74.6 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.4 | -12 | 176.9 | 78.9 | 0 | 0 | 0 | 0 | 114.7 | K709 S710 I711 | K709-S713 VanDerWaalsContact O-CB 3.27Å; K709-S713 WeakPolarHBondContact O-CB 3.49Å; K709-S713 PolarHBondContact O-N 3.39Å; K709-S713 PolarHBondContact O-OG 2.8Å; S710-S713 PolarHBondContact O-OG 3.35Å; I711-S713 VanDerWaalsContact C-N 3.33Å; I711-S713 PolarHBondContact O-N 3.27Å |
| 714 | S | 62.7 | Low | 61.5 | Low | 20 Ų | 20 | 81.5 Ų | 81.5 | 14% | 0.14 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -92.5 | -32.5 | 171.3 | 78.8 | 0 | 0 | 0 | 0 | 112.4 | S710 I711 A712 D716 K717 Y718 | S710-S714 PolarHBondContact O-N 2.9Å; I711-S714 WeakPolarHBondContact O-CA 3.47Å; I711-S714 WeakPolarHBondContact O-CB 3.44Å; I711-S714 PolarHBondContact O-N 3.07Å; I711-S714 PolarHBondContact O-OG 3.4Å; A712-S714 PolarHBondContact O-N 3.17Å; A712-S714 VanDerWaalsContact O-N 3.12Å; S714-D716 PolarHBondContact O-N 3.22Å; S714-K717 CarbonylContact O-C 3.4Å; S714-K717 WeakPolarHBondContact O-CA 3.29Å; S714-K717 WeakPolarHBondContact O-CB 3.5Å; S714-K717 PolarHBondContact O-N 3.23Å; S714-Y718 WeakPolarHBondContact O-CD2 3.48Å; S714-Y718 PolarHBondContact O-N 3.08Å |
| 715 | M | 55.3 | Low | 59.5 | Low | 71 Ų | 71 | 88.3 Ų | 88.3 | 35% | 0.35 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 177 | -82.5 | -72.3 | 155.1 | 0 | 0 | 112.4 | I711 A712 K717 Y718 E719 Q793 | I711-M715 PolarHBondContact O-N 2.8Å; I711-M715 VanDerWaalsContact O-N 3.13Å; A712-M715 PolarHBondContact O-N 3.49Å; M715-K717 PolarHBondContact O-N 3.31Å; M715-Y718 PolarHBondContact O-N 3.07Å; M715-E719 PolarHBondContact O-N 3.07Å; M715-Q793 VanDerWaalsContact CE-CD 3.48Å; M715-Q793 HydrophobicContact CE-CG 4.08Å |
| 716 | D | 55.9 | Low | 57.4 | Low | 137 Ų | 137 | 91.3 Ų | 91.3 | 73% | 0.733 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -55.5 | -22 | 173.3 | -72.7 | -20 | 0 | 0 | 0 | 113.4 | A712 S714 | A712-D716 PolarHBondContact O-N 3.03Å; S714-D716 PolarHBondContact O-N 3.22Å |
| 717 | K | 52.5 | Low | 55.6 | Low | 123 Ų | 123 | 94.5 Ų | 94.5 | 54% | 0.535 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -99 | -20.5 | 177.1 | -62.1 | 172.9 | -173.9 | 165.2 | 0 | 112.9 | S714 M715 R721 | S714-K717 CarbonylContact O-C 3.4Å; S714-K717 WeakPolarHBondContact O-CA 3.29Å; S714-K717 WeakPolarHBondContact O-CB 3.5Å; S714-K717 PolarHBondContact O-N 3.23Å; M715-K717 PolarHBondContact O-N 3.31Å; K717-R721 WeakPolarHBondContact O-CB 3.03Å; K717-R721 VanDerWaalsContact O-CD 3.28Å; K717-R721 WeakPolarHBondContact O-CD 3.44Å; K717-R721 WeakPolarHBondContact O-CG 3.33Å |
| 718 | Y | 46.1 | Very low | 54.1 | Low | 97 Ų | 97 | 98.7 Ų | 98.7 | 38% | 0.38 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -78.5 | -50 | 179.4 | -99.1 | -72.4 | 0 | 0 | 0 | 111.8 | S714 M715 A720 R721 V722 Y729 | S714-Y718 WeakPolarHBondContact O-CD2 3.48Å; S714-Y718 PolarHBondContact O-N 3.08Å; M715-Y718 PolarHBondContact O-N 3.07Å; Y718-A720 PolarHBondContact O-N 3.12Å; Y718-R721 PolarHBondContact O-N 2.74Å; Y718-V722 PolarHBondContact O-N 2.95Å; Y718-Y729 WeakPolarHBondContact OH-CE1 3.5Å; Y718-Y729 PolarHBondContact OH-OH 3.35Å |
| 719 | E | 46.7 | Very low | 52.9 | Low | 175 Ų | 175 | 100.1 Ų | 100.1 | 82% | 0.818 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -35.2 | 178.8 | -69.1 | -159.1 | 133.1 | 0 | 0 | 111.8 | M715 R721 | M715-E719 PolarHBondContact O-N 3.07Å; E719-R721 VanDerWaalsContact C-N 3.26Å; E719-R721 PolarHBondContact O-N 3.4Å |
| 720 | A | 45.1 | Very low | 51.6 | Low | 87 Ų | 87 | 99.8 Ų | 99.8 | 72% | 0.719 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -7.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y718 | Y718-A720 PolarHBondContact O-N 3.12Š|
| 721 | R | 44.7 | Very low | 50.7 | Low | 143 Ų | 143 | 103.6 Ų | 103.6 | 54% | 0.54 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123.4 | -7.5 | -169.9 | -74.6 | -177.3 | -176.4 | -160.4 | 2 | 116.4 | K717 Y718 E719 L723 L724 | K717-R721 WeakPolarHBondContact O-CB 3.03Å; K717-R721 VanDerWaalsContact O-CD 3.28Å; K717-R721 WeakPolarHBondContact O-CD 3.44Å; K717-R721 WeakPolarHBondContact O-CG 3.33Å; Y718-R721 PolarHBondContact O-N 2.74Å; E719-R721 VanDerWaalsContact C-N 3.26Å; E719-R721 PolarHBondContact O-N 3.4Å; R721-L723 PolarHBondContact O-N 2.91Å; R721-L724 PolarHBondContact O-N 3.04Å |
| 722 | V | 48.5 | Very low | 50.3 | Low | 129 Ų | 129 | 110.2 Ų | 110.2 | 78% | 0.782 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -15.9 | -179.7 | 175.7 | 0 | 0 | 0 | 0 | 113.9 | Y718 | Y718-V722 PolarHBondContact O-N 2.95Š|
| 723 | L | 40.3 | Very low | 49.9 | Very low | 167 Ų | 167 | 110.9 Ų | 110.9 | 87% | 0.874 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -3.1 | -176.1 | -111.4 | 153.8 | 0 | 0 | 0 | 116.5 | R721 | R721-L723 PolarHBondContact O-N 2.91Š|
| 724 | L | 34.4 | Very low | 49.4 | Very low | 151 Ų | 151 | 110 Ų | 110 | 79% | 0.791 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -142.1 | 114.8 | -178.7 | -79.6 | 173.6 | 0 | 0 | 0 | 115.2 | R721 | R721-L724 PolarHBondContact O-N 3.04Š|
| 725 | N | 38.1 | Very low | 49.4 | Very low | 149 Ų | 149 | 114.5 Ų | 114.5 | 80% | 0.797 | 62% | 0.618 | S | S | * | * | trans | 12.7 | 121.8 | 163.3 | -67.9 | -9.2 | 0 | 0 | 0 | 120.6 | T727 | N725-T727 PolarHBondContact O-N 3.46Š| ||
| 726 | A | 37.9 | Very low | 50.1 | Low | 94 Ų | 94 | 115 Ų | 115 | 78% | 0.777 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -79.7 | 64.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 727 | T | 41.9 | Very low | 50.6 | Low | 126 Ų | 126 | 109.7 Ų | 109.7 | 77% | 0.773 | 59% | 0.592 | S | S | * | * | trans | -132.4 | 43.1 | 176.4 | 62 | 0 | 0 | 0 | 0 | 115.2 | N725 | N725-T727 PolarHBondContact O-N 3.46Š| ||
| 728 | S | 45.6 | Very low | 51.1 | Low | 95 Ų | 95 | 104.1 Ų | 104.1 | 66% | 0.664 | 57% | 0.569 | S | S | * | * | trans | -175.5 | 100.4 | 153.6 | 49.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 729 | Y | 49.1 | Very low | 52.2 | Low | 99 Ų | 99 | 104.4 Ų | 104.4 | 39% | 0.388 | 57% | 0.574 | S | S | . | * | trans | -91.6 | 132.7 | 159 | -82.2 | -91 | 0 | 0 | 0 | 108.5 | Y718 S731 L734 H800 | Y718-Y729 WeakPolarHBondContact OH-CE1 3.5Å; Y718-Y729 PolarHBondContact OH-OH 3.35Å; Y729-S731 PolarHBondContact O-N 3.04Å; Y729-S731 VanDerWaalsContact O-N 3.1Å; Y729-L734 HydrophobicContact CD1-CD1 4.15Å; Y729-L734 HydrophobicContact CG-CD1 4.13Å; Y729-H800 AromaticContact CE2-NE2 3.71Å | ||
| 730 | D | 53.7 | Low | 53.5 | Low | 109 Ų | 109 | 98.9 Ų | 98.9 | 58% | 0.583 | 55% | 0.547 | S | S | * | . | trans | -68.4 | 106.7 | 172 | -66 | -53.8 | 0 | 0 | 0 | 108.7 | E732 S733 | D730-E732 PolarHBondContact O-N 3.09Å; D730-E732 VanDerWaalsContact O-N 3.13Å; D730-S733 WeakPolarHBondContact O-CB 3.35Å; D730-S733 PolarHBondContact O-N 3.36Å; D730-S733 PolarHBondContact O-OG 3.12Å | ||
| 731 | S | 56.5 | Low | 54.7 | Low | 93 Ų | 93 | 95.9 Ų | 95.9 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.7 | -30.1 | -173.9 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | Y729 S733 L734 Q735 | Y729-S731 PolarHBondContact O-N 3.04Å; Y729-S731 VanDerWaalsContact O-N 3.1Å; S731-S733 VanDerWaalsContact C-N 3.33Å; S731-S733 PolarHBondContact O-N 3.25Å; S731-L734 PolarHBondContact O-N 3.26Å; S731-Q735 WeakPolarHBondContact O-CB 3.43Å; S731-Q735 PolarHBondContact O-N 3.49Å |
| 732 | E | 59.7 | Low | 55.8 | Low | 150 Ų | 150 | 90.9 Ų | 90.9 | 70% | 0.701 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.7 | -40.4 | 174.3 | -61.8 | -177.6 | 156.5 | 0 | 0 | 111.8 | D730 Q735 I736 | D730-E732 PolarHBondContact O-N 3.09Å; D730-E732 VanDerWaalsContact O-N 3.13Å; E732-Q735 PolarHBondContact O-N 2.88Å; E732-I736 WeakPolarHBondContact O-CB 3.29Å; E732-I736 WeakPolarHBondContact O-CD1 3.4Å; E732-I736 VanDerWaalsContact O-CG1 3.25Å; E732-I736 WeakPolarHBondContact O-CG1 3.3Å; E732-I736 PolarHBondContact O-N 3.45Å |
| 733 | S | 62.8 | Low | 57.2 | Low | 55 Ų | 55 | 88.7 Ų | 88.7 | 39% | 0.385 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.9 | -38.3 | -179.5 | 68.9 | 0 | 0 | 0 | 0 | 112.8 | D730 S731 Q737 | D730-S733 WeakPolarHBondContact O-CB 3.35Å; D730-S733 PolarHBondContact O-N 3.36Å; D730-S733 PolarHBondContact O-OG 3.12Å; S731-S733 VanDerWaalsContact C-N 3.33Å; S731-S733 PolarHBondContact O-N 3.25Å; S733-Q737 WeakPolarHBondContact O-CG 3.4Å; S733-Q737 PolarHBondContact O-N 2.9Å; S733-Q737 VanDerWaalsContact O-N 3.08Å |
| 734 | L | 59.1 | Low | 59 | Low | 39 Ų | 39 | 80.8 Ų | 80.8 | 20% | 0.204 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -71.5 | -35.5 | 173.9 | -77.2 | 165.5 | 0 | 0 | 0 | 111.9 | Y729 S731 Q737 A738 | Y729-L734 HydrophobicContact CD1-CD1 4.15Å; Y729-L734 HydrophobicContact CG-CD1 4.13Å; S731-L734 PolarHBondContact O-N 3.26Å; L734-Q737 PolarHBondContact O-N 3.49Å; L734-A738 WeakPolarHBondContact O-CB 3.46Å; L734-A738 PolarHBondContact O-N 3.09Å |
| 735 | Q | 64.3 | Low | 60.9 | Low | 116 Ų | 116 | 75.7 Ų | 75.7 | 54% | 0.542 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.6 | -44 | 175.3 | -175.6 | 175.7 | -32.7 | 0 | 0 | 111.2 | S731 E732 Q737 A738 E739 | S731-Q735 WeakPolarHBondContact O-CB 3.43Å; S731-Q735 PolarHBondContact O-N 3.49Å; E732-Q735 PolarHBondContact O-N 2.88Å; Q735-Q737 VanDerWaalsContact C-N 3.3Å; Q735-Q737 PolarHBondContact O-N 3.39Å; Q735-A738 WeakPolarHBondContact O-CB 3.45Å; Q735-A738 PolarHBondContact O-N 3.43Å; Q735-A738 VanDerWaalsContact O-N 3.1Å; Q735-E739 HydrophobicContact CG-CG 4.49Å; Q735-E739 WeakPolarHBondContact CG-OE1 3.42Å; Q735-E739 PolarHBondContact NE2-OE1 3.13Å; Q735-E739 WeakPolarHBondContact O-CG 3.44Å; Q735-E739 PolarHBondContact O-N 3.32Å |
| 736 | I | 68.8 | Low | 62.6 | Low | 81 Ų | 81 | 70 Ų | 70 | 42% | 0.415 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 174.1 | -70.1 | 163.8 | 0 | 0 | 0 | 111.1 | E732 E739 F740 | E732-I736 WeakPolarHBondContact O-CB 3.29Å; E732-I736 WeakPolarHBondContact O-CD1 3.4Å; E732-I736 VanDerWaalsContact O-CG1 3.25Å; E732-I736 WeakPolarHBondContact O-CG1 3.3Å; E732-I736 PolarHBondContact O-N 3.45Å; I736-E739 PolarHBondContact O-N 3.27Å; I736-F740 HydrophobicContact CG2-CD2 3.78Å; I736-F740 HydrophobicContact CG2-CE2 3.4Å; I736-F740 HydrophobicContact CG2-CZ 4.32Å; I736-F740 WeakPolarHBondContact O-CD2 3.36Å; I736-F740 PolarHBondContact O-N 3.17Å |
| 737 | Q | 66.3 | Low | 64.7 | Low | 25 Ų | 25 | 66.8 Ų | 66.8 | 12% | 0.117 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 172.4 | -78.4 | 178.7 | -18.1 | 0 | 0 | 112.9 | S710 S733 L734 Q735 Y741 | S710-Q737 VanDerWaalsContact OG-CG 3.25Å; S710-Q737 WeakPolarHBondContact OG-CG 3.34Å; S733-Q737 WeakPolarHBondContact O-CG 3.4Å; S733-Q737 PolarHBondContact O-N 2.9Å; S733-Q737 VanDerWaalsContact O-N 3.08Å; L734-Q737 PolarHBondContact O-N 3.49Å; Q735-Q737 VanDerWaalsContact C-N 3.3Å; Q735-Q737 PolarHBondContact O-N 3.39Å; Q737-Y741 WeakPolarHBondContact O-CB 3.35Å; Q737-Y741 PolarHBondContact O-N 3.48Å |
| 738 | A | 63.8 | Low | 66.4 | Low | 6 Ų | 6 | 60.9 Ų | 60.9 | 5% | 0.05 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.4 | -37.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | L734 Q735 Y741 A742 F801 F810 | L734-A738 WeakPolarHBondContact O-CB 3.46Å; L734-A738 PolarHBondContact O-N 3.09Å; Q735-A738 WeakPolarHBondContact O-CB 3.45Å; Q735-A738 PolarHBondContact O-N 3.43Å; Q735-A738 VanDerWaalsContact O-N 3.1Å; A738-Y741 PolarHBondContact O-N 3.25Å; A738-A742 WeakPolarHBondContact O-CB 3.38Å; A738-A742 PolarHBondContact O-N 3.47Å; A738-F801 HydrophobicContact CB-CE1 3.97Å; A738-F801 HydrophobicContact CB-CZ 3.72Å; A738-F810 HydrophobicContact CB-CE2 3.87Å; A738-F810 HydrophobicContact CB-CZ 3.99Å |
| 739 | E | 69 | Low | 67.8 | Low | 103 Ų | 103 | 58.3 Ų | 58.3 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.9 | -45.6 | 176.5 | -74.4 | 169.5 | -169 | 0 | 0 | 111.1 | Q735 I736 Y741 A742 Q743 | Q735-E739 HydrophobicContact CG-CG 4.49Å; Q735-E739 WeakPolarHBondContact CG-OE1 3.42Å; Q735-E739 PolarHBondContact NE2-OE1 3.13Å; Q735-E739 WeakPolarHBondContact O-CG 3.44Å; Q735-E739 PolarHBondContact O-N 3.32Å; I736-E739 PolarHBondContact O-N 3.27Å; E739-Y741 PolarHBondContact O-N 3.27Å; E739-A742 PolarHBondContact O-N 3.46Å; E739-Q743 WeakPolarHBondContact O-CB 3.46Å; E739-Q743 PolarHBondContact O-N 3.42Å |
| 740 | F | 73.2 | Confident | 69.4 | Low | 59 Ų | 59 | 55.2 Ų | 55.2 | 26% | 0.259 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.8 | -37.4 | 173 | -70.3 | -51.5 | 0 | 0 | 0 | 113.2 | D706 F707 I736 Q743 F744 | D706-F740 HydrophobicContact CB-CD1 4.33Å; D706-F740 HydrophobicContact CB-CE1 4.09Å; F707-F740 HydrophobicContact CB-CB 4.48Å; F707-F740 HydrophobicContact CD2-CB 4.22Å; I736-F740 HydrophobicContact CG2-CD2 3.78Å; I736-F740 HydrophobicContact CG2-CE2 3.4Å; I736-F740 HydrophobicContact CG2-CZ 4.32Å; I736-F740 WeakPolarHBondContact O-CD2 3.36Å; I736-F740 PolarHBondContact O-N 3.17Å; F740-Q743 PolarHBondContact O-N 3.39Å; F740-F744 WeakPolarHBondContact O-CB 3.49Å; F740-F744 PolarHBondContact O-N 2.89Å |
| 741 | Y | 70.9 | Confident | 70.7 | Confident | 25 Ų | 25 | 50.1 Ų | 50.1 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 174.8 | -174.4 | -82.9 | 0 | 0 | 0 | 111.3 | F707 Q737 A738 E739 F744 Y745 V794 V798 S833 I834 | F707-Y741 AromaticContact CE2-CD2 3.85Å; F707-Y741 HydrophobicContact CE2-CD2 3.85Å; F707-Y741 HydrophobicContact CE2-CG 4.43Å; F707-Y741 AromaticContact CZ-CD2 3.8Å; F707-Y741 HydrophobicContact CZ-CD2 3.8Å; F707-Y741 HydrophobicContact CZ-CE2 4.5Å; Q737-Y741 WeakPolarHBondContact O-CB 3.35Å; Q737-Y741 PolarHBondContact O-N 3.48Å; A738-Y741 PolarHBondContact O-N 3.25Å; E739-Y741 PolarHBondContact O-N 3.27Å; Y741-F744 PolarHBondContact O-N 3.12Å; Y741-Y745 WeakPolarHBondContact O-CB 3.35Å; Y741-Y745 PolarHBondContact O-N 3.22Å; Y741-V794 HydrophobicContact CE2-CG1 4.3Å; Y741-V798 HydrophobicContact CE2-CG2 4.48Å; Y741-S833 PolarHBondContact OH-OG 3.09Å; Y741-I834 HydrophobicContact CD1-CD1 4.09Å; Y741-I834 HydrophobicContact CD2-CD1 3.71Å; Y741-I834 HydrophobicContact CE1-CD1 3.83Å; Y741-I834 HydrophobicContact CE1-CG1 3.99Å; Y741-I834 HydrophobicContact CE2-CD1 3.45Å; Y741-I834 VanDerWaalsContact CE2-CD1 3.45Å; Y741-I834 HydrophobicContact CE2-CG1 4.09Å; Y741-I834 HydrophobicContact CG-CD1 4.03Å |
| 742 | A | 68.2 | Low | 71.8 | Confident | 37 Ų | 37 | 46.7 Ų | 46.7 | 31% | 0.306 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.8 | -40.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A738 E739 Y745 T746 | A738-A742 WeakPolarHBondContact O-CB 3.38Å; A738-A742 PolarHBondContact O-N 3.47Å; E739-A742 PolarHBondContact O-N 3.46Å; A742-Y745 PolarHBondContact O-N 3Å; A742-T746 PolarHBondContact O-N 3.47Å; A742-T746 PolarHBondContact O-OG1 3.36Å |
| 743 | Q | 77 | Confident | 72.6 | Confident | 84 Ų | 84 | 40.8 Ų | 40.8 | 39% | 0.393 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.2 | -43 | 176.8 | -170.2 | 179.2 | 24.7 | 0 | 0 | 111.7 | E739 F740 T746 R747 | E739-Q743 WeakPolarHBondContact O-CB 3.46Å; E739-Q743 PolarHBondContact O-N 3.42Å; F740-Q743 PolarHBondContact O-N 3.39Å; Q743-T746 PolarHBondContact O-N 3.4Å; Q743-R747 WeakPolarHBondContact O-CG 3.31Å; Q743-R747 PolarHBondContact O-N 3.29Å; Q743-R747 VanDerWaalsContact O-N 3.16Å |
| 744 | F | 78.3 | Confident | 73.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.6 | -42.4 | 176.3 | -177.3 | -131.2 | 0 | 0 | 0 | 111.9 | A703 L704 F707 F740 Y741 T746 R747 L748 Y785 I834 | A703-F744 HydrophobicContact CB-CB 4.24Å; A703-F744 HydrophobicContact CB-CD2 4.07Å; L704-F744 HydrophobicContact CB-CD2 4.26Å; L704-F744 HydrophobicContact CB-CE2 3.77Å; L704-F744 HydrophobicContact CB-CZ 4.1Å; L704-F744 HydrophobicContact CD1-CE1 4.05Å; L704-F744 HydrophobicContact CD1-CE2 4.37Å; L704-F744 HydrophobicContact CD1-CZ 3.83Å; L704-F744 HydrophobicContact CG-CZ 4.4Å; F707-F744 HydrophobicContact CD1-CD1 4.36Å; F740-F744 WeakPolarHBondContact O-CB 3.49Å; F740-F744 PolarHBondContact O-N 2.89Å; Y741-F744 PolarHBondContact O-N 3.12Å; F744-T746 PolarHBondContact O-N 2.75Å; F744-R747 PolarHBondContact O-N 3.04Å; F744-R747 VanDerWaalsContact O-N 3.15Å; F744-L748 HydrophobicContact CD1-CD1 4.08Å; F744-L748 HydrophobicContact CD2-CD1 4.48Å; F744-L748 HydrophobicContact CD2-CG 4.29Å; F744-L748 HydrophobicContact CE1-CD1 3.71Å; F744-L748 HydrophobicContact CE1-CG 4.39Å; F744-L748 HydrophobicContact CE2-CD1 4.15Å; F744-L748 HydrophobicContact CE2-CD2 4.01Å; F744-L748 HydrophobicContact CE2-CG 3.92Å; F744-L748 HydrophobicContact CG-CD1 4.44Å; F744-L748 HydrophobicContact CZ-CD1 3.74Å; F744-L748 HydrophobicContact CZ-CD2 3.95Å; F744-L748 HydrophobicContact CZ-CG 3.97Å; F744-L748 WeakPolarHBondContact O-CG 3.08Å; F744-L748 PolarHBondContact O-N 3.08Å; F744-Y785 AromaticContact CE1-CD2 3.73Å; F744-Y785 HydrophobicContact CE1-CD2 3.73Å; F744-Y785 HydrophobicContact CE1-CE2 4.04Å; F744-Y785 HydrophobicContact CZ-CD2 4.3Å; F744-I834 HydrophobicContact CD1-CD1 3.98Å; F744-I834 HydrophobicContact CE1-CG2 4.33Å |
| 745 | Y | 74.4 | Confident | 74.5 | Confident | 44 Ų | 44 | 36.4 Ų | 36.4 | 17% | 0.173 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.3 | -45.1 | 174 | -178.2 | -97.6 | 0 | 0 | 0 | 112.4 | Y741 A742 R747 L748 T749 F817 I834 L837 | Y741-Y745 WeakPolarHBondContact O-CB 3.35Å; Y741-Y745 PolarHBondContact O-N 3.22Å; A742-Y745 PolarHBondContact O-N 3Å; Y745-R747 VanDerWaalsContact C-N 3.28Å; Y745-R747 PolarHBondContact O-N 2.92Å; Y745-L748 PolarHBondContact O-N 3.12Å; Y745-L748 VanDerWaalsContact O-N 3.15Å; Y745-T749 HydrophobicContact CD1-CG2 4.39Å; Y745-T749 HydrophobicContact CE1-CG2 3.97Å; Y745-T749 PolarHBondContact O-N 3.33Å; Y745-T749 PolarHBondContact O-OG1 2.84Å; Y745-F817 HydrophobicContact CE1-CE1 4.14Å; Y745-I834 HydrophobicContact CD2-CG1 3.85Å; Y745-I834 HydrophobicContact CG-CG1 4.49Å; Y745-L837 HydrophobicContact CE2-CB 4.25Å; Y745-L837 HydrophobicContact CE2-CD1 4.04Å |
| 746 | T | 74.8 | Confident | 75.1 | Confident | 30 Ų | 30 | 33 Ų | 33 | 18% | 0.184 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.8 | -29.3 | 178.2 | -50.4 | 0 | 0 | 0 | 0 | 112.7 | D485 A742 Q743 F744 T749 R750 | D485-T746 WeakPolarHBondContact O-CG2 3.5Å; D485-T746 PolarHBondContact O-OG1 2.69Å; A742-T746 PolarHBondContact O-N 3.47Å; A742-T746 PolarHBondContact O-OG1 3.36Å; Q743-T746 PolarHBondContact O-N 3.4Å; F744-T746 PolarHBondContact O-N 2.75Å; T746-T749 WeakPolarHBondContact CA-OG1 3.37Å; T746-T749 PolarHBondContact O-OG1 3.47Å; T746-R750 WeakPolarHBondContact O-CD 3.35Å; T746-R750 VanDerWaalsContact O-CG 3.28Å; T746-R750 WeakPolarHBondContact O-CG 3.46Å; T746-R750 PolarHBondContact O-N 3.44Å |
| 747 | R | 81.4 | Confident | 75.9 | Confident | 27 Ų | 27 | 29.1 Ų | 29.1 | 10% | 0.102 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -79 | -30.3 | 174.1 | -63.5 | -68.9 | 159.6 | 177.5 | -3.1 | 112 | D485 E696 A700 Q743 F744 Y745 L751 | D485-R747 IonicContact OD1-NH2 3.09Å; D485-R747 IonicContact OD2-CZ 2.73Å; D485-R747 IonicContact OD2-NE 2.64Å; D485-R747 IonicContact OD2-NH2 3.99Å; D485-R747 PolarHBondContact OD2-NH2 3.4Å; E696-R747 IonicContact OE1-NH1 3.39Å; E696-R747 PolarHBondContact OE1-NH1 3.1Å; E696-R747 IonicContact OE2-CZ 3.75Å; E696-R747 IonicContact OE2-NH1 3.97Å; E696-R747 PolarHBondContact OE2-NH1 2.72Å; A700-R747 HydrophobicContact CB-CB 4.07Å; Q743-R747 WeakPolarHBondContact O-CG 3.31Å; Q743-R747 PolarHBondContact O-N 3.29Å; Q743-R747 VanDerWaalsContact O-N 3.16Å; F744-R747 PolarHBondContact O-N 3.04Å; F744-R747 VanDerWaalsContact O-N 3.15Å; Y745-R747 VanDerWaalsContact C-N 3.28Å; Y745-R747 PolarHBondContact O-N 2.92Å; R747-L751 WeakPolarHBondContact O-CG 3.48Å; R747-L751 PolarHBondContact O-N 2.67Å |
| 748 | L | 77.9 | Confident | 76.7 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69 | -39.5 | 171.7 | -70.1 | 169.9 | 0 | 0 | 0 | 113 | F744 Y745 L751 L752 I834 L837 I838 L842 | F744-L748 HydrophobicContact CD1-CD1 4.08Å; F744-L748 HydrophobicContact CD2-CD1 4.48Å; F744-L748 HydrophobicContact CD2-CG 4.29Å; F744-L748 HydrophobicContact CE1-CD1 3.71Å; F744-L748 HydrophobicContact CE1-CG 4.39Å; F744-L748 HydrophobicContact CE2-CD1 4.15Å; F744-L748 HydrophobicContact CE2-CD2 4.01Å; F744-L748 HydrophobicContact CE2-CG 3.92Å; F744-L748 HydrophobicContact CG-CD1 4.44Å; F744-L748 HydrophobicContact CZ-CD1 3.74Å; F744-L748 HydrophobicContact CZ-CD2 3.95Å; F744-L748 HydrophobicContact CZ-CG 3.97Å; F744-L748 WeakPolarHBondContact O-CG 3.08Å; F744-L748 PolarHBondContact O-N 3.08Å; Y745-L748 PolarHBondContact O-N 3.12Å; Y745-L748 VanDerWaalsContact O-N 3.15Å; L748-L751 PolarHBondContact O-N 3.43Å; L748-L752 PolarHBondContact O-N 3Å; L748-I834 HydrophobicContact CD1-CG2 3.83Å; L748-L837 HydrophobicContact CB-CD2 3.59Å; L748-L837 HydrophobicContact CD1-CD2 4.48Å; L748-I838 HydrophobicContact CD1-CD1 3.97Å; L748-I838 HydrophobicContact CD1-CG1 4.09Å; L748-I838 HydrophobicContact CD2-CG1 4.48Å; L748-L842 HydrophobicContact CB-CD1 4.28Å; L748-L842 HydrophobicContact CD2-CD1 4.03Å |
| 749 | T | 75.5 | Confident | 77.3 | Confident | 41 Ų | 41 | 27.9 Ų | 27.9 | 25% | 0.252 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 174 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | Y745 T746 L751 L752 D753 L837 | Y745-T749 HydrophobicContact CD1-CG2 4.39Å; Y745-T749 HydrophobicContact CE1-CG2 3.97Å; Y745-T749 PolarHBondContact O-N 3.33Å; Y745-T749 PolarHBondContact O-OG1 2.84Å; T746-T749 WeakPolarHBondContact CA-OG1 3.37Å; T746-T749 PolarHBondContact O-OG1 3.47Å; T749-L751 VanDerWaalsContact C-N 3.32Å; T749-L751 PolarHBondContact O-N 3.32Å; T749-L752 WeakPolarHBondContact O-CB 3.28Å; T749-L752 PolarHBondContact O-N 3.01Å; T749-L752 VanDerWaalsContact O-N 3.1Å; T749-D753 PolarHBondContact O-N 3.37Å; T749-L837 HydrophobicContact CG2-CD1 3.63Å |
| 750 | R | 81.3 | Confident | 77.5 | Confident | 33 Ų | 33 | 23.4 Ų | 23.4 | 13% | 0.125 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.1 | -36.7 | 172.5 | -70.7 | 171.9 | 72.6 | 86.2 | -4.6 | 112.8 | P555 Y556 L558 E696 T746 L752 L754 | P555-R750 PolarHBondContact O-NH2 3.22Å; Y556-R750 PolarHBondContact O-NH1 3.45Å; L558-R750 HydrophobicContact CD1-CB 3.74Å; L558-R750 HydrophobicContact CD1-CG 3.89Å; E696-R750 VanDerWaalsContact CD-NE 3.33Å; E696-R750 IonicContact OE1-CZ 2.77Å; E696-R750 IonicContact OE1-NE 2.7Å; E696-R750 PolarHBondContact OE1-NE 3.33Å; E696-R750 IonicContact OE1-NH2 3.73Å; E696-R750 PolarHBondContact OE1-NH2 2.88Å; E696-R750 IonicContact OE2-CZ 3.17Å; E696-R750 IonicContact OE2-NE 2.7Å; E696-R750 PolarHBondContact OE2-NE 2.93Å; E696-R750 IonicContact OE2-NH2 2.76Å; T746-R750 WeakPolarHBondContact O-CD 3.35Å; T746-R750 VanDerWaalsContact O-CG 3.28Å; T746-R750 WeakPolarHBondContact O-CG 3.46Å; T746-R750 PolarHBondContact O-N 3.44Å; R750-L752 VanDerWaalsContact C-N 3.34Å; R750-L754 WeakPolarHBondContact O-CD1 3.24Å; R750-L754 WeakPolarHBondContact O-CG 3.48Å; R750-L754 PolarHBondContact O-N 2.89Å |
| 751 | L | 82.3 | Confident | 77.8 | Confident | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.3 | -30.3 | 173.1 | -77.4 | 179.8 | 0 | 0 | 0 | 113.3 | I697 A700 R747 L748 T749 L754 L755 I778 | I697-L751 HydrophobicContact CG1-CD2 3.78Å; A700-L751 HydrophobicContact CB-CD1 3.55Å; A700-L751 HydrophobicContact CB-CG 4.21Å; R747-L751 WeakPolarHBondContact O-CG 3.48Å; R747-L751 PolarHBondContact O-N 2.67Å; L748-L751 PolarHBondContact O-N 3.43Å; T749-L751 VanDerWaalsContact C-N 3.32Å; T749-L751 PolarHBondContact O-N 3.32Å; L751-L754 HydrophobicContact CD2-CD1 4.15Å; L751-L754 PolarHBondContact O-N 3.44Å; L751-L755 WeakPolarHBondContact O-CB 3.26Å; L751-L755 PolarHBondContact O-N 3.21Å; L751-I778 HydrophobicContact CD2-CD1 4.02Å; L751-I778 HydrophobicContact CD2-CG1 4.15Å |
| 752 | L | 79.3 | Confident | 78 | Confident | 22 Ų | 22 | 19.6 Ų | 19.6 | 12% | 0.115 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.3 | -46.7 | 175.2 | -176.2 | 66.1 | 0 | 0 | 0 | 111.4 | L748 T749 R750 L754 L755 E756 L841 L842 | L748-L752 PolarHBondContact O-N 3Å; T749-L752 WeakPolarHBondContact O-CB 3.28Å; T749-L752 PolarHBondContact O-N 3.01Å; T749-L752 VanDerWaalsContact O-N 3.1Å; R750-L752 VanDerWaalsContact C-N 3.34Å; L752-L754 VanDerWaalsContact C-N 3.27Å; L752-L754 PolarHBondContact O-N 2.93Å; L752-L755 WeakPolarHBondContact O-CA 3.3Å; L752-L755 VanDerWaalsContact O-CB 3.32Å; L752-L755 WeakPolarHBondContact O-CB 3.41Å; L752-L755 PolarHBondContact O-N 3.09Å; L752-E756 PolarHBondContact O-N 3.11Å; L752-E756 VanDerWaalsContact O-N 3.08Å; L752-L841 HydrophobicContact CD1-CB 4.09Å; L752-L841 HydrophobicContact CD2-CB 3.88Å; L752-L841 HydrophobicContact CD2-CD1 3.95Å; L752-L841 HydrophobicContact CD2-CG 4.46Å; L752-L842 HydrophobicContact CD1-CG 4.3Å |
| 753 | D | 75.2 | Confident | 78.1 | Confident | 25 Ų | 25 | 19.9 Ų | 19.9 | 13% | 0.134 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.7 | -39.6 | 174 | -81.9 | -40.5 | 0 | 0 | 0 | 112.2 | R562 T749 F757 | R562-D753 IonicContact CZ-OD1 2.9Å; R562-D753 VanDerWaalsContact CZ-OD1 3.29Å; R562-D753 IonicContact CZ-OD2 3.47Å; R562-D753 IonicContact NE-OD1 2.71Å; R562-D753 PolarHBondContact NE-OD1 2.85Å; R562-D753 IonicContact NE-OD2 2.75Å; R562-D753 IonicContact NH2-OD1 3.79Å; R562-D753 PolarHBondContact NH2-OD1 3.28Å; R562-D753 IonicContact NH2-OD2 3.77Å; R562-D753 PolarHBondContact NH2-OD2 3.45Å; T749-D753 PolarHBondContact O-N 3.37Å; D753-F757 PolarHBondContact O-N 2.94Å |
| 754 | L | 83.8 | Confident | 77.8 | Confident | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.4 | -36.7 | 173.7 | -74.3 | 164.2 | 0 | 0 | 0 | 112.4 | L558 L561 I693 E696 R750 L751 L752 F757 I758 | L558-L754 HydrophobicContact CD1-CG 4.43Å; L561-L754 HydrophobicContact CD1-CD2 3.53Å; L561-L754 HydrophobicContact CD1-CG 4.11Å; I693-L754 HydrophobicContact CB-CD2 4.28Å; I693-L754 HydrophobicContact CD1-CD2 3.98Å; I693-L754 HydrophobicContact CG1-CD2 3.71Å; I693-L754 HydrophobicContact CG2-CD2 4.2Å; E696-L754 HydrophobicContact CB-CD1 3.76Å; E696-L754 HydrophobicContact CG-CD1 4.22Å; R750-L754 WeakPolarHBondContact O-CD1 3.24Å; R750-L754 WeakPolarHBondContact O-CG 3.48Å; R750-L754 PolarHBondContact O-N 2.89Å; L751-L754 HydrophobicContact CD2-CD1 4.15Å; L751-L754 PolarHBondContact O-N 3.44Å; L752-L754 VanDerWaalsContact C-N 3.27Å; L752-L754 PolarHBondContact O-N 2.93Å; L754-F757 PolarHBondContact O-N 3.01Å; L754-I758 VanDerWaalsContact O-CG1 3.29Å; L754-I758 WeakPolarHBondContact O-CG1 3.39Å; L754-I758 PolarHBondContact O-N 2.84Å |
| 755 | L | 79.7 | Confident | 77.5 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.9 | -41.9 | 178.7 | -129.7 | 80.9 | 0 | 0 | 0 | 112.2 | L751 L752 F757 I758 S759 I778 L842 N845 L846 L849 | L751-L755 WeakPolarHBondContact O-CB 3.26Å; L751-L755 PolarHBondContact O-N 3.21Å; L752-L755 WeakPolarHBondContact O-CA 3.3Å; L752-L755 VanDerWaalsContact O-CB 3.32Å; L752-L755 WeakPolarHBondContact O-CB 3.41Å; L752-L755 PolarHBondContact O-N 3.09Å; L755-F757 VanDerWaalsContact C-N 3.34Å; L755-I758 PolarHBondContact O-N 3.11Å; L755-S759 WeakPolarHBondContact O-CB 3.21Å; L755-S759 PolarHBondContact O-N 2.97Å; L755-I778 HydrophobicContact CD1-CB 4.45Å; L755-I778 HydrophobicContact CD1-CD1 3.48Å; L755-I778 VanDerWaalsContact CD1-CD1 3.48Å; L755-I778 HydrophobicContact CD1-CG2 3.96Å; L755-L842 HydrophobicContact CD1-CD2 4.32Å; L755-L842 HydrophobicContact CD2-CD2 4.01Å; L755-N845 HydrophobicContact CD2-CB 3.81Å; L755-L846 HydrophobicContact CD2-CB 3.94Å; L755-L846 HydrophobicContact CD2-CG 4.26Å; L755-L849 HydrophobicContact CB-CD1 4.38Å; L755-L849 HydrophobicContact CD2-CD1 3.63Å; L755-L849 HydrophobicContact CG-CD1 3.5Å; L755-L849 VanDerWaalsContact CG-CD1 3.5Å |
| 756 | E | 76.8 | Confident | 77.5 | Confident | 44 Ų | 44 | 19 Ų | 19 | 21% | 0.206 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.9 | -38.6 | 176 | -67.2 | -169.9 | 175.8 | 0 | 0 | 111.8 | T565 L752 S759 A760 | T565-E756 HydrophobicContact CG2-CB 4.4Å; L752-E756 PolarHBondContact O-N 3.11Å; L752-E756 VanDerWaalsContact O-N 3.08Å; E756-S759 VanDerWaalsContact O-CB 3.3Å; E756-S759 WeakPolarHBondContact O-CB 3.42Å; E756-S759 PolarHBondContact O-N 3.42Å; E756-A760 PolarHBondContact O-N 3.41Å |
| 757 | F | 83.9 | Confident | 77.6 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 173.2 | 172.5 | -98 | 0 | 0 | 0 | 112.7 | L561 Y564 T565 L568 I591 L689 I693 D753 L754 L755 S759 A760 C761 | L561-F757 HydrophobicContact CB-CB 4.38Å; L561-F757 HydrophobicContact CD2-CD1 4.45Å; L561-F757 HydrophobicContact CD2-CD2 4.21Å; L561-F757 HydrophobicContact CD2-CG 4.17Å; Y564-F757 HydrophobicContact CD2-CE2 4.3Å; T565-F757 VanDerWaalsContact OG1-CA 3.28Å; T565-F757 WeakPolarHBondContact OG1-CA 3.2Å; L568-F757 HydrophobicContact CD1-CD2 4.33Å; L568-F757 HydrophobicContact CD1-CE2 3.84Å; I591-F757 HydrophobicContact CD1-CE2 4.15Å; I591-F757 HydrophobicContact CD1-CZ 3.71Å; I591-F757 HydrophobicContact CG1-CE2 4.44Å; I591-F757 HydrophobicContact CG1-CZ 3.91Å; L689-F757 HydrophobicContact CD2-CD1 4.35Å; L689-F757 HydrophobicContact CD2-CE1 3.49Å; L689-F757 VanDerWaalsContact CD2-CE1 3.49Å; L689-F757 HydrophobicContact CD2-CE2 4.14Å; L689-F757 HydrophobicContact CD2-CZ 3.36Å; I693-F757 HydrophobicContact CD1-CD1 4.13Å; I693-F757 HydrophobicContact CD1-CE1 4.05Å; D753-F757 PolarHBondContact O-N 2.94Å; L754-F757 PolarHBondContact O-N 3.01Å; L755-F757 VanDerWaalsContact C-N 3.34Å; F757-S759 VanDerWaalsContact C-N 3.29Å; F757-S759 PolarHBondContact O-N 3.47Å; F757-A760 PolarHBondContact O-N 3.46Å; F757-C761 WeakPolarHBondContact CZ-SG 3.39Å; F757-C761 PolarHBondContact O-N 2.98Å; F757-C761 PolarHBondContact O-SG 2.76Å |
| 758 | I | 83.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63 | -36.8 | 173.2 | -69 | 163.8 | 0 | 0 | 0 | 110.9 | I693 L754 L755 C761 L762 C771 I775 L849 | I693-I758 HydrophobicContact CG2-CD1 4.49Å; L754-I758 VanDerWaalsContact O-CG1 3.29Å; L754-I758 WeakPolarHBondContact O-CG1 3.39Å; L754-I758 PolarHBondContact O-N 2.84Å; L755-I758 PolarHBondContact O-N 3.11Å; I758-C761 PolarHBondContact O-N 2.7Å; I758-L762 HydrophobicContact CG2-CD1 4.18Å; I758-L762 PolarHBondContact O-N 3.04Å; I758-C771 HydrophobicContact CG2-CB 3.84Å; I758-I775 HydrophobicContact CG2-CD1 4.01Å; I758-I775 HydrophobicContact CG2-CG1 4.17Å; I758-L849 HydrophobicContact CG2-CD2 4.15Å |
| 759 | S | 76.4 | Confident | 77.2 | Confident | 5 Ų | 5 | 19.9 Ų | 19.9 | 4% | 0.035 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 175.3 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | S431 M433 L755 E756 F757 L762 K763 L849 | S431-S759 PolarHBondContact OG-OG 2.81Å; M433-S759 VanDerWaalsContact CE-OG 3.25Å; M433-S759 WeakPolarHBondContact CE-OG 3.33Å; M433-S759 PolarHBondContact SD-OG 2.92Å; L755-S759 WeakPolarHBondContact O-CB 3.21Å; L755-S759 PolarHBondContact O-N 2.97Å; E756-S759 VanDerWaalsContact O-CB 3.3Å; E756-S759 WeakPolarHBondContact O-CB 3.42Å; E756-S759 PolarHBondContact O-N 3.42Å; F757-S759 VanDerWaalsContact C-N 3.29Å; F757-S759 PolarHBondContact O-N 3.47Å; S759-L762 PolarHBondContact O-N 2.9Å; S759-K763 WeakPolarHBondContact O-CB 3.46Å; S759-K763 WeakPolarHBondContact O-CG 3.22Å; S759-K763 PolarHBondContact O-N 2.92Å; S759-L849 VanDerWaalsContact CA-CD2 3.48Å |
| 760 | A | 74.8 | Confident | 77.3 | Confident | 9 Ų | 9 | 19.5 Ų | 19.5 | 7% | 0.074 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.8 | -35.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T565 L568 E756 F757 K763 C764 | T565-A760 HydrophobicContact CG2-CB 3.87Å; L568-A760 HydrophobicContact CB-CB 3.77Å; L568-A760 HydrophobicContact CD1-CB 4.26Å; E756-A760 PolarHBondContact O-N 3.41Å; F757-A760 PolarHBondContact O-N 3.46Å; A760-K763 PolarHBondContact O-N 3.01Å; A760-C764 WeakPolarHBondContact O-CB 3.46Å; A760-C764 PolarHBondContact O-N 3.39Å; A760-C764 VanDerWaalsContact O-N 3.09Å; A760-C764 PolarHBondContact O-SG 3.49Å |
| 761 | C | 79.7 | Confident | 77.2 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.8 | -45.7 | 173.8 | -68.9 | 0 | 0 | 0 | 0 | 112 | F757 I758 C764 D765 L766 | F757-C761 WeakPolarHBondContact CZ-SG 3.39Å; F757-C761 PolarHBondContact O-N 2.98Å; F757-C761 PolarHBondContact O-SG 2.76Å; I758-C761 PolarHBondContact O-N 2.7Å; C761-C764 CarbonylContact O-C 3.31Å; C761-C764 PolarHBondContact O-N 3.04Å; C761-D765 PolarHBondContact O-N 3.5Å; C761-L766 HydrophobicContact CB-CB 4.48Å; C761-L766 PolarHBondContact O-N 3.13Å |
| 762 | L | 74.1 | Confident | 76.9 | Confident | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.9 | -38.7 | 176.6 | -75.3 | 173.8 | 0 | 0 | 0 | 112.6 | I758 S759 C764 D765 I768 C771 I775 L849 N856 | I758-L762 HydrophobicContact CG2-CD1 4.18Å; I758-L762 PolarHBondContact O-N 3.04Å; S759-L762 PolarHBondContact O-N 2.9Å; L762-C764 PolarHBondContact O-N 3.29Å; L762-D765 PolarHBondContact O-N 3.41Å; L762-I768 HydrophobicContact CD2-CB 4.33Å; L762-I768 HydrophobicContact CD2-CG1 4.27Å; L762-I768 HydrophobicContact CD2-CG2 3.92Å; L762-C771 HydrophobicContact CD1-CB 4.13Å; L762-C771 HydrophobicContact CD2-CB 3.66Å; L762-C771 HydrophobicContact CG-CB 3.74Å; L762-I775 HydrophobicContact CD1-CD1 3.77Å; L762-L849 HydrophobicContact CD1-CD2 3.77Å; L762-N856 PolarHBondContact O-ND2 2.82Å |
| 763 | K | 69.8 | Low | 76.8 | Confident | 43 Ų | 43 | 18.6 Ų | 18.6 | 19% | 0.187 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.4 | -23.8 | 171.9 | -76.7 | -175.1 | 177.6 | -174.6 | 0 | 112.9 | Q432 M433 E443 P570 S759 A760 | Q432-K763 PolarHBondContact O-NZ 3.18Å; M433-K763 HydrophobicContact CE-CD 4.47Å; M433-K763 HydrophobicContact CE-CG 3.95Å; E443-K763 IonicContact OE1-NZ 2.82Å; E443-K763 IonicContact OE2-NZ 3.36Å; E443-K763 PolarHBondContact OE2-NZ 3.04Å; P570-K763 WeakPolarHBondContact CB-O 3.38Å; S759-K763 WeakPolarHBondContact O-CB 3.46Å; S759-K763 WeakPolarHBondContact O-CG 3.22Å; S759-K763 PolarHBondContact O-N 2.92Å; A760-K763 PolarHBondContact O-N 3.01Å |
| 764 | C | 71.7 | Confident | 77 | Confident | 19 Ų | 19 | 17.5 Ų | 17.5 | 13% | 0.128 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 11.1 | 178.2 | -62.7 | 0 | 0 | 0 | 0 | 114.6 | L568 V569 V584 A760 C761 L762 L766 | L568-C764 PolarHBondContact O-SG 2.95Å; L568-C764 VanDerWaalsContact O-SG 3.33Å; V569-C764 VanDerWaalsContact C-SG 3.55Å; V584-C764 HydrophobicContact CG1-CB 4.36Å; A760-C764 WeakPolarHBondContact O-CB 3.46Å; A760-C764 PolarHBondContact O-N 3.39Å; A760-C764 VanDerWaalsContact O-N 3.09Å; A760-C764 PolarHBondContact O-SG 3.49Å; C761-C764 CarbonylContact O-C 3.31Å; C761-C764 PolarHBondContact O-N 3.04Å; L762-C764 PolarHBondContact O-N 3.29Å; C764-L766 HydrophobicContact CB-CG 4.15Å; C764-L766 PolarHBondContact O-N 3.5Å |
| 765 | D | 71.7 | Confident | 76.7 | Confident | 75 Ų | 75 | 17.4 Ų | 17.4 | 40% | 0.401 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 34 | -176.2 | -62.1 | -38.9 | 0 | 0 | 0 | 114.6 | C761 L762 I768 N856 L860 | C761-D765 PolarHBondContact O-N 3.5Å; L762-D765 PolarHBondContact O-N 3.41Å; D765-I768 HydrophobicContact CB-CD1 4.19Å; D765-N856 PolarHBondContact OD1-ND2 3.33Å; D765-L860 HydrophobicContact CB-CD2 4.18Å |
| 766 | L | 74.1 | Confident | 76.6 | Confident | 14 Ų | 14 | 19.4 Ų | 19.4 | 7% | 0.073 | 10% | 0.099 | C | C | . | . | trans | -98.5 | 136.3 | 178 | -64.2 | -171.9 | 0 | 0 | 0 | 112.4 | L568 V584 K588 C761 C764 I768 C771 | L568-L766 HydrophobicContact CD2-CD1 3.74Å; V584-L766 HydrophobicContact CG1-CD1 3.89Å; V584-L766 HydrophobicContact CG1-CD2 4.49Å; V584-L766 HydrophobicContact CG1-CG 4.39Å; K588-L766 HydrophobicContact CB-CD1 4.3Å; K588-L766 HydrophobicContact CD-CD2 3.89Å; K588-L766 HydrophobicContact CG-CD2 4.46Å; C761-L766 HydrophobicContact CB-CB 4.48Å; C761-L766 PolarHBondContact O-N 3.13Å; C764-L766 HydrophobicContact CB-CG 4.15Å; C764-L766 PolarHBondContact O-N 3.5Å; L766-I768 VanDerWaalsContact C-N 3.25Å; L766-I768 PolarHBondContact O-N 2.9Å; L766-I768 VanDerWaalsContact O-N 3.12Å; L766-C771 PolarHBondContact O-SG 3.33Å | ||
| 767 | Y | 76.7 | Confident | 76.7 | Confident | 46 Ų | 46 | 20.3 Ų | 20.3 | 18% | 0.18 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 47.6 | 43.7 | 168.3 | -57.6 | -58.8 | 0 | 0 | 0 | 114.4 | K588 I591 N592 W690 S769 Q770 C771 | K588-Y767 WeakPolarHBondContact CE-OH 3.44Å; K588-Y767 HydrophobicContact CG-CE2 3.9Å; K588-Y767 WeakPolarHBondContact CG-OH 3.42Å; I591-Y767 HydrophobicContact CB-CE2 4.37Å; I591-Y767 HydrophobicContact CG2-CD2 4.09Å; I591-Y767 HydrophobicContact CG2-CE2 3.72Å; N592-Y767 VanDerWaalsContact CG-OH 3.3Å; N592-Y767 PolarHBondContact ND2-OH 2.79Å; N592-Y767 PolarHBondContact OD1-OH 3.47Å; W690-Y767 HydrophobicContact CZ2-CD2 4.01Å; W690-Y767 HydrophobicContact CZ2-CG 4.07Å; W690-Y767 AromaticContact NE1-CD2 3.74Å; W690-Y767 AromaticContact NE1-CG 3.8Å; Y767-S769 VanDerWaalsContact C-N 3.34Å; Y767-S769 PolarHBondContact O-N 2.96Å; Y767-Q770 PolarHBondContact O-N 3.43Å; Y767-Q770 PolarHBondContact O-OE1 2.8Å; Y767-C771 PolarHBondContact O-N 2.79Å; Y767-C771 PolarHBondContact O-SG 2.88Å |
| 768 | I | 76.3 | Confident | 76.5 | Confident | 16 Ų | 16 | 20.4 Ų | 20.4 | 8% | 0.082 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.1 | -38.8 | -166 | -59.2 | 178.6 | 0 | 0 | 0 | 112.4 | L762 D765 L766 C771 L772 L860 L865 | L762-I768 HydrophobicContact CD2-CB 4.33Å; L762-I768 HydrophobicContact CD2-CG1 4.27Å; L762-I768 HydrophobicContact CD2-CG2 3.92Å; D765-I768 HydrophobicContact CB-CD1 4.19Å; L766-I768 VanDerWaalsContact C-N 3.25Å; L766-I768 PolarHBondContact O-N 2.9Å; L766-I768 VanDerWaalsContact O-N 3.12Å; I768-C771 WeakPolarHBondContact O-CB 3.47Å; I768-C771 PolarHBondContact O-N 2.85Å; I768-L772 HydrophobicContact CG2-CD1 4Å; I768-L772 HydrophobicContact CG2-CG 4.4Å; I768-L772 WeakPolarHBondContact O-CB 3.43Å; I768-L772 VanDerWaalsContact O-CG 3.28Å; I768-L772 WeakPolarHBondContact O-CG 3.43Å; I768-L772 PolarHBondContact O-N 2.68Å; I768-L860 HydrophobicContact CD1-CD1 3.34Å; I768-L860 HydrophobicContact CD1-CD2 4.15Å; I768-L860 HydrophobicContact CD1-CG 4.4Å; I768-L865 HydrophobicContact CB-CD1 4.45Å |
| 769 | S | 74.9 | Confident | 76.3 | Confident | 17 Ų | 17 | 20.5 Ų | 20.5 | 12% | 0.119 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.2 | -38.1 | 175.5 | 45.2 | 0 | 0 | 0 | 0 | 112.7 | Y767 I773 | Y767-S769 VanDerWaalsContact C-N 3.34Å; Y767-S769 PolarHBondContact O-N 2.96Å; S769-I773 WeakPolarHBondContact O-CB 3.47Å; S769-I773 WeakPolarHBondContact O-CD1 3.37Å; S769-I773 VanDerWaalsContact O-CG1 3.22Å; S769-I773 WeakPolarHBondContact O-CG1 3.34Å; S769-I773 PolarHBondContact O-N 2.74Å |
| 770 | Q | 78.5 | Confident | 76.4 | Confident | 32 Ų | 32 | 23.3 Ų | 23.3 | 15% | 0.15 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.4 | -43.1 | 173.6 | -65.8 | 77.2 | 14.9 | 0 | 0 | 111.4 | I660 W690 Y767 L772 I773 S774 | I660-Q770 HydrophobicContact CD1-CB 4.21Å; I660-Q770 VanDerWaalsContact CD1-O 3.32Å; I660-Q770 WeakPolarHBondContact CD1-O 3.3Å; W690-Q770 HydrophobicContact CD2-CB 3.82Å; W690-Q770 HydrophobicContact CD2-CG 4.26Å; W690-Q770 HydrophobicContact CE3-CB 3.73Å; W690-Q770 HydrophobicContact CH2-CB 4.08Å; W690-Q770 HydrophobicContact CZ2-CB 4.14Å; W690-Q770 HydrophobicContact CZ3-CB 3.86Å; Y767-Q770 PolarHBondContact O-N 3.43Å; Y767-Q770 PolarHBondContact O-OE1 2.8Å; Q770-L772 PolarHBondContact O-N 3.2Å; Q770-I773 PolarHBondContact O-N 2.94Å; Q770-S774 PolarHBondContact O-N 3.16Å; Q770-S774 PolarHBondContact O-OG 3.2Å |
| 771 | C | 78.2 | Confident | 76.6 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57 | -48.9 | 174.9 | -65.6 | 0 | 0 | 0 | 0 | 111.8 | I758 L762 L766 Y767 I768 S774 I775 | I758-C771 HydrophobicContact CG2-CB 3.84Å; L762-C771 HydrophobicContact CD1-CB 4.13Å; L762-C771 HydrophobicContact CD2-CB 3.66Å; L762-C771 HydrophobicContact CG-CB 3.74Å; L766-C771 PolarHBondContact O-SG 3.33Å; Y767-C771 PolarHBondContact O-N 2.79Å; Y767-C771 PolarHBondContact O-SG 2.88Å; I768-C771 WeakPolarHBondContact O-CB 3.47Å; I768-C771 PolarHBondContact O-N 2.85Å; C771-S774 PolarHBondContact O-N 2.83Å; C771-I775 WeakPolarHBondContact O-CD1 3.45Å; C771-I775 VanDerWaalsContact O-CG1 3.3Å; C771-I775 WeakPolarHBondContact O-CG1 3.5Å; C771-I775 PolarHBondContact O-N 2.68Å; C771-I775 VanDerWaalsContact O-N 3.09Å |
| 772 | L | 76.3 | Confident | 76.5 | Confident | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.5 | -54.4 | 178.1 | -79.4 | 172.9 | 0 | 0 | 0 | 111.4 | I768 Q770 S774 I775 E776 N869 L872 | I768-L772 HydrophobicContact CG2-CD1 4Å; I768-L772 HydrophobicContact CG2-CG 4.4Å; I768-L772 WeakPolarHBondContact O-CB 3.43Å; I768-L772 VanDerWaalsContact O-CG 3.28Å; I768-L772 WeakPolarHBondContact O-CG 3.43Å; I768-L772 PolarHBondContact O-N 2.68Å; Q770-L772 PolarHBondContact O-N 3.2Å; L772-S774 VanDerWaalsContact C-N 3.26Å; L772-S774 PolarHBondContact O-N 2.88Å; L772-I775 WeakPolarHBondContact O-CA 3.34Å; L772-I775 WeakPolarHBondContact O-CB 3.44Å; L772-I775 PolarHBondContact O-N 3.12Å; L772-E776 PolarHBondContact O-N 2.98Å; L772-E776 VanDerWaalsContact O-N 3.11Å; L772-N869 HydrophobicContact CD1-CB 3.99Å; L772-L872 HydrophobicContact CB-CD1 3.74Å; L772-L872 HydrophobicContact CD2-CD1 4.04Å; L772-L872 HydrophobicContact CG-CD1 4.48Å; L772-L872 WeakPolarHBondContact O-CD1 3.32Å |
| 773 | I | 76.9 | Confident | 76.4 | Confident | 33 Ų | 33 | 23.3 Ų | 23.3 | 17% | 0.169 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.7 | -39.8 | 179.1 | -66.4 | 164.8 | 0 | 0 | 0 | 111.3 | I660 S769 Q770 I775 E776 Y777 | I660-I773 HydrophobicContact CD1-CB 3.89Å; I660-I773 HydrophobicContact CD1-CG2 3.75Å; I660-I773 HydrophobicContact CG1-CG2 4.45Å; S769-I773 WeakPolarHBondContact O-CB 3.47Å; S769-I773 WeakPolarHBondContact O-CD1 3.37Å; S769-I773 VanDerWaalsContact O-CG1 3.22Å; S769-I773 WeakPolarHBondContact O-CG1 3.34Å; S769-I773 PolarHBondContact O-N 2.74Å; Q770-I773 PolarHBondContact O-N 2.94Å; I773-I775 PolarHBondContact O-N 3.33Å; I773-E776 PolarHBondContact O-N 3.37Å; I773-Y777 HydrophobicContact CG2-CD2 4.14Å; I773-Y777 HydrophobicContact CG2-CE2 3.74Å; I773-Y777 WeakPolarHBondContact O-CD2 3.44Å; I773-Y777 PolarHBondContact O-N 2.86Å |
| 774 | S | 79.1 | Confident | 76.6 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.4 | -38.8 | 173.9 | -69.2 | 0 | 0 | 0 | 0 | 113.4 | Q770 C771 L772 I778 | Q770-S774 PolarHBondContact O-N 3.16Å; Q770-S774 PolarHBondContact O-OG 3.2Å; C771-S774 PolarHBondContact O-N 2.83Å; L772-S774 VanDerWaalsContact C-N 3.26Å; L772-S774 PolarHBondContact O-N 2.88Å; S774-I778 WeakPolarHBondContact O-CG1 3.46Å; S774-I778 PolarHBondContact O-N 3.03Å |
| 775 | I | 79 | Confident | 76.8 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.5 | -40.2 | 178.1 | -70.2 | 161.4 | 0 | 0 | 0 | 111.3 | I758 L762 C771 L772 I773 I778 W779 L846 L849 I850 | I758-I775 HydrophobicContact CG2-CD1 4.01Å; I758-I775 HydrophobicContact CG2-CG1 4.17Å; L762-I775 HydrophobicContact CD1-CD1 3.77Å; C771-I775 WeakPolarHBondContact O-CD1 3.45Å; C771-I775 VanDerWaalsContact O-CG1 3.3Å; C771-I775 WeakPolarHBondContact O-CG1 3.5Å; C771-I775 PolarHBondContact O-N 2.68Å; C771-I775 VanDerWaalsContact O-N 3.09Å; L772-I775 WeakPolarHBondContact O-CA 3.34Å; L772-I775 WeakPolarHBondContact O-CB 3.44Å; L772-I775 PolarHBondContact O-N 3.12Å; I773-I775 PolarHBondContact O-N 3.33Å; I775-I778 PolarHBondContact O-N 2.87Å; I775-W779 WeakPolarHBondContact O-CB 3.27Å; I775-W779 PolarHBondContact O-N 3.3Å; I775-L846 HydrophobicContact CG2-CD2 3.62Å; I775-L846 HydrophobicContact CG2-CG 4.32Å; I775-L849 HydrophobicContact CD1-CB 4.15Å; I775-L849 HydrophobicContact CD1-CD2 4.24Å; I775-I850 HydrophobicContact CG2-CD1 4.31Å; I775-I850 HydrophobicContact CG2-CG1 3.8Å |
| 776 | E | 76.8 | Confident | 76.6 | Confident | 43 Ų | 43 | 22.7 Ų | 22.7 | 20% | 0.201 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.8 | -50.7 | 178.3 | -174.4 | 172.1 | -165.5 | 0 | 0 | 112.2 | L772 I773 I778 W779 M780 L872 S875 | L772-E776 PolarHBondContact O-N 2.98Å; L772-E776 VanDerWaalsContact O-N 3.11Å; I773-E776 PolarHBondContact O-N 3.37Å; E776-I778 VanDerWaalsContact C-N 3.33Å; E776-I778 PolarHBondContact O-N 3.33Å; E776-W779 PolarHBondContact O-N 2.91Å; E776-M780 WeakPolarHBondContact O-CG 3.49Å; E776-M780 PolarHBondContact O-N 2.86Å; E776-L872 HydrophobicContact CB-CB 4.4Å; E776-L872 HydrophobicContact CB-CD1 3.95Å; E776-L872 HydrophobicContact CB-CG 3.92Å; E776-L872 HydrophobicContact CG-CB 4.47Å; E776-L872 HydrophobicContact CG-CG 4.35Å; E776-S875 WeakPolarHBondContact CG-OG 3.38Å; E776-S875 WeakPolarHBondContact OE1-CB 3.48Å; E776-S875 PolarHBondContact OE1-OG 3.32Å |
| 777 | Y | 78.1 | Confident | 76.2 | Confident | 63 Ų | 63 | 26.3 Ų | 26.3 | 25% | 0.247 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.1 | -35.8 | -179.2 | -72.2 | -71.5 | 0 | 0 | 0 | 112.7 | T648 F661 I697 I773 M780 I781 | T648-Y777 HydrophobicContact CG2-CE1 4.24Å; F661-Y777 AromaticContact CE2-CD2 3.97Å; F661-Y777 HydrophobicContact CE2-CD2 3.97Å; F661-Y777 HydrophobicContact CE2-CE1 4.32Å; F661-Y777 AromaticContact CE2-CE2 3.42Å; F661-Y777 HydrophobicContact CE2-CE2 3.42Å; F661-Y777 VanDerWaalsContact CE2-CE2 3.42Å; F661-Y777 AromaticContact CE2-CZ 3.63Å; F661-Y777 HydrophobicContact CZ-CD1 4.32Å; F661-Y777 AromaticContact CZ-CD2 3.68Å; F661-Y777 HydrophobicContact CZ-CD2 3.68Å; F661-Y777 HydrophobicContact CZ-CE1 4.28Å; F661-Y777 AromaticContact CZ-CE2 3.64Å; F661-Y777 HydrophobicContact CZ-CE2 3.64Å; F661-Y777 HydrophobicContact CZ-CG 4.05Å; F661-Y777 AromaticContact CZ-CZ 3.96Å; I697-Y777 HydrophobicContact CG2-CG 4.44Å; I773-Y777 HydrophobicContact CG2-CD2 4.14Å; I773-Y777 HydrophobicContact CG2-CE2 3.74Å; I773-Y777 WeakPolarHBondContact O-CD2 3.44Å; I773-Y777 PolarHBondContact O-N 2.86Å; Y777-M780 PolarHBondContact O-N 3.35Å; Y777-I781 WeakPolarHBondContact O-CG1 3.29Å; Y777-I781 PolarHBondContact O-N 3.21Å |
| 778 | I | 80.9 | Confident | 75.6 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -70.8 | -39.5 | 177.7 | -61.2 | 169.7 | 0 | 0 | 0 | 110.7 | I697 L751 L755 S774 I775 E776 M780 I781 I782 L842 L846 | I697-I778 HydrophobicContact CD1-CD1 4.09Å; I697-I778 HydrophobicContact CD1-CG1 4.04Å; I697-I778 HydrophobicContact CG1-CD1 4.2Å; I697-I778 HydrophobicContact CG1-CG1 3.97Å; L751-I778 HydrophobicContact CD2-CD1 4.02Å; L751-I778 HydrophobicContact CD2-CG1 4.15Å; L755-I778 HydrophobicContact CD1-CB 4.45Å; L755-I778 HydrophobicContact CD1-CD1 3.48Å; L755-I778 VanDerWaalsContact CD1-CD1 3.48Å; L755-I778 HydrophobicContact CD1-CG2 3.96Å; S774-I778 WeakPolarHBondContact O-CG1 3.46Å; S774-I778 PolarHBondContact O-N 3.03Å; I775-I778 PolarHBondContact O-N 2.87Å; E776-I778 VanDerWaalsContact C-N 3.33Å; E776-I778 PolarHBondContact O-N 3.33Å; I778-M780 VanDerWaalsContact C-N 3.32Å; I778-M780 PolarHBondContact O-N 3.45Å; I778-I781 PolarHBondContact O-N 3.4Å; I778-I782 HydrophobicContact CG2-CD1 4.47Å; I778-I782 WeakPolarHBondContact O-CG1 3.44Å; I778-I782 PolarHBondContact O-N 3.25Å; I778-L842 HydrophobicContact CG2-CD2 4Å; I778-L846 HydrophobicContact CB-CD1 4.18Å; I778-L846 HydrophobicContact CG2-CD1 3.7Å |
| 779 | W | 78.7 | Confident | 74.8 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.3 | -43.8 | 172.1 | -178 | -108.3 | 0 | 0 | 0 | 111.8 | I775 E776 I781 I782 L783 L843 L846 L847 I850 V876 I883 I884 | I775-W779 WeakPolarHBondContact O-CB 3.27Å; I775-W779 PolarHBondContact O-N 3.3Å; E776-W779 PolarHBondContact O-N 2.91Å; W779-I781 VanDerWaalsContact C-N 3.34Å; W779-I781 PolarHBondContact O-N 3.36Å; W779-I782 PolarHBondContact O-N 3.02Å; W779-L783 VanDerWaalsContact CD1-CD1 3.47Å; W779-L783 HydrophobicContact CG-CD1 4.24Å; W779-L783 VanDerWaalsContact NE1-CD1 3.27Å; W779-L783 PolarHBondContact O-N 3.49Å; W779-L843 HydrophobicContact CE3-CD1 4.49Å; W779-L843 HydrophobicContact CH2-CD1 4.28Å; W779-L843 HydrophobicContact CZ3-CD1 3.61Å; W779-L846 HydrophobicContact CB-CD1 4.44Å; W779-L846 HydrophobicContact CB-CD2 4.34Å; W779-L846 HydrophobicContact CE3-CD1 4.43Å; W779-L846 HydrophobicContact CE3-CD2 3.77Å; W779-L846 HydrophobicContact CZ3-CD2 4.49Å; W779-L847 HydrophobicContact CH2-CD2 4.07Å; W779-L847 HydrophobicContact CZ3-CD2 4.06Å; W779-I850 HydrophobicContact CE3-CD1 4.4Å; W779-V876 HydrophobicContact CG-CG2 4.13Å; W779-V876 HydrophobicContact CZ2-CG1 4.31Å; W779-V876 PolarHBondContact NE1-O 3.07Å; W779-I883 HydrophobicContact CH2-CD1 3.96Å; W779-I883 HydrophobicContact CZ2-CD1 4.21Å; W779-I883 HydrophobicContact CZ3-CD1 4.41Å; W779-I884 HydrophobicContact CH2-CD1 4.3Å |
| 780 | M | 78.7 | Confident | 74 | Confident | 64 Ų | 64 | 30 Ų | 30 | 32% | 0.315 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -66.2 | -31.3 | 176.7 | -68.6 | -60.3 | -68.7 | 0 | 0 | 113.4 | E776 Y777 I778 L783 R784 | E776-M780 WeakPolarHBondContact O-CG 3.49Å; E776-M780 PolarHBondContact O-N 2.86Å; Y777-M780 PolarHBondContact O-N 3.35Å; I778-M780 VanDerWaalsContact C-N 3.32Å; I778-M780 PolarHBondContact O-N 3.45Å; M780-L783 HydrophobicContact SD-CD1 4.02Å; M780-R784 WeakPolarHBondContact O-CB 3.39Å; M780-R784 VanDerWaalsContact O-CG 3.26Å; M780-R784 WeakPolarHBondContact O-CG 3.48Å; M780-R784 PolarHBondContact O-N 3.29Å; M780-R784 VanDerWaalsContact O-N 3.07Å |
| 781 | I | 78 | Confident | 72.9 | Confident | 7 Ų | 7 | 31.7 Ų | 31.7 | 4% | 0.036 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.9 | -45.9 | 171.9 | -70.4 | 166.4 | 0 | 0 | 0 | 110.6 | I697 A700 E701 L704 Y777 I778 W779 R784 Y785 | I697-I781 HydrophobicContact CG2-CD1 4.11Å; A700-I781 HydrophobicContact CB-CD1 4.32Å; E701-I781 HydrophobicContact CB-CD1 4.23Å; E701-I781 HydrophobicContact CB-CG1 4.35Å; E701-I781 HydrophobicContact CG-CG1 4.29Å; L704-I781 HydrophobicContact CD2-CG2 4.18Å; Y777-I781 WeakPolarHBondContact O-CG1 3.29Å; Y777-I781 PolarHBondContact O-N 3.21Å; I778-I781 PolarHBondContact O-N 3.4Å; W779-I781 VanDerWaalsContact C-N 3.34Å; W779-I781 PolarHBondContact O-N 3.36Å; I781-R784 PolarHBondContact O-N 2.98Å; I781-Y785 PolarHBondContact O-N 3.4Å |
| 782 | I | 77 | Confident | 71.8 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.2 | -47.3 | 177.9 | -65.3 | 172.7 | 0 | 0 | 0 | 111 | I778 W779 R784 Y785 L786 I838 L842 L846 | I778-I782 HydrophobicContact CG2-CD1 4.47Å; I778-I782 WeakPolarHBondContact O-CG1 3.44Å; I778-I782 PolarHBondContact O-N 3.25Å; W779-I782 PolarHBondContact O-N 3.02Å; I782-R784 VanDerWaalsContact C-N 3.31Å; I782-R784 PolarHBondContact O-N 2.94Å; I782-Y785 WeakPolarHBondContact O-CB 3.49Å; I782-Y785 PolarHBondContact O-N 3.36Å; I782-Y785 VanDerWaalsContact O-N 3.17Å; I782-L786 HydrophobicContact CG2-CD1 3.79Å; I782-L786 HydrophobicContact CG2-CG 4.39Å; I782-L786 WeakPolarHBondContact O-CG 3.2Å; I782-L786 PolarHBondContact O-N 3.36Å; I782-I838 HydrophobicContact CG2-CG2 3.97Å; I782-L842 HydrophobicContact CD1-CD2 4.09Å; I782-L846 HydrophobicContact CD1-CD1 3.69Å |
| 783 | L | 72.8 | Confident | 70.9 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.7 | -41.1 | 176.5 | -81.2 | 167.9 | 0 | 0 | 0 | 112.4 | W779 M780 Y785 L786 N787 N879 I883 | W779-L783 VanDerWaalsContact CD1-CD1 3.47Å; W779-L783 HydrophobicContact CG-CD1 4.24Å; W779-L783 VanDerWaalsContact NE1-CD1 3.27Å; W779-L783 PolarHBondContact O-N 3.49Å; M780-L783 HydrophobicContact SD-CD1 4.02Å; L783-Y785 VanDerWaalsContact C-N 3.34Å; L783-L786 PolarHBondContact O-N 2.92Å; L783-N787 WeakPolarHBondContact O-CB 3.25Å; L783-N787 VanDerWaalsContact O-CG 3.24Å; L783-N787 PolarHBondContact O-N 3.33Å; L783-N787 PolarHBondContact O-ND2 2.98Å; L783-N879 HydrophobicContact CD1-CB 3.44Å; L783-N879 VanDerWaalsContact CD1-CB 3.44Å; L783-N879 HydrophobicContact CD2-CB 4.35Å; L783-N879 VanDerWaalsContact CD2-O 3.31Å; L783-N879 WeakPolarHBondContact CD2-O 3.21Å; L783-I883 HydrophobicContact CD2-CD1 3.7Å; L783-I883 HydrophobicContact CD2-CG1 4.26Å; L783-I883 HydrophobicContact CG-CD1 4.31Å |
| 784 | R | 73.7 | Confident | 69.9 | Low | 79 Ų | 79 | 37.8 Ų | 37.8 | 30% | 0.298 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69 | -30 | 177.5 | -76.4 | 179.2 | 64.3 | -164.4 | -4.8 | 113 | E701 L704 N705 M780 I781 I782 I788 | E701-R784 IonicContact OE1-CZ 2.66Å; E701-R784 IonicContact OE1-NH1 3.57Å; E701-R784 PolarHBondContact OE1-NH1 3.34Å; E701-R784 IonicContact OE1-NH2 2.68Å; L704-R784 HydrophobicContact CD2-CB 3.93Å; N705-R784 PolarHBondContact OD1-NH2 3.4Å; M780-R784 WeakPolarHBondContact O-CB 3.39Å; M780-R784 VanDerWaalsContact O-CG 3.26Å; M780-R784 WeakPolarHBondContact O-CG 3.48Å; M780-R784 PolarHBondContact O-N 3.29Å; M780-R784 VanDerWaalsContact O-N 3.07Å; I781-R784 PolarHBondContact O-N 2.98Å; I782-R784 VanDerWaalsContact C-N 3.31Å; I782-R784 PolarHBondContact O-N 2.94Å; R784-I788 HydrophobicContact CB-CD1 4.12Å; R784-I788 HydrophobicContact CG-CD1 4.32Å; R784-I788 VanDerWaalsContact O-CB 3.24Å; R784-I788 WeakPolarHBondContact O-CB 3.28Å; R784-I788 VanDerWaalsContact O-CD1 3.31Å; R784-I788 WeakPolarHBondContact O-CD1 3.19Å; R784-I788 WeakPolarHBondContact O-CG1 3.41Å |
| 785 | Y | 75.7 | Confident | 68.8 | Low | 5 Ų | 5 | 40.1 Ų | 40.1 | 2% | 0.02 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.1 | -55.3 | 169.3 | 179.3 | -96.9 | 0 | 0 | 0 | 110.7 | L704 F744 I781 I782 L783 N787 I788 I789 I834 D835 I838 | L704-Y785 HydrophobicContact CD1-CD2 4.19Å; F744-Y785 AromaticContact CE1-CD2 3.73Å; F744-Y785 HydrophobicContact CE1-CD2 3.73Å; F744-Y785 HydrophobicContact CE1-CE2 4.04Å; F744-Y785 HydrophobicContact CZ-CD2 4.3Å; I781-Y785 PolarHBondContact O-N 3.4Å; I782-Y785 WeakPolarHBondContact O-CB 3.49Å; I782-Y785 PolarHBondContact O-N 3.36Å; I782-Y785 VanDerWaalsContact O-N 3.17Å; L783-Y785 VanDerWaalsContact C-N 3.34Å; Y785-N787 PolarHBondContact O-N 3.36Å; Y785-I788 PolarHBondContact O-N 3.28Å; Y785-I789 HydrophobicContact CD2-CD1 3.9Å; Y785-I789 HydrophobicContact CE2-CD1 4.05Å; Y785-I789 PolarHBondContact O-N 3.17Å; Y785-I834 HydrophobicContact CE1-CG2 4.26Å; Y785-I834 HydrophobicContact CE2-CG2 3.78Å; Y785-I834 WeakPolarHBondContact OH-CG2 3.48Å; Y785-D835 VanDerWaalsContact CE1-OD1 3.31Å; Y785-D835 WeakPolarHBondContact CE1-OD1 3.25Å; Y785-D835 PolarHBondContact OH-OD1 3.33Å; Y785-I838 HydrophobicContact CD1-CD1 3.52Å; Y785-I838 HydrophobicContact CD2-CD1 4.34Å; Y785-I838 HydrophobicContact CE1-CD1 3.72Å; Y785-I838 HydrophobicContact CE2-CD1 4.5Å; Y785-I838 HydrophobicContact CG-CD1 3.86Å |
| 786 | L | 68.4 | Low | 67.6 | Low | 40 Ų | 40 | 45.5 Ų | 45.5 | 21% | 0.209 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67 | -33.9 | -173.4 | -66.4 | 173.4 | 0 | 0 | 0 | 114.3 | I782 L783 I883 | I782-L786 HydrophobicContact CG2-CD1 3.79Å; I782-L786 HydrophobicContact CG2-CG 4.39Å; I782-L786 WeakPolarHBondContact O-CG 3.2Å; I782-L786 PolarHBondContact O-N 3.36Å; L783-L786 PolarHBondContact O-N 2.92Å; L786-I883 HydrophobicContact CD1-CD1 3.79Å; L786-I883 HydrophobicContact CD1-CG1 3.9Å |
| 787 | N | 66.1 | Low | 66.6 | Low | 89 Ų | 89 | 45.2 Ų | 45.2 | 48% | 0.476 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -86.9 | -14.7 | -176.7 | -66.8 | -13.9 | 0 | 0 | 0 | 114 | L783 Y785 S882 | L783-N787 WeakPolarHBondContact O-CB 3.25Å; L783-N787 VanDerWaalsContact O-CG 3.24Å; L783-N787 PolarHBondContact O-N 3.33Å; L783-N787 PolarHBondContact O-ND2 2.98Å; Y785-N787 PolarHBondContact O-N 3.36Å; N787-S882 VanDerWaalsContact OD1-CB 3.26Å; N787-S882 WeakPolarHBondContact OD1-CB 3.46Å; N787-S882 PolarHBondContact OD1-OG 3.09Å |
| 788 | I | 64 | Low | 65.5 | Low | 78 Ų | 78 | 43.4 Ų | 43.4 | 40% | 0.4 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -112.2 | -27.6 | -171.2 | -54.7 | 177.6 | 0 | 0 | 0 | 112.3 | H708 R784 Y785 | H708-I788 VanDerWaalsContact CD2-CG2 3.44Å; H708-I788 WeakPolarHBondContact CD2-CG2 3.44Å; H708-I788 WeakPolarHBondContact NE2-CG2 3.47Å; R784-I788 HydrophobicContact CB-CD1 4.12Å; R784-I788 HydrophobicContact CG-CD1 4.32Å; R784-I788 VanDerWaalsContact O-CB 3.24Å; R784-I788 WeakPolarHBondContact O-CB 3.28Å; R784-I788 VanDerWaalsContact O-CD1 3.31Å; R784-I788 WeakPolarHBondContact O-CD1 3.19Å; R784-I788 WeakPolarHBondContact O-CG1 3.41Å; Y785-I788 PolarHBondContact O-N 3.28Å |
| 789 | I | 59.4 | Low | 64.2 | Low | 15 Ų | 15 | 48.5 Ų | 48.5 | 8% | 0.077 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -113.4 | 107.9 | -173.8 | -49.9 | -177.6 | 0 | 0 | 0 | 110.4 | L704 F707 I711 Y785 S791 V794 | L704-I789 HydrophobicContact CD1-CD1 4.48Å; F707-I789 HydrophobicContact CD1-CD1 4.05Å; F707-I789 HydrophobicContact CE1-CD1 3.88Å; I711-I789 HydrophobicContact CD1-CD1 4.21Å; I711-I789 HydrophobicContact CD1-CG2 4.22Å; Y785-I789 HydrophobicContact CD2-CD1 3.9Å; Y785-I789 HydrophobicContact CE2-CD1 4.05Å; Y785-I789 PolarHBondContact O-N 3.17Å; I789-S791 PolarHBondContact O-N 3.44Å; I789-V794 HydrophobicContact CG2-CG2 3.42Å; I789-V794 VanDerWaalsContact CG2-CG2 3.42Å |
| 790 | P | 57.4 | Low | 62.9 | Low | 65 Ų | 65 | 51.9 Ų | 51.9 | 42% | 0.422 | 27% | 0.269 | S | S | . | . | trans | -64.7 | 132.4 | 176.7 | -21.4 | 33.5 | 0 | 0 | 0 | 111.9 | D792 Q793 | P790-D792 PolarHBondContact O-N 3.05Å; P790-D792 VanDerWaalsContact O-N 3.08Å; P790-Q793 HydrophobicContact CB-CG 4.22Å; P790-Q793 HydrophobicContact CG-CG 4.45Å; P790-Q793 WeakPolarHBondContact O-CB 3.49Å; P790-Q793 PolarHBondContact O-N 3.44Å | ||
| 791 | S | 56.4 | Low | 61.6 | Low | 66 Ų | 66 | 51 Ų | 51 | 46% | 0.462 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -49.3 | -40 | -178.2 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | I789 Q793 V794 N795 | I789-S791 PolarHBondContact O-N 3.44Å; S791-Q793 VanDerWaalsContact C-N 3.26Å; S791-Q793 PolarHBondContact O-N 3.15Å; S791-V794 PolarHBondContact O-N 3.39Å; S791-N795 WeakPolarHBondContact O-CB 3.36Å; S791-N795 PolarHBondContact O-N 3.38Å; S791-N795 PolarHBondContact O-ND2 3.4Å |
| 792 | D | 55.6 | Low | 60.4 | Low | 104 Ų | 104 | 53.8 Ų | 53.8 | 56% | 0.556 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -68.1 | -27.5 | -174.8 | -62.4 | -5.7 | 0 | 0 | 0 | 112.1 | P790 L796 | P790-D792 PolarHBondContact O-N 3.05Å; P790-D792 VanDerWaalsContact O-N 3.08Å; D792-L796 WeakPolarHBondContact O-CB 3.49Å; D792-L796 WeakPolarHBondContact O-CD1 3.42Å; D792-L796 VanDerWaalsContact O-CG 3.22Å; D792-L796 WeakPolarHBondContact O-CG 3.22Å; D792-L796 PolarHBondContact O-N 3.27Å |
| 793 | Q | 55.7 | Low | 59.1 | Low | 60 Ų | 60 | 59.6 Ų | 59.6 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -73.6 | -41.3 | 176.1 | -61.4 | -178.2 | 3.7 | 0 | 0 | 111.2 | M715 P790 S791 L796 I797 | M715-Q793 VanDerWaalsContact CE-CD 3.48Å; M715-Q793 HydrophobicContact CE-CG 4.08Å; P790-Q793 HydrophobicContact CB-CG 4.22Å; P790-Q793 HydrophobicContact CG-CG 4.45Å; P790-Q793 WeakPolarHBondContact O-CB 3.49Å; P790-Q793 PolarHBondContact O-N 3.44Å; S791-Q793 VanDerWaalsContact C-N 3.26Å; S791-Q793 PolarHBondContact O-N 3.15Å; Q793-L796 PolarHBondContact O-N 2.96Å; Q793-I797 VanDerWaalsContact O-CG1 3.31Å; Q793-I797 WeakPolarHBondContact O-CG1 3.41Å; Q793-I797 PolarHBondContact O-N 3.36Å |
| 794 | V | 56.7 | Low | 57.9 | Low | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 175 | -166 | 0 | 0 | 0 | 0 | 110.5 | Y741 I789 S791 L796 I797 V798 N832 | Y741-V794 HydrophobicContact CE2-CG1 4.3Å; I789-V794 HydrophobicContact CG2-CG2 3.42Å; I789-V794 VanDerWaalsContact CG2-CG2 3.42Å; S791-V794 PolarHBondContact O-N 3.39Å; V794-L796 VanDerWaalsContact C-N 3.31Å; V794-L796 PolarHBondContact O-N 2.88Å; V794-I797 PolarHBondContact O-N 3.47Å; V794-I797 VanDerWaalsContact O-N 3.14Å; V794-V798 HydrophobicContact CG1-CG2 4.46Å; V794-V798 PolarHBondContact O-N 3.2Å; V794-N832 HydrophobicContact CG1-CB 4.06Å |
| 795 | N | 55.8 | Low | 56.7 | Low | 51 Ų | 51 | 63 Ų | 63 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.3 | -42.4 | 173.8 | -72.8 | -29 | 0 | 0 | 0 | 111.8 | S791 Q799 N832 | S791-N795 WeakPolarHBondContact O-CB 3.36Å; S791-N795 PolarHBondContact O-N 3.38Å; S791-N795 PolarHBondContact O-ND2 3.4Å; N795-Q799 VanDerWaalsContact O-CB 3.27Å; N795-Q799 WeakPolarHBondContact O-CB 3.16Å; N795-Q799 WeakPolarHBondContact O-CG 3.48Å; N795-Q799 PolarHBondContact O-N 2.96Å; N795-N832 PolarHBondContact OD1-ND2 3.09Å; N795-N832 PolarHBondContact OD1-OD1 2.99Å |
| 796 | L | 53.7 | Low | 55.2 | Low | 114 Ų | 114 | 68.4 Ų | 68.4 | 60% | 0.597 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.2 | -43.4 | 174.9 | -80.6 | 167.5 | 0 | 0 | 0 | 112.1 | D792 Q793 V794 Q799 H800 | D792-L796 WeakPolarHBondContact O-CB 3.49Å; D792-L796 WeakPolarHBondContact O-CD1 3.42Å; D792-L796 VanDerWaalsContact O-CG 3.22Å; D792-L796 WeakPolarHBondContact O-CG 3.22Å; D792-L796 PolarHBondContact O-N 3.27Å; Q793-L796 PolarHBondContact O-N 2.96Å; V794-L796 VanDerWaalsContact C-N 3.31Å; V794-L796 PolarHBondContact O-N 2.88Å; L796-Q799 PolarHBondContact O-N 3.2Å; L796-H800 WeakPolarHBondContact O-CB 3.3Å; L796-H800 PolarHBondContact O-N 3.46Å |
| 797 | I | 55.4 | Low | 54 | Low | 37 Ų | 37 | 69.6 Ų | 69.6 | 19% | 0.19 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 176.6 | -70.8 | 165.7 | 0 | 0 | 0 | 110.6 | Q793 V794 H800 F801 | Q793-I797 VanDerWaalsContact O-CG1 3.31Å; Q793-I797 WeakPolarHBondContact O-CG1 3.41Å; Q793-I797 PolarHBondContact O-N 3.36Å; V794-I797 PolarHBondContact O-N 3.47Å; V794-I797 VanDerWaalsContact O-N 3.14Å; I797-H800 PolarHBondContact O-N 3.35Å; I797-F801 HydrophobicContact CG2-CD2 3.76Å; I797-F801 HydrophobicContact CG2-CE2 3.44Å; I797-F801 VanDerWaalsContact CG2-CE2 3.44Å; I797-F801 VanDerWaalsContact O-CD2 3.22Å; I797-F801 WeakPolarHBondContact O-CD2 3.46Å; I797-F801 PolarHBondContact O-N 2.99Å |
| 798 | V | 55.5 | Low | 53 | Low | 24 Ų | 24 | 70.1 Ų | 70.1 | 15% | 0.145 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.6 | -36.2 | 179.4 | 172.3 | 0 | 0 | 0 | 0 | 112.3 | Y741 V794 H800 F801 T802 N832 | Y741-V798 HydrophobicContact CE2-CG2 4.48Å; V794-V798 HydrophobicContact CG1-CG2 4.46Å; V794-V798 PolarHBondContact O-N 3.2Å; V798-H800 VanDerWaalsContact C-N 3.35Å; V798-F801 PolarHBondContact O-N 2.91Å; V798-T802 HydrophobicContact CG1-CG2 4.42Å; V798-T802 WeakPolarHBondContact O-CB 3.36Å; V798-T802 WeakPolarHBondContact O-CG2 3.49Å; V798-T802 PolarHBondContact O-N 3.23Å; V798-T802 PolarHBondContact O-OG1 3.39Å; V798-N832 VanDerWaalsContact CB-OD1 3.32Å; V798-N832 WeakPolarHBondContact CB-OD1 3.47Å; V798-N832 HydrophobicContact CG2-CB 4.45Å; V798-N832 WeakPolarHBondContact CG2-OD1 3.43Å |
| 799 | Q | 53 | Low | 52.3 | Low | 109 Ų | 109 | 70.5 Ų | 70.5 | 51% | 0.509 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 168.7 | -79.5 | -170.2 | -0.7 | 0 | 0 | 112 | N795 L796 T802 N803 | N795-Q799 VanDerWaalsContact O-CB 3.27Å; N795-Q799 WeakPolarHBondContact O-CB 3.16Å; N795-Q799 WeakPolarHBondContact O-CG 3.48Å; N795-Q799 PolarHBondContact O-N 2.96Å; L796-Q799 PolarHBondContact O-N 3.2Å; Q799-T802 WeakPolarHBondContact CA-OG1 3.37Å; Q799-T802 PolarHBondContact O-OG1 3.3Å; Q799-N803 VanDerWaalsContact O-CB 3.3Å; Q799-N803 WeakPolarHBondContact O-CB 3.43Å; Q799-N803 PolarHBondContact O-N 3.2Å; Q799-N803 PolarHBondContact O-ND2 3.1Å |
| 800 | H | 51.5 | Low | 51.5 | Low | 73 Ų | 73 | 73 Ų | 73 | 34% | 0.338 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -74.3 | -29.9 | 179.4 | -142.4 | 46.9 | 0 | 0 | 0 | 112.3 | Y729 L796 I797 V798 N804 | Y729-H800 AromaticContact CE2-NE2 3.71Å; L796-H800 WeakPolarHBondContact O-CB 3.3Å; L796-H800 PolarHBondContact O-N 3.46Å; I797-H800 PolarHBondContact O-N 3.35Å; V798-H800 VanDerWaalsContact C-N 3.35Å; H800-N804 PolarHBondContact CD2-ND2 3.22Å; H800-N804 PolarHBondContact CE1-ND2 3.43Å; H800-N804 PolarHBondContact ND1-ND2 2.66Å; H800-N804 PolarHBondContact NE2-ND2 2.68Å; H800-N804 VanDerWaalsContact O-CB 3.28Å; H800-N804 WeakPolarHBondContact O-CB 3.39Å; H800-N804 PolarHBondContact O-N 3.19Å; H800-N804 PolarHBondContact O-ND2 3.01Å |
| 801 | F | 53.1 | Low | 50.9 | Low | 45 Ų | 45 | 72.6 Ų | 72.6 | 20% | 0.197 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.1 | -60.8 | 165.4 | -77 | -58.1 | 0 | 0 | 0 | 111.1 | A738 I797 V798 N803 N804 I805 | A738-F801 HydrophobicContact CB-CE1 3.97Å; A738-F801 HydrophobicContact CB-CZ 3.72Å; I797-F801 HydrophobicContact CG2-CD2 3.76Å; I797-F801 HydrophobicContact CG2-CE2 3.44Å; I797-F801 VanDerWaalsContact CG2-CE2 3.44Å; I797-F801 VanDerWaalsContact O-CD2 3.22Å; I797-F801 WeakPolarHBondContact O-CD2 3.46Å; I797-F801 PolarHBondContact O-N 2.99Å; V798-F801 PolarHBondContact O-N 2.91Å; F801-N803 PolarHBondContact O-N 3.21Å; F801-N803 VanDerWaalsContact O-N 3.13Å; F801-N804 PolarHBondContact O-N 3.21Å; F801-I805 HydrophobicContact CB-CD1 4.28Å; F801-I805 VanDerWaalsContact O-CD1 3.29Å; F801-I805 WeakPolarHBondContact O-CD1 3.44Å; F801-I805 WeakPolarHBondContact O-CG1 3.25Å; F801-I805 PolarHBondContact O-N 3.05Å |
| 802 | T | 51.8 | Low | 50.3 | Low | 66 Ų | 66 | 77.1 Ų | 77.1 | 41% | 0.405 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.5 | -31.2 | -175.1 | 50.7 | 0 | 0 | 0 | 0 | 114.3 | V798 Q799 | V798-T802 HydrophobicContact CG1-CG2 4.42Å; V798-T802 WeakPolarHBondContact O-CB 3.36Å; V798-T802 WeakPolarHBondContact O-CG2 3.49Å; V798-T802 PolarHBondContact O-N 3.23Å; V798-T802 PolarHBondContact O-OG1 3.39Å; Q799-T802 WeakPolarHBondContact CA-OG1 3.37Å; Q799-T802 PolarHBondContact O-OG1 3.3Å |
| 803 | N | 50.2 | Low | 49.7 | Very low | 124 Ų | 124 | 75.6 Ų | 75.6 | 66% | 0.663 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -83.2 | -23.7 | 176.3 | -72.2 | -58.1 | 0 | 0 | 0 | 115.1 | Q799 F801 | Q799-N803 VanDerWaalsContact O-CB 3.3Å; Q799-N803 WeakPolarHBondContact O-CB 3.43Å; Q799-N803 PolarHBondContact O-N 3.2Å; Q799-N803 PolarHBondContact O-ND2 3.1Å; F801-N803 PolarHBondContact O-N 3.21Å; F801-N803 VanDerWaalsContact O-N 3.13Å |
| 804 | N | 48 | Very low | 49 | Very low | 94 Ų | 94 | 76.9 Ų | 76.9 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -97.5 | -8.1 | -177.9 | -72.8 | -47.8 | 0 | 0 | 0 | 114.2 | H800 F801 S806 | H800-N804 PolarHBondContact CD2-ND2 3.22Å; H800-N804 PolarHBondContact CE1-ND2 3.43Å; H800-N804 PolarHBondContact ND1-ND2 2.66Å; H800-N804 PolarHBondContact NE2-ND2 2.68Å; H800-N804 VanDerWaalsContact O-CB 3.28Å; H800-N804 WeakPolarHBondContact O-CB 3.39Å; H800-N804 PolarHBondContact O-N 3.19Å; H800-N804 PolarHBondContact O-ND2 3.01Å; F801-N804 PolarHBondContact O-N 3.21Å; N804-S806 PolarHBondContact O-N 3.14Å |
| 805 | I | 46.6 | Very low | 48.3 | Very low | 60 Ų | 60 | 85.7 Ų | 85.7 | 31% | 0.308 | 45% | 0.452 | S | S | . | . | trans | -71.1 | 92.8 | -175 | -73.2 | 159.5 | 0 | 0 | 0 | 112 | F801 I811 | F801-I805 HydrophobicContact CB-CD1 4.28Å; F801-I805 VanDerWaalsContact O-CD1 3.29Å; F801-I805 WeakPolarHBondContact O-CD1 3.44Å; F801-I805 WeakPolarHBondContact O-CG1 3.25Å; F801-I805 PolarHBondContact O-N 3.05Å; I805-I811 HydrophobicContact CG2-CD1 3.7Å; I805-I811 HydrophobicContact CG2-CG1 3.39Å | ||
| 806 | S | 44.3 | Very low | 47.7 | Very low | 119 Ų | 119 | 89.2 Ų | 89.2 | 83% | 0.832 | 47% | 0.471 | S | S | * | . | trans | -111.4 | -4.4 | 157.6 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | N804 | N804-S806 PolarHBondContact O-N 3.14Š| ||
| 807 | S | 44.3 | Very low | 47 | Very low | 66 Ų | 66 | 87.2 Ų | 87.2 | 46% | 0.462 | 46% | 0.457 | S | S | . | . | trans | -81.1 | 134.3 | 174 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 808 | S | 45.2 | Very low | 46.3 | Very low | 100 Ų | 100 | 89.9 Ų | 89.9 | 70% | 0.699 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -87.7 | -10.7 | -163 | 53.9 | 0 | 0 | 0 | 0 | 116 | ||
| 809 | S | 48.6 | Very low | 45.5 | Very low | 85 Ų | 85 | 91 Ų | 91 | 59% | 0.594 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -72 | -55.7 | -179.4 | 47.6 | 0 | 0 | 0 | 0 | 112.3 | I811 K812 | S809-I811 VanDerWaalsContact C-N 3.28Å; S809-I811 PolarHBondContact O-N 3.15Å; S809-K812 WeakPolarHBondContact O-CB 3.21Å; S809-K812 PolarHBondContact O-N 2.98Å; S809-K812 VanDerWaalsContact O-N 3.09Å |
| 810 | F | 42.9 | Very low | 44.5 | Very low | 67 Ų | 67 | 95.2 Ų | 95.2 | 29% | 0.294 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -33.1 | -175 | -137.7 | -98.1 | 0 | 0 | 0 | 112.7 | A738 K812 I813 H814 | A738-F810 HydrophobicContact CB-CE2 3.87Å; A738-F810 HydrophobicContact CB-CZ 3.99Å; F810-K812 VanDerWaalsContact C-N 3.26Å; F810-K812 PolarHBondContact O-N 3.48Å; F810-I813 PolarHBondContact O-N 2.94Å; F810-H814 PolarHBondContact O-N 2.96Å |
| 811 | I | 44.9 | Very low | 43.7 | Very low | 57 Ų | 57 | 97.2 Ų | 97.2 | 29% | 0.292 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.5 | -37.9 | 175.2 | -61.2 | 176.5 | 0 | 0 | 0 | 111.7 | I805 S809 R815 | I805-I811 HydrophobicContact CG2-CD1 3.7Å; I805-I811 HydrophobicContact CG2-CG1 3.39Å; S809-I811 VanDerWaalsContact C-N 3.28Å; S809-I811 PolarHBondContact O-N 3.15Å; I811-R815 HydrophobicContact CG2-CG 4.13Å; I811-R815 VanDerWaalsContact O-CB 3.24Å; I811-R815 WeakPolarHBondContact O-CB 3.37Å; I811-R815 PolarHBondContact O-N 3.33Å |
| 812 | K | 44.6 | Very low | 42.6 | Very low | 161 Ų | 161 | 104.9 Ų | 104.9 | 70% | 0.7 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.1 | -37.3 | -178.7 | -106.4 | -172.8 | 173.6 | -171.3 | 0 | 112.4 | S809 F810 N816 | S809-K812 WeakPolarHBondContact O-CB 3.21Å; S809-K812 PolarHBondContact O-N 2.98Å; S809-K812 VanDerWaalsContact O-N 3.09Å; F810-K812 VanDerWaalsContact C-N 3.26Å; F810-K812 PolarHBondContact O-N 3.48Å; K812-N816 VanDerWaalsContact O-CG 3.28Å; K812-N816 PolarHBondContact O-N 3.01Å; K812-N816 PolarHBondContact O-OD1 3.35Å |
| 813 | I | 42.2 | Very low | 41.7 | Very low | 72 Ų | 72 | 104.4 Ų | 104.4 | 37% | 0.369 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.5 | -57 | 176.2 | -59.6 | 175.8 | 0 | 0 | 0 | 108.4 | F810 R815 N816 F817 | F810-I813 PolarHBondContact O-N 2.94Å; I813-R815 VanDerWaalsContact C-N 3.33Å; I813-R815 PolarHBondContact O-N 3.36Å; I813-N816 PolarHBondContact O-N 3.03Å; I813-F817 HydrophobicContact CG2-CD2 3.93Å; I813-F817 HydrophobicContact CG2-CE2 3.63Å; I813-F817 WeakPolarHBondContact O-CD2 3.27Å; I813-F817 PolarHBondContact O-N 2.75Å |
| 814 | H | 41.5 | Very low | 40.8 | Very low | 88 Ų | 88 | 103 Ų | 103 | 41% | 0.407 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.6 | -29.1 | -174.4 | -127.8 | -67.2 | 0 | 0 | 0 | 114.8 | F810 Y818 | F810-H814 PolarHBondContact O-N 2.96Å; H814-Y818 AromaticContact CE1-CE2 3.99Å; H814-Y818 AromaticContact ND1-CD2 3.89Å; H814-Y818 PolarHBondContact O-N 3.05Å |
| 815 | R | 42.2 | Very low | 40.1 | Very low | 187 Ų | 187 | 105.3 Ų | 105.3 | 71% | 0.706 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -77.9 | -19 | 173.7 | -83.3 | -171.9 | 163.5 | 153 | -3.4 | 114.6 | I811 I813 | I811-R815 HydrophobicContact CG2-CG 4.13Å; I811-R815 VanDerWaalsContact O-CB 3.24Å; I811-R815 WeakPolarHBondContact O-CB 3.37Å; I811-R815 PolarHBondContact O-N 3.33Å; I813-R815 VanDerWaalsContact C-N 3.33Å; I813-R815 PolarHBondContact O-N 3.36Å |
| 816 | N | 42.8 | Very low | 39.6 | Very low | 126 Ų | 126 | 109.6 Ų | 109.6 | 67% | 0.674 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -80.2 | -40.7 | 173.5 | -76.3 | 7.4 | 0 | 0 | 0 | 110.3 | K812 I813 | K812-N816 VanDerWaalsContact O-CG 3.28Å; K812-N816 PolarHBondContact O-N 3.01Å; K812-N816 PolarHBondContact O-OD1 3.35Å; I813-N816 PolarHBondContact O-N 3.03Å |
| 817 | F | 39.7 | Very low | 39.2 | Very low | 72 Ų | 72 | 109.6 Ų | 109.6 | 32% | 0.316 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.2 | -53.4 | 171.8 | -79.5 | -73.8 | 0 | 0 | 0 | 112.5 | D488 Y745 I813 G819 | D488-F817 WeakPolarHBondContact OD2-CE1 3.38Å; Y745-F817 HydrophobicContact CE1-CE1 4.14Å; I813-F817 HydrophobicContact CG2-CD2 3.93Å; I813-F817 HydrophobicContact CG2-CE2 3.63Å; I813-F817 WeakPolarHBondContact O-CD2 3.27Å; I813-F817 PolarHBondContact O-N 2.75Å; F817-G819 PolarHBondContact O-N 3.1Å |
| 818 | Y | 38.7 | Very low | 38.9 | Very low | 93 Ų | 93 | 110 Ų | 110 | 37% | 0.365 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.6 | 79.5 | 178.3 | -70.1 | -92.4 | 0 | 0 | 0 | 111.7 | H814 K820 I821 E836 | H814-Y818 AromaticContact CE1-CE2 3.99Å; H814-Y818 AromaticContact ND1-CD2 3.89Å; H814-Y818 PolarHBondContact O-N 3.05Å; Y818-K820 PolarHBondContact O-N 3.38Å; Y818-K820 VanDerWaalsContact O-N 3.13Å; Y818-I821 HydrophobicContact CD1-CD1 4.41Å; Y818-E836 PolarHBondContact OH-OE2 2.77Å |
| 819 | G | 39 | Very low | 38.8 | Very low | 46 Ų | 46 | 111 Ų | 111 | 47% | 0.474 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.1 | 111.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | F817 I821 | F817-G819 PolarHBondContact O-N 3.1Å; G819-I821 PolarHBondContact O-N 3.36Å; G819-I821 VanDerWaalsContact O-N 3.1Å |
| 820 | K | 32.4 | Very low | 38.6 | Very low | 199 Ų | 199 | 110.9 Ų | 110.9 | 87% | 0.865 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 34.9 | 53.7 | 166.8 | -72.1 | -179.2 | -178.9 | 162.9 | 0 | 116.5 | Y818 K822 | Y818-K820 PolarHBondContact O-N 3.38Å; Y818-K820 VanDerWaalsContact O-N 3.13Å; K820-K822 PolarHBondContact O-N 2.84Å; K820-K822 VanDerWaalsContact O-N 3.11Å |
| 821 | I | 35.5 | Very low | 38.9 | Very low | 114 Ų | 114 | 114.9 Ų | 114.9 | 59% | 0.585 | 58% | 0.58 | S | S | * | * | trans | -62 | 113.9 | 168.8 | -59.2 | 178.2 | 0 | 0 | 0 | 109.7 | Y818 G819 S823 | Y818-I821 HydrophobicContact CD1-CD1 4.41Å; G819-I821 PolarHBondContact O-N 3.36Å; G819-I821 VanDerWaalsContact O-N 3.1Å; I821-S823 VanDerWaalsContact C-N 3.31Å; I821-S823 PolarHBondContact O-N 3.12Å | ||
| 822 | K | 29.6 | Very low | 39.6 | Very low | 207 Ų | 207 | 112.2 Ų | 112.2 | 90% | 0.9 | 57% | 0.566 | S | S | * | * | trans | -88.8 | 45.2 | -177.2 | -86.3 | -171.3 | 174 | 179.2 | 0 | 113.3 | K820 | K820-K822 PolarHBondContact O-N 2.84Å; K820-K822 VanDerWaalsContact O-N 3.11Å | ||
| 823 | S | 32.7 | Very low | 40.5 | Very low | 56 Ų | 56 | 105.3 Ų | 105.3 | 39% | 0.392 | 54% | 0.538 | S | S | . | . | trans | -153.5 | 114.7 | 175.1 | 35.7 | 0 | 0 | 0 | 0 | 111.4 | I821 N825 E826 | I821-S823 VanDerWaalsContact C-N 3.31Å; I821-S823 PolarHBondContact O-N 3.12Å; S823-N825 PolarHBondContact O-N 3.47Å; S823-E826 PolarHBondContact OG-OE2 3.42Å | ||
| 824 | S | 32 | Very low | 41.6 | Very low | 95 Ų | 95 | 101.9 Ų | 101.9 | 66% | 0.664 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 8.8 | 178.6 | 50.8 | 0 | 0 | 0 | 0 | 114.6 | I827 | S824-I827 WeakPolarHBondContact O-CD1 3.13Š|
| 825 | N | 33.5 | Very low | 42.8 | Very low | 142 Ų | 142 | 99 Ų | 99 | 76% | 0.759 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | -0.2 | -160.1 | -68.1 | 21.6 | 0 | 0 | 0 | 114.3 | S823 | S823-N825 PolarHBondContact O-N 3.47Š|
| 826 | E | 35.3 | Very low | 44 | Very low | 150 Ų | 150 | 93.9 Ų | 93.9 | 70% | 0.701 | 49% | 0.492 | S | S | * | . | trans | -105.7 | 11.8 | -178.6 | -69.1 | 172.4 | 134.8 | 0 | 0 | 113.1 | S823 G828 | S823-E826 PolarHBondContact OG-OE2 3.42Å; E826-G828 PolarHBondContact O-N 3.29Å | ||
| 827 | I | 36.8 | Very low | 45.3 | Very low | 119 Ų | 119 | 88.4 Ų | 88.4 | 61% | 0.61 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 3.1 | -176.6 | -55.6 | 172.6 | 0 | 0 | 0 | 112.8 | S824 I829 | S824-I827 WeakPolarHBondContact O-CD1 3.13Å; I827-I829 PolarHBondContact O-N 2.9Å |
| 828 | G | 37.7 | Very low | 46.7 | Very low | 74 Ų | 74 | 85 Ų | 85 | 76% | 0.763 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -12.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | E826 | E826-G828 PolarHBondContact O-N 3.29Š|
| 829 | I | 42 | Very low | 48 | Very low | 121 Ų | 121 | 81 Ų | 81 | 62% | 0.621 | 43% | 0.432 | S | S | * | . | trans | -137.1 | 62.1 | -174.4 | -41.5 | -179.5 | 0 | 0 | 0 | 111.4 | I827 R831 | I827-I829 PolarHBondContact O-N 2.9Å; I829-R831 HydrophobicContact CG2-CG 4.3Å; I829-R831 PolarHBondContact O-N 3.46Å | ||
| 830 | N | 44 | Very low | 49.3 | Very low | 83 Ų | 83 | 79.7 Ų | 79.7 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | trans | -69.9 | 94.1 | 169.2 | -72.5 | -9.2 | 0 | 0 | 0 | 110.2 | ||||
| 831 | R | 49.6 | Very low | 51 | Low | 151 Ų | 151 | 73 Ų | 73 | 57% | 0.57 | 39% | 0.388 | S | S | * | . | trans | -80 | 154.8 | 162.7 | -67.9 | 178.1 | 174.7 | -175.5 | -4.1 | 109.5 | I829 | I829-R831 HydrophobicContact CG2-CG 4.3Å; I829-R831 PolarHBondContact O-N 3.46Å | ||
| 832 | N | 60.5 | Low | 52.8 | Low | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | trans | -69.3 | 137.2 | 179.7 | -49.6 | -53.7 | 0 | 0 | 0 | 110.2 | V794 N795 V798 I834 D835 E836 | V794-N832 HydrophobicContact CG1-CB 4.06Å; N795-N832 PolarHBondContact OD1-ND2 3.09Å; N795-N832 PolarHBondContact OD1-OD1 2.99Å; V798-N832 VanDerWaalsContact CB-OD1 3.32Å; V798-N832 WeakPolarHBondContact CB-OD1 3.47Å; V798-N832 HydrophobicContact CG2-CB 4.45Å; V798-N832 WeakPolarHBondContact CG2-OD1 3.43Å; N832-I834 VanDerWaalsContact C-N 3.33Å; N832-I834 PolarHBondContact O-N 3.04Å; N832-D835 HydrophobicContact CB-CB 4.13Å; N832-D835 WeakPolarHBondContact CB-OD2 3.19Å; N832-D835 PolarHBondContact ND2-OD2 3.09Å; N832-D835 WeakPolarHBondContact O-CB 3.44Å; N832-D835 PolarHBondContact O-N 3.42Å; N832-D835 VanDerWaalsContact O-N 3.12Å; N832-E836 PolarHBondContact O-N 3.44Å | ||
| 833 | S | 62.5 | Low | 55 | Low | 16 Ų | 16 | 57.8 Ų | 57.8 | 11% | 0.112 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70 | -27.7 | -178.3 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | Y741 L837 | Y741-S833 PolarHBondContact OH-OG 3.09Å; S833-L837 WeakPolarHBondContact O-CB 3.49Å; S833-L837 PolarHBondContact O-N 3.07Å |
| 834 | I | 66.6 | Low | 56.8 | Low | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 168.2 | -69 | 178.1 | 0 | 0 | 0 | 110.8 | Y741 F744 Y745 L748 Y785 N832 L837 I838 | Y741-I834 HydrophobicContact CD1-CD1 4.09Å; Y741-I834 HydrophobicContact CD2-CD1 3.71Å; Y741-I834 HydrophobicContact CE1-CD1 3.83Å; Y741-I834 HydrophobicContact CE1-CG1 3.99Å; Y741-I834 HydrophobicContact CE2-CD1 3.45Å; Y741-I834 VanDerWaalsContact CE2-CD1 3.45Å; Y741-I834 HydrophobicContact CE2-CG1 4.09Å; Y741-I834 HydrophobicContact CG-CD1 4.03Å; F744-I834 HydrophobicContact CD1-CD1 3.98Å; F744-I834 HydrophobicContact CE1-CG2 4.33Å; Y745-I834 HydrophobicContact CD2-CG1 3.85Å; Y745-I834 HydrophobicContact CG-CG1 4.49Å; L748-I834 HydrophobicContact CD1-CG2 3.83Å; Y785-I834 HydrophobicContact CE1-CG2 4.26Å; Y785-I834 HydrophobicContact CE2-CG2 3.78Å; Y785-I834 WeakPolarHBondContact OH-CG2 3.48Å; N832-I834 VanDerWaalsContact C-N 3.33Å; N832-I834 PolarHBondContact O-N 3.04Å; I834-L837 PolarHBondContact O-N 2.98Å; I834-I838 HydrophobicContact CG2-CD1 3.63Å; I834-I838 HydrophobicContact CG2-CG1 4.3Å; I834-I838 WeakPolarHBondContact O-CB 3.48Å; I834-I838 WeakPolarHBondContact O-CG1 3.5Å; I834-I838 PolarHBondContact O-N 3.05Å |
| 835 | D | 66.1 | Low | 58.8 | Low | 29 Ų | 29 | 50.7 Ų | 50.7 | 16% | 0.155 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.4 | -44 | 176.5 | -63.6 | -15.6 | 0 | 0 | 0 | 110.3 | Y785 N832 L837 I838 I839 | Y785-D835 VanDerWaalsContact CE1-OD1 3.31Å; Y785-D835 WeakPolarHBondContact CE1-OD1 3.25Å; Y785-D835 PolarHBondContact OH-OD1 3.33Å; N832-D835 HydrophobicContact CB-CB 4.13Å; N832-D835 WeakPolarHBondContact CB-OD2 3.19Å; N832-D835 PolarHBondContact ND2-OD2 3.09Å; N832-D835 WeakPolarHBondContact O-CB 3.44Å; N832-D835 PolarHBondContact O-N 3.42Å; N832-D835 VanDerWaalsContact O-N 3.12Å; D835-L837 VanDerWaalsContact C-N 3.31Å; D835-L837 PolarHBondContact O-N 3.31Å; D835-I838 PolarHBondContact O-N 3.18Å; D835-I839 HydrophobicContact CB-CD1 3.8Å; D835-I839 VanDerWaalsContact O-CB 3.26Å; D835-I839 WeakPolarHBondContact O-CB 3.47Å; D835-I839 WeakPolarHBondContact O-CD1 3.36Å; D835-I839 PolarHBondContact O-N 3.29Å |
| 836 | E | 67.2 | Low | 60.8 | Low | 79 Ų | 79 | 43.9 Ų | 43.9 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -53.1 | -49 | 174.7 | -161.1 | -178.1 | -172.3 | 0 | 0 | 110.7 | Y818 N832 H840 | Y818-E836 PolarHBondContact OH-OE2 2.77Å; N832-E836 PolarHBondContact O-N 3.44Å; E836-H840 WeakPolarHBondContact O-CB 3.45Å; E836-H840 PolarHBondContact O-N 2.59Å |
| 837 | L | 69.1 | Low | 62.7 | Low | 11 Ų | 11 | 36.8 Ų | 36.8 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.3 | -43.2 | -178.9 | -172.8 | 126.5 | 0 | 0 | 0 | 113.4 | Y745 L748 T749 S833 I834 D835 L841 L842 | Y745-L837 HydrophobicContact CE2-CB 4.25Å; Y745-L837 HydrophobicContact CE2-CD1 4.04Å; L748-L837 HydrophobicContact CB-CD2 3.59Å; L748-L837 HydrophobicContact CD1-CD2 4.48Å; T749-L837 HydrophobicContact CG2-CD1 3.63Å; S833-L837 WeakPolarHBondContact O-CB 3.49Å; S833-L837 PolarHBondContact O-N 3.07Å; I834-L837 PolarHBondContact O-N 2.98Å; D835-L837 VanDerWaalsContact C-N 3.31Å; D835-L837 PolarHBondContact O-N 3.31Å; L837-L841 HydrophobicContact CD1-CD1 4.29Å; L837-L841 HydrophobicContact CG-CD1 4.39Å; L837-L841 WeakPolarHBondContact O-CB 3.46Å; L837-L841 PolarHBondContact O-N 3.2Å; L837-L842 HydrophobicContact CD2-CD1 3.95Å; L837-L842 PolarHBondContact O-N 3.3Å |
| 838 | I | 70.9 | Confident | 64.4 | Low | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -65.5 | -46.2 | 178.5 | -69.8 | 174.6 | 0 | 0 | 0 | 110.7 | L748 I782 Y785 I834 D835 L843 | L748-I838 HydrophobicContact CD1-CD1 3.97Å; L748-I838 HydrophobicContact CD1-CG1 4.09Å; L748-I838 HydrophobicContact CD2-CG1 4.48Å; I782-I838 HydrophobicContact CG2-CG2 3.97Å; Y785-I838 HydrophobicContact CD1-CD1 3.52Å; Y785-I838 HydrophobicContact CD2-CD1 4.34Å; Y785-I838 HydrophobicContact CE1-CD1 3.72Å; Y785-I838 HydrophobicContact CE2-CD1 4.5Å; Y785-I838 HydrophobicContact CG-CD1 3.86Å; I834-I838 HydrophobicContact CG2-CD1 3.63Å; I834-I838 HydrophobicContact CG2-CG1 4.3Å; I834-I838 WeakPolarHBondContact O-CB 3.48Å; I834-I838 WeakPolarHBondContact O-CG1 3.5Å; I834-I838 PolarHBondContact O-N 3.05Å; D835-I838 PolarHBondContact O-N 3.18Å; I838-L843 WeakPolarHBondContact O-CB 3.26Å; I838-L843 PolarHBondContact O-N 3.2Å |
| 839 | I | 65.4 | Low | 66.1 | Low | 7 Ų | 7 | 27.7 Ų | 27.7 | 4% | 0.036 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -85.2 | -30.1 | -170.6 | -70.3 | 131.5 | 0 | 0 | 0 | 113.1 | D835 P844 Y906 L943 | D835-I839 HydrophobicContact CB-CD1 3.8Å; D835-I839 VanDerWaalsContact O-CB 3.26Å; D835-I839 WeakPolarHBondContact O-CB 3.47Å; D835-I839 WeakPolarHBondContact O-CD1 3.36Å; D835-I839 PolarHBondContact O-N 3.29Å; I839-P844 WeakPolarHBondContact O-CD 3.26Å; I839-P844 WeakPolarHBondContact O-CG 3.4Å; I839-Y906 HydrophobicContact CB-CE1 4.36Å; I839-Y906 HydrophobicContact CD1-CE1 4.19Å; I839-Y906 HydrophobicContact CD1-CE2 4.16Å; I839-Y906 WeakPolarHBondContact CD1-OH 3.39Å; I839-Y906 HydrophobicContact CG1-CE1 3.72Å; I839-Y906 WeakPolarHBondContact CG1-OH 3.44Å; I839-Y906 HydrophobicContact CG2-CE1 3.67Å; I839-L943 HydrophobicContact CG2-CD2 4.2Å |
| 840 | H | 65.1 | Low | 67.7 | Low | 19 Ų | 19 | 22.1 Ų | 22.1 | 9% | 0.088 | 11% | 0.105 | C | C | . | . | I | π-helix | trans | -103.5 | -13.9 | -176.7 | -63 | -40.4 | 0 | 0 | 0 | 115.3 | E836 N939 | E836-H840 WeakPolarHBondContact O-CB 3.45Å; E836-H840 PolarHBondContact O-N 2.59Å; H840-N939 HydrophobicContact CB-CB 3.67Å; H840-N939 VanDerWaalsContact CG-CB 3.47Å; H840-N939 WeakPolarHBondContact ND1-CB 3.41Å |
| 841 | L | 68 | Low | 68.9 | Low | 59 Ų | 59 | 18.2 Ų | 18.2 | 31% | 0.309 | 8% | 0.084 | S | C | . | . | I | π-helix | trans | -126.6 | -51.9 | -180 | -60.2 | 171.7 | 0 | 0 | 0 | 112.7 | V430 L752 L837 N845 | V430-L841 HydrophobicContact CG2-CD2 3.76Å; L752-L841 HydrophobicContact CD1-CB 4.09Å; L752-L841 HydrophobicContact CD2-CB 3.88Å; L752-L841 HydrophobicContact CD2-CD1 3.95Å; L752-L841 HydrophobicContact CD2-CG 4.46Å; L837-L841 HydrophobicContact CD1-CD1 4.29Å; L837-L841 HydrophobicContact CG-CD1 4.39Å; L837-L841 WeakPolarHBondContact O-CB 3.46Å; L837-L841 PolarHBondContact O-N 3.2Å; L841-N845 WeakPolarHBondContact O-CB 3.34Å; L841-N845 PolarHBondContact O-N 2.71Å; L841-N845 PolarHBondContact O-ND2 3.04Å |
| 842 | L | 73.5 | Confident | 70 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.061 | C | C | . | . | I | π-helix | trans | -74.3 | -52 | -172.7 | -119.8 | 158.8 | 0 | 0 | 0 | 112.2 | L748 L752 L755 I778 I782 L837 L846 | L748-L842 HydrophobicContact CB-CD1 4.28Å; L748-L842 HydrophobicContact CD2-CD1 4.03Å; L752-L842 HydrophobicContact CD1-CG 4.3Å; L755-L842 HydrophobicContact CD1-CD2 4.32Å; L755-L842 HydrophobicContact CD2-CD2 4.01Å; I778-L842 HydrophobicContact CG2-CD2 4Å; I782-L842 HydrophobicContact CD1-CD2 4.09Å; L837-L842 HydrophobicContact CD2-CD1 3.95Å; L837-L842 PolarHBondContact O-N 3.3Å; L842-L846 WeakPolarHBondContact O-CB 3.43Å; L842-L846 PolarHBondContact O-N 3.43Å |
| 843 | L | 75.7 | Confident | 70.5 | Confident | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 179.8 | 179.7 | 64.7 | 0 | 0 | 0 | 113.8 | W779 I838 L846 L847 I883 L943 | W779-L843 HydrophobicContact CE3-CD1 4.49Å; W779-L843 HydrophobicContact CH2-CD1 4.28Å; W779-L843 HydrophobicContact CZ3-CD1 3.61Å; I838-L843 WeakPolarHBondContact O-CB 3.26Å; I838-L843 PolarHBondContact O-N 3.2Å; L843-L846 PolarHBondContact O-N 3.48Å; L843-L847 HydrophobicContact CD1-CD1 4.06Å; L843-L847 HydrophobicContact CD1-CG 4.07Å; L843-L847 HydrophobicContact CG-CD1 4.06Å; L843-L847 HydrophobicContact CG-CG 4.48Å; L843-L847 WeakPolarHBondContact O-CG 3.34Å; L843-L847 PolarHBondContact O-N 3.27Å; L843-I883 HydrophobicContact CD1-CG2 4.27Å; L843-I883 HydrophobicContact CD2-CG2 3.92Å; L843-L943 HydrophobicContact CD2-CD1 3.93Å; L843-L943 HydrophobicContact CG-CD1 4.03Å |
| 844 | P | 71.6 | Confident | 71 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.6 | -46.8 | 176.7 | -23.5 | 34.1 | 0 | 0 | 0 | 113 | V430 I839 L846 L847 C848 L943 S946 | V430-P844 HydrophobicContact CG1-CB 4.2Å; I839-P844 WeakPolarHBondContact O-CD 3.26Å; I839-P844 WeakPolarHBondContact O-CG 3.4Å; P844-L846 VanDerWaalsContact C-N 3.33Å; P844-L846 PolarHBondContact O-N 3.47Å; P844-L847 PolarHBondContact O-N 3.12Å; P844-C848 WeakPolarHBondContact O-CB 3.47Å; P844-C848 PolarHBondContact O-N 3.26Å; P844-L943 HydrophobicContact CG-CB 4.16Å; P844-L943 HydrophobicContact CG-CD1 3.87Å; P844-S946 WeakPolarHBondContact CB-OG 3.23Å; P844-S946 VanDerWaalsContact O-CB 3.3Å; P844-S946 WeakPolarHBondContact O-CB 3.33Å; P844-S946 PolarHBondContact O-OG 3.22Å |
| 845 | N | 72.8 | Confident | 71.1 | Confident | 2 Ų | 2 | 12.1 Ų | 12.1 | 1% | 0.011 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 175.8 | -82.2 | -56.5 | 0 | 0 | 0 | 111.3 | S431 L755 L841 C848 L849 | S431-N845 WeakPolarHBondContact CB-OD1 3.44Å; S431-N845 PolarHBondContact N-OD1 3.34Å; S431-N845 PolarHBondContact OG-OD1 3.39Å; L755-N845 HydrophobicContact CD2-CB 3.81Å; L841-N845 WeakPolarHBondContact O-CB 3.34Å; L841-N845 PolarHBondContact O-N 2.71Å; L841-N845 PolarHBondContact O-ND2 3.04Å; N845-C848 WeakPolarHBondContact O-CB 3.02Å; N845-C848 PolarHBondContact O-N 2.78Å; N845-L849 WeakPolarHBondContact O-CB 3.22Å; N845-L849 WeakPolarHBondContact O-CD1 3.38Å; N845-L849 VanDerWaalsContact O-CG 3.32Å; N845-L849 WeakPolarHBondContact O-CG 3.47Å; N845-L849 PolarHBondContact O-N 3.35Å |
| 846 | L | 77.1 | Confident | 71.2 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -68 | -39.2 | -178.3 | -149.9 | 166.2 | 0 | 0 | 0 | 112.2 | L755 I775 I778 W779 I782 L842 L843 P844 L849 I850 | L755-L846 HydrophobicContact CD2-CB 3.94Å; L755-L846 HydrophobicContact CD2-CG 4.26Å; I775-L846 HydrophobicContact CG2-CD2 3.62Å; I775-L846 HydrophobicContact CG2-CG 4.32Å; I778-L846 HydrophobicContact CB-CD1 4.18Å; I778-L846 HydrophobicContact CG2-CD1 3.7Å; W779-L846 HydrophobicContact CB-CD1 4.44Å; W779-L846 HydrophobicContact CB-CD2 4.34Å; W779-L846 HydrophobicContact CE3-CD1 4.43Å; W779-L846 HydrophobicContact CE3-CD2 3.77Å; W779-L846 HydrophobicContact CZ3-CD2 4.49Å; I782-L846 HydrophobicContact CD1-CD1 3.69Å; L842-L846 WeakPolarHBondContact O-CB 3.43Å; L842-L846 PolarHBondContact O-N 3.43Å; L843-L846 PolarHBondContact O-N 3.48Å; P844-L846 VanDerWaalsContact C-N 3.33Å; P844-L846 PolarHBondContact O-N 3.47Å; L846-L849 WeakPolarHBondContact O-CB 3.39Å; L846-L849 PolarHBondContact O-N 2.82Å; L846-I850 HydrophobicContact CD2-CD1 3.36Å; L846-I850 HydrophobicContact CD2-CG1 3.9Å; L846-I850 WeakPolarHBondContact O-CG1 3.35Å; L846-I850 PolarHBondContact O-N 2.87Å |
| 847 | L | 75.2 | Confident | 71.2 | Confident | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 172.2 | -71.9 | 171.3 | 0 | 0 | 0 | 111.8 | W779 L843 P844 L849 I850 G851 I884 L943 F950 | W779-L847 HydrophobicContact CH2-CD2 4.07Å; W779-L847 HydrophobicContact CZ3-CD2 4.06Å; L843-L847 HydrophobicContact CD1-CD1 4.06Å; L843-L847 HydrophobicContact CD1-CG 4.07Å; L843-L847 HydrophobicContact CG-CD1 4.06Å; L843-L847 HydrophobicContact CG-CG 4.48Å; L843-L847 WeakPolarHBondContact O-CG 3.34Å; L843-L847 PolarHBondContact O-N 3.27Å; P844-L847 PolarHBondContact O-N 3.12Å; L847-L849 VanDerWaalsContact C-N 3.33Å; L847-L849 PolarHBondContact O-N 2.82Å; L847-I850 PolarHBondContact O-N 3.14Å; L847-G851 PolarHBondContact O-N 3.31Å; L847-I884 HydrophobicContact CD2-CD1 4.1Å; L847-L943 HydrophobicContact CD1-CD1 4.29Å; L847-F950 HydrophobicContact CB-CB 4.26Å; L847-F950 HydrophobicContact CD2-CB 4.4Å; L847-F950 HydrophobicContact CD2-CD1 4.21Å; L847-F950 HydrophobicContact CD2-CG 4.15Å |
| 848 | C | 70.8 | Confident | 71 | Confident | 2 Ų | 2 | 8.2 Ų | 8.2 | 1% | 0.014 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -57.8 | -43.1 | 172.5 | -85.5 | 0 | 0 | 0 | 0 | 112.5 | M433 P844 N845 G851 Q852 S946 | M433-C848 HydrophobicContact CB-CB 3.99Å; M433-C848 HydrophobicContact CG-CB 3.88Å; M433-C848 HydrophobicContact SD-CB 4.14Å; P844-C848 WeakPolarHBondContact O-CB 3.47Å; P844-C848 PolarHBondContact O-N 3.26Å; N845-C848 WeakPolarHBondContact O-CB 3.02Å; N845-C848 PolarHBondContact O-N 2.78Å; C848-G851 PolarHBondContact O-N 3.11Å; C848-Q852 WeakPolarHBondContact O-CB 3.33Å; C848-Q852 PolarHBondContact O-N 3.24Å; C848-S946 PolarHBondContact SG-OG 3.15Å |
| 849 | L | 73.5 | Confident | 70.5 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 177.2 | -85.7 | 160 | 0 | 0 | 0 | 113.2 | M433 L755 I758 S759 L762 I775 N845 L846 L847 S853 | M433-L849 HydrophobicContact CE-CD2 4.07Å; M433-L849 VanDerWaalsContact SD-CA 3.51Å; M433-L849 HydrophobicContact SD-CB 4.23Å; M433-L849 HydrophobicContact SD-CD2 3.87Å; M433-L849 HydrophobicContact SD-CG 3.74Å; L755-L849 HydrophobicContact CB-CD1 4.38Å; L755-L849 HydrophobicContact CD2-CD1 3.63Å; L755-L849 HydrophobicContact CG-CD1 3.5Å; L755-L849 VanDerWaalsContact CG-CD1 3.5Å; I758-L849 HydrophobicContact CG2-CD2 4.15Å; S759-L849 VanDerWaalsContact CA-CD2 3.48Å; L762-L849 HydrophobicContact CD1-CD2 3.77Å; I775-L849 HydrophobicContact CD1-CB 4.15Å; I775-L849 HydrophobicContact CD1-CD2 4.24Å; N845-L849 WeakPolarHBondContact O-CB 3.22Å; N845-L849 WeakPolarHBondContact O-CD1 3.38Å; N845-L849 VanDerWaalsContact O-CG 3.32Å; N845-L849 WeakPolarHBondContact O-CG 3.47Å; N845-L849 PolarHBondContact O-N 3.35Å; L846-L849 WeakPolarHBondContact O-CB 3.39Å; L846-L849 PolarHBondContact O-N 2.82Å; L847-L849 VanDerWaalsContact C-N 3.33Å; L847-L849 PolarHBondContact O-N 2.82Å; L849-S853 WeakPolarHBondContact O-CB 3.09Å; L849-S853 PolarHBondContact O-N 3.39Å; L849-S853 PolarHBondContact O-OG 3.07Å |
| 850 | I | 75.5 | Confident | 70.4 | Confident | 5 Ų | 5 | 14.2 Ų | 14.2 | 3% | 0.026 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.1 | -45.5 | 175.8 | -60.4 | 159.4 | 0 | 0 | 0 | 109.4 | I775 W779 L846 L847 Q852 S853 L854 V876 F950 | I775-I850 HydrophobicContact CG2-CD1 4.31Å; I775-I850 HydrophobicContact CG2-CG1 3.8Å; W779-I850 HydrophobicContact CE3-CD1 4.4Å; L846-I850 HydrophobicContact CD2-CD1 3.36Å; L846-I850 HydrophobicContact CD2-CG1 3.9Å; L846-I850 WeakPolarHBondContact O-CG1 3.35Å; L846-I850 PolarHBondContact O-N 2.87Å; L847-I850 PolarHBondContact O-N 3.14Å; I850-Q852 PolarHBondContact O-N 2.82Å; I850-S853 PolarHBondContact O-N 2.94Å; I850-S853 PolarHBondContact O-OG 2.96Å; I850-S853 VanDerWaalsContact O-OG 3.05Å; I850-L854 HydrophobicContact CG2-CD1 3.81Å; I850-L854 HydrophobicContact CG2-CG 4.22Å; I850-L854 WeakPolarHBondContact O-CB 3.31Å; I850-L854 VanDerWaalsContact O-CG 3.25Å; I850-L854 WeakPolarHBondContact O-CG 3.44Å; I850-L854 PolarHBondContact O-N 3.25Å; I850-V876 HydrophobicContact CD1-CG1 3.96Å; I850-V876 HydrophobicContact CD1-CG2 4.37Å; I850-F950 HydrophobicContact CB-CD2 4.03Å; I850-F950 HydrophobicContact CB-CE2 4.22Å; I850-F950 HydrophobicContact CG2-CD2 3.82Å; I850-F950 HydrophobicContact CG2-CE2 3.57Å |
| 851 | G | 71.2 | Confident | 70.1 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -54.8 | -47.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | C435 L847 C848 L855 | C435-G851 VanDerWaalsContact SG-C 3.6Å; L847-G851 PolarHBondContact O-N 3.31Å; C848-G851 PolarHBondContact O-N 3.11Å; G851-L855 WeakPolarHBondContact O-CB 3.45Å; G851-L855 PolarHBondContact O-N 3.41Å; G851-L855 VanDerWaalsContact O-N 3.13Å |
| 852 | Q | 70.9 | Confident | 69.7 | Low | 22 Ų | 22 | 20 Ų | 20 | 10% | 0.103 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69.7 | -39.1 | 179.1 | -162.1 | 74.8 | 32.6 | 0 | 0 | 112.3 | M433 D434 C848 I850 L854 L855 N856 | M433-Q852 VanDerWaalsContact C-OE1 3.29Å; M433-Q852 HydrophobicContact CB-CB 3.85Å; M433-Q852 HydrophobicContact CB-CG 4.2Å; M433-Q852 HydrophobicContact CE-CB 3.71Å; M433-Q852 HydrophobicContact CE-CG 3.88Å; M433-Q852 HydrophobicContact SD-CB 4.14Å; D434-Q852 PolarHBondContact O-OE1 3.17Å; C848-Q852 WeakPolarHBondContact O-CB 3.33Å; C848-Q852 PolarHBondContact O-N 3.24Å; I850-Q852 PolarHBondContact O-N 2.82Å; Q852-L854 PolarHBondContact O-N 3.03Å; Q852-L855 CarbonylContact O-C 3.29Å; Q852-L855 PolarHBondContact O-N 3.01Å; Q852-L855 VanDerWaalsContact O-N 3.13Å; Q852-N856 PolarHBondContact NE2-OD1 3.43Å; Q852-N856 WeakPolarHBondContact O-CB 3.37Å; Q852-N856 PolarHBondContact O-N 3.25Å; Q852-N856 PolarHBondContact O-OD1 3.28Å |
| 853 | S | 71.8 | Confident | 69.1 | Low | 6 Ų | 6 | 25.5 Ų | 25.5 | 4% | 0.042 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.2 | -39.3 | 179 | 66.2 | 0 | 0 | 0 | 0 | 111.7 | L849 I850 L855 N856 L857 | L849-S853 WeakPolarHBondContact O-CB 3.09Å; L849-S853 PolarHBondContact O-N 3.39Å; L849-S853 PolarHBondContact O-OG 3.07Å; I850-S853 PolarHBondContact O-N 2.94Å; I850-S853 PolarHBondContact O-OG 2.96Å; I850-S853 VanDerWaalsContact O-OG 3.05Å; S853-L855 VanDerWaalsContact C-N 3.26Å; S853-L855 PolarHBondContact O-N 3.04Å; S853-N856 PolarHBondContact O-N 2.86Å; S853-L857 WeakPolarHBondContact O-CB 3.48Å; S853-L857 WeakPolarHBondContact O-CD1 3.43Å; S853-L857 VanDerWaalsContact O-CG 3.24Å; S853-L857 WeakPolarHBondContact O-CG 3.48Å; S853-L857 PolarHBondContact O-N 3.15Å |
| 854 | L | 72 | Confident | 68.4 | Low | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.9 | -32.8 | 170.7 | -68.5 | 172.4 | 0 | 0 | 0 | 113 | I850 Q852 P858 L873 F950 L954 F957 | I850-L854 HydrophobicContact CG2-CD1 3.81Å; I850-L854 HydrophobicContact CG2-CG 4.22Å; I850-L854 WeakPolarHBondContact O-CB 3.31Å; I850-L854 VanDerWaalsContact O-CG 3.25Å; I850-L854 WeakPolarHBondContact O-CG 3.44Å; I850-L854 PolarHBondContact O-N 3.25Å; Q852-L854 PolarHBondContact O-N 3.03Å; L854-P858 WeakPolarHBondContact O-CD 3.18Å; L854-L873 HydrophobicContact CD2-CD1 3.79Å; L854-L873 HydrophobicContact CD2-CD2 3.93Å; L854-L873 HydrophobicContact CD2-CG 4Å; L854-F950 HydrophobicContact CD1-CD2 4.49Å; L854-F950 HydrophobicContact CD1-CE2 4.13Å; L854-L954 HydrophobicContact CD1-CB 4.19Å; L854-L954 HydrophobicContact CD1-CD1 3.76Å; L854-F957 HydrophobicContact CB-CB 4.18Å; L854-F957 HydrophobicContact CD2-CB 4.5Å; L854-F957 HydrophobicContact CD2-CD1 4.4Å; L854-F957 HydrophobicContact CD2-CD2 4.45Å; L854-F957 HydrophobicContact CD2-CG 4.2Å |
| 855 | L | 69.5 | Low | 68 | Low | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -84 | -32.1 | 179.6 | -176.2 | 131.8 | 0 | 0 | 0 | 113.8 | C435 G851 Q852 S853 P858 Y956 | C435-L855 VanDerWaalsContact C-CD1 3.43Å; C435-L855 HydrophobicContact CB-CD1 3.97Å; G851-L855 WeakPolarHBondContact O-CB 3.45Å; G851-L855 PolarHBondContact O-N 3.41Å; G851-L855 VanDerWaalsContact O-N 3.13Å; Q852-L855 CarbonylContact O-C 3.29Å; Q852-L855 PolarHBondContact O-N 3.01Å; Q852-L855 VanDerWaalsContact O-N 3.13Å; S853-L855 VanDerWaalsContact C-N 3.26Å; S853-L855 PolarHBondContact O-N 3.04Å; L855-P858 WeakPolarHBondContact O-CD 3.45Å; L855-Y956 HydrophobicContact CB-CD1 4.37Å; L855-Y956 HydrophobicContact CD1-CD1 3.89Å; L855-Y956 HydrophobicContact CD1-CG 4.38Å; L855-Y956 HydrophobicContact CG-CD1 3.82Å; L855-Y956 HydrophobicContact CG-CE1 4.24Å |
| 856 | N | 67.9 | Low | 67.6 | Low | 23 Ų | 23 | 34.7 Ų | 34.7 | 12% | 0.123 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -76.6 | -33.4 | 174 | -77.5 | 32.1 | 0 | 0 | 0 | 112.3 | L762 D765 Q852 S853 P858 T859 L860 | L762-N856 PolarHBondContact O-ND2 2.82Å; D765-N856 PolarHBondContact OD1-ND2 3.33Å; Q852-N856 PolarHBondContact NE2-OD1 3.43Å; Q852-N856 WeakPolarHBondContact O-CB 3.37Å; Q852-N856 PolarHBondContact O-N 3.25Å; Q852-N856 PolarHBondContact O-OD1 3.28Å; S853-N856 PolarHBondContact O-N 2.86Å; N856-P858 VanDerWaalsContact C-N 3.34Å; N856-T859 PolarHBondContact O-N 3.25Å; N856-T859 PolarHBondContact O-OG1 3.3Å; N856-L860 HydrophobicContact CB-CD1 4.49Å; N856-L860 WeakPolarHBondContact O-CD1 3.42Å; N856-L860 PolarHBondContact O-N 3.43Å |
| 857 | L | 68.6 | Low | 66.9 | Low | 10 Ų | 10 | 39.7 Ų | 39.7 | 5% | 0.052 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -50.1 | -44.7 | 177.9 | -83 | 165.4 | 0 | 0 | 0 | 113.8 | S853 T859 L865 I866 | S853-L857 WeakPolarHBondContact O-CB 3.48Å; S853-L857 WeakPolarHBondContact O-CD1 3.43Å; S853-L857 VanDerWaalsContact O-CG 3.24Å; S853-L857 WeakPolarHBondContact O-CG 3.48Å; S853-L857 PolarHBondContact O-N 3.15Å; L857-T859 PolarHBondContact O-N 3.41Å; L857-L865 HydrophobicContact CD2-CB 4.22Å; L857-I866 HydrophobicContact CD2-CG1 4.08Å |
| 858 | P | 63.7 | Low | 66.3 | Low | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.032 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -52.8 | -38.8 | 168.2 | -35.9 | 39.5 | 0 | 0 | 0 | 117.1 | L854 L855 N856 Y956 W960 | L854-P858 WeakPolarHBondContact O-CD 3.18Å; L855-P858 WeakPolarHBondContact O-CD 3.45Å; N856-P858 VanDerWaalsContact C-N 3.34Å; P858-Y956 HydrophobicContact CB-CE1 3.77Å; P858-Y956 HydrophobicContact CG-CD1 4.16Å; P858-Y956 HydrophobicContact CG-CE1 3.86Å; P858-W960 HydrophobicContact CB-CB 4.03Å; P858-W960 HydrophobicContact CB-CD2 3.91Å; P858-W960 HydrophobicContact CB-CG 3.58Å; P858-W960 HydrophobicContact CG-CB 3.86Å; P858-W960 HydrophobicContact CG-CD2 4.03Å; P858-W960 HydrophobicContact CG-CE3 4.36Å; P858-W960 HydrophobicContact CG-CG 3.82Å; P858-W960 PolarHBondContact O-NE1 3.39Å |
| 859 | T | 61.6 | Low | 66 | Low | 76 Ų | 76 | 43.7 Ų | 43.7 | 47% | 0.466 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -76.6 | -32.9 | -173.8 | 69.5 | 0 | 0 | 0 | 0 | 111.6 | N856 L857 K861 | N856-T859 PolarHBondContact O-N 3.25Å; N856-T859 PolarHBondContact O-OG1 3.3Å; L857-T859 PolarHBondContact O-N 3.41Å; T859-K861 VanDerWaalsContact C-N 3.31Å; T859-K861 PolarHBondContact O-N 2.67Å |
| 860 | L | 63.2 | Low | 65.6 | Low | 57 Ų | 57 | 44.7 Ų | 44.7 | 30% | 0.298 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -73.1 | -19 | -179.7 | -66.3 | 156.7 | 0 | 0 | 0 | 113.6 | D765 I768 N856 S862 | D765-L860 HydrophobicContact CB-CD2 4.18Å; I768-L860 HydrophobicContact CD1-CD1 3.34Å; I768-L860 HydrophobicContact CD1-CD2 4.15Å; I768-L860 HydrophobicContact CD1-CG 4.4Å; N856-L860 HydrophobicContact CB-CD1 4.49Å; N856-L860 WeakPolarHBondContact O-CD1 3.42Å; N856-L860 PolarHBondContact O-N 3.43Å; L860-S862 PolarHBondContact O-N 2.93Å |
| 861 | K | 58.6 | Low | 65 | Low | 163 Ų | 163 | 49.7 Ų | 49.7 | 71% | 0.709 | 25% | 0.248 | S | C | * | . | trans | 56.4 | 10.3 | 179.3 | -56.9 | -179.6 | -177.2 | -179.8 | 0 | 115.4 | T859 K863 | T859-K861 VanDerWaalsContact C-N 3.31Å; T859-K861 PolarHBondContact O-N 2.67Å; K861-K863 PolarHBondContact O-N 3.26Å | ||
| 862 | S | 59 | Low | 64.7 | Low | 37 Ų | 37 | 50 Ų | 50 | 26% | 0.259 | 25% | 0.25 | S | S | . | . | trans | -86.8 | 86 | -169.7 | 51.7 | 0 | 0 | 0 | 0 | 112.3 | L860 Q864 L865 | L860-S862 PolarHBondContact O-N 2.93Å; S862-Q864 PolarHBondContact O-N 3.25Å; S862-L865 PolarHBondContact O-N 3.47Å | ||
| 863 | K | 60.4 | Low | 64.5 | Low | 116 Ų | 116 | 49.7 Ų | 49.7 | 50% | 0.504 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -47.9 | -37.2 | 179.8 | -63.6 | -177.9 | 179.2 | -178.8 | 0 | 113.9 | K861 I866 M867 F967 | K861-K863 PolarHBondContact O-N 3.26Å; K863-I866 PolarHBondContact O-N 3.49Å; K863-M867 PolarHBondContact O-N 3.07Å; K863-F967 VanDerWaalsContact NZ-CG 3.32Å |
| 864 | Q | 62 | Low | 64.3 | Low | 135 Ų | 135 | 51.5 Ų | 51.5 | 63% | 0.631 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.7 | -38.5 | 179.7 | -176.6 | 173.4 | -11.6 | 0 | 0 | 113.4 | S862 I866 M867 E868 | S862-Q864 PolarHBondContact O-N 3.25Å; Q864-I866 VanDerWaalsContact C-N 3.26Å; Q864-I866 PolarHBondContact O-N 3.43Å; Q864-M867 PolarHBondContact O-N 3.1Å; Q864-E868 HydrophobicContact CG-CG 4.3Å; Q864-E868 WeakPolarHBondContact CG-OE1 3.44Å; Q864-E868 PolarHBondContact NE2-OE1 3.46Å; Q864-E868 WeakPolarHBondContact O-CG 3.34Å; Q864-E868 PolarHBondContact O-N 3.32Å |
| 865 | L | 62.6 | Low | 64 | Low | 34 Ų | 34 | 52.3 Ų | 52.3 | 18% | 0.178 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.4 | -27.3 | 178.6 | -88.1 | 172.2 | 0 | 0 | 0 | 112.6 | I768 L857 S862 N869 | I768-L865 HydrophobicContact CB-CD1 4.45Å; L857-L865 HydrophobicContact CD2-CB 4.22Å; S862-L865 PolarHBondContact O-N 3.47Å; L865-N869 PolarHBondContact O-ND2 2.96Å |
| 866 | I | 64.8 | Low | 63.9 | Low | 27 Ų | 27 | 52.1 Ų | 52.1 | 14% | 0.138 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.8 | -50.9 | 171.2 | -61.1 | 173.6 | 0 | 0 | 0 | 109.1 | L857 K863 Q864 E868 N869 I870 F957 W960 | L857-I866 HydrophobicContact CD2-CG1 4.08Å; K863-I866 PolarHBondContact O-N 3.49Å; Q864-I866 VanDerWaalsContact C-N 3.26Å; Q864-I866 PolarHBondContact O-N 3.43Å; I866-E868 VanDerWaalsContact C-N 3.29Å; I866-E868 PolarHBondContact O-N 2.95Å; I866-N869 CarbonylContact O-C 3.58Å; I866-N869 PolarHBondContact O-N 2.7Å; I866-I870 HydrophobicContact CG2-CD1 4.18Å; I866-I870 HydrophobicContact CG2-CG1 4.07Å; I866-I870 WeakPolarHBondContact O-CG1 3.34Å; I866-I870 PolarHBondContact O-N 3.15Å; I866-F957 HydrophobicContact CD1-CE2 4.1Å; I866-F957 HydrophobicContact CG1-CE2 4.5Å; I866-F957 HydrophobicContact CG2-CZ 4.37Å; I866-W960 HydrophobicContact CD1-CH2 3.79Å; I866-W960 HydrophobicContact CD1-CZ3 3.49Å; I866-W960 VanDerWaalsContact CD1-CZ3 3.49Å |
| 867 | M | 62.4 | Low | 63.9 | Low | 105 Ų | 105 | 51.1 Ų | 51.1 | 52% | 0.517 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.3 | -41.5 | -179.8 | -162.1 | 77.2 | 77.4 | 0 | 0 | 113 | K863 Q864 N869 I972 | K863-M867 PolarHBondContact O-N 3.07Å; Q864-M867 PolarHBondContact O-N 3.1Å; M867-N869 VanDerWaalsContact C-N 3.3Å; M867-N869 PolarHBondContact O-N 2.66Å; M867-I972 HydrophobicContact CE-CD1 3.6Å; M867-I972 HydrophobicContact CE-CG1 4.04Å; M867-I972 HydrophobicContact SD-CD1 4.08Å |
| 868 | E | 62.1 | Low | 63.9 | Low | 71 Ų | 71 | 53.4 Ų | 53.4 | 33% | 0.332 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71.8 | -18.8 | 179.4 | -72 | 176.5 | -173.4 | 0 | 0 | 113.9 | Q864 I866 | Q864-E868 HydrophobicContact CG-CG 4.3Å; Q864-E868 WeakPolarHBondContact CG-OE1 3.44Å; Q864-E868 PolarHBondContact NE2-OE1 3.46Å; Q864-E868 WeakPolarHBondContact O-CG 3.34Å; Q864-E868 PolarHBondContact O-N 3.32Å; I866-E868 VanDerWaalsContact C-N 3.29Å; I866-E868 PolarHBondContact O-N 2.95Å |
| 869 | N | 64.4 | Low | 64 | Low | 14 Ų | 14 | 56.3 Ų | 56.3 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -124.6 | 8.5 | -172.6 | -60.8 | -84.7 | 0 | 0 | 0 | 114.6 | L772 L865 I866 M867 N871 L872 L873 | L772-N869 HydrophobicContact CD1-CB 3.99Å; L865-N869 PolarHBondContact O-ND2 2.96Å; I866-N869 CarbonylContact O-C 3.58Å; I866-N869 PolarHBondContact O-N 2.7Å; M867-N869 VanDerWaalsContact C-N 3.3Å; M867-N869 PolarHBondContact O-N 2.66Å; N869-N871 PolarHBondContact O-N 2.94Å; N869-L872 WeakPolarHBondContact O-CB 3.49Å; N869-L872 PolarHBondContact O-N 2.96Å; N869-L873 PolarHBondContact O-N 2.88Å |
| 870 | I | 65.1 | Low | 64.2 | Low | 22 Ų | 22 | 52.7 Ų | 52.7 | 11% | 0.113 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.1 | -38.2 | 174 | -85.9 | 163.2 | 0 | 0 | 0 | 111.6 | I866 L872 L873 T874 I976 | I866-I870 HydrophobicContact CG2-CD1 4.18Å; I866-I870 HydrophobicContact CG2-CG1 4.07Å; I866-I870 WeakPolarHBondContact O-CG1 3.34Å; I866-I870 PolarHBondContact O-N 3.15Å; I870-L872 VanDerWaalsContact C-N 3.29Å; I870-L872 PolarHBondContact O-N 3.27Å; I870-L873 WeakPolarHBondContact O-CA 3.34Å; I870-L873 VanDerWaalsContact O-CB 3.26Å; I870-L873 WeakPolarHBondContact O-CB 3.4Å; I870-L873 PolarHBondContact O-N 3.37Å; I870-T874 PolarHBondContact O-N 3.44Å; I870-T874 PolarHBondContact O-OG1 3.23Å; I870-T874 VanDerWaalsContact O-OG1 3.1Å; I870-I976 HydrophobicContact CD1-CD1 4.32Å; I870-I976 HydrophobicContact CD1-CG1 4.48Å |
| 871 | N | 63 | Low | 64.4 | Low | 109 Ų | 109 | 53.8 Ų | 53.8 | 58% | 0.583 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60 | -35.1 | -179.9 | -68.1 | -30.2 | 0 | 0 | 0 | 113.6 | N869 T874 S875 | N869-N871 PolarHBondContact O-N 2.94Å; N871-T874 PolarHBondContact O-N 3.11Å; N871-S875 WeakPolarHBondContact O-CB 3.27Å; N871-S875 PolarHBondContact O-N 3.1Å; N871-S875 PolarHBondContact O-OG 2.88Å |
| 872 | L | 64.2 | Low | 64.7 | Low | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.2 | -43.3 | 173.8 | 171.1 | 167.6 | 0 | 0 | 0 | 110.8 | L772 E776 N869 I870 T874 S875 V876 | L772-L872 HydrophobicContact CB-CD1 3.74Å; L772-L872 HydrophobicContact CD2-CD1 4.04Å; L772-L872 HydrophobicContact CG-CD1 4.48Å; L772-L872 WeakPolarHBondContact O-CD1 3.32Å; E776-L872 HydrophobicContact CB-CB 4.4Å; E776-L872 HydrophobicContact CB-CD1 3.95Å; E776-L872 HydrophobicContact CB-CG 3.92Å; E776-L872 HydrophobicContact CG-CB 4.47Å; E776-L872 HydrophobicContact CG-CG 4.35Å; N869-L872 WeakPolarHBondContact O-CB 3.49Å; N869-L872 PolarHBondContact O-N 2.96Å; I870-L872 VanDerWaalsContact C-N 3.29Å; I870-L872 PolarHBondContact O-N 3.27Å; L872-T874 VanDerWaalsContact C-N 3.31Å; L872-T874 PolarHBondContact O-N 3.36Å; L872-S875 WeakPolarHBondContact CA-OG 3.39Å; L872-S875 PolarHBondContact O-N 3.05Å; L872-S875 PolarHBondContact O-OG 3.36Å; L872-V876 HydrophobicContact CD2-CG2 4.03Å; L872-V876 HydrophobicContact CG-CG2 4.41Å; L872-V876 VanDerWaalsContact O-CB 3.29Å; L872-V876 WeakPolarHBondContact O-CB 3.45Å; L872-V876 VanDerWaalsContact O-CG2 3.23Å; L872-V876 WeakPolarHBondContact O-CG2 3.45Å; L872-V876 PolarHBondContact O-N 3.35Å |
| 873 | L | 67.2 | Low | 65.1 | Low | 14 Ų | 14 | 46.1 Ų | 46.1 | 7% | 0.073 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.7 | -46.9 | 176 | -116.5 | 165 | 0 | 0 | 0 | 109.6 | L854 N869 I870 L877 L954 F957 L979 | L854-L873 HydrophobicContact CD2-CD1 3.79Å; L854-L873 HydrophobicContact CD2-CD2 3.93Å; L854-L873 HydrophobicContact CD2-CG 4Å; N869-L873 PolarHBondContact O-N 2.88Å; I870-L873 WeakPolarHBondContact O-CA 3.34Å; I870-L873 VanDerWaalsContact O-CB 3.26Å; I870-L873 WeakPolarHBondContact O-CB 3.4Å; I870-L873 PolarHBondContact O-N 3.37Å; L873-L877 HydrophobicContact CD2-CD1 3.71Å; L873-L877 HydrophobicContact CD2-CG 4.28Å; L873-L877 WeakPolarHBondContact O-CB 3.26Å; L873-L877 WeakPolarHBondContact O-CD1 3.28Å; L873-L877 WeakPolarHBondContact O-CG 3.44Å; L873-L877 PolarHBondContact O-N 3.46Å; L873-L954 HydrophobicContact CD2-CD1 4.4Å; L873-F957 HydrophobicContact CD1-CE1 4.04Å; L873-F957 HydrophobicContact CD1-CZ 4.09Å; L873-L979 HydrophobicContact CB-CD1 4.21Å; L873-L979 HydrophobicContact CB-CD2 4.45Å |
| 874 | T | 68.5 | Low | 65.7 | Low | 44 Ų | 44 | 40.7 Ų | 40.7 | 27% | 0.27 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.2 | -52 | 173.3 | -44 | 0 | 0 | 0 | 0 | 112 | I870 N871 L872 V876 L877 N878 L979 | I870-T874 PolarHBondContact O-N 3.44Å; I870-T874 PolarHBondContact O-OG1 3.23Å; I870-T874 VanDerWaalsContact O-OG1 3.1Å; N871-T874 PolarHBondContact O-N 3.11Å; L872-T874 VanDerWaalsContact C-N 3.31Å; L872-T874 PolarHBondContact O-N 3.36Å; T874-V876 VanDerWaalsContact C-N 3.3Å; T874-V876 PolarHBondContact O-N 3.22Å; T874-L877 PolarHBondContact O-N 3.39Å; T874-N878 VanDerWaalsContact CG2-OD1 3.24Å; T874-N878 WeakPolarHBondContact CG2-OD1 3.37Å; T874-N878 VanDerWaalsContact O-CB 3.24Å; T874-N878 WeakPolarHBondContact O-CB 3.37Å; T874-N878 PolarHBondContact O-N 2.88Å; T874-N878 PolarHBondContact O-OD1 3.18Å; T874-L979 WeakPolarHBondContact OG1-CD1 3.27Å |
| 875 | S | 66.1 | Low | 66.1 | Low | 22 Ų | 22 | 34.2 Ų | 34.2 | 15% | 0.154 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.7 | -32.1 | -175.9 | 70.9 | 0 | 0 | 0 | 0 | 113 | E776 N871 L872 N879 | E776-S875 WeakPolarHBondContact CG-OG 3.38Å; E776-S875 WeakPolarHBondContact OE1-CB 3.48Å; E776-S875 PolarHBondContact OE1-OG 3.32Å; N871-S875 WeakPolarHBondContact O-CB 3.27Å; N871-S875 PolarHBondContact O-N 3.1Å; N871-S875 PolarHBondContact O-OG 2.88Å; L872-S875 WeakPolarHBondContact CA-OG 3.39Å; L872-S875 PolarHBondContact O-N 3.05Å; L872-S875 PolarHBondContact O-OG 3.36Å; S875-N879 PolarHBondContact O-ND2 2.9Å |
| 876 | V | 67.2 | Low | 66.4 | Low | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.1 | -51.2 | 172.5 | 167.8 | 0 | 0 | 0 | 0 | 111.4 | W779 I850 L872 T874 | W779-V876 HydrophobicContact CG-CG2 4.13Å; W779-V876 HydrophobicContact CZ2-CG1 4.31Å; W779-V876 PolarHBondContact NE1-O 3.07Å; I850-V876 HydrophobicContact CD1-CG1 3.96Å; I850-V876 HydrophobicContact CD1-CG2 4.37Å; L872-V876 HydrophobicContact CD2-CG2 4.03Å; L872-V876 HydrophobicContact CG-CG2 4.41Å; L872-V876 VanDerWaalsContact O-CB 3.29Å; L872-V876 WeakPolarHBondContact O-CB 3.45Å; L872-V876 VanDerWaalsContact O-CG2 3.23Å; L872-V876 WeakPolarHBondContact O-CG2 3.45Å; L872-V876 PolarHBondContact O-N 3.35Å; T874-V876 VanDerWaalsContact C-N 3.3Å; T874-V876 PolarHBondContact O-N 3.22Å |
| 877 | L | 67.7 | Low | 66.7 | Low | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.9 | -53.3 | -175.7 | -65 | 167.1 | 0 | 0 | 0 | 111.3 | L873 T874 N879 S880 R886 F950 L954 L979 C983 L986 | L873-L877 HydrophobicContact CD2-CD1 3.71Å; L873-L877 HydrophobicContact CD2-CG 4.28Å; L873-L877 WeakPolarHBondContact O-CB 3.26Å; L873-L877 WeakPolarHBondContact O-CD1 3.28Å; L873-L877 WeakPolarHBondContact O-CG 3.44Å; L873-L877 PolarHBondContact O-N 3.46Å; T874-L877 PolarHBondContact O-N 3.39Å; L877-N879 PolarHBondContact O-N 2.91Å; L877-N879 VanDerWaalsContact O-N 3.16Å; L877-S880 WeakPolarHBondContact O-CB 3.34Å; L877-S880 PolarHBondContact O-N 2.93Å; L877-S880 PolarHBondContact O-OG 2.8Å; L877-R886 PolarHBondContact O-NH2 2.94Å; L877-F950 HydrophobicContact CD2-CZ 4.42Å; L877-L954 HydrophobicContact CD2-CD1 4.33Å; L877-L954 HydrophobicContact CD2-CD2 4.49Å; L877-L979 HydrophobicContact CD1-CD1 3.77Å; L877-L979 HydrophobicContact CD1-CG 4.1Å; L877-C983 WeakPolarHBondContact CD1-SG 3.35Å; L877-L986 HydrophobicContact CB-CD1 4.31Å; L877-L986 HydrophobicContact CD2-CD1 3.38Å; L877-L986 HydrophobicContact CG-CD1 4.42Å |
| 878 | N | 68.3 | Low | 66.8 | Low | 57 Ų | 57 | 30 Ų | 30 | 31% | 0.305 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.2 | -28.4 | -174 | -73.4 | 63.8 | 0 | 0 | 0 | 113.9 | T874 H881 E982 | T874-N878 VanDerWaalsContact CG2-OD1 3.24Å; T874-N878 WeakPolarHBondContact CG2-OD1 3.37Å; T874-N878 VanDerWaalsContact O-CB 3.24Å; T874-N878 WeakPolarHBondContact O-CB 3.37Å; T874-N878 PolarHBondContact O-N 2.88Å; T874-N878 PolarHBondContact O-OD1 3.18Å; N878-H881 PolarHBondContact O-CD2 2.98Å; N878-H881 VanDerWaalsContact O-CD2 3.23Å; N878-E982 WeakPolarHBondContact CA-OE2 3.04Å; N878-E982 VanDerWaalsContact CG-OE1 3.24Å; N878-E982 PolarHBondContact ND2-OE1 2.98Å; N878-E982 PolarHBondContact OD1-OE1 3.41Å |
| 879 | N | 64.7 | Low | 66.8 | Low | 66 Ų | 66 | 29.7 Ų | 29.7 | 35% | 0.353 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -2.9 | 179.7 | -64.4 | -69.4 | 0 | 0 | 0 | 113.8 | L783 S875 L877 H881 | L783-N879 HydrophobicContact CD1-CB 3.44Å; L783-N879 VanDerWaalsContact CD1-CB 3.44Å; L783-N879 HydrophobicContact CD2-CB 4.35Å; L783-N879 VanDerWaalsContact CD2-O 3.31Å; L783-N879 WeakPolarHBondContact CD2-O 3.21Å; S875-N879 PolarHBondContact O-ND2 2.9Å; L877-N879 PolarHBondContact O-N 2.91Å; L877-N879 VanDerWaalsContact O-N 3.16Å; N879-H881 PolarHBondContact O-N 3.17Å |
| 880 | S | 67 | Low | 66.4 | Low | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -69.2 | -11.1 | -172.6 | 63.6 | 0 | 0 | 0 | 0 | 116 | L877 S882 I883 I884 | L877-S880 WeakPolarHBondContact O-CB 3.34Å; L877-S880 PolarHBondContact O-N 2.93Å; L877-S880 PolarHBondContact O-OG 2.8Å; S880-S882 PolarHBondContact O-N 3.48Å; S880-I883 PolarHBondContact O-N 3.48Å; S880-I884 PolarHBondContact O-N 2.94Å |
| 881 | H | 66.1 | Low | 65.8 | Low | 80 Ų | 80 | 35.8 Ų | 35.8 | 37% | 0.37 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -53.8 | -28.9 | -169.8 | -69.5 | -84 | 0 | 0 | 0 | 115.9 | N878 N879 R886 N903 C905 | N878-H881 PolarHBondContact O-CD2 2.98Å; N878-H881 VanDerWaalsContact O-CD2 3.23Å; N879-H881 PolarHBondContact O-N 3.17Å; H881-R886 PolarHBondContact CE1-NE 3.41Å; H881-R886 PolarHBondContact CE1-NH1 2.65Å; H881-N903 PolarHBondContact O-ND2 3.49Å; H881-C905 PolarHBondContact O-SG 3.47Å |
| 882 | S | 65 | Low | 65.2 | Low | 39 Ų | 39 | 34 Ų | 34 | 27% | 0.273 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -84.2 | -21.9 | 178.3 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | N787 S880 Y906 | N787-S882 VanDerWaalsContact OD1-CB 3.26Å; N787-S882 WeakPolarHBondContact OD1-CB 3.46Å; N787-S882 PolarHBondContact OD1-OG 3.09Å; S880-S882 PolarHBondContact O-N 3.48Å; S882-Y906 WeakPolarHBondContact O-CB 3.27Å; S882-Y906 PolarHBondContact O-N 2.92Å |
| 883 | I | 67.6 | Low | 64.5 | Low | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | -51.4 | -175.3 | -55.7 | 178.7 | 0 | 0 | 0 | 110.9 | W779 L783 L786 L843 S880 L907 | W779-I883 HydrophobicContact CH2-CD1 3.96Å; W779-I883 HydrophobicContact CZ2-CD1 4.21Å; W779-I883 HydrophobicContact CZ3-CD1 4.41Å; L783-I883 HydrophobicContact CD2-CD1 3.7Å; L783-I883 HydrophobicContact CD2-CG1 4.26Å; L783-I883 HydrophobicContact CG-CD1 4.31Å; L786-I883 HydrophobicContact CD1-CD1 3.79Å; L786-I883 HydrophobicContact CD1-CG1 3.9Å; L843-I883 HydrophobicContact CD1-CG2 4.27Å; L843-I883 HydrophobicContact CD2-CG2 3.92Å; S880-I883 PolarHBondContact O-N 3.48Å; I883-L907 PolarHBondContact O-N 2.72Å |
| 884 | I | 73.6 | Confident | 63.7 | Low | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -105.9 | 132.2 | -164.7 | -58.2 | -176.3 | 0 | 0 | 0 | 110.9 | W779 L847 S880 R886 C905 Y947 F950 L986 | W779-I884 HydrophobicContact CH2-CD1 4.3Å; L847-I884 HydrophobicContact CD2-CD1 4.1Å; S880-I884 PolarHBondContact O-N 2.94Å; I884-R886 PolarHBondContact O-N 3.37Å; I884-C905 PolarHBondContact O-SG 3.05Å; I884-Y947 HydrophobicContact CG2-CD2 4.26Å; I884-Y947 HydrophobicContact CG2-CE2 3.38Å; I884-F950 HydrophobicContact CD1-CD1 4.27Å; I884-F950 HydrophobicContact CD1-CE1 3.78Å; I884-L986 HydrophobicContact CB-CD2 4.03Å; I884-L986 HydrophobicContact CG2-CD2 3.48Å; I884-L986 VanDerWaalsContact CG2-CD2 3.48Å |
| 885 | P | 70.2 | Confident | 62.6 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 118.1 | 177.7 | 27.1 | -36 | 0 | 0 | 0 | 112.4 | L902 I908 Y947 F993 | P885-L902 HydrophobicContact CB-CD2 4.38Å; P885-I908 HydrophobicContact CB-CD1 3.67Å; P885-I908 HydrophobicContact CB-CG1 4.22Å; P885-Y947 HydrophobicContact CG-CE1 4.05Å; P885-Y947 WeakPolarHBondContact CG-OH 3.28Å; P885-F993 HydrophobicContact CG-CB 4.44Å; P885-F993 HydrophobicContact CG-CG 4.45Å |
| 886 | R | 69.4 | Low | 61.6 | Low | 7 Ų | 7 | 50 Ų | 50 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -100 | 150.7 | 163.3 | -68 | -159.4 | -169.9 | -168.7 | 4.9 | 110.8 | L877 H881 I884 N903 E982 E985 L986 | L877-R886 PolarHBondContact O-NH2 2.94Å; H881-R886 PolarHBondContact CE1-NE 3.41Å; H881-R886 PolarHBondContact CE1-NH1 2.65Å; I884-R886 PolarHBondContact O-N 3.37Å; R886-N903 PolarHBondContact O-N 2.63Å; R886-N903 VanDerWaalsContact O-N 3.08Å; R886-E982 IonicContact CZ-OE2 3.37Å; R886-E982 IonicContact NH1-OE2 3.68Å; R886-E982 PolarHBondContact NH1-OE2 3.11Å; R886-E982 IonicContact NH2-OE2 2.97Å; R886-E982 PolarHBondContact NH2-OE2 3.15Å; R886-E985 VanDerWaalsContact CD-OE2 3.29Å; R886-E985 WeakPolarHBondContact CD-OE2 3.47Å; R886-E985 IonicContact CZ-OE2 2.85Å; R886-E985 IonicContact NE-OE2 3.66Å; R886-E985 IonicContact NH1-OE2 2.66Å; R886-E985 PolarHBondContact NH1-OE2 2.82Å; R886-L986 HydrophobicContact CG-CD2 3.58Å; R886-L986 HydrophobicContact CG-CG 3.96Å |
| 887 | M | 70.3 | Confident | 60.7 | Low | 29 Ų | 29 | 55.5 Ų | 55.5 | 14% | 0.143 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 130.8 | 173.5 | -175.9 | 178.3 | 69.8 | 0 | 0 | 110.9 | I889 F900 E985 H988 V992 | M887-I889 HydrophobicContact CE-CD1 4.23Å; M887-I889 HydrophobicContact CE-CG1 4.37Å; M887-F900 HydrophobicContact CG-CD1 4.22Å; M887-F900 HydrophobicContact SD-CD1 3.51Å; M887-F900 VanDerWaalsContact SD-CD1 3.51Å; M887-F900 HydrophobicContact SD-CE1 3.81Å; M887-E985 PolarHBondContact N-O 2.92Å; M887-H988 HydrophobicContact CB-CB 4.18Å; M887-H988 HydrophobicContact CE-CB 3.95Å; M887-H988 HydrophobicContact SD-CB 3.85Å; M887-V992 HydrophobicContact SD-CG2 4.41Å |
| 888 | V | 65.9 | Low | 59.8 | Low | 42 Ų | 42 | 57.8 Ų | 57.8 | 26% | 0.255 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 121.8 | 175.4 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | N890 G901 N903 P919 | V888-N890 PolarHBondContact O-N 2.66Å; V888-G901 PolarHBondContact N-O 3.06Å; V888-G901 CarbonylContact O-C 3.57Å; V888-G901 WeakPolarHBondContact O-CA 3.34Å; V888-G901 PolarHBondContact O-N 3.12Å; V888-N903 HydrophobicContact CG2-CB 3.79Å; V888-P919 HydrophobicContact CG1-CB 4.4Å |
| 889 | I | 61.4 | Low | 59.2 | Low | 63 Ų | 63 | 55.7 Ų | 55.7 | 32% | 0.323 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 99.2 | -178.5 | -58.4 | 165.9 | 0 | 0 | 0 | 108.5 | M887 L898 F1081 | M887-I889 HydrophobicContact CE-CD1 4.23Å; M887-I889 HydrophobicContact CE-CG1 4.37Å; I889-L898 HydrophobicContact CG2-CD2 3.66Å; I889-F1081 HydrophobicContact CD1-CB 4Å; I889-F1081 HydrophobicContact CD1-CD1 3.5Å; I889-F1081 VanDerWaalsContact CD1-CD1 3.5Å; I889-F1081 HydrophobicContact CD1-CD2 4.44Å; I889-F1081 HydrophobicContact CD1-CE1 4.09Å; I889-F1081 HydrophobicContact CD1-CG 3.71Å; I889-F1081 HydrophobicContact CG2-CD2 4.25Å; I889-F1081 HydrophobicContact CG2-CG 4.48Å |
| 890 | N | 56.8 | Low | 58.9 | Low | 38 Ų | 38 | 53.5 Ų | 53.5 | 20% | 0.203 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 134.4 | 179.4 | -74.1 | -56.9 | 0 | 0 | 0 | 111.8 | V888 T899 P919 N921 | V888-N890 PolarHBondContact O-N 2.66Å; N890-T899 PolarHBondContact N-O 2.98Å; N890-T899 PolarHBondContact O-N 3.04Å; N890-T899 PolarHBondContact O-OG1 3.35Å; N890-P919 VanDerWaalsContact ND2-CG 3.27Å; N890-P919 WeakPolarHBondContact ND2-CG 3.38Å; N890-N921 WeakPolarHBondContact CB-ND2 3.42Å; N890-N921 WeakPolarHBondContact CB-OD1 3.49Å; N890-N921 PolarHBondContact ND2-ND2 3.42Å; N890-N921 PolarHBondContact ND2-OD1 2.79Å |
| 891 | Q | 52.4 | Low | 58.7 | Low | 127 Ų | 127 | 53.5 Ų | 53.5 | 59% | 0.593 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 97.5 | 168.6 | -65.7 | -176 | 11 | 0 | 0 | 108.8 | G893 L898 | Q891-G893 PolarHBondContact O-N 2.96Å; Q891-G893 VanDerWaalsContact O-N 3.12Å; Q891-L898 HydrophobicContact CG-CD2 3.78Å |
| 892 | N | 49.8 | Very low | 58.7 | Low | 70 Ų | 70 | 49.7 Ų | 49.7 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | trans | -65.5 | 111.3 | 174.5 | -89.4 | -13.2 | 0 | 0 | 0 | 109.9 | Q894 S895 | N892-Q894 PolarHBondContact O-N 3.44Å; N892-S895 WeakPolarHBondContact CB-OG 3.09Å; N892-S895 CarbonylContact O-C 3.55Å; N892-S895 PolarHBondContact O-N 3.39Å | ||
| 893 | G | 49.2 | Very low | 59 | Low | 88 Ų | 88 | 50 Ų | 50 | 91% | 0.907 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 1.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q891 | Q891-G893 PolarHBondContact O-N 2.96Å; Q891-G893 VanDerWaalsContact O-N 3.12Å |
| 894 | Q | 50.3 | Low | 58.6 | Low | 204 Ų | 204 | 50.9 Ų | 50.9 | 95% | 0.953 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | -8.3 | 173.6 | -63.8 | -172.8 | 0.8 | 0 | 0 | 113.9 | N892 | N892-Q894 PolarHBondContact O-N 3.44Š|
| 895 | S | 45.1 | Very low | 58.3 | Low | 49 Ų | 49 | 50.9 Ų | 50.9 | 34% | 0.343 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -144.8 | 113.8 | -179.2 | 59 | 0 | 0 | 0 | 0 | 109.3 | N892 Q897 | N892-S895 WeakPolarHBondContact CB-OG 3.09Å; N892-S895 CarbonylContact O-C 3.55Å; N892-S895 PolarHBondContact O-N 3.39Å; S895-Q897 PolarHBondContact O-N 3.23Å |
| 896 | S | 46.5 | Very low | 58.1 | Low | 84 Ų | 84 | 54.2 Ų | 54.2 | 59% | 0.587 | 30% | 0.304 | S | S | * | . | trans | -75.4 | 41.4 | -178.7 | 66.5 | 0 | 0 | 0 | 0 | 113.8 | S1076 | S896-S1076 WeakPolarHBondContact OG-CB 3.49Š| ||
| 897 | Q | 48 | Very low | 58 | Low | 119 Ų | 119 | 53.9 Ų | 53.9 | 56% | 0.556 | 30% | 0.303 | S | S | * | . | trans | -106.6 | 125.5 | 169.2 | -71.1 | -178.1 | -31.7 | 0 | 0 | 107.5 | S895 T899 | S895-Q897 PolarHBondContact O-N 3.23Å; Q897-T899 PolarHBondContact O-N 3.31Å | ||
| 898 | L | 49.3 | Very low | 57.8 | Low | 49 Ų | 49 | 52.6 Ų | 52.6 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 109.7 | 175.4 | -74.6 | 145.6 | 0 | 0 | 0 | 108.5 | I889 Q891 T1078 F1081 | I889-L898 HydrophobicContact CG2-CD2 3.66Å; Q891-L898 HydrophobicContact CG-CD2 3.78Å; L898-T1078 HydrophobicContact CD1-CG2 4.22Å; L898-T1078 HydrophobicContact CD2-CG2 4.43Å; L898-T1078 HydrophobicContact CG-CG2 4.38Å; L898-F1081 HydrophobicContact CB-CE2 4.16Å; L898-F1081 HydrophobicContact CD1-CD2 3.91Å; L898-F1081 HydrophobicContact CD1-CE2 3.97Å; L898-F1081 HydrophobicContact CD2-CD2 4.22Å; L898-F1081 HydrophobicContact CG-CD2 4.47Å; L898-F1081 HydrophobicContact CG-CE2 4.46Å |
| 899 | T | 55.7 | Low | 57.8 | Low | 14 Ų | 14 | 52.5 Ų | 52.5 | 9% | 0.086 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.6 | 179.2 | 57.9 | 0 | 0 | 0 | 0 | 109.6 | N890 Q897 G901 F922 | N890-T899 PolarHBondContact N-O 2.98Å; N890-T899 PolarHBondContact O-N 3.04Å; N890-T899 PolarHBondContact O-OG1 3.35Å; Q897-T899 PolarHBondContact O-N 3.31Å; T899-G901 PolarHBondContact O-N 3.3Å; T899-F922 HydrophobicContact CG2-CD2 4.12Å; T899-F922 HydrophobicContact CG2-CE2 3.81Å |
| 900 | F | 58.4 | Low | 57.8 | Low | 20 Ų | 20 | 51.7 Ų | 51.7 | 9% | 0.088 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 102.3 | 167.3 | -64.6 | -73.7 | 0 | 0 | 0 | 108.9 | M887 V992 F1081 L1105 | M887-F900 HydrophobicContact CG-CD1 4.22Å; M887-F900 HydrophobicContact SD-CD1 3.51Å; M887-F900 VanDerWaalsContact SD-CD1 3.51Å; M887-F900 HydrophobicContact SD-CE1 3.81Å; F900-V992 HydrophobicContact CB-CG2 4.41Å; F900-F1081 AromaticContact CE1-CE1 3.78Å; F900-F1081 HydrophobicContact CE1-CE1 3.78Å; F900-F1081 AromaticContact CE1-CZ 3.63Å; F900-F1081 HydrophobicContact CE1-CZ 3.63Å; F900-F1081 HydrophobicContact CZ-CE1 4.06Å; F900-F1081 AromaticContact CZ-CZ 3.57Å; F900-F1081 HydrophobicContact CZ-CZ 3.57Å; F900-L1105 HydrophobicContact CD2-CD2 3.99Å; F900-L1105 HydrophobicContact CE2-CD2 4.46Å |
| 901 | G | 61.8 | Low | 58.1 | Low | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 169.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V888 T899 I920 N921 | V888-G901 PolarHBondContact N-O 3.06Å; V888-G901 CarbonylContact O-C 3.57Å; V888-G901 WeakPolarHBondContact O-CA 3.34Å; V888-G901 PolarHBondContact O-N 3.12Å; T899-G901 PolarHBondContact O-N 3.3Å; G901-I920 WeakPolarHBondContact CA-O 3.48Å; G901-N921 WeakPolarHBondContact CA-OD1 3.32Å |
| 902 | L | 65.8 | Low | 58.4 | Low | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 144.5 | 169.2 | -64.1 | 172.8 | 0 | 0 | 0 | 110 | P885 I908 P919 I920 V992 F993 | P885-L902 HydrophobicContact CB-CD2 4.38Å; L902-I908 HydrophobicContact CB-CD1 3.49Å; L902-I908 VanDerWaalsContact CB-CD1 3.49Å; L902-I908 HydrophobicContact CD1-CD1 3.77Å; L902-I908 HydrophobicContact CG-CD1 4.21Å; L902-P919 CarbonylContact O-C 3.47Å; L902-P919 WeakPolarHBondContact O-CA 3.39Å; L902-P919 WeakPolarHBondContact O-CB 3.44Å; L902-I920 PolarHBondContact N-O 3.34Å; L902-I920 PolarHBondContact O-N 3.35Å; L902-V992 HydrophobicContact CD1-CG1 4.22Å; L902-V992 HydrophobicContact CD2-CB 3.91Å; L902-V992 HydrophobicContact CD2-CG1 3.65Å; L902-V992 HydrophobicContact CG-CG1 3.85Å; L902-F993 HydrophobicContact CD1-CB 3.84Å; L902-F993 HydrophobicContact CD1-CD2 3.93Å; L902-F993 HydrophobicContact CD1-CG 4.38Å |
| 903 | N | 71.5 | Confident | 58.8 | Low | 45 Ų | 45 | 48.1 Ų | 48.1 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | trans | -61.7 | 151.4 | 171.3 | -172.2 | 39.6 | 0 | 0 | 0 | 111 | H881 R886 V888 C905 I908 | H881-N903 PolarHBondContact O-ND2 3.49Å; R886-N903 PolarHBondContact O-N 2.63Å; R886-N903 VanDerWaalsContact O-N 3.08Å; V888-N903 HydrophobicContact CG2-CB 3.79Å; N903-C905 PolarHBondContact ND2-SG 3.38Å; N903-C905 PolarHBondContact O-N 3.44Å; N903-C905 VanDerWaalsContact O-N 3.1Å; N903-C905 PolarHBondContact O-SG 2.89Å; N903-I908 WeakPolarHBondContact O-CD1 3.44Å | ||
| 904 | A | 59.3 | Low | 59.1 | Low | 20 Ų | 20 | 48.1 Ų | 48.1 | 17% | 0.165 | 25% | 0.25 | C | S | . | . | trans | -72.1 | 102.9 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 905 | C | 67.4 | Low | 59.3 | Low | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | trans | -128 | 153 | -172.1 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | H881 I884 N903 L907 I908 N909 | H881-C905 PolarHBondContact O-SG 3.47Å; I884-C905 PolarHBondContact O-SG 3.05Å; N903-C905 PolarHBondContact ND2-SG 3.38Å; N903-C905 PolarHBondContact O-N 3.44Å; N903-C905 VanDerWaalsContact O-N 3.1Å; N903-C905 PolarHBondContact O-SG 2.89Å; C905-L907 VanDerWaalsContact C-N 3.31Å; C905-L907 PolarHBondContact O-N 3.16Å; C905-I908 WeakPolarHBondContact O-CB 3.49Å; C905-I908 PolarHBondContact O-N 3.14Å; C905-N909 PolarHBondContact O-N 2.92Å; C905-N909 PolarHBondContact O-OD1 3.06Å | ||
| 906 | Y | 65.1 | Low | 59.8 | Low | 69 Ų | 69 | 45.1 Ų | 45.1 | 27% | 0.271 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -52.9 | -43.6 | -176.2 | -173.5 | -87.4 | 0 | 0 | 0 | 113.8 | I839 S882 I908 N909 T910 | I839-Y906 HydrophobicContact CB-CE1 4.36Å; I839-Y906 HydrophobicContact CD1-CE1 4.19Å; I839-Y906 HydrophobicContact CD1-CE2 4.16Å; I839-Y906 WeakPolarHBondContact CD1-OH 3.39Å; I839-Y906 HydrophobicContact CG1-CE1 3.72Å; I839-Y906 WeakPolarHBondContact CG1-OH 3.44Å; I839-Y906 HydrophobicContact CG2-CE1 3.67Å; S882-Y906 WeakPolarHBondContact O-CB 3.27Å; S882-Y906 PolarHBondContact O-N 2.92Å; Y906-I908 VanDerWaalsContact C-N 3.34Å; Y906-I908 PolarHBondContact O-N 3.47Å; Y906-N909 PolarHBondContact O-N 3.12Å; Y906-T910 HydrophobicContact CD1-CG2 4.07Å; Y906-T910 HydrophobicContact CE1-CG2 3.39Å; Y906-T910 HydrophobicContact CE2-CG2 3.98Å; Y906-T910 WeakPolarHBondContact O-CB 3.46Å; Y906-T910 PolarHBondContact O-N 2.92Å; Y906-T910 PolarHBondContact O-OG1 3.35Å; Y906-T910 WeakPolarHBondContact OH-CG2 3.41Å |
| 907 | L | 67.2 | Low | 60.2 | Low | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.9 | -42.6 | 175.1 | -93.2 | 164.6 | 0 | 0 | 0 | 113 | I883 C905 T910 I911 L943 Y947 | I883-L907 PolarHBondContact O-N 2.72Å; C905-L907 VanDerWaalsContact C-N 3.31Å; C905-L907 PolarHBondContact O-N 3.16Å; L907-T910 PolarHBondContact O-OG1 3.31Å; L907-I911 HydrophobicContact CD2-CD1 4.37Å; L907-I911 WeakPolarHBondContact O-CB 3.36Å; L907-I911 VanDerWaalsContact O-CD1 3.32Å; L907-I911 WeakPolarHBondContact O-CD1 3.45Å; L907-I911 VanDerWaalsContact O-CG1 3.26Å; L907-I911 WeakPolarHBondContact O-CG1 3.3Å; L907-I911 PolarHBondContact O-N 3.01Å; L907-L943 HydrophobicContact CD2-CD2 3.89Å; L907-L943 HydrophobicContact CD2-CG 3.92Å; L907-Y947 HydrophobicContact CD1-CD1 4.03Å; L907-Y947 HydrophobicContact CD1-CD2 4.15Å; L907-Y947 HydrophobicContact CD1-CE1 4.48Å; L907-Y947 HydrophobicContact CD1-CG 3.85Å |
| 908 | I | 66.4 | Low | 60.5 | Low | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.1 | -48.6 | 178.7 | -75.9 | 173.2 | 0 | 0 | 0 | 110.1 | P885 L902 N903 C905 Y906 T910 I911 L912 I920 F993 | P885-I908 HydrophobicContact CB-CD1 3.67Å; P885-I908 HydrophobicContact CB-CG1 4.22Å; L902-I908 HydrophobicContact CB-CD1 3.49Å; L902-I908 VanDerWaalsContact CB-CD1 3.49Å; L902-I908 HydrophobicContact CD1-CD1 3.77Å; L902-I908 HydrophobicContact CG-CD1 4.21Å; N903-I908 WeakPolarHBondContact O-CD1 3.44Å; C905-I908 WeakPolarHBondContact O-CB 3.49Å; C905-I908 PolarHBondContact O-N 3.14Å; Y906-I908 VanDerWaalsContact C-N 3.34Å; Y906-I908 PolarHBondContact O-N 3.47Å; I908-T910 VanDerWaalsContact C-N 3.31Å; I908-T910 PolarHBondContact O-N 3.21Å; I908-I911 PolarHBondContact O-N 3.24Å; I908-L912 HydrophobicContact CG2-CD1 3.95Å; I908-L912 WeakPolarHBondContact O-CB 3.49Å; I908-L912 PolarHBondContact O-N 2.89Å; I908-I920 HydrophobicContact CG2-CD1 3.42Å; I908-I920 VanDerWaalsContact CG2-CD1 3.42Å; I908-F993 HydrophobicContact CG1-CD2 4.13Å; I908-F993 HydrophobicContact CG1-CE2 4.06Å |
| 909 | N | 65.8 | Low | 60.6 | Low | 40 Ų | 40 | 47.3 Ų | 47.3 | 21% | 0.214 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.3 | -35.5 | -174 | -63.6 | 8.8 | 0 | 0 | 0 | 111.4 | C905 Y906 N913 Y914 | C905-N909 PolarHBondContact O-N 2.92Å; C905-N909 PolarHBondContact O-OD1 3.06Å; Y906-N909 PolarHBondContact O-N 3.12Å; N909-N913 WeakPolarHBondContact O-CA 3.47Å; N909-N913 PolarHBondContact O-N 3.48Å; N909-Y914 VanDerWaalsContact CB-O 3.27Å; N909-Y914 WeakPolarHBondContact CB-O 3.34Å; N909-Y914 PolarHBondContact ND2-O 2.91Å; N909-Y914 PolarHBondContact O-N 3.09Å; N909-Y914 PolarHBondContact OD1-O 3.27Å |
| 910 | T | 62.8 | Low | 60.7 | Low | 47 Ų | 47 | 47.1 Ų | 47.1 | 29% | 0.288 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -75.4 | -26.3 | 176.4 | 46.4 | 0 | 0 | 0 | 0 | 115.1 | Y906 L907 I908 | Y906-T910 HydrophobicContact CD1-CG2 4.07Å; Y906-T910 HydrophobicContact CE1-CG2 3.39Å; Y906-T910 HydrophobicContact CE2-CG2 3.98Å; Y906-T910 WeakPolarHBondContact O-CB 3.46Å; Y906-T910 PolarHBondContact O-N 2.92Å; Y906-T910 PolarHBondContact O-OG1 3.35Å; Y906-T910 WeakPolarHBondContact OH-CG2 3.41Å; L907-T910 PolarHBondContact O-OG1 3.31Å; I908-T910 VanDerWaalsContact C-N 3.31Å; I908-T910 PolarHBondContact O-N 3.21Å |
| 911 | I | 62.1 | Low | 60.3 | Low | 16 Ų | 16 | 47.8 Ų | 47.8 | 8% | 0.082 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -89.7 | -35.2 | -179.8 | -67.6 | 169.6 | 0 | 0 | 0 | 111.2 | L907 I908 V940 L944 F993 | L907-I911 HydrophobicContact CD2-CD1 4.37Å; L907-I911 WeakPolarHBondContact O-CB 3.36Å; L907-I911 VanDerWaalsContact O-CD1 3.32Å; L907-I911 WeakPolarHBondContact O-CD1 3.45Å; L907-I911 VanDerWaalsContact O-CG1 3.26Å; L907-I911 WeakPolarHBondContact O-CG1 3.3Å; L907-I911 PolarHBondContact O-N 3.01Å; I908-I911 PolarHBondContact O-N 3.24Å; I911-V940 HydrophobicContact CG1-CG1 4.23Å; I911-L944 HydrophobicContact CD1-CD1 3.88Å; I911-L944 HydrophobicContact CD1-CD2 3.58Å; I911-L944 HydrophobicContact CD1-CG 3.8Å; I911-F993 HydrophobicContact CD1-CZ 3.87Å |
| 912 | L | 58.5 | Low | 59.6 | Low | 27 Ų | 27 | 55.8 Ų | 55.8 | 14% | 0.141 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -101.3 | -4.3 | -177.6 | -54.9 | -178.7 | 0 | 0 | 0 | 114.1 | I908 Y914 I920 L923 F931 | I908-L912 HydrophobicContact CG2-CD1 3.95Å; I908-L912 WeakPolarHBondContact O-CB 3.49Å; I908-L912 PolarHBondContact O-N 2.89Å; L912-Y914 VanDerWaalsContact C-N 3.25Å; L912-Y914 PolarHBondContact O-N 3.38Å; L912-I920 HydrophobicContact CD1-CD1 4.07Å; L912-L923 HydrophobicContact CD1-CD1 3.83Å; L912-F931 HydrophobicContact CD2-CZ 4.49Å |
| 913 | N | 59.4 | Low | 58.4 | Low | 117 Ų | 117 | 58.2 Ų | 58.2 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 41.8 | -171.6 | -69.4 | -46.7 | 0 | 0 | 0 | 113.1 | N909 | N909-N913 WeakPolarHBondContact O-CA 3.47Å; N909-N913 PolarHBondContact O-N 3.48Å |
| 914 | Y | 54.8 | Low | 56.9 | Low | 88 Ų | 88 | 62.4 Ų | 62.4 | 35% | 0.345 | 33% | 0.329 | S | S | . | . | trans | -103.9 | 110.5 | -175.5 | -149.2 | -112.9 | 0 | 0 | 0 | 110.3 | N909 L912 S916 I920 L923 | N909-Y914 VanDerWaalsContact CB-O 3.27Å; N909-Y914 WeakPolarHBondContact CB-O 3.34Å; N909-Y914 PolarHBondContact ND2-O 2.91Å; N909-Y914 PolarHBondContact O-N 3.09Å; N909-Y914 PolarHBondContact OD1-O 3.27Å; L912-Y914 VanDerWaalsContact C-N 3.25Å; L912-Y914 PolarHBondContact O-N 3.38Å; Y914-S916 WeakPolarHBondContact CD1-OG 3.36Å; Y914-S916 WeakPolarHBondContact CE1-OG 3.43Å; Y914-I920 HydrophobicContact CD1-CD1 3.65Å; Y914-I920 HydrophobicContact CD1-CG1 3.94Å; Y914-I920 HydrophobicContact CE1-CD1 4.2Å; Y914-I920 HydrophobicContact CE1-CG1 4.05Å; Y914-I920 HydrophobicContact CG-CD1 4.16Å; Y914-L923 HydrophobicContact CD2-CD2 4.42Å; Y914-L923 HydrophobicContact CE2-CD2 4Å | ||
| 915 | N | 54.8 | Low | 55.9 | Low | 151 Ų | 151 | 64.3 Ų | 64.3 | 81% | 0.807 | 33% | 0.334 | S | S | * | . | trans | -101 | 16.1 | -170 | -76.3 | 11.5 | 0 | 0 | 0 | 114.6 | ||||
| 916 | S | 55.2 | Low | 54.5 | Low | 38 Ų | 38 | 72.7 Ų | 72.7 | 27% | 0.266 | 37% | 0.373 | S | S | . | . | trans | -100 | 146.5 | 177.7 | 60.6 | 0 | 0 | 0 | 0 | 112.5 | Y914 E918 | Y914-S916 WeakPolarHBondContact CD1-OG 3.36Å; Y914-S916 WeakPolarHBondContact CE1-OG 3.43Å; S916-E918 PolarHBondContact O-N 3.46Å | ||
| 917 | S | 55.1 | Low | 53.1 | Low | 115 Ų | 115 | 78.1 Ų | 78.1 | 80% | 0.804 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -79.7 | 5.3 | 174.3 | 54.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 918 | E | 53.2 | Low | 51.6 | Low | 142 Ų | 142 | 80.3 Ų | 80.3 | 66% | 0.664 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -83.3 | 139.5 | 177.2 | -64.4 | -171 | 159.7 | 0 | 0 | 111.6 | S916 | S916-E918 PolarHBondContact O-N 3.46Š|
| 919 | P | 52.4 | Low | 50.1 | Low | 42 Ų | 42 | 86.1 Ų | 86.1 | 27% | 0.273 | 45% | 0.451 | S | S | . | . | trans | -67.8 | 135.5 | -179 | 28.1 | -35.1 | 0 | 0 | 0 | 111.9 | V888 N890 L902 N921 | V888-P919 HydrophobicContact CG1-CB 4.4Å; N890-P919 VanDerWaalsContact ND2-CG 3.27Å; N890-P919 WeakPolarHBondContact ND2-CG 3.38Å; L902-P919 CarbonylContact O-C 3.47Å; L902-P919 WeakPolarHBondContact O-CA 3.39Å; L902-P919 WeakPolarHBondContact O-CB 3.44Å; P919-N921 PolarHBondContact O-N 3.08Å; P919-N921 VanDerWaalsContact O-N 3.13Å | ||
| 920 | I | 57.4 | Low | 49 | Very low | 10 Ų | 10 | 88.1 Ų | 88.1 | 5% | 0.051 | 47% | 0.469 | C | S | . | . | B | Isolated β-bridge | trans | -80.4 | 101.6 | -172.9 | -54.9 | -173.3 | 0 | 0 | 0 | 109.6 | G901 L902 I908 L912 Y914 L923 | G901-I920 WeakPolarHBondContact CA-O 3.48Å; L902-I920 PolarHBondContact N-O 3.34Å; L902-I920 PolarHBondContact O-N 3.35Å; I908-I920 HydrophobicContact CG2-CD1 3.42Å; I908-I920 VanDerWaalsContact CG2-CD1 3.42Å; L912-I920 HydrophobicContact CD1-CD1 4.07Å; Y914-I920 HydrophobicContact CD1-CD1 3.65Å; Y914-I920 HydrophobicContact CD1-CG1 3.94Å; Y914-I920 HydrophobicContact CE1-CD1 4.2Å; Y914-I920 HydrophobicContact CE1-CG1 4.05Å; Y914-I920 HydrophobicContact CG-CD1 4.16Å; I920-L923 HydrophobicContact CG2-CD1 4.07Å; I920-L923 HydrophobicContact CG2-CG 4.01Å |
| 921 | N | 50.7 | Low | 48 | Very low | 33 Ų | 33 | 88.7 Ų | 88.7 | 18% | 0.176 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -93.3 | -36.1 | 177.8 | -66.2 | -33.8 | 0 | 0 | 0 | 113.6 | N890 G901 P919 | N890-N921 WeakPolarHBondContact CB-ND2 3.42Å; N890-N921 WeakPolarHBondContact CB-OD1 3.49Å; N890-N921 PolarHBondContact ND2-ND2 3.42Å; N890-N921 PolarHBondContact ND2-OD1 2.79Å; G901-N921 WeakPolarHBondContact CA-OD1 3.32Å; P919-N921 PolarHBondContact O-N 3.08Å; P919-N921 VanDerWaalsContact O-N 3.13Å |
| 922 | F | 46.8 | Very low | 47 | Very low | 168 Ų | 168 | 93.2 Ų | 93.2 | 74% | 0.737 | 49% | 0.488 | S | S | * | . | trans | -157 | 107 | 178.8 | -98.8 | -81 | 0 | 0 | 0 | 111.1 | T899 | T899-F922 HydrophobicContact CG2-CD2 4.12Å; T899-F922 HydrophobicContact CG2-CE2 3.81Å | ||
| 923 | L | 40.6 | Very low | 46 | Very low | 52 Ų | 52 | 101.5 Ų | 101.5 | 27% | 0.272 | 52% | 0.519 | S | S | . | . | trans | -86.2 | 114.7 | 162.8 | -88 | 167.7 | 0 | 0 | 0 | 109.5 | L912 Y914 I920 F925 | L912-L923 HydrophobicContact CD1-CD1 3.83Å; Y914-L923 HydrophobicContact CD2-CD2 4.42Å; Y914-L923 HydrophobicContact CE2-CD2 4Å; I920-L923 HydrophobicContact CG2-CD1 4.07Å; I920-L923 HydrophobicContact CG2-CG 4.01Å; L923-F925 VanDerWaalsContact C-N 3.27Å; L923-F925 HydrophobicContact CB-CD2 3.84Å; L923-F925 HydrophobicContact CB-CE2 3.78Å; L923-F925 HydrophobicContact CD1-CE2 4.24Å; L923-F925 WeakPolarHBondContact O-CD2 3.14Å; L923-F925 PolarHBondContact O-N 3.29Å | ||
| 924 | N | 40 | Very low | 45.2 | Very low | 133 Ų | 133 | 102.3 Ų | 102.3 | 71% | 0.711 | 52% | 0.518 | S | S | * | . | trans | -81.8 | 75.1 | -179.4 | -143.1 | -4 | 0 | 0 | 0 | 109.9 | Q926 | N924-Q926 PolarHBondContact O-N 3.34Š| ||
| 925 | F | 37.9 | Very low | 44.9 | Very low | 59 Ų | 59 | 105.1 Ų | 105.1 | 26% | 0.259 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -55.6 | -2.5 | -170.8 | -96 | -89.1 | 0 | 0 | 0 | 116.7 | L923 Q927 F931 | L923-F925 VanDerWaalsContact C-N 3.27Å; L923-F925 HydrophobicContact CB-CD2 3.84Å; L923-F925 HydrophobicContact CB-CE2 3.78Å; L923-F925 HydrophobicContact CD1-CE2 4.24Å; L923-F925 WeakPolarHBondContact O-CD2 3.14Å; L923-F925 PolarHBondContact O-N 3.29Å; F925-Q927 PolarHBondContact O-N 3.08Å; F925-F931 HydrophobicContact CE1-CD2 4.28Å; F925-F931 AromaticContact CE1-CE2 3.74Å; F925-F931 HydrophobicContact CE1-CE2 3.74Å; F925-F931 HydrophobicContact CZ-CE2 4.43Å |
| 926 | Q | 38.3 | Very low | 44.8 | Very low | 177 Ų | 177 | 100.2 Ų | 100.2 | 83% | 0.827 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -70.8 | -7.9 | 176.9 | -67.7 | -171.1 | -14.2 | 0 | 0 | 114.7 | N924 | N924-Q926 PolarHBondContact O-N 3.34Š|
| 927 | Q | 35.8 | Very low | 44.8 | Very low | 184 Ų | 184 | 100.8 Ų | 100.8 | 86% | 0.86 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -116 | -3 | -177.9 | -70 | -170.7 | -20.6 | 0 | 0 | 115.5 | F925 | F925-Q927 PolarHBondContact O-N 3.08Š|
| 928 | S | 34.7 | Very low | 45.1 | Very low | 47 Ų | 47 | 97.8 Ų | 97.8 | 33% | 0.329 | 48% | 0.483 | S | S | . | . | trans | -103.5 | 66.5 | 179.8 | 45.9 | 0 | 0 | 0 | 0 | 112.9 | S930 | S928-S930 PolarHBondContact O-N 2.69Š| ||
| 929 | T | 36.7 | Very low | 45.5 | Very low | 122 Ų | 122 | 93.3 Ų | 93.3 | 75% | 0.748 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 12.3 | 171.3 | 50 | 0 | 0 | 0 | 0 | 114.3 | H932 | T929-H932 PolarHBondContact O-CD2 3.35Š|
| 930 | S | 41.1 | Very low | 46.2 | Very low | 83 Ų | 83 | 92.3 Ų | 92.3 | 58% | 0.58 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -1.3 | -174 | 49.8 | 0 | 0 | 0 | 0 | 115.2 | S928 H932 | S928-S930 PolarHBondContact O-N 2.69Å; S930-H932 PolarHBondContact O-N 3.21Å |
| 931 | F | 41.9 | Very low | 46.7 | Very low | 58 Ų | 58 | 92.8 Ų | 92.8 | 25% | 0.254 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -63.2 | -17.6 | 168.5 | -95.7 | -84 | 0 | 0 | 0 | 113.1 | L912 F925 Y933 M1001 | L912-F931 HydrophobicContact CD2-CZ 4.49Å; F925-F931 HydrophobicContact CE1-CD2 4.28Å; F925-F931 AromaticContact CE1-CE2 3.74Å; F925-F931 HydrophobicContact CE1-CE2 3.74Å; F925-F931 HydrophobicContact CZ-CE2 4.43Å; F931-Y933 VanDerWaalsContact C-N 3.25Å; F931-Y933 PolarHBondContact O-N 3.01Å; F931-Y933 VanDerWaalsContact O-N 3.14Å; F931-M1001 HydrophobicContact CD1-CE 3.91Å; F931-M1001 HydrophobicContact CD1-SD 3.93Å; F931-M1001 HydrophobicContact CE1-CE 3.93Å; F931-M1001 HydrophobicContact CE1-SD 3.78Å; F931-M1001 HydrophobicContact CZ-SD 4.48Å |
| 932 | H | 40.8 | Very low | 47.6 | Very low | 112 Ų | 112 | 92.3 Ų | 92.3 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -69.5 | -2.1 | -176.6 | -74.8 | -61.2 | 0 | 0 | 0 | 116.8 | T929 S930 | T929-H932 PolarHBondContact O-CD2 3.35Å; S930-H932 PolarHBondContact O-N 3.21Å |
| 933 | Y | 38.3 | Very low | 48.8 | Very low | 200 Ų | 200 | 84.6 Ų | 84.6 | 78% | 0.784 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -134.2 | 0.8 | -167.9 | -89.7 | -77.8 | 0 | 0 | 0 | 118.1 | F931 | F931-Y933 VanDerWaalsContact C-N 3.25Å; F931-Y933 PolarHBondContact O-N 3.01Å; F931-Y933 VanDerWaalsContact O-N 3.14Å |
| 934 | H | 43.6 | Very low | 50.5 | Low | 134 Ų | 134 | 82.5 Ų | 82.5 | 62% | 0.62 | 41% | 0.41 | S | S | * | . | trans | -115.7 | 106.4 | 174.7 | -75.1 | -63.4 | 0 | 0 | 0 | 111.7 | H936 | H934-H936 PolarHBondContact O-N 2.87Å; H934-H936 VanDerWaalsContact O-N 3.09Å | ||
| 935 | Y | 48.5 | Very low | 52.2 | Low | 147 Ų | 147 | 76.8 Ų | 76.8 | 58% | 0.576 | 38% | 0.379 | S | S | * | . | trans | -54.1 | 113.2 | 161.9 | -63.4 | -94.6 | 0 | 0 | 0 | 108.3 | S937 L1027 | Y935-S937 PolarHBondContact O-N 3.35Å; Y935-L1027 HydrophobicContact CE1-CB 4.41Å | ||
| 936 | H | 52.2 | Low | 53.9 | Low | 48 Ų | 48 | 74.2 Ų | 74.2 | 22% | 0.222 | 37% | 0.369 | C | S | . | . | trans | -64.2 | 123.1 | 164.4 | -71.9 | -76.6 | 0 | 0 | 0 | 107.1 | H934 V940 Y941 | H934-H936 PolarHBondContact O-N 2.87Å; H934-H936 VanDerWaalsContact O-N 3.09Å; H936-V940 HydrophobicContact CB-CB 4.49Å; H936-Y941 HydrophobicContact CB-CE2 3.96Å | ||
| 937 | S | 54.8 | Low | 56 | Low | 50 Ų | 50 | 65.9 Ų | 65.9 | 35% | 0.35 | 33% | 0.329 | S | S | . | . | trans | -62.5 | 148.8 | 175.7 | 56.2 | 0 | 0 | 0 | 0 | 109.9 | Y935 N939 V940 | Y935-S937 PolarHBondContact O-N 3.35Å; S937-N939 PolarHBondContact O-N 3.32Å; S937-V940 WeakPolarHBondContact O-CB 3.24Å; S937-V940 PolarHBondContact O-N 3.48Å | ||
| 938 | T | 60.5 | Low | 58.1 | Low | 52 Ų | 52 | 57.2 Ų | 57.2 | 32% | 0.319 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -36.3 | -43.9 | 173 | 16.8 | 0 | 0 | 0 | 0 | 112.6 | V940 Y941 H942 | T938-V940 PolarHBondContact O-N 2.92Å; T938-Y941 WeakPolarHBondContact O-CB 3.42Å; T938-Y941 PolarHBondContact O-N 3.01Å; T938-Y941 VanDerWaalsContact O-N 3.14Å; T938-H942 PolarHBondContact O-CD2 2.86Å; T938-H942 PolarHBondContact O-N 3.15Å |
| 939 | N | 62.1 | Low | 60.1 | Low | 48 Ų | 48 | 55.2 Ų | 55.2 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.6 | -23.1 | -173.1 | -51.2 | 5.8 | 0 | 0 | 0 | 113.3 | H840 S937 L943 | H840-N939 HydrophobicContact CB-CB 3.67Å; H840-N939 VanDerWaalsContact CG-CB 3.47Å; H840-N939 WeakPolarHBondContact ND1-CB 3.41Å; S937-N939 PolarHBondContact O-N 3.32Å; N939-L943 WeakPolarHBondContact O-CB 3.07Å; N939-L943 PolarHBondContact O-N 3.47Å |
| 940 | V | 66.7 | Low | 62.3 | Low | 22 Ų | 22 | 49.6 Ų | 49.6 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -75.5 | -41.1 | 173.9 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | I911 H936 S937 T938 H942 L943 L944 | I911-V940 HydrophobicContact CG1-CG1 4.23Å; H936-V940 HydrophobicContact CB-CB 4.49Å; S937-V940 WeakPolarHBondContact O-CB 3.24Å; S937-V940 PolarHBondContact O-N 3.48Å; T938-V940 PolarHBondContact O-N 2.92Å; V940-H942 VanDerWaalsContact C-N 3.32Å; V940-H942 PolarHBondContact O-N 3.24Å; V940-L943 PolarHBondContact O-N 2.99Å; V940-L944 WeakPolarHBondContact O-CB 3.46Å; V940-L944 PolarHBondContact O-N 3.13Å |
| 941 | Y | 69.5 | Low | 64.3 | Low | 19 Ų | 19 | 45.6 Ų | 45.6 | 8% | 0.075 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62 | -40.8 | 171.1 | -70.1 | -73.3 | 0 | 0 | 0 | 111.3 | H936 T938 L944 I945 Q1034 L1035 L1038 | H936-Y941 HydrophobicContact CB-CE2 3.96Å; T938-Y941 WeakPolarHBondContact O-CB 3.42Å; T938-Y941 PolarHBondContact O-N 3.01Å; T938-Y941 VanDerWaalsContact O-N 3.14Å; Y941-L944 PolarHBondContact O-N 3.26Å; Y941-I945 VanDerWaalsContact O-CG1 3.31Å; Y941-I945 WeakPolarHBondContact O-CG1 3.45Å; Y941-I945 PolarHBondContact O-N 3.21Å; Y941-Q1034 HydrophobicContact CD2-CB 4.25Å; Y941-Q1034 HydrophobicContact CG-CB 4.25Å; Y941-L1035 HydrophobicContact CE1-CD1 4.4Å; Y941-L1038 HydrophobicContact CD1-CB 4.36Å; Y941-L1038 HydrophobicContact CD1-CD2 4Å; Y941-L1038 HydrophobicContact CE1-CD2 4.2Å |
| 942 | H | 67.8 | Low | 66.1 | Low | 24 Ų | 24 | 43.3 Ų | 43.3 | 11% | 0.111 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.4 | -49.9 | 174.1 | -79.1 | -70 | 0 | 0 | 0 | 112.8 | P427 T938 V940 L944 I945 S946 | P427-H942 WeakPolarHBondContact CB-NE2 3.47Å; P427-H942 VanDerWaalsContact CG-CE1 3.43Å; P427-H942 WeakPolarHBondContact CG-CE1 3.31Å; T938-H942 PolarHBondContact O-CD2 2.86Å; T938-H942 PolarHBondContact O-N 3.15Å; V940-H942 VanDerWaalsContact C-N 3.32Å; V940-H942 PolarHBondContact O-N 3.24Å; H942-L944 VanDerWaalsContact C-N 3.28Å; H942-L944 PolarHBondContact O-N 3.3Å; H942-I945 PolarHBondContact O-N 2.9Å; H942-S946 WeakPolarHBondContact O-CB 3.47Å; H942-S946 PolarHBondContact O-N 2.67Å; H942-S946 PolarHBondContact O-OG 3.42Å |
| 943 | L | 73.7 | Confident | 67.7 | Low | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.3 | -40.1 | 177 | 177.9 | 65 | 0 | 0 | 0 | 112.1 | I839 L843 P844 L847 L907 N939 V940 Y947 | I839-L943 HydrophobicContact CG2-CD2 4.2Å; L843-L943 HydrophobicContact CD2-CD1 3.93Å; L843-L943 HydrophobicContact CG-CD1 4.03Å; P844-L943 HydrophobicContact CG-CB 4.16Å; P844-L943 HydrophobicContact CG-CD1 3.87Å; L847-L943 HydrophobicContact CD1-CD1 4.29Å; L907-L943 HydrophobicContact CD2-CD2 3.89Å; L907-L943 HydrophobicContact CD2-CG 3.92Å; N939-L943 WeakPolarHBondContact O-CB 3.07Å; N939-L943 PolarHBondContact O-N 3.47Å; V940-L943 PolarHBondContact O-N 2.99Å; L943-Y947 WeakPolarHBondContact O-CB 3.28Å; L943-Y947 PolarHBondContact O-N 2.77Å |
| 944 | L | 75.8 | Confident | 69.7 | Low | 8 Ų | 8 | 28.4 Ų | 28.4 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.7 | -46.7 | 175.7 | -85.8 | 170.7 | 0 | 0 | 0 | 113.1 | I911 V940 Y941 H942 Y947 I948 F993 L998 L1038 | I911-L944 HydrophobicContact CD1-CD1 3.88Å; I911-L944 HydrophobicContact CD1-CD2 3.58Å; I911-L944 HydrophobicContact CD1-CG 3.8Å; V940-L944 WeakPolarHBondContact O-CB 3.46Å; V940-L944 PolarHBondContact O-N 3.13Å; Y941-L944 PolarHBondContact O-N 3.26Å; H942-L944 VanDerWaalsContact C-N 3.28Å; H942-L944 PolarHBondContact O-N 3.3Å; L944-Y947 PolarHBondContact O-N 3.29Å; L944-I948 WeakPolarHBondContact O-CD1 3.27Å; L944-I948 WeakPolarHBondContact O-CG1 3.31Å; L944-I948 PolarHBondContact O-N 3.24Å; L944-F993 HydrophobicContact CD2-CE1 3.78Å; L944-F993 HydrophobicContact CD2-CZ 4.3Å; L944-L998 HydrophobicContact CD1-CD2 4.18Å; L944-L998 HydrophobicContact CD2-CD1 4.18Å; L944-L998 HydrophobicContact CD2-CD2 4.2Å; L944-L1038 HydrophobicContact CB-CD1 3.74Å; L944-L1038 HydrophobicContact CD1-CD1 4.46Å; L944-L1038 HydrophobicContact CD1-CD2 3.96Å |
| 945 | I | 74.7 | Confident | 71.4 | Confident | 13 Ų | 13 | 22.3 Ų | 22.3 | 7% | 0.067 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.9 | -44.2 | 177.6 | -68 | 165.1 | 0 | 0 | 0 | 110.1 | Y941 H942 Y947 I948 N949 N1037 L1038 | Y941-I945 VanDerWaalsContact O-CG1 3.31Å; Y941-I945 WeakPolarHBondContact O-CG1 3.45Å; Y941-I945 PolarHBondContact O-N 3.21Å; H942-I945 PolarHBondContact O-N 2.9Å; I945-Y947 VanDerWaalsContact C-N 3.29Å; I945-Y947 PolarHBondContact O-N 3.05Å; I945-I948 PolarHBondContact O-N 3.34Å; I945-N949 WeakPolarHBondContact O-CB 3.48Å; I945-N949 PolarHBondContact O-N 3.09Å; I945-N949 PolarHBondContact O-OD1 3.37Å; I945-N1037 HydrophobicContact CD1-CB 4.47Å; I945-L1038 HydrophobicContact CG1-CB 4.5Å; I945-L1038 HydrophobicContact CG1-CD1 3.93Å |
| 946 | S | 75 | Confident | 72.6 | Confident | 6 Ų | 6 | 16.5 Ų | 16.5 | 4% | 0.042 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.4 | -38.7 | 174.4 | -67 | 0 | 0 | 0 | 0 | 113 | P844 C848 H942 F950 | P844-S946 WeakPolarHBondContact CB-OG 3.23Å; P844-S946 VanDerWaalsContact O-CB 3.3Å; P844-S946 WeakPolarHBondContact O-CB 3.33Å; P844-S946 PolarHBondContact O-OG 3.22Å; C848-S946 PolarHBondContact SG-OG 3.15Å; H942-S946 WeakPolarHBondContact O-CB 3.47Å; H942-S946 PolarHBondContact O-N 2.67Å; H942-S946 PolarHBondContact O-OG 3.42Å; S946-F950 WeakPolarHBondContact O-CB 3.19Å; S946-F950 PolarHBondContact O-N 3.5Å |
| 947 | Y | 81.2 | Confident | 73.7 | Confident | 1 Ų | 1 | 14.8 Ų | 14.8 | 0% | 0.004 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -67.4 | -43 | 174.9 | 171.1 | -123.6 | 0 | 0 | 0 | 112.7 | I884 P885 L907 L943 L944 I945 N949 F950 I951 C990 F993 | I884-Y947 HydrophobicContact CG2-CD2 4.26Å; I884-Y947 HydrophobicContact CG2-CE2 3.38Å; P885-Y947 HydrophobicContact CG-CE1 4.05Å; P885-Y947 WeakPolarHBondContact CG-OH 3.28Å; L907-Y947 HydrophobicContact CD1-CD1 4.03Å; L907-Y947 HydrophobicContact CD1-CD2 4.15Å; L907-Y947 HydrophobicContact CD1-CE1 4.48Å; L907-Y947 HydrophobicContact CD1-CG 3.85Å; L943-Y947 WeakPolarHBondContact O-CB 3.28Å; L943-Y947 PolarHBondContact O-N 2.77Å; L944-Y947 PolarHBondContact O-N 3.29Å; I945-Y947 VanDerWaalsContact C-N 3.29Å; I945-Y947 PolarHBondContact O-N 3.05Å; Y947-N949 VanDerWaalsContact C-N 3.34Å; Y947-F950 HydrophobicContact CD2-CD1 4.24Å; Y947-F950 HydrophobicContact CE2-CD1 4.36Å; Y947-F950 WeakPolarHBondContact O-CB 3.49Å; Y947-F950 PolarHBondContact O-N 3.24Å; Y947-I951 HydrophobicContact CD2-CG1 4.09Å; Y947-I951 HydrophobicContact CE2-CD1 3.86Å; Y947-I951 HydrophobicContact CE2-CG1 3.43Å; Y947-I951 VanDerWaalsContact CE2-CG1 3.43Å; Y947-I951 PolarHBondContact O-N 2.97Å; Y947-C990 HydrophobicContact CE1-CB 4.44Å; Y947-C990 WeakPolarHBondContact OH-CA 3.15Å; Y947-C990 WeakPolarHBondContact OH-CB 3.21Å; Y947-F993 HydrophobicContact CE1-CD1 4.43Å |
| 948 | I | 81.4 | Confident | 74.6 | Confident | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.3 | -39.6 | 176.4 | -64.7 | 157.5 | 0 | 0 | 0 | 110.6 | L944 I945 F950 I951 S952 L1038 H1041 C1042 L1045 | L944-I948 WeakPolarHBondContact O-CD1 3.27Å; L944-I948 WeakPolarHBondContact O-CG1 3.31Å; L944-I948 PolarHBondContact O-N 3.24Å; I945-I948 PolarHBondContact O-N 3.34Å; I948-F950 PolarHBondContact O-N 3.11Å; I948-I951 PolarHBondContact O-N 3.16Å; I948-S952 WeakPolarHBondContact O-CB 3.44Å; I948-S952 PolarHBondContact O-N 3.11Å; I948-L1038 HydrophobicContact CD1-CD1 3.55Å; I948-H1041 HydrophobicContact CG2-CB 3.97Å; I948-C1042 VanDerWaalsContact CD1-SG 3.52Å; I948-L1045 HydrophobicContact CG2-CB 4.42Å; I948-L1045 HydrophobicContact CG2-CD2 4.3Å |
| 949 | N | 76.2 | Confident | 75.2 | Confident | 6 Ų | 6 | 12.7 Ų | 12.7 | 3% | 0.032 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.7 | -38.8 | 175.9 | -74.7 | 22.1 | 0 | 0 | 0 | 111.9 | M433 C435 I945 Y947 S952 G953 H1041 | M433-N949 PolarHBondContact O-ND2 2.91Å; C435-N949 HydrophobicContact CB-CB 4.35Å; C435-N949 PolarHBondContact SG-O 3.21Å; I945-N949 WeakPolarHBondContact O-CB 3.48Å; I945-N949 PolarHBondContact O-N 3.09Å; I945-N949 PolarHBondContact O-OD1 3.37Å; Y947-N949 VanDerWaalsContact C-N 3.34Å; N949-S952 PolarHBondContact O-N 3.3Å; N949-G953 PolarHBondContact O-N 3.4Å; N949-H1041 PolarHBondContact OD1-CD2 2.99Å |
| 950 | F | 82 | Confident | 75.7 | Confident | 3 Ų | 3 | 12.3 Ų | 12.3 | 1% | 0.013 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -58.2 | -50.2 | 170.6 | 165.2 | -110.1 | 0 | 0 | 0 | 111.9 | L847 I850 L854 L877 I884 S946 Y947 I948 S952 G953 L954 | L847-F950 HydrophobicContact CB-CB 4.26Å; L847-F950 HydrophobicContact CD2-CB 4.4Å; L847-F950 HydrophobicContact CD2-CD1 4.21Å; L847-F950 HydrophobicContact CD2-CG 4.15Å; I850-F950 HydrophobicContact CB-CD2 4.03Å; I850-F950 HydrophobicContact CB-CE2 4.22Å; I850-F950 HydrophobicContact CG2-CD2 3.82Å; I850-F950 HydrophobicContact CG2-CE2 3.57Å; L854-F950 HydrophobicContact CD1-CD2 4.49Å; L854-F950 HydrophobicContact CD1-CE2 4.13Å; L877-F950 HydrophobicContact CD2-CZ 4.42Å; I884-F950 HydrophobicContact CD1-CD1 4.27Å; I884-F950 HydrophobicContact CD1-CE1 3.78Å; S946-F950 WeakPolarHBondContact O-CB 3.19Å; S946-F950 PolarHBondContact O-N 3.5Å; Y947-F950 HydrophobicContact CD2-CD1 4.24Å; Y947-F950 HydrophobicContact CE2-CD1 4.36Å; Y947-F950 WeakPolarHBondContact O-CB 3.49Å; Y947-F950 PolarHBondContact O-N 3.24Å; I948-F950 PolarHBondContact O-N 3.11Å; F950-S952 PolarHBondContact O-N 3.1Å; F950-G953 PolarHBondContact O-N 3Å; F950-L954 WeakPolarHBondContact O-CB 3.4Å; F950-L954 PolarHBondContact O-N 3.01Å |
| 951 | I | 83.3 | Confident | 75.7 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -68.1 | -33.1 | -179.9 | -64.5 | -66.2 | 0 | 0 | 0 | 112.3 | Y947 I948 L954 F955 L986 I987 C990 L1045 | Y947-I951 HydrophobicContact CD2-CG1 4.09Å; Y947-I951 HydrophobicContact CE2-CD1 3.86Å; Y947-I951 HydrophobicContact CE2-CG1 3.43Å; Y947-I951 VanDerWaalsContact CE2-CG1 3.43Å; Y947-I951 PolarHBondContact O-N 2.97Å; I948-I951 PolarHBondContact O-N 3.16Å; I951-L954 HydrophobicContact CD1-CD2 4.29Å; I951-L954 PolarHBondContact O-N 3.16Å; I951-F955 WeakPolarHBondContact O-CB 3.48Å; I951-F955 PolarHBondContact O-N 3.25Å; I951-L986 HydrophobicContact CD1-CB 4.41Å; I951-I987 HydrophobicContact CG2-CG1 4.2Å; I951-C990 HydrophobicContact CB-CB 4.41Å; I951-C990 HydrophobicContact CD1-CB 4.38Å; I951-C990 HydrophobicContact CG1-CB 3.99Å; I951-C990 HydrophobicContact CG2-CB 3.86Å; I951-L1045 HydrophobicContact CG2-CD1 4.48Å; I951-L1045 HydrophobicContact CG2-CD2 3.92Å |
| 952 | S | 79.8 | Confident | 75.4 | Confident | 9 Ų | 9 | 14.9 Ų | 14.9 | 6% | 0.063 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.9 | -47.4 | 172.5 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | I948 N949 F950 L954 F955 Y956 | I948-S952 WeakPolarHBondContact O-CB 3.44Å; I948-S952 PolarHBondContact O-N 3.11Å; N949-S952 PolarHBondContact O-N 3.3Å; F950-S952 PolarHBondContact O-N 3.1Å; S952-L954 VanDerWaalsContact C-N 3.33Å; S952-L954 PolarHBondContact O-N 3.49Å; S952-F955 PolarHBondContact O-N 3.33Å; S952-Y956 WeakPolarHBondContact O-CB 3.35Å; S952-Y956 PolarHBondContact O-N 3.15Å |
| 953 | G | 75.6 | Confident | 75.3 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.8 | -41.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N949 F950 Y956 F957 | N949-G953 PolarHBondContact O-N 3.4Å; F950-G953 PolarHBondContact O-N 3Å; G953-Y956 PolarHBondContact O-N 3.48Å; G953-F957 WeakPolarHBondContact O-CB 3.45Å; G953-F957 PolarHBondContact O-N 3.47Å |
| 954 | L | 79.2 | Confident | 74.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.5 | -51.7 | 173.6 | -168.5 | 75.7 | 0 | 0 | 0 | 111.6 | L854 L873 L877 F950 I951 S952 Y956 F957 I958 C983 I987 | L854-L954 HydrophobicContact CD1-CB 4.19Å; L854-L954 HydrophobicContact CD1-CD1 3.76Å; L873-L954 HydrophobicContact CD2-CD1 4.4Å; L877-L954 HydrophobicContact CD2-CD1 4.33Å; L877-L954 HydrophobicContact CD2-CD2 4.49Å; F950-L954 WeakPolarHBondContact O-CB 3.4Å; F950-L954 PolarHBondContact O-N 3.01Å; I951-L954 HydrophobicContact CD1-CD2 4.29Å; I951-L954 PolarHBondContact O-N 3.16Å; S952-L954 VanDerWaalsContact C-N 3.33Å; S952-L954 PolarHBondContact O-N 3.49Å; L954-Y956 VanDerWaalsContact C-N 3.31Å; L954-Y956 PolarHBondContact O-N 3.15Å; L954-F957 WeakPolarHBondContact O-CB 3.38Å; L954-F957 PolarHBondContact O-N 3.18Å; L954-I958 HydrophobicContact CG-CD1 4.37Å; L954-I958 VanDerWaalsContact O-CG1 3.3Å; L954-I958 WeakPolarHBondContact O-CG1 3.31Å; L954-I958 PolarHBondContact O-N 3.16Å; L954-C983 HydrophobicContact CD2-CB 4.39Å; L954-I987 HydrophobicContact CD2-CD1 4.23Å; L954-I987 HydrophobicContact CD2-CG1 4.09Å |
| 955 | F | 78.7 | Confident | 73.8 | Confident | 5 Ų | 5 | 22.6 Ų | 22.6 | 2% | 0.022 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.5 | -42.3 | 178.7 | 177.7 | -107.6 | 0 | 0 | 0 | 112 | I951 S952 R959 I987 D1048 V1049 T1052 Y1098 | I951-F955 WeakPolarHBondContact O-CB 3.48Å; I951-F955 PolarHBondContact O-N 3.25Å; S952-F955 PolarHBondContact O-N 3.33Å; F955-R959 VanDerWaalsContact O-CB 3.24Å; F955-R959 WeakPolarHBondContact O-CB 3.45Å; F955-R959 PolarHBondContact O-N 3.03Å; F955-I987 HydrophobicContact CB-CD1 4.35Å; F955-I987 HydrophobicContact CD2-CD1 4.39Å; F955-D1048 HydrophobicContact CE1-CB 4.15Å; F955-V1049 HydrophobicContact CD1-CG2 4.28Å; F955-V1049 HydrophobicContact CD2-CG2 4.15Å; F955-V1049 HydrophobicContact CE1-CG2 4Å; F955-V1049 HydrophobicContact CE2-CG2 3.87Å; F955-V1049 HydrophobicContact CG-CG2 4.35Å; F955-V1049 HydrophobicContact CZ-CB 4.29Å; F955-V1049 HydrophobicContact CZ-CG2 3.8Å; F955-T1052 HydrophobicContact CE1-CG2 4.12Å; F955-T1052 HydrophobicContact CZ-CG2 3.7Å; F955-Y1098 HydrophobicContact CD2-CD2 4.33Å; F955-Y1098 HydrophobicContact CD2-CE2 4.44Å; F955-Y1098 AromaticContact CE2-CD2 3.9Å; F955-Y1098 HydrophobicContact CE2-CD2 3.9Å; F955-Y1098 HydrophobicContact CE2-CE2 4.38Å |
| 956 | Y | 74.7 | Confident | 72.7 | Confident | 26 Ų | 26 | 30.5 Ų | 30.5 | 10% | 0.102 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.2 | -40.9 | 176 | -179 | -115.8 | 0 | 0 | 0 | 112.9 | V437 L855 P858 S952 G953 L954 R959 W960 | V437-Y956 HydrophobicContact CB-CD2 4.24Å; V437-Y956 HydrophobicContact CB-CE2 4.35Å; V437-Y956 HydrophobicContact CG1-CD2 3.73Å; V437-Y956 HydrophobicContact CG1-CE2 3.56Å; V437-Y956 HydrophobicContact CG2-CD2 3.7Å; V437-Y956 HydrophobicContact CG2-CE2 4.3Å; V437-Y956 HydrophobicContact CG2-CG 3.88Å; L855-Y956 HydrophobicContact CB-CD1 4.37Å; L855-Y956 HydrophobicContact CD1-CD1 3.89Å; L855-Y956 HydrophobicContact CD1-CG 4.38Å; L855-Y956 HydrophobicContact CG-CD1 3.82Å; L855-Y956 HydrophobicContact CG-CE1 4.24Å; P858-Y956 HydrophobicContact CB-CE1 3.77Å; P858-Y956 HydrophobicContact CG-CD1 4.16Å; P858-Y956 HydrophobicContact CG-CE1 3.86Å; S952-Y956 WeakPolarHBondContact O-CB 3.35Å; S952-Y956 PolarHBondContact O-N 3.15Å; G953-Y956 PolarHBondContact O-N 3.48Å; L954-Y956 VanDerWaalsContact C-N 3.31Å; L954-Y956 PolarHBondContact O-N 3.15Å; Y956-R959 PolarHBondContact O-N 3.33Å; Y956-W960 PolarHBondContact O-N 3.39Å |
| 957 | F | 75.1 | Confident | 71.4 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 5% | 0.048 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.4 | -53.9 | 174.6 | 172.9 | -102 | 0 | 0 | 0 | 111.3 | L854 I866 L873 G953 L954 R959 W960 V961 | L854-F957 HydrophobicContact CB-CB 4.18Å; L854-F957 HydrophobicContact CD2-CB 4.5Å; L854-F957 HydrophobicContact CD2-CD1 4.4Å; L854-F957 HydrophobicContact CD2-CD2 4.45Å; L854-F957 HydrophobicContact CD2-CG 4.2Å; I866-F957 HydrophobicContact CD1-CE2 4.1Å; I866-F957 HydrophobicContact CG1-CE2 4.5Å; I866-F957 HydrophobicContact CG2-CZ 4.37Å; L873-F957 HydrophobicContact CD1-CE1 4.04Å; L873-F957 HydrophobicContact CD1-CZ 4.09Å; G953-F957 WeakPolarHBondContact O-CB 3.45Å; G953-F957 PolarHBondContact O-N 3.47Å; L954-F957 WeakPolarHBondContact O-CB 3.38Å; L954-F957 PolarHBondContact O-N 3.18Å; F957-R959 VanDerWaalsContact C-N 3.33Å; F957-R959 PolarHBondContact O-N 3.08Å; F957-W960 WeakPolarHBondContact O-CB 3.35Å; F957-W960 PolarHBondContact O-N 3.04Å; F957-W960 VanDerWaalsContact O-N 3.12Å; F957-V961 HydrophobicContact CE1-CG2 4.2Å; F957-V961 HydrophobicContact CE2-CG2 4.27Å; F957-V961 HydrophobicContact CZ-CG2 4.02Å; F957-V961 WeakPolarHBondContact O-CG2 3.22Å; F957-V961 PolarHBondContact O-N 3.46Å |
| 958 | I | 74.3 | Confident | 70 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.2 | -43.8 | -179.9 | -47.7 | 162.9 | 0 | 0 | 0 | 109.8 | L954 W960 V961 Y962 Y980 C983 I987 W1094 | L954-I958 HydrophobicContact CG-CD1 4.37Å; L954-I958 VanDerWaalsContact O-CG1 3.3Å; L954-I958 WeakPolarHBondContact O-CG1 3.31Å; L954-I958 PolarHBondContact O-N 3.16Å; I958-W960 VanDerWaalsContact C-N 3.28Å; I958-W960 PolarHBondContact O-N 3.42Å; I958-V961 PolarHBondContact O-N 2.95Å; I958-Y962 PolarHBondContact O-N 2.65Å; I958-Y980 HydrophobicContact CG2-CD1 3.92Å; I958-Y980 HydrophobicContact CG2-CE1 3.78Å; I958-C983 HydrophobicContact CD1-CB 3.71Å; I958-I987 HydrophobicContact CD1-CD1 3.42Å; I958-I987 VanDerWaalsContact CD1-CD1 3.42Å; I958-W1094 VanDerWaalsContact C-CH2 3.47Å; I958-W1094 HydrophobicContact CB-CH2 3.92Å; I958-W1094 HydrophobicContact CB-CZ3 4.24Å; I958-W1094 HydrophobicContact CG2-CD2 4.49Å; I958-W1094 HydrophobicContact CG2-CE3 4.22Å; I958-W1094 HydrophobicContact CG2-CH2 3.22Å; I958-W1094 HydrophobicContact CG2-CZ2 3.49Å; I958-W1094 VanDerWaalsContact CG2-CZ2 3.49Å; I958-W1094 HydrophobicContact CG2-CZ3 3.62Å; I958-W1094 VanDerWaalsContact O-CH2 3.31Å; I958-W1094 WeakPolarHBondContact O-CH2 3.39Å |
| 959 | R | 72.5 | Confident | 68.5 | Low | 57 Ų | 57 | 42 Ų | 42 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58 | -36.1 | 175.9 | 173 | 179.5 | 166.1 | 180 | -9.4 | 112.9 | F955 Y956 F957 Y962 S963 D1048 T1052 | F955-R959 VanDerWaalsContact O-CB 3.24Å; F955-R959 WeakPolarHBondContact O-CB 3.45Å; F955-R959 PolarHBondContact O-N 3.03Å; Y956-R959 PolarHBondContact O-N 3.33Å; F957-R959 VanDerWaalsContact C-N 3.33Å; F957-R959 PolarHBondContact O-N 3.08Å; R959-Y962 WeakPolarHBondContact O-CB 3.27Å; R959-S963 PolarHBondContact O-N 3.46Å; R959-S963 PolarHBondContact O-OG 2.93Å; R959-D1048 IonicContact CZ-OD1 2.84Å; R959-D1048 IonicContact NH1-OD1 3.67Å; R959-D1048 PolarHBondContact NH1-OD1 3.31Å; R959-T1052 HydrophobicContact CG-CG2 4.42Å |
| 960 | W | 72.5 | Confident | 67.3 | Low | 40 Ų | 40 | 49.8 Ų | 49.8 | 15% | 0.152 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70 | -41 | 173 | 174.6 | 88.6 | 0 | 0 | 0 | 111.7 | P858 I866 Y956 F957 I958 Y962 S963 N964 | P858-W960 HydrophobicContact CB-CB 4.03Å; P858-W960 HydrophobicContact CB-CD2 3.91Å; P858-W960 HydrophobicContact CB-CG 3.58Å; P858-W960 HydrophobicContact CG-CB 3.86Å; P858-W960 HydrophobicContact CG-CD2 4.03Å; P858-W960 HydrophobicContact CG-CE3 4.36Å; P858-W960 HydrophobicContact CG-CG 3.82Å; P858-W960 PolarHBondContact O-NE1 3.39Å; I866-W960 HydrophobicContact CD1-CH2 3.79Å; I866-W960 HydrophobicContact CD1-CZ3 3.49Å; I866-W960 VanDerWaalsContact CD1-CZ3 3.49Å; Y956-W960 PolarHBondContact O-N 3.39Å; F957-W960 WeakPolarHBondContact O-CB 3.35Å; F957-W960 PolarHBondContact O-N 3.04Å; F957-W960 VanDerWaalsContact O-N 3.12Å; I958-W960 VanDerWaalsContact C-N 3.28Å; I958-W960 PolarHBondContact O-N 3.42Å; W960-Y962 VanDerWaalsContact C-N 3.32Å; W960-Y962 PolarHBondContact O-N 3.23Å; W960-S963 PolarHBondContact O-N 2.7Å; W960-N964 PolarHBondContact O-N 3.44Å; W960-N964 PolarHBondContact O-ND2 3.46Å |
| 961 | V | 67.5 | Low | 65.8 | Low | 10 Ų | 10 | 54.6 Ų | 54.6 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -38 | 175.7 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | F957 I958 S963 N964 S965 I968 Y980 | F957-V961 HydrophobicContact CE1-CG2 4.2Å; F957-V961 HydrophobicContact CE2-CG2 4.27Å; F957-V961 HydrophobicContact CZ-CG2 4.02Å; F957-V961 WeakPolarHBondContact O-CG2 3.22Å; F957-V961 PolarHBondContact O-N 3.46Å; I958-V961 PolarHBondContact O-N 2.95Å; V961-S963 VanDerWaalsContact C-N 3.32Å; V961-S963 PolarHBondContact O-N 2.74Å; V961-N964 PolarHBondContact O-N 3.44Å; V961-S965 PolarHBondContact O-N 3.47Å; V961-I968 HydrophobicContact CG1-CD1 3.78Å; V961-Y980 WeakPolarHBondContact CG1-OH 3.32Å |
| 962 | Y | 63.2 | Low | 64.3 | Low | 84 Ų | 84 | 56.6 Ų | 56.6 | 33% | 0.329 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -53.9 | -49.2 | 171.5 | -164.4 | -118.7 | 0 | 0 | 0 | 112.4 | I958 R959 W960 N964 S965 N1092 W1094 P1095 | I958-Y962 PolarHBondContact O-N 2.65Å; R959-Y962 WeakPolarHBondContact O-CB 3.27Å; W960-Y962 VanDerWaalsContact C-N 3.32Å; W960-Y962 PolarHBondContact O-N 3.23Å; Y962-N964 PolarHBondContact O-N 2.89Å; Y962-S965 VanDerWaalsContact O-CB 3.26Å; Y962-S965 WeakPolarHBondContact O-CB 3.28Å; Y962-S965 PolarHBondContact O-N 2.84Å; Y962-S965 VanDerWaalsContact O-N 3.13Å; Y962-S965 PolarHBondContact O-OG 3.03Å; Y962-N1092 WeakPolarHBondContact CE2-O 3.28Å; Y962-W1094 VanDerWaalsContact CB-CZ2 3.47Å; Y962-W1094 AromaticContact CD2-CE2 3.75Å; Y962-W1094 HydrophobicContact CD2-CH2 4.48Å; Y962-W1094 AromaticContact CD2-CZ2 3.62Å; Y962-W1094 HydrophobicContact CD2-CZ2 3.62Å; Y962-W1094 AromaticContact CD2-NE1 3.71Å; Y962-W1094 HydrophobicContact CG-CH2 4.3Å; Y962-W1094 AromaticContact CG-CZ2 3.82Å; Y962-W1094 HydrophobicContact CG-CZ2 3.82Å; Y962-P1095 HydrophobicContact CD1-CG 4.42Å; Y962-P1095 HydrophobicContact CE1-CG 4.32Å |
| 963 | S | 65.9 | Low | 62.8 | Low | 87 Ų | 87 | 62.4 Ų | 62.4 | 61% | 0.608 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -6.2 | -171.9 | -54.3 | 0 | 0 | 0 | 0 | 113.5 | R959 W960 V961 | R959-S963 PolarHBondContact O-N 3.46Å; R959-S963 PolarHBondContact O-OG 2.93Å; W960-S963 PolarHBondContact O-N 2.7Å; V961-S963 VanDerWaalsContact C-N 3.32Å; V961-S963 PolarHBondContact O-N 2.74Å |
| 964 | N | 62.7 | Low | 61.7 | Low | 72 Ų | 72 | 68.6 Ų | 68.6 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130 | 16.7 | 179.2 | -59.6 | -88.7 | 0 | 0 | 0 | 111.8 | W960 V961 Y962 E966 F967 I968 | W960-N964 PolarHBondContact O-N 3.44Å; W960-N964 PolarHBondContact O-ND2 3.46Å; V961-N964 PolarHBondContact O-N 3.44Å; Y962-N964 PolarHBondContact O-N 2.89Å; N964-E966 PolarHBondContact O-N 3.49Å; N964-F967 PolarHBondContact O-N 3.23Å; N964-I968 HydrophobicContact CB-CD1 4.44Å |
| 965 | S | 54.1 | Low | 60.6 | Low | 40 Ų | 40 | 74.5 Ų | 74.5 | 28% | 0.28 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -34.1 | -164.9 | 48.1 | 0 | 0 | 0 | 0 | 114.7 | V961 Y962 F967 I968 I969 | V961-S965 PolarHBondContact O-N 3.47Å; Y962-S965 VanDerWaalsContact O-CB 3.26Å; Y962-S965 WeakPolarHBondContact O-CB 3.28Å; Y962-S965 PolarHBondContact O-N 2.84Å; Y962-S965 VanDerWaalsContact O-N 3.13Å; Y962-S965 PolarHBondContact O-OG 3.03Å; S965-F967 PolarHBondContact O-N 3.24Å; S965-F967 VanDerWaalsContact O-N 3.1Å; S965-I968 PolarHBondContact O-N 2.72Å; S965-I969 WeakPolarHBondContact O-CG1 3.25Å; S965-I969 PolarHBondContact O-N 2.74Å; S965-I969 VanDerWaalsContact O-N 3.15Å |
| 966 | E | 52.2 | Low | 59.7 | Low | 180 Ų | 180 | 75.3 Ų | 75.3 | 84% | 0.841 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -51.6 | -34.1 | 176.5 | -66.3 | -175.1 | 134 | 0 | 0 | 113.2 | N964 | N964-E966 PolarHBondContact O-N 3.49Å |
| 967 | F | 46.9 | Very low | 59.1 | Low | 146 Ų | 146 | 78.1 Ų | 78.1 | 64% | 0.64 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -89.3 | -10.6 | -179.5 | -138 | -68.6 | 0 | 0 | 0 | 113.7 | K863 N964 S965 | K863-F967 VanDerWaalsContact NZ-CG 3.32Å; N964-F967 PolarHBondContact O-N 3.23Å; S965-F967 PolarHBondContact O-N 3.24Å; S965-F967 VanDerWaalsContact O-N 3.1Å |
| 968 | I | 51.4 | Low | 58.6 | Low | 30 Ų | 30 | 81 Ų | 81 | 15% | 0.154 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -103.1 | -33.6 | -171.2 | -65.3 | 175 | 0 | 0 | 0 | 110.9 | V961 N964 S965 E970 T971 I972 | V961-I968 HydrophobicContact CG1-CD1 3.78Å; N964-I968 HydrophobicContact CB-CD1 4.44Å; S965-I968 PolarHBondContact O-N 2.72Å; I968-E970 PolarHBondContact O-N 3.17Å; I968-T971 PolarHBondContact O-N 3.2Å; I968-I972 HydrophobicContact CG2-CD1 4.25Å; I968-I972 PolarHBondContact O-N 3.06Å |
| 969 | I | 51.4 | Low | 58.2 | Low | 75 Ų | 75 | 81.3 Ų | 81.3 | 39% | 0.385 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | -179.9 | -66.9 | 166.8 | 0 | 0 | 0 | 111.7 | S965 T971 H973 | S965-I969 WeakPolarHBondContact O-CG1 3.25Å; S965-I969 PolarHBondContact O-N 2.74Å; S965-I969 VanDerWaalsContact O-N 3.15Å; I969-T971 PolarHBondContact O-N 3.37Å; I969-H973 PolarHBondContact O-CD2 3.47Å |
| 970 | E | 51.5 | Low | 58 | Low | 168 Ų | 168 | 81.6 Ų | 81.6 | 79% | 0.785 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.2 | -178.2 | -68.7 | -161.7 | 134.8 | 0 | 0 | 115.4 | I968 | I968-E970 PolarHBondContact O-N 3.17Š|
| 971 | T | 50 | Low | 57.8 | Low | 105 Ų | 105 | 82.7 Ų | 82.7 | 64% | 0.644 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.1 | -15.3 | -169.6 | 49.1 | 0 | 0 | 0 | 0 | 116.8 | I968 I969 | I968-T971 PolarHBondContact O-N 3.2Å; I969-T971 PolarHBondContact O-N 3.37Å |
| 972 | I | 51.4 | Low | 57.9 | Low | 41 Ų | 41 | 83.7 Ų | 83.7 | 21% | 0.21 | 43% | 0.427 | C | S | . | . | trans | -133.5 | 47.2 | -172.1 | -27.1 | 177.4 | 0 | 0 | 0 | 112.5 | M867 I968 I974 I976 | M867-I972 HydrophobicContact CE-CD1 3.6Å; M867-I972 HydrophobicContact CE-CG1 4.04Å; M867-I972 HydrophobicContact SD-CD1 4.08Å; I968-I972 HydrophobicContact CG2-CD1 4.25Å; I968-I972 PolarHBondContact O-N 3.06Å; I972-I974 VanDerWaalsContact C-N 3.31Å; I972-I974 PolarHBondContact O-N 3.1Å; I972-I974 VanDerWaalsContact O-N 3.13Å; I972-I976 HydrophobicContact CB-CD1 3.79Å; I972-I976 HydrophobicContact CB-CG1 4.27Å; I972-I976 HydrophobicContact CD1-CD1 3.94Å; I972-I976 HydrophobicContact CG1-CD1 4.44Å; I972-I976 HydrophobicContact CG2-CD1 3.7Å; I972-I976 HydrophobicContact CG2-CG1 3.79Å | ||
| 973 | H | 49.2 | Very low | 58.4 | Low | 131 Ų | 131 | 79.8 Ų | 79.8 | 61% | 0.606 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | 1.2 | -158.1 | -138.5 | -49.5 | 0 | 0 | 0 | 117.1 | I969 | I969-H973 PolarHBondContact O-CD2 3.47Š|
| 974 | I | 51.3 | Low | 58.7 | Low | 131 Ų | 131 | 76 Ų | 76 | 67% | 0.672 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.7 | -54.8 | -172.7 | -60.1 | -179.8 | 0 | 0 | 0 | 112.2 | I972 I976 | I972-I974 VanDerWaalsContact C-N 3.31Å; I972-I974 PolarHBondContact O-N 3.1Å; I972-I974 VanDerWaalsContact O-N 3.13Å; I974-I976 PolarHBondContact O-N 2.64Å |
| 975 | D | 55.9 | Low | 59.2 | Low | 124 Ų | 124 | 75.9 Ų | 75.9 | 66% | 0.663 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -15.6 | -163.3 | -57.2 | -44.8 | 0 | 0 | 0 | 115.7 | ||
| 976 | I | 60.5 | Low | 60.3 | Low | 21 Ų | 21 | 74 Ų | 74 | 11% | 0.108 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -85.7 | -19 | 179.8 | -42.5 | -175.6 | 0 | 0 | 0 | 112.2 | I870 I972 I974 L979 Y980 | I870-I976 HydrophobicContact CD1-CD1 4.32Å; I870-I976 HydrophobicContact CD1-CG1 4.48Å; I972-I976 HydrophobicContact CB-CD1 3.79Å; I972-I976 HydrophobicContact CB-CG1 4.27Å; I972-I976 HydrophobicContact CD1-CD1 3.94Å; I972-I976 HydrophobicContact CG1-CD1 4.44Å; I972-I976 HydrophobicContact CG2-CD1 3.7Å; I972-I976 HydrophobicContact CG2-CG1 3.79Å; I974-I976 PolarHBondContact O-N 2.64Å; I976-L979 HydrophobicContact CG2-CB 4.26Å; I976-L979 HydrophobicContact CG2-CD2 4.19Å; I976-L979 VanDerWaalsContact O-CB 3.28Å; I976-L979 WeakPolarHBondContact O-CB 3.47Å; I976-L979 PolarHBondContact O-N 2.8Å; I976-L979 VanDerWaalsContact O-N 3.07Å; I976-Y980 HydrophobicContact CB-CD2 4.39Å; I976-Y980 HydrophobicContact CB-CE2 4.08Å; I976-Y980 HydrophobicContact CG2-CD2 3.78Å; I976-Y980 HydrophobicContact CG2-CE2 3.42Å; I976-Y980 VanDerWaalsContact CG2-CE2 3.42Å; I976-Y980 VanDerWaalsContact O-CD2 3.29Å; I976-Y980 WeakPolarHBondContact O-CD2 3.42Å; I976-Y980 PolarHBondContact O-N 2.93Å; I976-Y980 VanDerWaalsContact O-N 3.09Å |
| 977 | I | 62.2 | Low | 61.5 | Low | 85 Ų | 85 | 65.5 Ų | 65.5 | 44% | 0.436 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | -175.8 | -59.2 | 176.3 | 0 | 0 | 0 | 112.5 | L979 Y980 I981 | I977-L979 VanDerWaalsContact C-N 3.33Å; I977-L979 PolarHBondContact O-N 2.85Å; I977-Y980 PolarHBondContact O-N 3.11Å; I977-I981 HydrophobicContact CG2-CD1 4.41Å; I977-I981 WeakPolarHBondContact O-CG1 3.37Å; I977-I981 PolarHBondContact O-N 3.39Å |
| 978 | P | 64.1 | Low | 62.9 | Low | 72 Ų | 72 | 58.9 Ų | 58.9 | 47% | 0.468 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 173.2 | -22.6 | 34.6 | 0 | 0 | 0 | 112.7 | Y980 I981 E982 | P978-Y980 VanDerWaalsContact C-N 3.32Å; P978-Y980 PolarHBondContact O-N 3.38Å; P978-I981 PolarHBondContact O-N 2.92Å; P978-I981 VanDerWaalsContact O-N 3.13Å; P978-E982 PolarHBondContact O-N 3.32Å; P978-E982 VanDerWaalsContact O-N 3.08Å |
| 979 | L | 65.9 | Low | 64 | Low | 9 Ų | 9 | 57.5 Ų | 57.5 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.3 | -42.8 | -179.7 | -161.5 | 84.4 | 0 | 0 | 0 | 111.8 | L873 T874 L877 I976 I977 E982 C983 | L873-L979 HydrophobicContact CB-CD1 4.21Å; L873-L979 HydrophobicContact CB-CD2 4.45Å; T874-L979 WeakPolarHBondContact OG1-CD1 3.27Å; L877-L979 HydrophobicContact CD1-CD1 3.77Å; L877-L979 HydrophobicContact CD1-CG 4.1Å; I976-L979 HydrophobicContact CG2-CB 4.26Å; I976-L979 HydrophobicContact CG2-CD2 4.19Å; I976-L979 VanDerWaalsContact O-CB 3.28Å; I976-L979 WeakPolarHBondContact O-CB 3.47Å; I976-L979 PolarHBondContact O-N 2.8Å; I976-L979 VanDerWaalsContact O-N 3.07Å; I977-L979 VanDerWaalsContact C-N 3.33Å; I977-L979 PolarHBondContact O-N 2.85Å; L979-E982 PolarHBondContact O-N 2.74Å; L979-C983 WeakPolarHBondContact O-CB 3.33Å; L979-C983 PolarHBondContact O-N 2.74Å; L979-C983 PolarHBondContact O-SG 3.15Å |
| 980 | Y | 67.9 | Low | 65.4 | Low | 62 Ų | 62 | 53.9 Ų | 53.9 | 24% | 0.243 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 176.9 | -75.3 | -61.8 | 0 | 0 | 0 | 113 | I958 V961 I976 I977 P978 S984 | I958-Y980 HydrophobicContact CG2-CD1 3.92Å; I958-Y980 HydrophobicContact CG2-CE1 3.78Å; V961-Y980 WeakPolarHBondContact CG1-OH 3.32Å; I976-Y980 HydrophobicContact CB-CD2 4.39Å; I976-Y980 HydrophobicContact CB-CE2 4.08Å; I976-Y980 HydrophobicContact CG2-CD2 3.78Å; I976-Y980 HydrophobicContact CG2-CE2 3.42Å; I976-Y980 VanDerWaalsContact CG2-CE2 3.42Å; I976-Y980 VanDerWaalsContact O-CD2 3.29Å; I976-Y980 WeakPolarHBondContact O-CD2 3.42Å; I976-Y980 PolarHBondContact O-N 2.93Å; I976-Y980 VanDerWaalsContact O-N 3.09Å; I977-Y980 PolarHBondContact O-N 3.11Å; P978-Y980 VanDerWaalsContact C-N 3.32Å; P978-Y980 PolarHBondContact O-N 3.38Å; Y980-S984 VanDerWaalsContact O-CB 3.31Å; Y980-S984 WeakPolarHBondContact O-CB 3.37Å; Y980-S984 PolarHBondContact O-N 2.82Å |
| 981 | I | 68.9 | Low | 66.7 | Low | 64 Ų | 64 | 46 Ų | 46 | 33% | 0.328 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.9 | -47.9 | 178.7 | -64.7 | 167.8 | 0 | 0 | 0 | 109.5 | I977 P978 S984 E985 | I977-I981 HydrophobicContact CG2-CD1 4.41Å; I977-I981 WeakPolarHBondContact O-CG1 3.37Å; I977-I981 PolarHBondContact O-N 3.39Å; P978-I981 PolarHBondContact O-N 2.92Å; P978-I981 VanDerWaalsContact O-N 3.13Å; I981-S984 WeakPolarHBondContact O-CB 3.44Å; I981-S984 PolarHBondContact O-N 3.44Å; I981-S984 VanDerWaalsContact O-N 3.11Å; I981-E985 PolarHBondContact O-N 3.41Å |
| 982 | E | 70.2 | Confident | 68.1 | Low | 30 Ų | 30 | 41 Ų | 41 | 14% | 0.14 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.8 | -36.6 | -179.2 | -63 | -161.6 | -131.8 | 0 | 0 | 112.9 | N878 R886 P978 L979 S984 E985 L986 | N878-E982 WeakPolarHBondContact CA-OE2 3.04Å; N878-E982 VanDerWaalsContact CG-OE1 3.24Å; N878-E982 PolarHBondContact ND2-OE1 2.98Å; N878-E982 PolarHBondContact OD1-OE1 3.41Å; R886-E982 IonicContact CZ-OE2 3.37Å; R886-E982 IonicContact NH1-OE2 3.68Å; R886-E982 PolarHBondContact NH1-OE2 3.11Å; R886-E982 IonicContact NH2-OE2 2.97Å; R886-E982 PolarHBondContact NH2-OE2 3.15Å; P978-E982 PolarHBondContact O-N 3.32Å; P978-E982 VanDerWaalsContact O-N 3.08Å; L979-E982 PolarHBondContact O-N 2.74Å; E982-S984 VanDerWaalsContact C-N 3.26Å; E982-S984 PolarHBondContact O-N 2.97Å; E982-E985 PolarHBondContact O-N 2.86Å; E982-L986 WeakPolarHBondContact O-CD1 3.4Å; E982-L986 WeakPolarHBondContact O-CG 3.48Å; E982-L986 PolarHBondContact O-N 2.9Å |
| 983 | C | 72.6 | Confident | 69.4 | Low | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.8 | -41.9 | 168.1 | -73.2 | 0 | 0 | 0 | 0 | 112 | L877 L954 I958 L979 L986 I987 | L877-C983 WeakPolarHBondContact CD1-SG 3.35Å; L954-C983 HydrophobicContact CD2-CB 4.39Å; I958-C983 HydrophobicContact CD1-CB 3.71Å; L979-C983 WeakPolarHBondContact O-CB 3.33Å; L979-C983 PolarHBondContact O-N 2.74Å; L979-C983 PolarHBondContact O-SG 3.15Å; C983-L986 PolarHBondContact O-N 3.5Å; C983-I987 WeakPolarHBondContact O-CG1 3.3Å; C983-I987 PolarHBondContact O-N 3.46Å |
| 984 | S | 71.8 | Confident | 70.8 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.7 | -43.7 | -179 | -171.4 | 0 | 0 | 0 | 0 | 112.1 | Y980 I981 E982 L986 I987 H988 Y1098 | Y980-S984 VanDerWaalsContact O-CB 3.31Å; Y980-S984 WeakPolarHBondContact O-CB 3.37Å; Y980-S984 PolarHBondContact O-N 2.82Å; I981-S984 WeakPolarHBondContact O-CB 3.44Å; I981-S984 PolarHBondContact O-N 3.44Å; I981-S984 VanDerWaalsContact O-N 3.11Å; E982-S984 VanDerWaalsContact C-N 3.26Å; E982-S984 PolarHBondContact O-N 2.97Å; S984-L986 VanDerWaalsContact C-N 3.25Å; S984-L986 PolarHBondContact O-N 3.41Å; S984-I987 PolarHBondContact O-N 2.9Å; S984-H988 WeakPolarHBondContact O-CB 3.48Å; S984-H988 PolarHBondContact O-CD2 3.31Å; S984-H988 PolarHBondContact O-N 3.25Å; S984-H988 PolarHBondContact OG-CD2 3.23Å; S984-H988 VanDerWaalsContact OG-CD2 3.27Å; S984-H988 PolarHBondContact OG-NE2 2.96Å; S984-Y1098 WeakPolarHBondContact CA-OH 3.35Å; S984-Y1098 WeakPolarHBondContact CB-OH 3.11Å; S984-Y1098 WeakPolarHBondContact OG-CE1 3.4Å |
| 985 | E | 73.8 | Confident | 72 | Confident | 71 Ų | 71 | 26.6 Ų | 26.6 | 33% | 0.332 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -57.6 | -36.7 | 174 | -70.8 | -176.5 | 174.6 | 0 | 0 | 113.2 | R886 M887 I981 E982 G989 | R886-E985 VanDerWaalsContact CD-OE2 3.29Å; R886-E985 WeakPolarHBondContact CD-OE2 3.47Å; R886-E985 IonicContact CZ-OE2 2.85Å; R886-E985 IonicContact NE-OE2 3.66Å; R886-E985 IonicContact NH1-OE2 2.66Å; R886-E985 PolarHBondContact NH1-OE2 2.82Å; M887-E985 PolarHBondContact N-O 2.92Å; I981-E985 PolarHBondContact O-N 3.41Å; E982-E985 PolarHBondContact O-N 2.86Å; E985-G989 PolarHBondContact O-N 3.19Å |
| 986 | L | 76.6 | Confident | 72.9 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -76 | -39.2 | 179.6 | -74.7 | 161.3 | 0 | 0 | 0 | 112.5 | L877 I884 R886 I951 E982 C983 S984 G989 C990 | L877-L986 HydrophobicContact CB-CD1 4.31Å; L877-L986 HydrophobicContact CD2-CD1 3.38Å; L877-L986 HydrophobicContact CG-CD1 4.42Å; I884-L986 HydrophobicContact CB-CD2 4.03Å; I884-L986 HydrophobicContact CG2-CD2 3.48Å; I884-L986 VanDerWaalsContact CG2-CD2 3.48Å; R886-L986 HydrophobicContact CG-CD2 3.58Å; R886-L986 HydrophobicContact CG-CG 3.96Å; I951-L986 HydrophobicContact CD1-CB 4.41Å; E982-L986 WeakPolarHBondContact O-CD1 3.4Å; E982-L986 WeakPolarHBondContact O-CG 3.48Å; E982-L986 PolarHBondContact O-N 2.9Å; C983-L986 PolarHBondContact O-N 3.5Å; S984-L986 VanDerWaalsContact C-N 3.25Å; S984-L986 PolarHBondContact O-N 3.41Å; L986-G989 PolarHBondContact O-N 3.38Å; L986-C990 WeakPolarHBondContact O-CB 3.24Å; L986-C990 PolarHBondContact O-N 2.96Å |
| 987 | I | 77.3 | Confident | 73.5 | Confident | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.7 | -45.6 | 173 | -70.5 | 164.9 | 0 | 0 | 0 | 110.3 | I951 L954 F955 I958 C983 S984 G989 C990 L991 Y1098 | I951-I987 HydrophobicContact CG2-CG1 4.2Å; L954-I987 HydrophobicContact CD2-CD1 4.23Å; L954-I987 HydrophobicContact CD2-CG1 4.09Å; F955-I987 HydrophobicContact CB-CD1 4.35Å; F955-I987 HydrophobicContact CD2-CD1 4.39Å; I958-I987 HydrophobicContact CD1-CD1 3.42Å; I958-I987 VanDerWaalsContact CD1-CD1 3.42Å; C983-I987 WeakPolarHBondContact O-CG1 3.3Å; C983-I987 PolarHBondContact O-N 3.46Å; S984-I987 PolarHBondContact O-N 2.9Å; I987-G989 PolarHBondContact O-N 3.21Å; I987-C990 WeakPolarHBondContact O-CB 3.43Å; I987-C990 PolarHBondContact O-N 2.74Å; I987-L991 HydrophobicContact CG2-CD1 3.82Å; I987-L991 HydrophobicContact CG2-CG 4.49Å; I987-L991 VanDerWaalsContact O-CG 3.3Å; I987-L991 WeakPolarHBondContact O-CG 3.46Å; I987-L991 PolarHBondContact O-N 3.41Å; I987-Y1098 HydrophobicContact CB-CD1 4.38Å; I987-Y1098 HydrophobicContact CB-CE1 3.85Å; I987-Y1098 HydrophobicContact CD1-CE1 4.38Å; I987-Y1098 HydrophobicContact CD1-CE2 4.35Å; I987-Y1098 HydrophobicContact CG2-CD1 3.63Å; I987-Y1098 HydrophobicContact CG2-CE1 3.59Å; I987-Y1098 HydrophobicContact CG2-CG 4.24Å |
| 988 | H | 76.3 | Confident | 74.1 | Confident | 7 Ų | 7 | 19 Ų | 19 | 3% | 0.032 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | 174.8 | -72.8 | -53.1 | 0 | 0 | 0 | 112.2 | M887 S984 C990 L991 V992 Y1098 I1101 | M887-H988 HydrophobicContact CB-CB 4.18Å; M887-H988 HydrophobicContact CE-CB 3.95Å; M887-H988 HydrophobicContact SD-CB 3.85Å; S984-H988 WeakPolarHBondContact O-CB 3.48Å; S984-H988 PolarHBondContact O-CD2 3.31Å; S984-H988 PolarHBondContact O-N 3.25Å; S984-H988 PolarHBondContact OG-CD2 3.23Å; S984-H988 VanDerWaalsContact OG-CD2 3.27Å; S984-H988 PolarHBondContact OG-NE2 2.96Å; H988-C990 PolarHBondContact O-N 2.99Å; H988-L991 PolarHBondContact O-N 3Å; H988-V992 WeakPolarHBondContact O-CB 3.45Å; H988-V992 VanDerWaalsContact O-CG2 3.3Å; H988-V992 WeakPolarHBondContact O-CG2 3.22Å; H988-V992 PolarHBondContact O-N 2.87Å; H988-Y1098 AromaticContact CE1-CD1 3.41Å; H988-Y1098 VanDerWaalsContact CE1-CD1 3.41Å; H988-Y1098 WeakPolarHBondContact CE1-CD1 3.46Å; H988-Y1098 AromaticContact CE1-CE1 3.89Å; H988-Y1098 AromaticContact ND1-CD1 3.85Å; H988-Y1098 AromaticContact NE2-CD1 3.74Å; H988-Y1098 AromaticContact NE2-CE1 3.74Å; H988-I1101 WeakPolarHBondContact CE1-CD1 3.49Å |
| 989 | G | 75.1 | Confident | 74.7 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.9 | -42.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E985 L986 I987 F993 | E985-G989 PolarHBondContact O-N 3.19Å; L986-G989 PolarHBondContact O-N 3.38Å; I987-G989 PolarHBondContact O-N 3.21Å; G989-F993 VanDerWaalsContact O-CB 3.3Å; G989-F993 WeakPolarHBondContact O-CB 3.01Å; G989-F993 PolarHBondContact O-N 3.31Å |
| 990 | C | 80.5 | Confident | 75 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.4 | -47.6 | 174 | -165.7 | 0 | 0 | 0 | 0 | 112.2 | Y947 I951 L986 I987 H988 F993 I994 | Y947-C990 HydrophobicContact CE1-CB 4.44Å; Y947-C990 WeakPolarHBondContact OH-CA 3.15Å; Y947-C990 WeakPolarHBondContact OH-CB 3.21Å; I951-C990 HydrophobicContact CB-CB 4.41Å; I951-C990 HydrophobicContact CD1-CB 4.38Å; I951-C990 HydrophobicContact CG1-CB 3.99Å; I951-C990 HydrophobicContact CG2-CB 3.86Å; L986-C990 WeakPolarHBondContact O-CB 3.24Å; L986-C990 PolarHBondContact O-N 2.96Å; I987-C990 WeakPolarHBondContact O-CB 3.43Å; I987-C990 PolarHBondContact O-N 2.74Å; H988-C990 PolarHBondContact O-N 2.99Å; C990-F993 PolarHBondContact O-N 3.3Å; C990-I994 VanDerWaalsContact O-CG1 3.32Å; C990-I994 WeakPolarHBondContact O-CG1 3.45Å; C990-I994 PolarHBondContact O-N 2.94Å |
| 991 | L | 79.7 | Confident | 75.1 | Confident | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | -179.6 | -70.9 | 163.5 | 0 | 0 | 0 | 112 | I987 H988 I994 I995 L1046 V1049 T1102 | I987-L991 HydrophobicContact CG2-CD1 3.82Å; I987-L991 HydrophobicContact CG2-CG 4.49Å; I987-L991 VanDerWaalsContact O-CG 3.3Å; I987-L991 WeakPolarHBondContact O-CG 3.46Å; I987-L991 PolarHBondContact O-N 3.41Å; H988-L991 PolarHBondContact O-N 3Å; L991-I994 PolarHBondContact O-N 3.42Å; L991-I995 WeakPolarHBondContact O-CB 3.23Å; L991-I995 WeakPolarHBondContact O-CD1 3.43Å; L991-I995 VanDerWaalsContact O-CG1 3.24Å; L991-I995 WeakPolarHBondContact O-CG1 3.24Å; L991-I995 PolarHBondContact O-N 3.2Å; L991-L1046 HydrophobicContact CD2-CD2 3.84Å; L991-V1049 HydrophobicContact CD2-CG2 4.48Å; L991-T1102 HydrophobicContact CD2-CG2 4.41Å |
| 992 | V | 78.2 | Confident | 75.3 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 173.5 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | M887 F900 L902 H988 Q996 L1105 | M887-V992 HydrophobicContact SD-CG2 4.41Å; F900-V992 HydrophobicContact CB-CG2 4.41Å; L902-V992 HydrophobicContact CD1-CG1 4.22Å; L902-V992 HydrophobicContact CD2-CB 3.91Å; L902-V992 HydrophobicContact CD2-CG1 3.65Å; L902-V992 HydrophobicContact CG-CG1 3.85Å; H988-V992 WeakPolarHBondContact O-CB 3.45Å; H988-V992 VanDerWaalsContact O-CG2 3.3Å; H988-V992 WeakPolarHBondContact O-CG2 3.22Å; H988-V992 PolarHBondContact O-N 2.87Å; V992-Q996 HydrophobicContact CG1-CG 4.39Å; V992-Q996 VanDerWaalsContact O-CB 3.3Å; V992-Q996 WeakPolarHBondContact O-CB 3.5Å; V992-Q996 PolarHBondContact O-N 3.25Å; V992-L1105 HydrophobicContact CB-CD1 4.47Å; V992-L1105 HydrophobicContact CG2-CD1 3.62Å; V992-L1105 HydrophobicContact CG2-CD2 4.38Å |
| 993 | F | 79.2 | Confident | 75.2 | Confident | 1 Ų | 1 | 12.8 Ų | 12.8 | 0% | 0.004 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.7 | -45.3 | 177.4 | -178.8 | -112.1 | 0 | 0 | 0 | 112.8 | P885 L902 I908 I911 L944 Y947 G989 C990 H997 L998 | P885-F993 HydrophobicContact CG-CB 4.44Å; P885-F993 HydrophobicContact CG-CG 4.45Å; L902-F993 HydrophobicContact CD1-CB 3.84Å; L902-F993 HydrophobicContact CD1-CD2 3.93Å; L902-F993 HydrophobicContact CD1-CG 4.38Å; I908-F993 HydrophobicContact CG1-CD2 4.13Å; I908-F993 HydrophobicContact CG1-CE2 4.06Å; I911-F993 HydrophobicContact CD1-CZ 3.87Å; L944-F993 HydrophobicContact CD2-CE1 3.78Å; L944-F993 HydrophobicContact CD2-CZ 4.3Å; Y947-F993 HydrophobicContact CE1-CD1 4.43Å; G989-F993 VanDerWaalsContact O-CB 3.3Å; G989-F993 WeakPolarHBondContact O-CB 3.01Å; G989-F993 PolarHBondContact O-N 3.31Å; C990-F993 PolarHBondContact O-N 3.3Å; F993-H997 HydrophobicContact CD2-CB 4.09Å; F993-H997 HydrophobicContact CE2-CB 4.12Å; F993-H997 WeakPolarHBondContact O-CA 3.44Å; F993-H997 VanDerWaalsContact O-CB 3.29Å; F993-H997 WeakPolarHBondContact O-CB 3.47Å; F993-H997 PolarHBondContact O-N 3.47Å; F993-H997 VanDerWaalsContact O-N 3.08Å; F993-L998 HydrophobicContact CD1-CD1 4.13Å; F993-L998 HydrophobicContact CD1-CG 4.22Å; F993-L998 HydrophobicContact CE1-CD1 3.83Å; F993-L998 HydrophobicContact CE1-CD2 3.98Å; F993-L998 HydrophobicContact CE1-CG 3.83Å; F993-L998 HydrophobicContact CZ-CD2 4.05Å; F993-L998 HydrophobicContact CZ-CG 4.26Å; F993-L998 PolarHBondContact O-N 3.04Å |
| 994 | I | 78.9 | Confident | 75 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | I | π-helix | trans | -59.5 | -54.3 | 176 | -69.7 | 164.6 | 0 | 0 | 0 | 110.1 | C990 L991 L998 M999 C1042 L1045 L1046 | C990-I994 VanDerWaalsContact O-CG1 3.32Å; C990-I994 WeakPolarHBondContact O-CG1 3.45Å; C990-I994 PolarHBondContact O-N 2.94Å; L991-I994 PolarHBondContact O-N 3.42Å; I994-L998 HydrophobicContact CG1-CD1 4.15Å; I994-L998 PolarHBondContact O-N 3.02Å; I994-M999 HydrophobicContact CG2-CG 4.28Å; I994-M999 VanDerWaalsContact O-CG 3.29Å; I994-M999 WeakPolarHBondContact O-CG 3.45Å; I994-M999 PolarHBondContact O-N 2.87Å; I994-C1042 HydrophobicContact CG2-CB 4.24Å; I994-L1045 HydrophobicContact CD1-CD2 3.82Å; I994-L1046 HydrophobicContact CG2-CD1 4.03Å; I994-L1046 HydrophobicContact CG2-CG 4.47Å |
| 995 | I | 76.8 | Confident | 74.7 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.077 | C | C | . | . | I | π-helix | trans | -72.4 | -43.2 | -169.7 | -62.6 | 162.4 | 0 | 0 | 0 | 112.2 | L991 L1046 T1102 L1105 L1106 | L991-I995 WeakPolarHBondContact O-CB 3.23Å; L991-I995 WeakPolarHBondContact O-CD1 3.43Å; L991-I995 VanDerWaalsContact O-CG1 3.24Å; L991-I995 WeakPolarHBondContact O-CG1 3.24Å; L991-I995 PolarHBondContact O-N 3.2Å; I995-L1046 HydrophobicContact CD1-CD2 4.28Å; I995-L1046 HydrophobicContact CG1-CD2 4.31Å; I995-T1102 HydrophobicContact CD1-CG2 4.21Å; I995-L1105 HydrophobicContact CB-CB 4.38Å; I995-L1105 HydrophobicContact CD1-CB 3.75Å; I995-L1105 HydrophobicContact CD1-CD1 4.07Å; I995-L1105 HydrophobicContact CG2-CB 3.93Å; I995-L1106 HydrophobicContact CD1-CD2 4.37Å; I995-L1106 HydrophobicContact CD1-CG 4Å; I995-L1106 HydrophobicContact CG1-CD2 4.02Å; I995-L1106 HydrophobicContact CG1-CG 4.21Å; I995-L1106 HydrophobicContact CG2-CD2 3.98Å; I995-L1106 HydrophobicContact CG2-CG 4.32Å |
| 996 | Q | 75.4 | Confident | 74.1 | Confident | 46 Ų | 46 | 12.4 Ų | 12.4 | 22% | 0.215 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -86.5 | -19.9 | -176.3 | -64.3 | -179.3 | -9 | 0 | 0 | 114.3 | V992 I1000 | V992-Q996 HydrophobicContact CG1-CG 4.39Å; V992-Q996 VanDerWaalsContact O-CB 3.3Å; V992-Q996 WeakPolarHBondContact O-CB 3.5Å; V992-Q996 PolarHBondContact O-N 3.25Å; Q996-I1000 WeakPolarHBondContact O-CD1 3.36Å |
| 997 | H | 71.4 | Confident | 73.5 | Confident | 17 Ų | 17 | 17.7 Ų | 17.7 | 8% | 0.079 | 9% | 0.086 | C | C | . | . | I | π-helix | trans | -123.3 | -59.1 | -173 | -55.5 | 76.8 | 0 | 0 | 0 | 112.5 | F993 M999 I1000 M1001 | F993-H997 HydrophobicContact CD2-CB 4.09Å; F993-H997 HydrophobicContact CE2-CB 4.12Å; F993-H997 WeakPolarHBondContact O-CA 3.44Å; F993-H997 VanDerWaalsContact O-CB 3.29Å; F993-H997 WeakPolarHBondContact O-CB 3.47Å; F993-H997 PolarHBondContact O-N 3.47Å; F993-H997 VanDerWaalsContact O-N 3.08Å; H997-M999 PolarHBondContact O-N 3.26Å; H997-I1000 PolarHBondContact O-N 3.15Å; H997-M1001 PolarHBondContact O-N 3.5Å |
| 998 | L | 75.3 | Confident | 72.7 | Confident | 7 Ų | 7 | 20.1 Ų | 20.1 | 4% | 0.037 | 10% | 0.095 | C | C | . | . | I | π-helix | trans | -67.3 | -38 | -177.5 | -61.2 | -178.3 | 0 | 0 | 0 | 112.5 | L944 F993 I994 I1000 M1001 F1002 | L944-L998 HydrophobicContact CD1-CD2 4.18Å; L944-L998 HydrophobicContact CD2-CD1 4.18Å; L944-L998 HydrophobicContact CD2-CD2 4.2Å; F993-L998 HydrophobicContact CD1-CD1 4.13Å; F993-L998 HydrophobicContact CD1-CG 4.22Å; F993-L998 HydrophobicContact CE1-CD1 3.83Å; F993-L998 HydrophobicContact CE1-CD2 3.98Å; F993-L998 HydrophobicContact CE1-CG 3.83Å; F993-L998 HydrophobicContact CZ-CD2 4.05Å; F993-L998 HydrophobicContact CZ-CG 4.26Å; F993-L998 PolarHBondContact O-N 3.04Å; I994-L998 HydrophobicContact CG1-CD1 4.15Å; I994-L998 PolarHBondContact O-N 3.02Å; L998-I1000 PolarHBondContact O-N 3.34Å; L998-M1001 WeakPolarHBondContact O-CB 3.37Å; L998-M1001 PolarHBondContact O-N 3.05Å; L998-M1001 VanDerWaalsContact O-N 3.09Å; L998-F1002 WeakPolarHBondContact O-CG 3.43Å; L998-F1002 PolarHBondContact O-N 3.44Å; L998-F1002 VanDerWaalsContact O-N 3.11Å |
| 999 | M | 76 | Confident | 71.9 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.6 | -25 | 175.9 | -66 | -137.9 | 61.6 | 0 | 0 | 113 | I994 H997 F1002 S1003 F1043 L1046 L1106 S1112 A1115 L1116 | I994-M999 HydrophobicContact CG2-CG 4.28Å; I994-M999 VanDerWaalsContact O-CG 3.29Å; I994-M999 WeakPolarHBondContact O-CG 3.45Å; I994-M999 PolarHBondContact O-N 2.87Å; H997-M999 PolarHBondContact O-N 3.26Å; M999-F1002 HydrophobicContact CE-CD2 4.26Å; M999-F1002 HydrophobicContact CG-CD2 4.19Å; M999-F1002 WeakPolarHBondContact O-CB 3.38Å; M999-F1002 PolarHBondContact O-N 3.47Å; M999-S1003 PolarHBondContact O-N 3.37Å; M999-F1043 HydrophobicContact CE-CE1 3.67Å; M999-F1043 HydrophobicContact CE-CZ 4.27Å; M999-F1043 HydrophobicContact SD-CE1 4.4Å; M999-L1046 HydrophobicContact SD-CD1 4.28Å; M999-L1106 HydrophobicContact SD-CD2 4.27Å; M999-S1112 WeakPolarHBondContact CE-O 3.26Å; M999-A1115 HydrophobicContact CB-CB 4.43Å; M999-A1115 HydrophobicContact CE-CB 3.87Å; M999-A1115 WeakPolarHBondContact O-CB 3.24Å; M999-L1116 HydrophobicContact CE-CB 4.47Å; M999-L1116 HydrophobicContact CE-CD2 3.75Å; M999-L1116 HydrophobicContact CE-CG 3.62Å; M999-L1116 HydrophobicContact SD-CD2 4.45Å; M999-L1116 HydrophobicContact SD-CG 4.37Å |
| 1000 | I | 72.5 | Confident | 71.2 | Confident | 20 Ų | 20 | 24.3 Ų | 24.3 | 10% | 0.103 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.2 | -39.4 | 171.9 | -59 | -175.2 | 0 | 0 | 0 | 110.5 | Q996 H997 L998 F1002 S1003 R1111 | Q996-I1000 WeakPolarHBondContact O-CD1 3.36Å; H997-I1000 PolarHBondContact O-N 3.15Å; L998-I1000 PolarHBondContact O-N 3.34Å; I1000-F1002 VanDerWaalsContact C-N 3.28Å; I1000-F1002 PolarHBondContact O-N 3.01Å; I1000-S1003 WeakPolarHBondContact O-CB 3.49Å; I1000-S1003 PolarHBondContact O-N 3.11Å; I1000-S1003 VanDerWaalsContact O-N 3.13Å; I1000-S1003 PolarHBondContact O-OG 3.46Å; I1000-R1111 VanDerWaalsContact CD1-CZ 3.44Å; I1000-R1111 HydrophobicContact CG1-CB 4.39Å |
| 1001 | M | 70.4 | Confident | 70.1 | Confident | 36 Ų | 36 | 26.4 Ų | 26.4 | 18% | 0.177 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61 | -39.8 | 172.7 | -60.7 | -65.2 | -74.4 | 0 | 0 | 111.4 | F931 H997 L998 S1003 Q1004 | F931-M1001 HydrophobicContact CD1-CE 3.91Å; F931-M1001 HydrophobicContact CD1-SD 3.93Å; F931-M1001 HydrophobicContact CE1-CE 3.93Å; F931-M1001 HydrophobicContact CE1-SD 3.78Å; F931-M1001 HydrophobicContact CZ-SD 4.48Å; H997-M1001 PolarHBondContact O-N 3.5Å; L998-M1001 WeakPolarHBondContact O-CB 3.37Å; L998-M1001 PolarHBondContact O-N 3.05Å; L998-M1001 VanDerWaalsContact O-N 3.09Å; M1001-S1003 PolarHBondContact O-N 3.45Å; M1001-Q1004 WeakPolarHBondContact O-CB 3.47Å; M1001-Q1004 PolarHBondContact O-N 2.87Å; M1001-Q1004 VanDerWaalsContact O-N 3.1Å |
| 1002 | F | 73.1 | Confident | 68.8 | Low | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.7 | -19.2 | 176.5 | -61.8 | -20.1 | 0 | 0 | 0 | 114.1 | L998 M999 I1000 Q1004 V1005 L1035 L1038 A1039 C1042 F1043 A1115 F1119 | L998-F1002 WeakPolarHBondContact O-CG 3.43Å; L998-F1002 PolarHBondContact O-N 3.44Å; L998-F1002 VanDerWaalsContact O-N 3.11Å; M999-F1002 HydrophobicContact CE-CD2 4.26Å; M999-F1002 HydrophobicContact CG-CD2 4.19Å; M999-F1002 WeakPolarHBondContact O-CB 3.38Å; M999-F1002 PolarHBondContact O-N 3.47Å; I1000-F1002 VanDerWaalsContact C-N 3.28Å; I1000-F1002 PolarHBondContact O-N 3.01Å; F1002-Q1004 PolarHBondContact O-N 3.32Å; F1002-V1005 VanDerWaalsContact O-CG2 3.31Å; F1002-V1005 WeakPolarHBondContact O-CG2 3.46Å; F1002-V1005 PolarHBondContact O-N 2.95Å; F1002-L1035 HydrophobicContact CD1-CD1 3.95Å; F1002-L1035 HydrophobicContact CD1-CG 4.36Å; F1002-L1035 HydrophobicContact CE1-CD1 4.04Å; F1002-L1038 HydrophobicContact CE1-CD2 4.12Å; F1002-L1038 HydrophobicContact CE1-CG 4.22Å; F1002-L1038 HydrophobicContact CZ-CD2 4.3Å; F1002-L1038 HydrophobicContact CZ-CG 4.05Å; F1002-A1039 HydrophobicContact CD1-CB 4.41Å; F1002-A1039 HydrophobicContact CE1-CB 4Å; F1002-A1039 HydrophobicContact CE2-CB 4.12Å; F1002-A1039 HydrophobicContact CZ-CB 3.85Å; F1002-C1042 HydrophobicContact CE2-CB 3.85Å; F1002-C1042 HydrophobicContact CZ-CB 4.17Å; F1002-F1043 HydrophobicContact CD2-CE1 4Å; F1002-F1043 HydrophobicContact CD2-CZ 4.08Å; F1002-F1043 HydrophobicContact CE2-CE1 4.14Å; F1002-F1043 HydrophobicContact CE2-CZ 4.43Å; F1002-A1115 HydrophobicContact CB-CB 4.07Å; F1002-F1119 HydrophobicContact CB-CD2 3.87Å; F1002-F1119 HydrophobicContact CB-CE2 3.7Å; F1002-F1119 AromaticContact CD1-CE2 3.81Å; F1002-F1119 HydrophobicContact CD1-CE2 3.81Å; F1002-F1119 HydrophobicContact CD2-CE2 4.4Å; F1002-F1119 HydrophobicContact CG-CD2 4.21Å; F1002-F1119 AromaticContact CG-CE2 3.72Å; F1002-F1119 HydrophobicContact CG-CE2 3.72Å |
| 1003 | S | 69.2 | Low | 67.5 | Low | 52 Ų | 52 | 29.9 Ų | 29.9 | 36% | 0.364 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -14 | 172.3 | 74.3 | 0 | 0 | 0 | 0 | 113.8 | M999 I1000 M1001 | M999-S1003 PolarHBondContact O-N 3.37Å; I1000-S1003 WeakPolarHBondContact O-CB 3.49Å; I1000-S1003 PolarHBondContact O-N 3.11Å; I1000-S1003 VanDerWaalsContact O-N 3.13Å; I1000-S1003 PolarHBondContact O-OG 3.46Å; M1001-S1003 PolarHBondContact O-N 3.45Å |
| 1004 | Q | 67 | Low | 66 | Low | 53 Ų | 53 | 35.1 Ų | 35.1 | 25% | 0.248 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 3.6 | -179.6 | -57.9 | -176.3 | 3.8 | 0 | 0 | 114 | M1001 F1002 D1006 Y1007 Y1008 | M1001-Q1004 WeakPolarHBondContact O-CB 3.47Å; M1001-Q1004 PolarHBondContact O-N 2.87Å; M1001-Q1004 VanDerWaalsContact O-N 3.1Å; F1002-Q1004 PolarHBondContact O-N 3.32Å; Q1004-D1006 PolarHBondContact O-N 3.41Å; Q1004-Y1007 WeakPolarHBondContact O-CB 3.46Å; Q1004-Y1007 PolarHBondContact O-N 3.1Å; Q1004-Y1008 HydrophobicContact CB-CD2 4.42Å; Q1004-Y1008 HydrophobicContact CB-CE2 4.08Å; Q1004-Y1008 VanDerWaalsContact O-CD2 3.32Å; Q1004-Y1008 WeakPolarHBondContact O-CD2 3.39Å; Q1004-Y1008 PolarHBondContact O-N 3.41Å |
| 1005 | V | 66.8 | Low | 64.4 | Low | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -49.5 | -43.7 | -179 | 158.7 | 0 | 0 | 0 | 0 | 112.8 | F1002 Y1007 Y1008 A1009 F1032 L1035 F1119 I1122 | F1002-V1005 VanDerWaalsContact O-CG2 3.31Å; F1002-V1005 WeakPolarHBondContact O-CG2 3.46Å; F1002-V1005 PolarHBondContact O-N 2.95Å; V1005-Y1007 VanDerWaalsContact C-N 3.29Å; V1005-Y1007 PolarHBondContact O-N 2.84Å; V1005-Y1008 PolarHBondContact O-N 3.49Å; V1005-A1009 WeakPolarHBondContact O-CB 3.47Å; V1005-A1009 PolarHBondContact O-N 3.06Å; V1005-F1032 HydrophobicContact CG1-CE2 4.4Å; V1005-L1035 HydrophobicContact CG2-CD2 4.15Å; V1005-F1119 HydrophobicContact CG2-CD1 4.33Å; V1005-F1119 HydrophobicContact CG2-CD2 3.71Å; V1005-F1119 HydrophobicContact CG2-CE1 4.04Å; V1005-F1119 HydrophobicContact CG2-CE2 3.37Å; V1005-F1119 HydrophobicContact CG2-CG 4.18Å; V1005-F1119 HydrophobicContact CG2-CZ 3.55Å; V1005-I1122 HydrophobicContact CG1-CD1 3.97Å; V1005-I1122 HydrophobicContact CG1-CG1 3.8Å |
| 1006 | D | 61.1 | Low | 62.9 | Low | 18 Ų | 18 | 41.1 Ų | 41.1 | 10% | 0.096 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.4 | -38.3 | 179 | -66.6 | 11.2 | 0 | 0 | 0 | 112.6 | Q1004 A1009 E1010 Y1205 S1208 | Q1004-D1006 PolarHBondContact O-N 3.41Å; D1006-A1009 WeakPolarHBondContact O-CB 3.38Å; D1006-A1009 PolarHBondContact O-N 3.32Å; D1006-E1010 WeakPolarHBondContact O-CB 3.5Å; D1006-E1010 PolarHBondContact O-N 3.46Å; D1006-Y1205 PolarHBondContact OD2-OH 3Å; D1006-S1208 WeakPolarHBondContact CB-OG 3.24Å; D1006-S1208 VanDerWaalsContact CG-OG 3.31Å; D1006-S1208 PolarHBondContact OD2-N 3.47Å; D1006-S1208 PolarHBondContact OD2-OG 3.16Å |
| 1007 | Y | 63.3 | Low | 61.3 | Low | 110 Ų | 110 | 45.3 Ų | 45.3 | 43% | 0.431 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68 | -38.6 | 179.2 | 176.5 | -101.7 | 0 | 0 | 0 | 111.9 | Q1004 V1005 N1011 | Q1004-Y1007 WeakPolarHBondContact O-CB 3.46Å; Q1004-Y1007 PolarHBondContact O-N 3.1Å; V1005-Y1007 VanDerWaalsContact C-N 3.29Å; V1005-Y1007 PolarHBondContact O-N 2.84Å; Y1007-N1011 WeakPolarHBondContact CE2-ND2 3.49Å; Y1007-N1011 WeakPolarHBondContact O-CB 3.34Å; Y1007-N1011 PolarHBondContact O-N 3.21Å; Y1007-N1011 PolarHBondContact O-ND2 3.45Å |
| 1008 | Y | 61.1 | Low | 59.6 | Low | 53 Ų | 53 | 49.7 Ų | 49.7 | 21% | 0.208 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.3 | -38.5 | 173.2 | -68.4 | -81.1 | 0 | 0 | 0 | 111.3 | Q1004 V1005 F1012 L1035 | Q1004-Y1008 HydrophobicContact CB-CD2 4.42Å; Q1004-Y1008 HydrophobicContact CB-CE2 4.08Å; Q1004-Y1008 VanDerWaalsContact O-CD2 3.32Å; Q1004-Y1008 WeakPolarHBondContact O-CD2 3.39Å; Q1004-Y1008 PolarHBondContact O-N 3.41Å; V1005-Y1008 PolarHBondContact O-N 3.49Å; Y1008-F1012 VanDerWaalsContact O-CB 3.25Å; Y1008-F1012 WeakPolarHBondContact O-CB 3.46Å; Y1008-F1012 PolarHBondContact O-N 2.85Å; Y1008-L1035 HydrophobicContact CD2-CD2 4.26Å; Y1008-L1035 HydrophobicContact CE2-CD2 4.48Å |
| 1009 | A | 59.7 | Low | 57.6 | Low | 8 Ų | 8 | 56.1 Ų | 56.1 | 7% | 0.066 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1005 D1006 F1012 S1013 I1126 | V1005-A1009 WeakPolarHBondContact O-CB 3.47Å; V1005-A1009 PolarHBondContact O-N 3.06Å; D1006-A1009 WeakPolarHBondContact O-CB 3.38Å; D1006-A1009 PolarHBondContact O-N 3.32Å; A1009-F1012 PolarHBondContact O-N 3.32Å; A1009-S1013 PolarHBondContact O-N 3.42Å; A1009-I1126 HydrophobicContact CB-CD1 3.61Å |
| 1010 | E | 60.2 | Low | 55.8 | Low | 88 Ų | 88 | 60.2 Ų | 60.2 | 41% | 0.411 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 177.5 | -173.9 | -173 | -165.9 | 0 | 0 | 111.4 | D1006 F1012 S1013 M1014 F1209 | D1006-E1010 WeakPolarHBondContact O-CB 3.5Å; D1006-E1010 PolarHBondContact O-N 3.46Å; E1010-F1012 VanDerWaalsContact C-N 3.31Å; E1010-F1012 PolarHBondContact O-N 3.38Å; E1010-S1013 PolarHBondContact O-N 2.86Å; E1010-S1013 PolarHBondContact O-OG 3.08Å; E1010-M1014 HydrophobicContact CG-CG 4.31Å; E1010-M1014 WeakPolarHBondContact O-CG 3.49Å; E1010-M1014 PolarHBondContact O-N 3.12Å; E1010-F1209 HydrophobicContact CB-CD2 4.12Å; E1010-F1209 HydrophobicContact CG-CD2 4.24Å |
| 1011 | N | 56.6 | Low | 54.1 | Low | 44 Ų | 44 | 64.9 Ų | 64.9 | 24% | 0.235 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.7 | -34.7 | 177.4 | -80.7 | -74.9 | 0 | 0 | 0 | 112.4 | Y1007 N1015 L1028 | Y1007-N1011 WeakPolarHBondContact CE2-ND2 3.49Å; Y1007-N1011 WeakPolarHBondContact O-CB 3.34Å; Y1007-N1011 PolarHBondContact O-N 3.21Å; Y1007-N1011 PolarHBondContact O-ND2 3.45Å; N1011-N1015 PolarHBondContact O-N 3.48Å; N1011-N1015 PolarHBondContact O-ND2 3.13Å; N1011-L1028 HydrophobicContact CB-CD1 4.49Å |
| 1012 | F | 52.5 | Low | 52.9 | Low | 54 Ų | 54 | 67.1 Ų | 67.1 | 24% | 0.237 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.4 | -33.2 | 174.6 | -174.5 | -103.6 | 0 | 0 | 0 | 112.5 | Y1008 A1009 E1010 K1029 | Y1008-F1012 VanDerWaalsContact O-CB 3.25Å; Y1008-F1012 WeakPolarHBondContact O-CB 3.46Å; Y1008-F1012 PolarHBondContact O-N 2.85Å; A1009-F1012 PolarHBondContact O-N 3.32Å; E1010-F1012 VanDerWaalsContact C-N 3.31Å; E1010-F1012 PolarHBondContact O-N 3.38Å; F1012-K1029 HydrophobicContact CE2-CB 3.98Å; F1012-K1029 HydrophobicContact CE2-CD 4.4Å; F1012-K1029 HydrophobicContact CE2-CG 3.78Å; F1012-K1029 HydrophobicContact CZ-CG 4.37Å |
| 1013 | S | 51.9 | Low | 51.5 | Low | 19 Ų | 19 | 74.9 Ų | 74.9 | 13% | 0.133 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -78.3 | -49.5 | 176.7 | 67.6 | 0 | 0 | 0 | 0 | 113 | A1009 E1010 N1015 S1016 F1209 | A1009-S1013 PolarHBondContact O-N 3.42Å; E1010-S1013 PolarHBondContact O-N 2.86Å; E1010-S1013 PolarHBondContact O-OG 3.08Å; S1013-N1015 PolarHBondContact O-N 2.69Å; S1013-S1016 WeakPolarHBondContact O-CB 3.39Å; S1013-S1016 PolarHBondContact O-N 3.17Å; S1013-S1016 VanDerWaalsContact O-N 3.12Å; S1013-S1016 PolarHBondContact O-OG 3.11Å; S1013-F1209 WeakPolarHBondContact OG-CE2 3.27Å; S1013-F1209 WeakPolarHBondContact OG-CZ 3.4Å |
| 1014 | M | 47.6 | Very low | 50.2 | Low | 112 Ų | 112 | 78.8 Ų | 78.8 | 55% | 0.552 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.8 | -45 | -173.1 | -75 | -67.8 | -165.9 | 0 | 0 | 112.5 | E1010 S1016 I1017 | E1010-M1014 HydrophobicContact CG-CG 4.31Å; E1010-M1014 WeakPolarHBondContact O-CG 3.49Å; E1010-M1014 PolarHBondContact O-N 3.12Å; M1014-S1016 PolarHBondContact O-N 3.43Å; M1014-S1016 VanDerWaalsContact O-N 3.11Å; M1014-I1017 PolarHBondContact O-N 3.13Å |
| 1015 | N | 45.3 | Very low | 49.1 | Very low | 65 Ų | 65 | 79 Ų | 79 | 35% | 0.348 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | 1.9 | -179.7 | -62.6 | -65.6 | 0 | 0 | 0 | 113.6 | N1011 S1013 N1025 | N1011-N1015 PolarHBondContact O-N 3.48Å; N1011-N1015 PolarHBondContact O-ND2 3.13Å; S1013-N1015 PolarHBondContact O-N 2.69Å; N1015-N1025 WeakPolarHBondContact CB-OD1 3.29Å; N1015-N1025 PolarHBondContact O-ND2 3.03Å |
| 1016 | S | 44.7 | Very low | 48.1 | Very low | 60 Ų | 60 | 83.7 Ų | 83.7 | 42% | 0.42 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -13 | 170.3 | 72.7 | 0 | 0 | 0 | 0 | 113.9 | S1013 M1014 R1129 | S1013-S1016 WeakPolarHBondContact O-CB 3.39Å; S1013-S1016 PolarHBondContact O-N 3.17Å; S1013-S1016 VanDerWaalsContact O-N 3.12Å; S1013-S1016 PolarHBondContact O-OG 3.11Å; M1014-S1016 PolarHBondContact O-N 3.43Å; M1014-S1016 VanDerWaalsContact O-N 3.11Å; S1016-R1129 PolarHBondContact OG-NH1 2.9Å |
| 1017 | I | 41.5 | Very low | 47.3 | Very low | 135 Ų | 135 | 87 Ų | 87 | 69% | 0.692 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | -30 | -175.3 | -60.9 | 177.8 | 0 | 0 | 0 | 112.3 | M1014 | M1014-I1017 PolarHBondContact O-N 3.13Š|
| 1018 | N | 34.8 | Very low | 46.6 | Very low | 109 Ų | 109 | 83.7 Ų | 83.7 | 58% | 0.583 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -123.3 | 135.2 | -178.2 | -78.9 | -59.6 | 0 | 0 | 0 | 113.5 | ||
| 1019 | N | 34.7 | Very low | 46.2 | Very low | 142 Ų | 142 | 83 Ų | 83 | 76% | 0.759 | 44% | 0.443 | S | S | * | . | trans | 62.9 | 84.9 | 158.8 | -59.7 | -33.3 | 0 | 0 | 0 | 119.7 | L1021 | N1019-L1021 VanDerWaalsContact C-N 3.27Å; N1019-L1021 PolarHBondContact O-N 3.47Å | ||
| 1020 | G | 38.3 | Very low | 45.8 | Very low | 85 Ų | 85 | 85.9 Ų | 85.9 | 88% | 0.876 | 46% | 0.46 | S | S | * | . | S | Bend | 59.1 | -5.8 | 119.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||
| 1021 | L | 36.9 | Very low | 45.7 | Very low | 119 Ų | 119 | 82.7 Ų | 82.7 | 62% | 0.623 | 45% | 0.445 | S | S | * | . | trans | -116.2 | 61.1 | -170.3 | -91.5 | 162 | 0 | 0 | 0 | 112.5 | N1019 Q1023 K1024 | N1019-L1021 VanDerWaalsContact C-N 3.27Å; N1019-L1021 PolarHBondContact O-N 3.47Å; L1021-Q1023 PolarHBondContact O-N 3.21Å; L1021-K1024 PolarHBondContact O-N 2.96Å | ||
| 1022 | I | 45 | Very low | 46.2 | Very low | 82 Ų | 82 | 81.1 Ų | 81.1 | 42% | 0.421 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -47.6 | -33.5 | -175.2 | -65.3 | 166.7 | 0 | 0 | 0 | 113.6 | T254 K1024 N1025 H1026 | T254-I1022 VanDerWaalsContact O-CD1 3.23Å; T254-I1022 WeakPolarHBondContact O-CD1 3.42Å; I1022-K1024 PolarHBondContact O-N 3.3Å; I1022-N1025 PolarHBondContact O-N 3.14Å; I1022-H1026 PolarHBondContact O-CD2 3.05Å; I1022-H1026 PolarHBondContact O-N 2.89Å |
| 1023 | Q | 42.5 | Very low | 46.8 | Very low | 164 Ų | 164 | 80.6 Ų | 80.6 | 77% | 0.766 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.7 | -34.7 | 179.3 | -74.5 | -178.5 | -39.3 | 0 | 0 | 114.4 | L1021 | L1021-Q1023 PolarHBondContact O-N 3.21Å |
| 1024 | K | 42.7 | Very low | 47.6 | Very low | 134 Ų | 134 | 81 Ų | 81 | 58% | 0.583 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -71.4 | -36.9 | 178.4 | -86.6 | -165.8 | 169 | -167.7 | 0 | 112.5 | L1021 I1022 H1026 L1027 L1028 | L1021-K1024 PolarHBondContact O-N 2.96Å; I1022-K1024 PolarHBondContact O-N 3.3Å; K1024-H1026 VanDerWaalsContact C-N 3.25Å; K1024-H1026 PolarHBondContact O-N 3.48Å; K1024-L1027 PolarHBondContact O-N 3.38Å; K1024-L1028 PolarHBondContact O-N 3.18Å |
| 1025 | N | 43.8 | Very low | 48.9 | Very low | 58 Ų | 58 | 76 Ų | 76 | 31% | 0.31 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68 | -26 | -177.8 | -66.3 | 5.4 | 0 | 0 | 0 | 112.4 | N1015 I1022 K1029 | N1015-N1025 WeakPolarHBondContact CB-OD1 3.29Å; N1015-N1025 PolarHBondContact O-ND2 3.03Å; I1022-N1025 PolarHBondContact O-N 3.14Å; N1025-K1029 PolarHBondContact O-N 3.42Å |
| 1026 | H | 45.5 | Very low | 50.1 | Low | 99 Ų | 99 | 73 Ų | 73 | 46% | 0.458 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -74 | -39.9 | 175.6 | -81.8 | -69.7 | 0 | 0 | 0 | 113.4 | I1022 K1024 K1029 V1030 | I1022-H1026 PolarHBondContact O-CD2 3.05Å; I1022-H1026 PolarHBondContact O-N 2.89Å; K1024-H1026 VanDerWaalsContact C-N 3.25Å; K1024-H1026 PolarHBondContact O-N 3.48Å; H1026-K1029 PolarHBondContact O-N 3.01Å; H1026-V1030 VanDerWaalsContact O-CG2 3.32Å; H1026-V1030 WeakPolarHBondContact O-CG2 3.3Å; H1026-V1030 PolarHBondContact O-N 3.15Å |
| 1027 | L | 44.4 | Very low | 51.6 | Low | 86 Ų | 86 | 71.7 Ų | 71.7 | 45% | 0.45 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.9 | -55.7 | 174.9 | -84.6 | 151.7 | 0 | 0 | 0 | 110.5 | Y935 K1024 K1029 V1030 D1031 | Y935-L1027 HydrophobicContact CE1-CB 4.41Å; K1024-L1027 PolarHBondContact O-N 3.38Å; L1027-K1029 PolarHBondContact O-N 3.27Å; L1027-K1029 VanDerWaalsContact O-N 3.11Å; L1027-V1030 PolarHBondContact O-N 2.95Å; L1027-D1031 PolarHBondContact O-N 3.48Å |
| 1028 | L | 49.7 | Very low | 53.4 | Low | 42 Ų | 42 | 65.5 Ų | 65.5 | 22% | 0.22 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.2 | -30.9 | 178.7 | -67.8 | 171.9 | 0 | 0 | 0 | 113.7 | N1011 K1024 F1032 | N1011-L1028 HydrophobicContact CB-CD1 4.49Å; K1024-L1028 PolarHBondContact O-N 3.18Å; L1028-F1032 WeakPolarHBondContact O-CB 3.45Å; L1028-F1032 PolarHBondContact O-N 2.93Å |
| 1029 | K | 51 | Low | 55.6 | Low | 39 Ų | 39 | 60.3 Ų | 60.3 | 17% | 0.17 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.5 | -47.2 | 173.1 | -162.9 | -164.6 | -177.8 | -145.3 | 0 | 111.8 | F1012 N1025 H1026 L1027 D1031 F1032 D1033 T1133 | F1012-K1029 HydrophobicContact CE2-CB 3.98Å; F1012-K1029 HydrophobicContact CE2-CD 4.4Å; F1012-K1029 HydrophobicContact CE2-CG 3.78Å; F1012-K1029 HydrophobicContact CZ-CG 4.37Å; N1025-K1029 PolarHBondContact O-N 3.42Å; H1026-K1029 PolarHBondContact O-N 3.01Å; L1027-K1029 PolarHBondContact O-N 3.27Å; L1027-K1029 VanDerWaalsContact O-N 3.11Å; K1029-D1031 VanDerWaalsContact C-N 3.29Å; K1029-D1031 PolarHBondContact O-N 2.73Å; K1029-F1032 PolarHBondContact O-N 2.82Å; K1029-D1033 WeakPolarHBondContact CE-OD2 3.39Å; K1029-D1033 IonicContact NZ-OD2 3.64Å; K1029-D1033 PolarHBondContact NZ-OD2 3.24Å; K1029-D1033 PolarHBondContact O-N 3.09Å; K1029-T1133 PolarHBondContact NZ-OG1 3.08Å |
| 1030 | V | 51.5 | Low | 57.8 | Low | 67 Ų | 67 | 54 Ų | 54 | 41% | 0.406 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 179.8 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | H1026 L1027 Q1034 | H1026-V1030 VanDerWaalsContact O-CG2 3.32Å; H1026-V1030 WeakPolarHBondContact O-CG2 3.3Å; H1026-V1030 PolarHBondContact O-N 3.15Å; L1027-V1030 PolarHBondContact O-N 2.95Å; V1030-Q1034 WeakPolarHBondContact O-CB 3.5Å; V1030-Q1034 VanDerWaalsContact O-CG 3.27Å; V1030-Q1034 WeakPolarHBondContact O-CG 3.43Å; V1030-Q1034 PolarHBondContact O-N 3.44Å |
| 1031 | D | 59.6 | Low | 59.8 | Low | 21 Ų | 21 | 51.1 Ų | 51.1 | 11% | 0.112 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 176 | -58.4 | -29.4 | 0 | 0 | 0 | 111.6 | L1027 K1029 Q1034 L1035 | L1027-D1031 PolarHBondContact O-N 3.48Å; K1029-D1031 VanDerWaalsContact C-N 3.29Å; K1029-D1031 PolarHBondContact O-N 2.73Å; D1031-Q1034 PolarHBondContact O-N 3.25Å; D1031-L1035 WeakPolarHBondContact O-CB 3.36Å; D1031-L1035 PolarHBondContact O-N 3.26Å |
| 1032 | F | 66.8 | Low | 62 | Low | 11 Ų | 11 | 45.4 Ų | 45.4 | 5% | 0.048 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.8 | -45.5 | 178.4 | -177.8 | -97.4 | 0 | 0 | 0 | 113.4 | V1005 L1028 K1029 Q1034 L1035 A1036 I1122 T1163 | V1005-F1032 HydrophobicContact CG1-CE2 4.4Å; L1028-F1032 WeakPolarHBondContact O-CB 3.45Å; L1028-F1032 PolarHBondContact O-N 2.93Å; K1029-F1032 PolarHBondContact O-N 2.82Å; F1032-Q1034 PolarHBondContact O-N 2.9Å; F1032-L1035 PolarHBondContact O-N 3.41Å; F1032-A1036 WeakPolarHBondContact O-CB 3.34Å; F1032-A1036 PolarHBondContact O-N 3.1Å; F1032-I1122 HydrophobicContact CZ-CD1 4.36Å; F1032-T1163 HydrophobicContact CE1-CG2 3.79Å; F1032-T1163 HydrophobicContact CZ-CG2 3.93Å |
| 1033 | D | 64.9 | Low | 63.9 | Low | 43 Ų | 43 | 41.5 Ų | 41.5 | 23% | 0.23 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64 | -29.5 | 177.9 | -71 | -22.3 | 0 | 0 | 0 | 110.3 | K1029 N1037 Q1130 | K1029-D1033 WeakPolarHBondContact CE-OD2 3.39Å; K1029-D1033 IonicContact NZ-OD2 3.64Å; K1029-D1033 PolarHBondContact NZ-OD2 3.24Å; K1029-D1033 PolarHBondContact O-N 3.09Å; D1033-N1037 WeakPolarHBondContact O-CB 3.07Å; D1033-N1037 PolarHBondContact O-N 3.11Å; D1033-N1037 VanDerWaalsContact O-N 3.16Å; D1033-Q1130 PolarHBondContact OD1-NE2 3.16Å |
| 1034 | Q | 68.7 | Low | 65.7 | Low | 28 Ų | 28 | 36.2 Ų | 36.2 | 13% | 0.131 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -79 | -39.3 | 172.9 | -73.1 | 175.8 | 27.6 | 0 | 0 | 114 | Y941 V1030 D1031 F1032 A1036 N1037 L1038 | Y941-Q1034 HydrophobicContact CD2-CB 4.25Å; Y941-Q1034 HydrophobicContact CG-CB 4.25Å; V1030-Q1034 WeakPolarHBondContact O-CB 3.5Å; V1030-Q1034 VanDerWaalsContact O-CG 3.27Å; V1030-Q1034 WeakPolarHBondContact O-CG 3.43Å; V1030-Q1034 PolarHBondContact O-N 3.44Å; D1031-Q1034 PolarHBondContact O-N 3.25Å; F1032-Q1034 PolarHBondContact O-N 2.9Å; Q1034-A1036 VanDerWaalsContact C-N 3.26Å; Q1034-A1036 PolarHBondContact O-N 3.05Å; Q1034-N1037 PolarHBondContact O-N 3.49Å; Q1034-L1038 PolarHBondContact O-N 3.37Å |
| 1035 | L | 73.9 | Confident | 67.6 | Low | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.8 | -41.1 | 171.6 | -172.9 | 73.4 | 0 | 0 | 0 | 110.8 | Y941 F1002 V1005 Y1008 D1031 F1032 L1038 A1039 F1119 | Y941-L1035 HydrophobicContact CE1-CD1 4.4Å; F1002-L1035 HydrophobicContact CD1-CD1 3.95Å; F1002-L1035 HydrophobicContact CD1-CG 4.36Å; F1002-L1035 HydrophobicContact CE1-CD1 4.04Å; V1005-L1035 HydrophobicContact CG2-CD2 4.15Å; Y1008-L1035 HydrophobicContact CD2-CD2 4.26Å; Y1008-L1035 HydrophobicContact CE2-CD2 4.48Å; D1031-L1035 WeakPolarHBondContact O-CB 3.36Å; D1031-L1035 PolarHBondContact O-N 3.26Å; F1032-L1035 PolarHBondContact O-N 3.41Å; L1035-L1038 PolarHBondContact O-N 3.48Å; L1035-A1039 WeakPolarHBondContact O-CB 3.1Å; L1035-A1039 PolarHBondContact O-N 3.2Å; L1035-F1119 HydrophobicContact CG-CZ 4.49Å |
| 1036 | A | 72.1 | Confident | 69.5 | Low | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.6 | -39.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1032 Q1034 A1039 E1040 T1163 | F1032-A1036 WeakPolarHBondContact O-CB 3.34Å; F1032-A1036 PolarHBondContact O-N 3.1Å; Q1034-A1036 VanDerWaalsContact C-N 3.26Å; Q1034-A1036 PolarHBondContact O-N 3.05Å; A1036-A1039 PolarHBondContact O-N 3.41Å; A1036-E1040 PolarHBondContact O-N 3.08Å; A1036-T1163 HydrophobicContact CB-CG2 4.2Å; A1036-T1163 VanDerWaalsContact CB-OG1 3.25Å; A1036-T1163 WeakPolarHBondContact CB-OG1 3.47Å |
| 1037 | N | 74.6 | Confident | 71.2 | Confident | 32 Ų | 32 | 23.5 Ų | 23.5 | 17% | 0.171 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.4 | -41 | 174.9 | -171.8 | 18.9 | 0 | 0 | 0 | 112 | I945 D1033 Q1034 A1039 E1040 H1041 P1162 | I945-N1037 HydrophobicContact CD1-CB 4.47Å; D1033-N1037 WeakPolarHBondContact O-CB 3.07Å; D1033-N1037 PolarHBondContact O-N 3.11Å; D1033-N1037 VanDerWaalsContact O-N 3.16Å; Q1034-N1037 PolarHBondContact O-N 3.49Å; N1037-A1039 VanDerWaalsContact C-N 3.34Å; N1037-E1040 PolarHBondContact O-N 3.13Å; N1037-H1041 PolarHBondContact O-N 3.37Å; N1037-H1041 PolarHBondContact O-ND1 3.35Å; N1037-H1041 PolarHBondContact OD1-CE1 2.92Å; N1037-H1041 PolarHBondContact OD1-ND1 3.39Å; N1037-P1162 HydrophobicContact CB-CB 4.25Å |
| 1038 | L | 80.2 | Confident | 72.7 | Confident | 5 Ų | 5 | 20.8 Ų | 20.8 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.1 | -41.3 | 172.4 | -179.7 | 65.1 | 0 | 0 | 0 | 111.4 | Y941 L944 I945 I948 F1002 Q1034 L1035 H1041 C1042 | Y941-L1038 HydrophobicContact CD1-CB 4.36Å; Y941-L1038 HydrophobicContact CD1-CD2 4Å; Y941-L1038 HydrophobicContact CE1-CD2 4.2Å; L944-L1038 HydrophobicContact CB-CD1 3.74Å; L944-L1038 HydrophobicContact CD1-CD1 4.46Å; L944-L1038 HydrophobicContact CD1-CD2 3.96Å; I945-L1038 HydrophobicContact CG1-CB 4.5Å; I945-L1038 HydrophobicContact CG1-CD1 3.93Å; I948-L1038 HydrophobicContact CD1-CD1 3.55Å; F1002-L1038 HydrophobicContact CE1-CD2 4.12Å; F1002-L1038 HydrophobicContact CE1-CG 4.22Å; F1002-L1038 HydrophobicContact CZ-CD2 4.3Å; F1002-L1038 HydrophobicContact CZ-CG 4.05Å; Q1034-L1038 PolarHBondContact O-N 3.37Å; L1035-L1038 PolarHBondContact O-N 3.48Å; L1038-H1041 PolarHBondContact O-N 2.95Å; L1038-C1042 PolarHBondContact O-N 3.28Å; L1038-C1042 PolarHBondContact O-SG 3.39Å |
| 1039 | A | 80.9 | Confident | 74.2 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.5 | -39.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1002 L1035 A1036 N1037 H1041 C1042 F1043 F1119 A1166 | F1002-A1039 HydrophobicContact CD1-CB 4.41Å; F1002-A1039 HydrophobicContact CE1-CB 4Å; F1002-A1039 HydrophobicContact CE2-CB 4.12Å; F1002-A1039 HydrophobicContact CZ-CB 3.85Å; L1035-A1039 WeakPolarHBondContact O-CB 3.1Å; L1035-A1039 PolarHBondContact O-N 3.2Å; A1036-A1039 PolarHBondContact O-N 3.41Å; N1037-A1039 VanDerWaalsContact C-N 3.34Å; A1039-H1041 PolarHBondContact O-N 2.74Å; A1039-C1042 PolarHBondContact O-N 3.34Å; A1039-F1043 HydrophobicContact CB-CD2 4.34Å; A1039-F1043 HydrophobicContact CB-CE2 3.86Å; A1039-F1043 HydrophobicContact CB-CZ 4.12Å; A1039-F1043 WeakPolarHBondContact O-CB 3.5Å; A1039-F1043 VanDerWaalsContact O-CD2 3.26Å; A1039-F1043 WeakPolarHBondContact O-CD2 3.3Å; A1039-F1043 WeakPolarHBondContact O-CG 3.34Å; A1039-F1043 PolarHBondContact O-N 3.24Å; A1039-F1119 HydrophobicContact CB-CD2 4.25Å; A1039-F1119 HydrophobicContact CB-CE1 3.9Å; A1039-F1119 HydrophobicContact CB-CE2 3.56Å; A1039-F1119 HydrophobicContact CB-CZ 3.36Å; A1039-A1166 HydrophobicContact CB-CB 4.26Å |
| 1040 | E | 81 | Confident | 75.4 | Confident | 11 Ų | 11 | 17.1 Ų | 17.1 | 5% | 0.051 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -54.2 | -50.7 | 172.6 | -179.6 | 175.6 | 167.8 | 0 | 0 | 110.9 | A1036 N1037 F1043 M1044 P1162 R1165 L1169 | A1036-E1040 PolarHBondContact O-N 3.08Å; N1037-E1040 PolarHBondContact O-N 3.13Å; E1040-F1043 PolarHBondContact O-N 2.71Å; E1040-M1044 HydrophobicContact CG-CE 4.37Å; E1040-M1044 VanDerWaalsContact O-CB 3.25Å; E1040-M1044 WeakPolarHBondContact O-CB 3.44Å; E1040-M1044 PolarHBondContact O-N 2.81Å; E1040-P1162 WeakPolarHBondContact OE2-CA 3.5Å; E1040-P1162 WeakPolarHBondContact OE2-CB 3.4Å; E1040-R1165 VanDerWaalsContact CD-CD 3.43Å; E1040-R1165 HydrophobicContact CG-CB 4.14Å; E1040-R1165 WeakPolarHBondContact OE1-CD 3.29Å; E1040-R1165 IonicContact OE1-CZ 2.66Å; E1040-R1165 IonicContact OE1-NE 2.75Å; E1040-R1165 IonicContact OE1-NH1 3.89Å; E1040-R1165 PolarHBondContact OE1-NH1 2.98Å; E1040-R1165 WeakPolarHBondContact OE2-CD 3.16Å; E1040-L1169 HydrophobicContact CG-CD1 4.02Å; E1040-L1169 WeakPolarHBondContact O-CD1 3.5Å |
| 1041 | H | 79.5 | Confident | 76.4 | Confident | 23 Ų | 23 | 17 Ų | 17 | 11% | 0.106 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.2 | -42.6 | 180 | -68.9 | 85.3 | 0 | 0 | 0 | 112.8 | I948 N949 N1037 L1038 A1039 M1044 L1045 | I948-H1041 HydrophobicContact CG2-CB 3.97Å; N949-H1041 PolarHBondContact OD1-CD2 2.99Å; N1037-H1041 PolarHBondContact O-N 3.37Å; N1037-H1041 PolarHBondContact O-ND1 3.35Å; N1037-H1041 PolarHBondContact OD1-CE1 2.92Å; N1037-H1041 PolarHBondContact OD1-ND1 3.39Å; L1038-H1041 PolarHBondContact O-N 2.95Å; A1039-H1041 PolarHBondContact O-N 2.74Å; H1041-M1044 PolarHBondContact O-N 3.44Å; H1041-L1045 PolarHBondContact O-N 2.79Å; H1041-L1045 VanDerWaalsContact O-N 3.13Å |
| 1042 | C | 83.7 | Confident | 76.8 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59 | -46.9 | 173.4 | -77.2 | 0 | 0 | 0 | 0 | 112.4 | I948 I994 F1002 L1038 A1039 L1046 | I948-C1042 VanDerWaalsContact CD1-SG 3.52Å; I994-C1042 HydrophobicContact CG2-CB 4.24Å; F1002-C1042 HydrophobicContact CE2-CB 3.85Å; F1002-C1042 HydrophobicContact CZ-CB 4.17Å; L1038-C1042 PolarHBondContact O-N 3.28Å; L1038-C1042 PolarHBondContact O-SG 3.39Å; A1039-C1042 PolarHBondContact O-N 3.34Å; C1042-L1046 WeakPolarHBondContact O-CG 3.48Å; C1042-L1046 PolarHBondContact O-N 3.26Å; C1042-L1046 VanDerWaalsContact O-N 3.1Å |
| 1043 | F | 84.1 | Confident | 76.4 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -73.6 | -30.4 | -177.9 | -59.5 | -23 | 0 | 0 | 0 | 112.2 | M999 F1002 A1039 E1040 L1046 T1047 L1116 F1119 A1166 L1169 L1173 | M999-F1043 HydrophobicContact CE-CE1 3.67Å; M999-F1043 HydrophobicContact CE-CZ 4.27Å; M999-F1043 HydrophobicContact SD-CE1 4.4Å; F1002-F1043 HydrophobicContact CD2-CE1 4Å; F1002-F1043 HydrophobicContact CD2-CZ 4.08Å; F1002-F1043 HydrophobicContact CE2-CE1 4.14Å; F1002-F1043 HydrophobicContact CE2-CZ 4.43Å; A1039-F1043 HydrophobicContact CB-CD2 4.34Å; A1039-F1043 HydrophobicContact CB-CE2 3.86Å; A1039-F1043 HydrophobicContact CB-CZ 4.12Å; A1039-F1043 WeakPolarHBondContact O-CB 3.5Å; A1039-F1043 VanDerWaalsContact O-CD2 3.26Å; A1039-F1043 WeakPolarHBondContact O-CD2 3.3Å; A1039-F1043 WeakPolarHBondContact O-CG 3.34Å; A1039-F1043 PolarHBondContact O-N 3.24Å; E1040-F1043 PolarHBondContact O-N 2.71Å; F1043-L1046 HydrophobicContact CD1-CD1 4.45Å; F1043-T1047 VanDerWaalsContact O-CB 3.29Å; F1043-T1047 WeakPolarHBondContact O-CB 3.49Å; F1043-T1047 PolarHBondContact O-N 3.48Å; F1043-T1047 PolarHBondContact O-OG1 2.99Å; F1043-L1116 HydrophobicContact CD1-CD2 4.08Å; F1043-L1116 HydrophobicContact CE1-CD2 3.78Å; F1043-L1116 HydrophobicContact CZ-CD2 4.23Å; F1043-F1119 HydrophobicContact CE2-CB 3.92Å; F1043-F1119 HydrophobicContact CE2-CD1 4.35Å; F1043-F1119 AromaticContact CE2-CD2 3.99Å; F1043-F1119 HydrophobicContact CE2-CD2 3.99Å; F1043-F1119 AromaticContact CE2-CG 3.83Å; F1043-F1119 HydrophobicContact CE2-CG 3.83Å; F1043-F1119 HydrophobicContact CZ-CB 4.11Å; F1043-F1119 AromaticContact CZ-CD2 3.76Å; F1043-F1119 HydrophobicContact CZ-CD2 3.76Å; F1043-F1119 HydrophobicContact CZ-CE2 4.43Å; F1043-F1119 HydrophobicContact CZ-CG 4.03Å; F1043-A1166 HydrophobicContact CD2-CB 4.43Å; F1043-A1166 HydrophobicContact CE2-CB 4.47Å; F1043-L1169 HydrophobicContact CB-CB 3.71Å; F1043-L1169 HydrophobicContact CB-CD1 4.27Å; F1043-L1169 HydrophobicContact CD2-CB 4.4Å; F1043-L1173 HydrophobicContact CB-CD1 3.72Å; F1043-L1173 HydrophobicContact CD1-CD1 3.93Å; F1043-L1173 HydrophobicContact CG-CD1 3.98Å |
| 1044 | M | 80.7 | Confident | 76 | Confident | 52 Ų | 52 | 28 Ų | 28 | 26% | 0.256 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -61.8 | -51.5 | 172.2 | -170.6 | -177 | -58.4 | 0 | 0 | 110.7 | E1040 H1041 L1046 T1047 D1048 L1169 | E1040-M1044 HydrophobicContact CG-CE 4.37Å; E1040-M1044 VanDerWaalsContact O-CB 3.25Å; E1040-M1044 WeakPolarHBondContact O-CB 3.44Å; E1040-M1044 PolarHBondContact O-N 2.81Å; H1041-M1044 PolarHBondContact O-N 3.44Å; M1044-L1046 PolarHBondContact O-N 2.91Å; M1044-T1047 PolarHBondContact O-N 3.1Å; M1044-T1047 VanDerWaalsContact O-N 3.12Å; M1044-D1048 PolarHBondContact O-N 2.75Å; M1044-L1169 HydrophobicContact CB-CD1 4.27Å |
| 1045 | L | 82.2 | Confident | 75.8 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 177.3 | -178.5 | 64.2 | 0 | 0 | 0 | 112.1 | I948 I951 I994 H1041 T1047 D1048 V1049 | I948-L1045 HydrophobicContact CG2-CB 4.42Å; I948-L1045 HydrophobicContact CG2-CD2 4.3Å; I951-L1045 HydrophobicContact CG2-CD1 4.48Å; I951-L1045 HydrophobicContact CG2-CD2 3.92Å; I994-L1045 HydrophobicContact CD1-CD2 3.82Å; H1041-L1045 PolarHBondContact O-N 2.79Å; H1041-L1045 VanDerWaalsContact O-N 3.13Å; L1045-T1047 VanDerWaalsContact C-N 3.29Å; L1045-T1047 PolarHBondContact O-N 3.27Å; L1045-D1048 PolarHBondContact O-N 2.75Å; L1045-V1049 HydrophobicContact CD1-CG2 4.37Å; L1045-V1049 WeakPolarHBondContact O-CB 3.46Å; L1045-V1049 VanDerWaalsContact O-CG2 3.31Å; L1045-V1049 WeakPolarHBondContact O-CG2 3.47Å; L1045-V1049 PolarHBondContact O-N 3.21Å |
| 1046 | L | 84.5 | Confident | 75.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.8 | -36.8 | 175.6 | -72.6 | 170.4 | 0 | 0 | 0 | 112.2 | L991 I994 I995 M999 C1042 F1043 M1044 L1050 T1102 L1173 | L991-L1046 HydrophobicContact CD2-CD2 3.84Å; I994-L1046 HydrophobicContact CG2-CD1 4.03Å; I994-L1046 HydrophobicContact CG2-CG 4.47Å; I995-L1046 HydrophobicContact CD1-CD2 4.28Å; I995-L1046 HydrophobicContact CG1-CD2 4.31Å; M999-L1046 HydrophobicContact SD-CD1 4.28Å; C1042-L1046 WeakPolarHBondContact O-CG 3.48Å; C1042-L1046 PolarHBondContact O-N 3.26Å; C1042-L1046 VanDerWaalsContact O-N 3.1Å; F1043-L1046 HydrophobicContact CD1-CD1 4.45Å; M1044-L1046 PolarHBondContact O-N 2.91Å; L1046-L1050 WeakPolarHBondContact O-CB 3.28Å; L1046-L1050 VanDerWaalsContact O-CG 3.26Å; L1046-L1050 WeakPolarHBondContact O-CG 3.28Å; L1046-L1050 PolarHBondContact O-N 2.85Å; L1046-T1102 HydrophobicContact CD2-CG2 3.74Å; L1046-L1173 HydrophobicContact CB-CD1 4.09Å; L1046-L1173 HydrophobicContact CB-CD2 4.04Å; L1046-L1173 HydrophobicContact CD1-CD1 4.47Å |
| 1047 | T | 82 | Confident | 74.8 | Confident | 21 Ų | 21 | 43.2 Ų | 43.2 | 13% | 0.129 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.7 | -46.7 | 177.7 | -57.6 | 0 | 0 | 0 | 0 | 110.7 | F1043 M1044 L1045 V1049 L1050 T1051 T1172 L1173 | F1043-T1047 VanDerWaalsContact O-CB 3.29Å; F1043-T1047 WeakPolarHBondContact O-CB 3.49Å; F1043-T1047 PolarHBondContact O-N 3.48Å; F1043-T1047 PolarHBondContact O-OG1 2.99Å; M1044-T1047 PolarHBondContact O-N 3.1Å; M1044-T1047 VanDerWaalsContact O-N 3.12Å; L1045-T1047 VanDerWaalsContact C-N 3.29Å; L1045-T1047 PolarHBondContact O-N 3.27Å; T1047-V1049 VanDerWaalsContact C-N 3.35Å; T1047-V1049 PolarHBondContact O-N 3.39Å; T1047-L1050 PolarHBondContact O-N 2.79Å; T1047-T1051 HydrophobicContact CG2-CG2 4.06Å; T1047-T1051 VanDerWaalsContact O-CB 3.29Å; T1047-T1051 WeakPolarHBondContact O-CB 3.4Å; T1047-T1051 VanDerWaalsContact O-CG2 3.27Å; T1047-T1051 WeakPolarHBondContact O-CG2 3.45Å; T1047-T1051 PolarHBondContact O-N 2.96Å; T1047-T1051 PolarHBondContact O-OG1 3.2Å; T1047-T1172 HydrophobicContact CG2-CG2 4.41Å; T1047-L1173 WeakPolarHBondContact OG1-CD2 3.44Å; T1047-L1173 WeakPolarHBondContact OG1-CG 3.34Å |
| 1048 | D | 76 | Confident | 74.3 | Confident | 30 Ų | 30 | 42.7 Ų | 42.7 | 16% | 0.16 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.4 | -38.5 | 178.2 | -106.5 | -43.4 | 0 | 0 | 0 | 112.3 | F955 R959 M1044 L1045 T1052 | F955-D1048 HydrophobicContact CE1-CB 4.15Å; R959-D1048 IonicContact CZ-OD1 2.84Å; R959-D1048 IonicContact NH1-OD1 3.67Å; R959-D1048 PolarHBondContact NH1-OD1 3.31Å; M1044-D1048 PolarHBondContact O-N 2.75Å; L1045-D1048 PolarHBondContact O-N 2.75Å; D1048-T1052 PolarHBondContact O-N 3.09Å |
| 1049 | V | 79.9 | Confident | 73.6 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.9 | -44.4 | 174.6 | 170 | 0 | 0 | 0 | 0 | 111.8 | F955 L991 L1045 T1047 T1052 Q1099 | F955-V1049 HydrophobicContact CD1-CG2 4.28Å; F955-V1049 HydrophobicContact CD2-CG2 4.15Å; F955-V1049 HydrophobicContact CE1-CG2 4Å; F955-V1049 HydrophobicContact CE2-CG2 3.87Å; F955-V1049 HydrophobicContact CG-CG2 4.35Å; F955-V1049 HydrophobicContact CZ-CB 4.29Å; F955-V1049 HydrophobicContact CZ-CG2 3.8Å; L991-V1049 HydrophobicContact CD2-CG2 4.48Å; L1045-V1049 HydrophobicContact CD1-CG2 4.37Å; L1045-V1049 WeakPolarHBondContact O-CB 3.46Å; L1045-V1049 VanDerWaalsContact O-CG2 3.31Å; L1045-V1049 WeakPolarHBondContact O-CG2 3.47Å; L1045-V1049 PolarHBondContact O-N 3.21Å; T1047-V1049 VanDerWaalsContact C-N 3.35Å; T1047-V1049 PolarHBondContact O-N 3.39Å; V1049-T1052 PolarHBondContact O-OG1 3.48Å; V1049-Q1099 WeakPolarHBondContact O-CG 3.42Å; V1049-Q1099 PolarHBondContact O-NE2 3.36Å; V1049-Q1099 VanDerWaalsContact O-NE2 3.12Å |
| 1050 | L | 75.7 | Confident | 73 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -79.4 | -18.2 | -178.2 | -66.8 | 170.5 | 0 | 0 | 0 | 113.9 | L1046 T1047 Q1099 T1102 L1103 L1106 L1173 H1176 L1177 L1180 | L1046-L1050 WeakPolarHBondContact O-CB 3.28Å; L1046-L1050 VanDerWaalsContact O-CG 3.26Å; L1046-L1050 WeakPolarHBondContact O-CG 3.28Å; L1046-L1050 PolarHBondContact O-N 2.85Å; T1047-L1050 PolarHBondContact O-N 2.79Å; L1050-Q1099 PolarHBondContact O-NE2 3.42Å; L1050-T1102 HydrophobicContact CD1-CG2 4.28Å; L1050-T1102 HydrophobicContact CD2-CG2 3.88Å; L1050-T1102 HydrophobicContact CG-CG2 4.07Å; L1050-L1103 HydrophobicContact CD2-CD1 4.46Å; L1050-L1103 HydrophobicContact CD2-CD2 3.99Å; L1050-L1103 HydrophobicContact CD2-CG 3.83Å; L1050-L1106 HydrophobicContact CD1-CD1 4.3Å; L1050-L1173 HydrophobicContact CD1-CD2 3.91Å; L1050-H1176 PolarHBondContact O-NE2 3.01Å; L1050-L1177 HydrophobicContact CD1-CD2 3.8Å; L1050-L1177 HydrophobicContact CD1-CG 4.34Å; L1050-L1180 HydrophobicContact CD2-CD1 4.45Å |
| 1051 | T | 72.6 | Confident | 72.2 | Confident | 63 Ų | 63 | 50.7 Ų | 50.7 | 39% | 0.387 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -106.7 | 4.2 | -177.2 | 62.3 | 0 | 0 | 0 | 0 | 114.8 | T1047 R1053 | T1047-T1051 HydrophobicContact CG2-CG2 4.06Å; T1047-T1051 VanDerWaalsContact O-CB 3.29Å; T1047-T1051 WeakPolarHBondContact O-CB 3.4Å; T1047-T1051 VanDerWaalsContact O-CG2 3.27Å; T1047-T1051 WeakPolarHBondContact O-CG2 3.45Å; T1047-T1051 PolarHBondContact O-N 2.96Å; T1047-T1051 PolarHBondContact O-OG1 3.2Å; T1051-R1053 PolarHBondContact O-N 2.85Å |
| 1052 | T | 68.8 | Low | 71.7 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 8% | 0.08 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -55.4 | 134.5 | 164.5 | 35.2 | 0 | 0 | 0 | 0 | 110.5 | F955 R959 D1048 V1049 T1054 Q1099 | F955-T1052 HydrophobicContact CE1-CG2 4.12Å; F955-T1052 HydrophobicContact CZ-CG2 3.7Å; R959-T1052 HydrophobicContact CG-CG2 4.42Å; D1048-T1052 PolarHBondContact O-N 3.09Å; V1049-T1052 PolarHBondContact O-OG1 3.48Å; T1052-T1054 PolarHBondContact O-N 2.97Å; T1052-T1054 VanDerWaalsContact O-N 3.14Å; T1052-Q1099 PolarHBondContact O-NE2 3.44Å; T1052-Q1099 VanDerWaalsContact O-NE2 3.08Å; T1052-Q1099 PolarHBondContact OG1-NE2 3.15Å |
| 1053 | R | 57.6 | Low | 71 | Confident | 246 Ų | 246 | 54.4 Ų | 54.4 | 93% | 0.928 | 26% | 0.261 | S | S | * | . | trans | -57 | 117.5 | -176 | -80.7 | -176.9 | 168.8 | -174.5 | -6 | 110.8 | T1051 | T1051-R1053 PolarHBondContact O-N 2.85Š| ||
| 1054 | T | 58.2 | Low | 70.3 | Confident | 49 Ų | 49 | 58.6 Ų | 58.6 | 30% | 0.301 | 28% | 0.281 | S | S | . | . | trans | -104.7 | 135.8 | 163.1 | 42.6 | 0 | 0 | 0 | 0 | 109.3 | T1052 D1058 Q1099 | T1052-T1054 PolarHBondContact O-N 2.97Å; T1052-T1054 VanDerWaalsContact O-N 3.14Å; T1054-D1058 HydrophobicContact CG2-CB 3.93Å; T1054-Q1099 VanDerWaalsContact CG2-OE1 3.31Å | ||
| 1055 | S | 62.9 | Low | 69.6 | Low | 55 Ų | 55 | 56.5 Ų | 56.5 | 39% | 0.385 | 27% | 0.271 | S | S | . | . | trans | -72.3 | 170 | 163.3 | 68.9 | 0 | 0 | 0 | 0 | 110.8 | Q1057 D1058 V1059 | S1055-Q1057 PolarHBondContact O-N 3.27Å; S1055-Q1057 PolarHBondContact OG-N 2.86Å; S1055-D1058 VanDerWaalsContact CB-OD2 3.29Å; S1055-D1058 WeakPolarHBondContact CB-OD2 3.38Å; S1055-D1058 PolarHBondContact N-OD2 2.9Å; S1055-D1058 WeakPolarHBondContact O-CB 3.46Å; S1055-D1058 PolarHBondContact O-N 3.01Å; S1055-D1058 PolarHBondContact OG-N 2.68Å; S1055-D1058 VanDerWaalsContact OG-N 3.14Å; S1055-D1058 PolarHBondContact OG-OD2 3.42Å; S1055-V1059 PolarHBondContact O-N 3.47Å; S1055-V1059 VanDerWaalsContact O-N 3.13Å | ||
| 1056 | E | 61.5 | Low | 69 | Low | 153 Ų | 153 | 57 Ų | 57 | 72% | 0.715 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -64.7 | -29.3 | 173.6 | -63.9 | -139.6 | 134.6 | 0 | 0 | 112.8 | V1059 Q1060 | E1056-V1059 PolarHBondContact O-N 3.31Å; E1056-Q1060 WeakPolarHBondContact O-CG 3.32Å; E1056-Q1060 PolarHBondContact O-N 3.19Å; E1056-Q1060 VanDerWaalsContact O-N 3.14Å |
| 1057 | Q | 63.8 | Low | 68.2 | Low | 148 Ų | 148 | 61.1 Ų | 61.1 | 69% | 0.692 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.6 | -45.1 | 173.9 | -63 | -179.9 | -1.6 | 0 | 0 | 110.5 | S1055 V1059 Q1060 I1061 | S1055-Q1057 PolarHBondContact O-N 3.27Å; S1055-Q1057 PolarHBondContact OG-N 2.86Å; Q1057-V1059 VanDerWaalsContact C-N 3.26Å; Q1057-V1059 PolarHBondContact O-N 3.47Å; Q1057-Q1060 WeakPolarHBondContact O-CB 3.33Å; Q1057-Q1060 PolarHBondContact O-N 3.48Å; Q1057-I1061 WeakPolarHBondContact O-CG1 3.18Å; Q1057-I1061 PolarHBondContact O-N 3.4Å |
| 1058 | D | 63.8 | Low | 67.5 | Low | 21 Ų | 21 | 63.1 Ų | 63.1 | 11% | 0.112 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.5 | -38.9 | 175.3 | -61.2 | -50.3 | 0 | 0 | 0 | 111.4 | T1054 S1055 Q1060 I1061 L1062 H1093 I1096 | T1054-D1058 HydrophobicContact CG2-CB 3.93Å; S1055-D1058 VanDerWaalsContact CB-OD2 3.29Å; S1055-D1058 WeakPolarHBondContact CB-OD2 3.38Å; S1055-D1058 PolarHBondContact N-OD2 2.9Å; S1055-D1058 WeakPolarHBondContact O-CB 3.46Å; S1055-D1058 PolarHBondContact O-N 3.01Å; S1055-D1058 PolarHBondContact OG-N 2.68Å; S1055-D1058 VanDerWaalsContact OG-N 3.14Å; S1055-D1058 PolarHBondContact OG-OD2 3.42Å; D1058-Q1060 VanDerWaalsContact C-N 3.35Å; D1058-Q1060 PolarHBondContact O-N 2.94Å; D1058-I1061 PolarHBondContact O-N 3.35Å; D1058-L1062 WeakPolarHBondContact O-CB 3.48Å; D1058-L1062 PolarHBondContact O-N 3.48Å; D1058-H1093 IonicContact OD1-CE1 2.66Å; D1058-H1093 PolarHBondContact OD1-CE1 2.79Å; D1058-H1093 VanDerWaalsContact OD1-CE1 3.29Å; D1058-H1093 IonicContact OD1-ND1 2.58Å; D1058-H1093 PolarHBondContact OD1-ND1 3.28Å; D1058-I1096 HydrophobicContact CB-CD1 3.51Å; D1058-I1096 HydrophobicContact CB-CG1 4.02Å; D1058-I1096 VanDerWaalsContact OD1-CD1 3.32Å; D1058-I1096 WeakPolarHBondContact OD1-CD1 3.32Å |
| 1059 | V | 65.8 | Low | 66.8 | Low | 27 Ų | 27 | 62.5 Ų | 62.5 | 16% | 0.164 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.9 | -33 | 176 | 176 | 0 | 0 | 0 | 0 | 112.3 | S1055 E1056 Q1057 L1062 R1063 L1184 | S1055-V1059 PolarHBondContact O-N 3.47Å; S1055-V1059 VanDerWaalsContact O-N 3.13Å; E1056-V1059 PolarHBondContact O-N 3.31Å; Q1057-V1059 VanDerWaalsContact C-N 3.26Å; Q1057-V1059 PolarHBondContact O-N 3.47Å; V1059-L1062 PolarHBondContact O-N 2.69Å; V1059-R1063 WeakPolarHBondContact O-CG 3.37Å; V1059-R1063 PolarHBondContact O-N 2.95Å; V1059-L1184 HydrophobicContact CG1-CD2 4.39Å |
| 1060 | Q | 68 | Low | 66 | Low | 125 Ų | 125 | 65.7 Ų | 65.7 | 58% | 0.584 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -69.5 | -40 | 173.4 | -67 | -176.7 | 34.5 | 0 | 0 | 111.8 | E1056 Q1057 D1058 R1063 M1064 | E1056-Q1060 WeakPolarHBondContact O-CG 3.32Å; E1056-Q1060 PolarHBondContact O-N 3.19Å; E1056-Q1060 VanDerWaalsContact O-N 3.14Å; Q1057-Q1060 WeakPolarHBondContact O-CB 3.33Å; Q1057-Q1060 PolarHBondContact O-N 3.48Å; D1058-Q1060 VanDerWaalsContact C-N 3.35Å; D1058-Q1060 PolarHBondContact O-N 2.94Å; Q1060-R1063 WeakPolarHBondContact O-CB 3.34Å; Q1060-R1063 PolarHBondContact O-N 3.02Å; Q1060-M1064 PolarHBondContact O-N 2.7Å |
| 1061 | I | 66 | Low | 65.3 | Low | 32 Ų | 32 | 71.6 Ų | 71.6 | 16% | 0.164 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63 | -43.8 | 172.9 | -65.2 | 164.7 | 0 | 0 | 0 | 110.3 | Q1057 D1058 R1063 M1064 I1065 H1093 I1096 | Q1057-I1061 WeakPolarHBondContact O-CG1 3.18Å; Q1057-I1061 PolarHBondContact O-N 3.4Å; D1058-I1061 PolarHBondContact O-N 3.35Å; I1061-R1063 PolarHBondContact O-N 2.95Å; I1061-M1064 WeakPolarHBondContact O-CB 3.49Å; I1061-M1064 PolarHBondContact O-N 3.42Å; I1061-M1064 VanDerWaalsContact O-N 3.13Å; I1061-I1065 HydrophobicContact CG2-CD1 3.72Å; I1061-I1065 HydrophobicContact CG2-CG1 4.38Å; I1061-I1065 WeakPolarHBondContact O-CG1 3.48Å; I1061-I1065 PolarHBondContact O-N 2.82Å; I1061-H1093 WeakPolarHBondContact CD1-NE2 3.49Å; I1061-I1096 HydrophobicContact CB-CD1 4.2Å; I1061-I1096 HydrophobicContact CG2-CD1 4.08Å |
| 1062 | L | 67.1 | Low | 64.3 | Low | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 174.7 | -152 | 176 | 0 | 0 | 0 | 110.9 | D1058 V1059 M1064 I1065 L1066 I1096 Q1099 L1103 L1184 | D1058-L1062 WeakPolarHBondContact O-CB 3.48Å; D1058-L1062 PolarHBondContact O-N 3.48Å; V1059-L1062 PolarHBondContact O-N 2.69Å; L1062-M1064 VanDerWaalsContact C-N 3.35Å; L1062-M1064 PolarHBondContact O-N 2.91Å; L1062-I1065 PolarHBondContact O-N 2.91Å; L1062-L1066 HydrophobicContact CD2-CB 4.42Å; L1062-L1066 HydrophobicContact CD2-CD1 3.88Å; L1062-L1066 VanDerWaalsContact O-CB 3.23Å; L1062-L1066 WeakPolarHBondContact O-CB 3.32Å; L1062-L1066 PolarHBondContact O-N 3.39Å; L1062-I1096 HydrophobicContact CB-CG2 3.7Å; L1062-I1096 HydrophobicContact CD1-CG2 4.2Å; L1062-I1096 HydrophobicContact CG-CG2 3.71Å; L1062-Q1099 HydrophobicContact CD1-CB 4.32Å; L1062-L1103 HydrophobicContact CD1-CD1 4.27Å; L1062-L1103 HydrophobicContact CD2-CD1 4.01Å; L1062-L1184 HydrophobicContact CD2-CD1 3.88Å; L1062-L1184 HydrophobicContact CD2-CD2 4.01Å |
| 1063 | R | 69.3 | Low | 63.5 | Low | 100 Ų | 100 | 73 Ų | 73 | 38% | 0.377 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.9 | -45 | 172.8 | -77.2 | -178.5 | 179.9 | 158.5 | -2.6 | 112.1 | V1059 Q1060 I1061 K1067 K1183 L1184 | V1059-R1063 WeakPolarHBondContact O-CG 3.37Å; V1059-R1063 PolarHBondContact O-N 2.95Å; Q1060-R1063 WeakPolarHBondContact O-CB 3.34Å; Q1060-R1063 PolarHBondContact O-N 3.02Å; I1061-R1063 PolarHBondContact O-N 2.95Å; R1063-K1067 VanDerWaalsContact O-CB 3.24Å; R1063-K1067 WeakPolarHBondContact O-CB 3.47Å; R1063-K1067 WeakPolarHBondContact O-CG 2.9Å; R1063-K1067 PolarHBondContact O-N 2.84Å; R1063-K1183 VanDerWaalsContact CZ-O 3.26Å; R1063-K1183 PolarHBondContact NE-O 2.99Å; R1063-K1183 PolarHBondContact NH2-O 2.84Å; R1063-L1184 HydrophobicContact CB-CD2 4.45Å; R1063-L1184 HydrophobicContact CG-CD2 3.51Å |
| 1064 | M | 69.9 | Low | 63 | Low | 88 Ų | 88 | 66.4 Ų | 66.4 | 43% | 0.433 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.9 | -51.6 | -179.1 | -176.4 | 176.2 | 68.4 | 0 | 0 | 111.4 | Q1060 I1061 L1062 L1066 K1067 Q1068 | Q1060-M1064 PolarHBondContact O-N 2.7Å; I1061-M1064 WeakPolarHBondContact O-CB 3.49Å; I1061-M1064 PolarHBondContact O-N 3.42Å; I1061-M1064 VanDerWaalsContact O-N 3.13Å; L1062-M1064 VanDerWaalsContact C-N 3.35Å; L1062-M1064 PolarHBondContact O-N 2.91Å; M1064-L1066 PolarHBondContact O-N 3.5Å; M1064-K1067 WeakPolarHBondContact O-CB 3.44Å; M1064-K1067 PolarHBondContact O-N 2.66Å; M1064-Q1068 WeakPolarHBondContact O-CB 3.37Å; M1064-Q1068 VanDerWaalsContact O-CG 3.27Å; M1064-Q1068 WeakPolarHBondContact O-CG 3.45Å; M1064-Q1068 PolarHBondContact O-N 3.03Å |
| 1065 | I | 67 | Low | 62.3 | Low | 8 Ų | 8 | 66.5 Ų | 66.5 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 179.6 | -65.5 | 169.2 | 0 | 0 | 0 | 110.5 | I1061 L1062 K1067 Q1068 L1069 F1084 C1100 | I1061-I1065 HydrophobicContact CG2-CD1 3.72Å; I1061-I1065 HydrophobicContact CG2-CG1 4.38Å; I1061-I1065 WeakPolarHBondContact O-CG1 3.48Å; I1061-I1065 PolarHBondContact O-N 2.82Å; L1062-I1065 PolarHBondContact O-N 2.91Å; I1065-K1067 PolarHBondContact O-N 3.06Å; I1065-Q1068 PolarHBondContact O-N 3.01Å; I1065-L1069 HydrophobicContact CG2-CD1 4.01Å; I1065-L1069 HydrophobicContact CG2-CG 4.46Å; I1065-L1069 WeakPolarHBondContact O-CB 3.47Å; I1065-L1069 WeakPolarHBondContact O-CG 3.45Å; I1065-L1069 PolarHBondContact O-N 2.94Å; I1065-F1084 HydrophobicContact CG2-CZ 4.35Å; I1065-C1100 HydrophobicContact CG2-CB 4.27Å |
| 1066 | L | 67.9 | Low | 61.5 | Low | 13 Ų | 13 | 68.6 Ų | 68.6 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.7 | -32.8 | -177.6 | -151.5 | 158.7 | 0 | 0 | 0 | 111.8 | L1062 M1064 K1070 L1103 L1184 | L1062-L1066 HydrophobicContact CD2-CB 4.42Å; L1062-L1066 HydrophobicContact CD2-CD1 3.88Å; L1062-L1066 VanDerWaalsContact O-CB 3.23Å; L1062-L1066 WeakPolarHBondContact O-CB 3.32Å; L1062-L1066 PolarHBondContact O-N 3.39Å; M1064-L1066 PolarHBondContact O-N 3.5Å; L1066-K1070 HydrophobicContact CD2-CD 3.97Å; L1066-K1070 HydrophobicContact CD2-CG 4.33Å; L1066-K1070 WeakPolarHBondContact O-CG 3.46Å; L1066-K1070 PolarHBondContact O-N 2.71Å; L1066-K1070 VanDerWaalsContact O-N 3.07Å; L1066-L1103 HydrophobicContact CD1-CB 4.09Å; L1066-L1184 HydrophobicContact CD1-CD1 4.27Å |
| 1067 | K | 69.2 | Low | 60.5 | Low | 87 Ų | 87 | 64.3 Ų | 64.3 | 38% | 0.378 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62 | -49.2 | 167.3 | -87.6 | -176.7 | 153.3 | -167.4 | 0 | 112.2 | R1063 M1064 I1065 L1069 K1070 Q1071 E1187 | R1063-K1067 VanDerWaalsContact O-CB 3.24Å; R1063-K1067 WeakPolarHBondContact O-CB 3.47Å; R1063-K1067 WeakPolarHBondContact O-CG 2.9Å; R1063-K1067 PolarHBondContact O-N 2.84Å; M1064-K1067 WeakPolarHBondContact O-CB 3.44Å; M1064-K1067 PolarHBondContact O-N 2.66Å; I1065-K1067 PolarHBondContact O-N 3.06Å; K1067-L1069 PolarHBondContact O-N 3.48Å; K1067-K1070 PolarHBondContact O-N 3.28Å; K1067-K1070 VanDerWaalsContact O-N 3.15Å; K1067-Q1071 WeakPolarHBondContact O-CG 3.45Å; K1067-Q1071 PolarHBondContact O-N 3.39Å; K1067-E1187 VanDerWaalsContact CE-CD 3.48Å; K1067-E1187 WeakPolarHBondContact CE-OE1 3.42Å; K1067-E1187 VanDerWaalsContact CE-OE2 3.23Å; K1067-E1187 WeakPolarHBondContact CE-OE2 3.49Å; K1067-E1187 IonicContact NZ-OE1 3.81Å; K1067-E1187 PolarHBondContact NZ-OE1 3.37Å; K1067-E1187 IonicContact NZ-OE2 2.91Å; K1067-E1187 PolarHBondContact NZ-OE2 3.48Å |
| 1068 | Q | 65.8 | Low | 59.6 | Low | 63 Ų | 63 | 60.6 Ų | 60.6 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | -179.7 | -74.9 | 172.4 | -16.4 | 0 | 0 | 111.1 | M1064 I1065 K1070 Q1071 E1072 L1080 | M1064-Q1068 WeakPolarHBondContact O-CB 3.37Å; M1064-Q1068 VanDerWaalsContact O-CG 3.27Å; M1064-Q1068 WeakPolarHBondContact O-CG 3.45Å; M1064-Q1068 PolarHBondContact O-N 3.03Å; I1065-Q1068 PolarHBondContact O-N 3.01Å; Q1068-K1070 VanDerWaalsContact C-N 3.32Å; Q1068-K1070 PolarHBondContact O-N 3.37Å; Q1068-Q1071 PolarHBondContact O-N 3.01Å; Q1068-Q1071 VanDerWaalsContact O-N 3.17Å; Q1068-E1072 PolarHBondContact O-N 3.11Å; Q1068-L1080 HydrophobicContact CB-CD1 3.63Å; Q1068-L1080 HydrophobicContact CB-CD2 4.29Å |
| 1069 | L | 62 | Low | 58.9 | Low | 16 Ų | 16 | 62.2 Ų | 62.2 | 8% | 0.084 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.8 | -37.6 | 173.4 | -71.9 | 170.8 | 0 | 0 | 0 | 113.1 | I1065 K1067 S1073 F1081 | I1065-L1069 HydrophobicContact CG2-CD1 4.01Å; I1065-L1069 HydrophobicContact CG2-CG 4.46Å; I1065-L1069 WeakPolarHBondContact O-CB 3.47Å; I1065-L1069 WeakPolarHBondContact O-CG 3.45Å; I1065-L1069 PolarHBondContact O-N 2.94Å; K1067-L1069 PolarHBondContact O-N 3.48Å; L1069-S1073 PolarHBondContact O-N 2.99Å; L1069-F1081 HydrophobicContact CD2-CZ 4.31Å |
| 1070 | K | 64 | Low | 58 | Low | 69 Ų | 69 | 61.6 Ų | 61.6 | 30% | 0.3 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.4 | -34.4 | 174.9 | -78.2 | -175.3 | 173.5 | -177.4 | 0 | 112.5 | L1066 K1067 Q1068 S1073 | L1066-K1070 HydrophobicContact CD2-CD 3.97Å; L1066-K1070 HydrophobicContact CD2-CG 4.33Å; L1066-K1070 WeakPolarHBondContact O-CG 3.46Å; L1066-K1070 PolarHBondContact O-N 2.71Å; L1066-K1070 VanDerWaalsContact O-N 3.07Å; K1067-K1070 PolarHBondContact O-N 3.28Å; K1067-K1070 VanDerWaalsContact O-N 3.15Å; Q1068-K1070 VanDerWaalsContact C-N 3.32Å; Q1068-K1070 PolarHBondContact O-N 3.37Å; K1070-S1073 PolarHBondContact O-OG 3.19Å |
| 1071 | Q | 61.4 | Low | 57.1 | Low | 127 Ų | 127 | 57.4 Ų | 57.4 | 59% | 0.593 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -70.7 | -47.9 | 176.1 | -73.6 | 177.9 | -19.6 | 0 | 0 | 112.1 | K1067 Q1068 S1073 S1074 | K1067-Q1071 WeakPolarHBondContact O-CG 3.45Å; K1067-Q1071 PolarHBondContact O-N 3.39Å; Q1068-Q1071 PolarHBondContact O-N 3.01Å; Q1068-Q1071 VanDerWaalsContact O-N 3.17Å; Q1071-S1073 PolarHBondContact O-N 3.48Å; Q1071-S1073 VanDerWaalsContact O-N 3.16Å; Q1071-S1074 PolarHBondContact O-N 3.37Å; Q1071-S1074 PolarHBondContact O-OG 3.06Å |
| 1072 | E | 50.4 | Low | 56.6 | Low | 31 Ų | 31 | 63.4 Ų | 63.4 | 15% | 0.145 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.3 | -24 | 177.5 | -78 | -164.3 | 167.5 | 0 | 0 | 112.7 | Q1068 S1074 S1075 S1079 L1080 | Q1068-E1072 PolarHBondContact O-N 3.11Å; E1072-S1074 PolarHBondContact O-N 3.37Å; E1072-S1075 PolarHBondContact O-N 2.7Å; E1072-S1075 VanDerWaalsContact O-N 3.12Å; E1072-S1075 VanDerWaalsContact O-O 3.04Å; E1072-S1079 PolarHBondContact OE1-OG 3.29Å; E1072-L1080 VanDerWaalsContact CD-CD1 3.47Å; E1072-L1080 HydrophobicContact CG-CD1 3.98Å; E1072-L1080 WeakPolarHBondContact OE2-CD1 3.02Å |
| 1073 | S | 52.1 | Low | 55.8 | Low | 75 Ų | 75 | 66.3 Ų | 66.3 | 52% | 0.524 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -14.2 | 171.6 | 80.9 | 0 | 0 | 0 | 0 | 114.7 | L1069 K1070 Q1071 | L1069-S1073 PolarHBondContact O-N 2.99Å; K1070-S1073 PolarHBondContact O-OG 3.19Å; Q1071-S1073 PolarHBondContact O-N 3.48Å; Q1071-S1073 VanDerWaalsContact O-N 3.16Å |
| 1074 | S | 48 | Very low | 55 | Low | 106 Ų | 106 | 62.5 Ų | 62.5 | 74% | 0.741 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -5.7 | 178 | 71.1 | 0 | 0 | 0 | 0 | 114.8 | Q1071 E1072 | Q1071-S1074 PolarHBondContact O-N 3.37Å; Q1071-S1074 PolarHBondContact O-OG 3.06Å; E1072-S1074 PolarHBondContact O-N 3.37Å |
| 1075 | S | 43.7 | Very low | 54.1 | Low | 52 Ų | 52 | 61.5 Ų | 61.5 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -135.9 | 127.3 | -173.4 | 61.7 | 0 | 0 | 0 | 0 | 112.4 | E1072 S1077 | E1072-S1075 PolarHBondContact O-N 2.7Å; E1072-S1075 VanDerWaalsContact O-N 3.12Å; E1072-S1075 VanDerWaalsContact O-O 3.04Å; S1075-S1077 PolarHBondContact O-N 3.17Å |
| 1076 | S | 45 | Very low | 53.5 | Low | 98 Ų | 98 | 65.3 Ų | 65.3 | 69% | 0.685 | 36% | 0.364 | S | S | * | . | trans | -75.8 | 43.8 | -168.6 | 65.9 | 0 | 0 | 0 | 0 | 115.5 | S896 | S896-S1076 WeakPolarHBondContact OG-CB 3.49Š| ||
| 1077 | S | 41.5 | Very low | 52.8 | Low | 63 Ų | 63 | 66.2 Ų | 66.2 | 44% | 0.441 | 37% | 0.367 | S | S | . | . | trans | -113.7 | 99.7 | 178.2 | 53.8 | 0 | 0 | 0 | 0 | 110.2 | S1075 S1079 | S1075-S1077 PolarHBondContact O-N 3.17Å; S1077-S1079 PolarHBondContact O-N 3.16Å; S1077-S1079 VanDerWaalsContact O-N 3.17Å | ||
| 1078 | T | 43.3 | Very low | 52 | Low | 71 Ų | 71 | 63.6 Ų | 63.6 | 44% | 0.436 | 36% | 0.357 | S | S | . | . | trans | -77 | 97.5 | 177.8 | 50.8 | 0 | 0 | 0 | 0 | 110.5 | L898 | L898-T1078 HydrophobicContact CD1-CG2 4.22Å; L898-T1078 HydrophobicContact CD2-CG2 4.43Å; L898-T1078 HydrophobicContact CG-CG2 4.38Å | ||
| 1079 | S | 50.4 | Low | 51.4 | Low | 55 Ų | 55 | 64.3 Ų | 64.3 | 39% | 0.385 | 37% | 0.369 | S | S | . | . | trans | -130.5 | -42.9 | -177 | 83 | 0 | 0 | 0 | 0 | 115.7 | E1072 S1077 F1081 H1082 | E1072-S1079 PolarHBondContact OE1-OG 3.29Å; S1077-S1079 PolarHBondContact O-N 3.16Å; S1077-S1079 VanDerWaalsContact O-N 3.17Å; S1079-F1081 PolarHBondContact O-N 3.38Å; S1079-H1082 PolarHBondContact O-N 2.85Å | ||
| 1080 | L | 46.2 | Very low | 51 | Low | 14 Ų | 14 | 69.2 Ų | 69.2 | 7% | 0.073 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -68.6 | -23.8 | -164.1 | -73.8 | 159.9 | 0 | 0 | 0 | 115.8 | Q1068 E1072 H1082 L1083 F1084 | Q1068-L1080 HydrophobicContact CB-CD1 3.63Å; Q1068-L1080 HydrophobicContact CB-CD2 4.29Å; E1072-L1080 VanDerWaalsContact CD-CD1 3.47Å; E1072-L1080 HydrophobicContact CG-CD1 3.98Å; E1072-L1080 WeakPolarHBondContact OE2-CD1 3.02Å; L1080-H1082 VanDerWaalsContact C-N 3.26Å; L1080-H1082 PolarHBondContact O-N 3.1Å; L1080-L1083 HydrophobicContact CD2-CD1 3.94Å; L1080-L1083 WeakPolarHBondContact O-CA 3.32Å; L1080-L1083 WeakPolarHBondContact O-CB 3.32Å; L1080-L1083 PolarHBondContact O-N 3.26Å; L1080-F1084 PolarHBondContact O-N 3.5Å |
| 1081 | F | 50 | Low | 50.3 | Low | 37 Ų | 37 | 70.5 Ų | 70.5 | 16% | 0.162 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -74.3 | -13.8 | 178 | -70.1 | -70.2 | 0 | 0 | 0 | 114.4 | I889 L898 F900 L1069 S1079 L1083 F1084 P1085 | I889-F1081 HydrophobicContact CD1-CB 4Å; I889-F1081 HydrophobicContact CD1-CD1 3.5Å; I889-F1081 VanDerWaalsContact CD1-CD1 3.5Å; I889-F1081 HydrophobicContact CD1-CD2 4.44Å; I889-F1081 HydrophobicContact CD1-CE1 4.09Å; I889-F1081 HydrophobicContact CD1-CG 3.71Å; I889-F1081 HydrophobicContact CG2-CD2 4.25Å; I889-F1081 HydrophobicContact CG2-CG 4.48Å; L898-F1081 HydrophobicContact CB-CE2 4.16Å; L898-F1081 HydrophobicContact CD1-CD2 3.91Å; L898-F1081 HydrophobicContact CD1-CE2 3.97Å; L898-F1081 HydrophobicContact CD2-CD2 4.22Å; L898-F1081 HydrophobicContact CG-CD2 4.47Å; L898-F1081 HydrophobicContact CG-CE2 4.46Å; F900-F1081 AromaticContact CE1-CE1 3.78Å; F900-F1081 HydrophobicContact CE1-CE1 3.78Å; F900-F1081 AromaticContact CE1-CZ 3.63Å; F900-F1081 HydrophobicContact CE1-CZ 3.63Å; F900-F1081 HydrophobicContact CZ-CE1 4.06Å; F900-F1081 AromaticContact CZ-CZ 3.57Å; F900-F1081 HydrophobicContact CZ-CZ 3.57Å; L1069-F1081 HydrophobicContact CD2-CZ 4.31Å; S1079-F1081 PolarHBondContact O-N 3.38Å; F1081-L1083 VanDerWaalsContact C-N 3.31Å; F1081-F1084 AromaticContact CD1-CD2 3.64Å; F1081-F1084 HydrophobicContact CD1-CD2 3.64Å; F1081-F1084 AromaticContact CD1-CE2 3.96Å; F1081-F1084 HydrophobicContact CD1-CE2 3.96Å; F1081-F1084 HydrophobicContact CD1-CG 4.46Å; F1081-F1084 AromaticContact CE1-CD2 3.91Å; F1081-F1084 HydrophobicContact CE1-CD2 3.91Å; F1081-F1084 AromaticContact CE1-CE2 3.74Å; F1081-F1084 HydrophobicContact CE1-CE2 3.74Å; F1081-P1085 WeakPolarHBondContact O-CD 3.4Å |
| 1082 | H | 54.8 | Low | 50.1 | Low | 157 Ų | 157 | 68.6 Ų | 68.6 | 73% | 0.727 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -78.9 | -16.9 | 163.4 | -67.1 | -63.2 | 0 | 0 | 0 | 112.8 | S1079 L1080 | S1079-H1082 PolarHBondContact O-N 2.85Å; L1080-H1082 VanDerWaalsContact C-N 3.26Å; L1080-H1082 PolarHBondContact O-N 3.1Å |
| 1083 | L | 49 | Very low | 50.6 | Low | 63 Ų | 63 | 69.2 Ų | 69.2 | 33% | 0.33 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -86.8 | -24.2 | 175.6 | -77.3 | 160.7 | 0 | 0 | 0 | 113.1 | L1080 F1081 K1086 F1087 | L1080-L1083 HydrophobicContact CD2-CD1 3.94Å; L1080-L1083 WeakPolarHBondContact O-CA 3.32Å; L1080-L1083 WeakPolarHBondContact O-CB 3.32Å; L1080-L1083 PolarHBondContact O-N 3.26Å; F1081-L1083 VanDerWaalsContact C-N 3.31Å; L1083-K1086 HydrophobicContact CD2-CB 4.27Å; L1083-K1086 HydrophobicContact CD2-CD 3.91Å; L1083-K1086 CarbonylContact O-C 3.5Å; L1083-K1086 WeakPolarHBondContact O-CA 3.34Å; L1083-K1086 WeakPolarHBondContact O-CB 3.42Å; L1083-K1086 PolarHBondContact O-N 3.24Å; L1083-F1087 HydrophobicContact CB-CD2 4.13Å; L1083-F1087 HydrophobicContact CB-CE2 3.89Å; L1083-F1087 WeakPolarHBondContact O-CD2 3.31Å; L1083-F1087 PolarHBondContact O-N 3.38Å |
| 1084 | F | 54.5 | Low | 51.2 | Low | 19 Ų | 19 | 66.9 Ų | 66.9 | 8% | 0.083 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.2 | -50.7 | 174.4 | -87.2 | -89.1 | 0 | 0 | 0 | 113.2 | I1065 L1080 F1081 K1086 F1087 I1088 T1097 I1101 | I1065-F1084 HydrophobicContact CG2-CZ 4.35Å; L1080-F1084 PolarHBondContact O-N 3.5Å; F1081-F1084 AromaticContact CD1-CD2 3.64Å; F1081-F1084 HydrophobicContact CD1-CD2 3.64Å; F1081-F1084 AromaticContact CD1-CE2 3.96Å; F1081-F1084 HydrophobicContact CD1-CE2 3.96Å; F1081-F1084 HydrophobicContact CD1-CG 4.46Å; F1081-F1084 AromaticContact CE1-CD2 3.91Å; F1081-F1084 HydrophobicContact CE1-CD2 3.91Å; F1081-F1084 AromaticContact CE1-CE2 3.74Å; F1081-F1084 HydrophobicContact CE1-CE2 3.74Å; F1084-K1086 PolarHBondContact O-N 3.49Å; F1084-F1087 PolarHBondContact O-N 3.41Å; F1084-I1088 WeakPolarHBondContact O-CD1 3.36Å; F1084-I1088 VanDerWaalsContact O-CG1 3.26Å; F1084-I1088 WeakPolarHBondContact O-CG1 3.14Å; F1084-I1088 PolarHBondContact O-N 3.21Å; F1084-T1097 HydrophobicContact CD1-CG2 3.72Å; F1084-T1097 HydrophobicContact CE1-CG2 3.71Å; F1084-I1101 HydrophobicContact CD1-CD1 4.23Å; F1084-I1101 HydrophobicContact CE1-CD1 3.55Å; F1084-I1101 HydrophobicContact CE1-CG1 4.21Å; F1084-I1101 HydrophobicContact CZ-CD1 3.82Å; F1084-I1101 HydrophobicContact CZ-CG1 4.15Å |
| 1085 | P | 50.1 | Low | 52.1 | Low | 67 Ų | 67 | 62.5 Ų | 62.5 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58 | -31.2 | 170.9 | -25.5 | 35.2 | 0 | 0 | 0 | 113.1 | F1081 I1088 S1089 | F1081-P1085 WeakPolarHBondContact O-CD 3.4Å; P1085-I1088 PolarHBondContact O-N 3.48Å; P1085-S1089 WeakPolarHBondContact O-CB 3.38Å; P1085-S1089 PolarHBondContact O-N 3.48Å; P1085-S1089 PolarHBondContact O-OG 3.18Å; P1085-S1089 VanDerWaalsContact O-OG 3.13Å |
| 1086 | K | 53.7 | Low | 53.3 | Low | 89 Ų | 89 | 60.1 Ų | 60.1 | 39% | 0.387 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -74.1 | -42.7 | -178.7 | -153 | 171.1 | -166.8 | -74.1 | 0 | 112.6 | L1083 F1084 I1088 S1089 E1090 | L1083-K1086 HydrophobicContact CD2-CB 4.27Å; L1083-K1086 HydrophobicContact CD2-CD 3.91Å; L1083-K1086 CarbonylContact O-C 3.5Å; L1083-K1086 WeakPolarHBondContact O-CA 3.34Å; L1083-K1086 WeakPolarHBondContact O-CB 3.42Å; L1083-K1086 PolarHBondContact O-N 3.24Å; F1084-K1086 PolarHBondContact O-N 3.49Å; K1086-I1088 VanDerWaalsContact C-N 3.29Å; K1086-I1088 PolarHBondContact O-N 2.87Å; K1086-S1089 WeakPolarHBondContact CA-OG 3.36Å; K1086-S1089 PolarHBondContact O-N 3.38Å; K1086-S1089 PolarHBondContact O-OG 2.96Å; K1086-E1090 VanDerWaalsContact CE-OE1 3.25Å; K1086-E1090 WeakPolarHBondContact CE-OE1 3.48Å; K1086-E1090 HydrophobicContact CG-CG 4.25Å; K1086-E1090 WeakPolarHBondContact CG-OE2 3.47Å; K1086-E1090 IonicContact NZ-OE1 3.46Å; K1086-E1090 PolarHBondContact NZ-OE1 2.58Å; K1086-E1090 IonicContact NZ-OE2 3.45Å; K1086-E1090 PolarHBondContact NZ-OE2 3.05Å; K1086-E1090 WeakPolarHBondContact O-CB 3.47Å; K1086-E1090 PolarHBondContact O-N 3.46Å |
| 1087 | F | 52.9 | Low | 54.5 | Low | 31 Ų | 31 | 55.6 Ų | 55.6 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.5 | -35.1 | 170.3 | -73.4 | -60.9 | 0 | 0 | 0 | 111.9 | L1083 F1084 E1091 N1092 | L1083-F1087 HydrophobicContact CB-CD2 4.13Å; L1083-F1087 HydrophobicContact CB-CE2 3.89Å; L1083-F1087 WeakPolarHBondContact O-CD2 3.31Å; L1083-F1087 PolarHBondContact O-N 3.38Å; F1084-F1087 PolarHBondContact O-N 3.41Å; F1087-E1091 VanDerWaalsContact CD1-OE2 3.22Å; F1087-E1091 WeakPolarHBondContact CD1-OE2 3.35Å; F1087-E1091 WeakPolarHBondContact CE1-OE2 3.33Å; F1087-E1091 PolarHBondContact O-N 3.3Å; F1087-N1092 PolarHBondContact O-N 3.21Å |
| 1088 | I | 54.3 | Low | 56 | Low | 33 Ų | 33 | 52.8 Ų | 52.8 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.9 | -36.9 | 172.9 | -68.1 | 165.5 | 0 | 0 | 0 | 111.4 | F1084 P1085 K1086 W1094 | F1084-I1088 WeakPolarHBondContact O-CD1 3.36Å; F1084-I1088 VanDerWaalsContact O-CG1 3.26Å; F1084-I1088 WeakPolarHBondContact O-CG1 3.14Å; F1084-I1088 PolarHBondContact O-N 3.21Å; P1085-I1088 PolarHBondContact O-N 3.48Å; K1086-I1088 VanDerWaalsContact C-N 3.29Å; K1086-I1088 PolarHBondContact O-N 2.87Å; I1088-W1094 HydrophobicContact CG1-CB 4.4Å |
| 1089 | S | 53.1 | Low | 57.6 | Low | 78 Ų | 78 | 49.5 Ų | 49.5 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -91.6 | -25.5 | -175.8 | 67.3 | 0 | 0 | 0 | 0 | 116.1 | P1085 K1086 | P1085-S1089 WeakPolarHBondContact O-CB 3.38Å; P1085-S1089 PolarHBondContact O-N 3.48Å; P1085-S1089 PolarHBondContact O-OG 3.18Å; P1085-S1089 VanDerWaalsContact O-OG 3.13Å; K1086-S1089 WeakPolarHBondContact CA-OG 3.36Å; K1086-S1089 PolarHBondContact O-N 3.38Å; K1086-S1089 PolarHBondContact O-OG 2.96Å |
| 1090 | E | 52.3 | Low | 58.6 | Low | 118 Ų | 118 | 46.9 Ų | 46.9 | 55% | 0.551 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -111.2 | -28.1 | -173 | -65.4 | -179.3 | 172.1 | 0 | 0 | 114.1 | K1086 | K1086-E1090 VanDerWaalsContact CE-OE1 3.25Å; K1086-E1090 WeakPolarHBondContact CE-OE1 3.48Å; K1086-E1090 HydrophobicContact CG-CG 4.25Å; K1086-E1090 WeakPolarHBondContact CG-OE2 3.47Å; K1086-E1090 IonicContact NZ-OE1 3.46Å; K1086-E1090 PolarHBondContact NZ-OE1 2.58Å; K1086-E1090 IonicContact NZ-OE2 3.45Å; K1086-E1090 PolarHBondContact NZ-OE2 3.05Å; K1086-E1090 WeakPolarHBondContact O-CB 3.47Å; K1086-E1090 PolarHBondContact O-N 3.46Å |
| 1091 | E | 50.6 | Low | 59.8 | Low | 96 Ų | 96 | 46.2 Ų | 46.2 | 45% | 0.449 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -127.9 | 3.3 | -168.7 | -56.8 | -170.3 | 155 | 0 | 0 | 115.5 | F1087 H1093 | F1087-E1091 VanDerWaalsContact CD1-OE2 3.22Å; F1087-E1091 WeakPolarHBondContact CD1-OE2 3.35Å; F1087-E1091 WeakPolarHBondContact CE1-OE2 3.33Å; F1087-E1091 PolarHBondContact O-N 3.3Å; E1091-H1093 PolarHBondContact O-CD2 2.98Å; E1091-H1093 PolarHBondContact O-N 3.45Å |
| 1092 | N | 55.6 | Low | 61.1 | Low | 88 Ų | 88 | 44.5 Ų | 44.5 | 47% | 0.471 | 23% | 0.225 | S | C | . | . | trans | 57.7 | 7.4 | 173.8 | -69.3 | -41.1 | 0 | 0 | 0 | 117.4 | Y962 F1087 W1094 | Y962-N1092 WeakPolarHBondContact CE2-O 3.28Å; F1087-N1092 PolarHBondContact O-N 3.21Å; N1092-W1094 PolarHBondContact O-N 3.43Å | ||
| 1093 | H | 62.3 | Low | 62.1 | Low | 44 Ų | 44 | 37 Ų | 37 | 20% | 0.204 | 19% | 0.191 | C | C | . | . | trans | -81.5 | 30.6 | -172.6 | -74.1 | -64.5 | 0 | 0 | 0 | 115.7 | D1058 I1061 E1091 P1095 I1096 T1097 | D1058-H1093 IonicContact OD1-CE1 2.66Å; D1058-H1093 PolarHBondContact OD1-CE1 2.79Å; D1058-H1093 VanDerWaalsContact OD1-CE1 3.29Å; D1058-H1093 IonicContact OD1-ND1 2.58Å; D1058-H1093 PolarHBondContact OD1-ND1 3.28Å; I1061-H1093 WeakPolarHBondContact CD1-NE2 3.49Å; E1091-H1093 PolarHBondContact O-CD2 2.98Å; E1091-H1093 PolarHBondContact O-N 3.45Å; H1093-P1095 VanDerWaalsContact C-CD 3.42Å; H1093-I1096 HydrophobicContact CB-CD1 3.68Å; H1093-I1096 HydrophobicContact CB-CG1 4.14Å; H1093-I1096 VanDerWaalsContact O-CB 3.3Å; H1093-I1096 WeakPolarHBondContact O-CB 3.47Å; H1093-I1096 WeakPolarHBondContact O-CG1 3.44Å; H1093-I1096 PolarHBondContact O-N 3.49Å; H1093-T1097 PolarHBondContact O-N 3.32Å | ||
| 1094 | W | 64.3 | Low | 63.3 | Low | 25 Ų | 25 | 35.3 Ų | 35.3 | 10% | 0.095 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.4 | -21.3 | -170.9 | 57.8 | -99.2 | 0 | 0 | 0 | 117.2 | I958 Y962 I1088 N1092 I1096 T1097 Y1098 | I958-W1094 VanDerWaalsContact C-CH2 3.47Å; I958-W1094 HydrophobicContact CB-CH2 3.92Å; I958-W1094 HydrophobicContact CB-CZ3 4.24Å; I958-W1094 HydrophobicContact CG2-CD2 4.49Å; I958-W1094 HydrophobicContact CG2-CE3 4.22Å; I958-W1094 HydrophobicContact CG2-CH2 3.22Å; I958-W1094 HydrophobicContact CG2-CZ2 3.49Å; I958-W1094 VanDerWaalsContact CG2-CZ2 3.49Å; I958-W1094 HydrophobicContact CG2-CZ3 3.62Å; I958-W1094 VanDerWaalsContact O-CH2 3.31Å; I958-W1094 WeakPolarHBondContact O-CH2 3.39Å; Y962-W1094 VanDerWaalsContact CB-CZ2 3.47Å; Y962-W1094 AromaticContact CD2-CE2 3.75Å; Y962-W1094 HydrophobicContact CD2-CH2 4.48Å; Y962-W1094 AromaticContact CD2-CZ2 3.62Å; Y962-W1094 HydrophobicContact CD2-CZ2 3.62Å; Y962-W1094 AromaticContact CD2-NE1 3.71Å; Y962-W1094 HydrophobicContact CG-CH2 4.3Å; Y962-W1094 AromaticContact CG-CZ2 3.82Å; Y962-W1094 HydrophobicContact CG-CZ2 3.82Å; I1088-W1094 HydrophobicContact CG1-CB 4.4Å; N1092-W1094 PolarHBondContact O-N 3.43Å; W1094-I1096 PolarHBondContact O-N 2.9Å; W1094-T1097 WeakPolarHBondContact CA-OG1 3.34Å; W1094-T1097 PolarHBondContact O-N 2.97Å; W1094-T1097 PolarHBondContact O-OG1 3.15Å; W1094-Y1098 HydrophobicContact CE3-CD2 4.12Å; W1094-Y1098 AromaticContact CE3-CE2 3.55Å; W1094-Y1098 HydrophobicContact CE3-CE2 3.55Å; W1094-Y1098 HydrophobicContact CZ3-CD2 4.5Å; W1094-Y1098 AromaticContact CZ3-CE2 3.94Å; W1094-Y1098 HydrophobicContact CZ3-CE2 3.94Å; W1094-Y1098 WeakPolarHBondContact O-CD2 3.41Å; W1094-Y1098 PolarHBondContact O-N 3.28Å |
| 1095 | P | 66.9 | Low | 64.1 | Low | 14 Ų | 14 | 35 Ų | 35 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.9 | -34.2 | 167.8 | -22.3 | 35 | 0 | 0 | 0 | 111.8 | Y962 H1093 Y1098 Q1099 | Y962-P1095 HydrophobicContact CD1-CG 4.42Å; Y962-P1095 HydrophobicContact CE1-CG 4.32Å; H1093-P1095 VanDerWaalsContact C-CD 3.42Å; P1095-Y1098 PolarHBondContact O-N 3.07Å; P1095-Q1099 PolarHBondContact O-N 3.4Å; P1095-Q1099 VanDerWaalsContact O-N 3.17Å |
| 1096 | I | 69.2 | Low | 65.3 | Low | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.3 | -39.2 | 177.1 | -40.9 | -179.5 | 0 | 0 | 0 | 110.4 | D1058 I1061 L1062 H1093 W1094 Y1098 Q1099 C1100 | D1058-I1096 HydrophobicContact CB-CD1 3.51Å; D1058-I1096 HydrophobicContact CB-CG1 4.02Å; D1058-I1096 VanDerWaalsContact OD1-CD1 3.32Å; D1058-I1096 WeakPolarHBondContact OD1-CD1 3.32Å; I1061-I1096 HydrophobicContact CB-CD1 4.2Å; I1061-I1096 HydrophobicContact CG2-CD1 4.08Å; L1062-I1096 HydrophobicContact CB-CG2 3.7Å; L1062-I1096 HydrophobicContact CD1-CG2 4.2Å; L1062-I1096 HydrophobicContact CG-CG2 3.71Å; H1093-I1096 HydrophobicContact CB-CD1 3.68Å; H1093-I1096 HydrophobicContact CB-CG1 4.14Å; H1093-I1096 VanDerWaalsContact O-CB 3.3Å; H1093-I1096 WeakPolarHBondContact O-CB 3.47Å; H1093-I1096 WeakPolarHBondContact O-CG1 3.44Å; H1093-I1096 PolarHBondContact O-N 3.49Å; W1094-I1096 PolarHBondContact O-N 2.9Å; I1096-Y1098 VanDerWaalsContact C-N 3.32Å; I1096-Y1098 PolarHBondContact O-N 2.99Å; I1096-Q1099 PolarHBondContact O-N 2.99Å; I1096-Q1099 VanDerWaalsContact O-N 3.14Å; I1096-C1100 WeakPolarHBondContact O-CB 3.22Å; I1096-C1100 PolarHBondContact O-N 2.67Å; I1096-C1100 PolarHBondContact O-SG 2.72Å |
| 1097 | T | 69.2 | Low | 66.3 | Low | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65 | -35.7 | -179.8 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | F1084 H1093 W1094 I1101 | F1084-T1097 HydrophobicContact CD1-CG2 3.72Å; F1084-T1097 HydrophobicContact CE1-CG2 3.71Å; H1093-T1097 PolarHBondContact O-N 3.32Å; W1094-T1097 WeakPolarHBondContact CA-OG1 3.34Å; W1094-T1097 PolarHBondContact O-N 2.97Å; W1094-T1097 PolarHBondContact O-OG1 3.15Å; T1097-I1101 PolarHBondContact O-N 2.8Å; T1097-I1101 VanDerWaalsContact O-N 3.17Å |
| 1098 | Y | 74.2 | Confident | 67.2 | Low | 5 Ų | 5 | 30.9 Ų | 30.9 | 2% | 0.02 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.4 | -45.4 | 170 | -61 | -47.7 | 0 | 0 | 0 | 111.9 | F955 S984 I987 H988 W1094 P1095 I1096 T1102 | F955-Y1098 HydrophobicContact CD2-CD2 4.33Å; F955-Y1098 HydrophobicContact CD2-CE2 4.44Å; F955-Y1098 AromaticContact CE2-CD2 3.9Å; F955-Y1098 HydrophobicContact CE2-CD2 3.9Å; F955-Y1098 HydrophobicContact CE2-CE2 4.38Å; S984-Y1098 WeakPolarHBondContact CA-OH 3.35Å; S984-Y1098 WeakPolarHBondContact CB-OH 3.11Å; S984-Y1098 WeakPolarHBondContact OG-CE1 3.4Å; I987-Y1098 HydrophobicContact CB-CD1 4.38Å; I987-Y1098 HydrophobicContact CB-CE1 3.85Å; I987-Y1098 HydrophobicContact CD1-CE1 4.38Å; I987-Y1098 HydrophobicContact CD1-CE2 4.35Å; I987-Y1098 HydrophobicContact CG2-CD1 3.63Å; I987-Y1098 HydrophobicContact CG2-CE1 3.59Å; I987-Y1098 HydrophobicContact CG2-CG 4.24Å; H988-Y1098 AromaticContact CE1-CD1 3.41Å; H988-Y1098 VanDerWaalsContact CE1-CD1 3.41Å; H988-Y1098 WeakPolarHBondContact CE1-CD1 3.46Å; H988-Y1098 AromaticContact CE1-CE1 3.89Å; H988-Y1098 AromaticContact ND1-CD1 3.85Å; H988-Y1098 AromaticContact NE2-CD1 3.74Å; H988-Y1098 AromaticContact NE2-CE1 3.74Å; W1094-Y1098 HydrophobicContact CE3-CD2 4.12Å; W1094-Y1098 AromaticContact CE3-CE2 3.55Å; W1094-Y1098 HydrophobicContact CE3-CE2 3.55Å; W1094-Y1098 HydrophobicContact CZ3-CD2 4.5Å; W1094-Y1098 AromaticContact CZ3-CE2 3.94Å; W1094-Y1098 HydrophobicContact CZ3-CE2 3.94Å; W1094-Y1098 WeakPolarHBondContact O-CD2 3.41Å; W1094-Y1098 PolarHBondContact O-N 3.28Å; P1095-Y1098 PolarHBondContact O-N 3.07Å; I1096-Y1098 VanDerWaalsContact C-N 3.32Å; I1096-Y1098 PolarHBondContact O-N 2.99Å; Y1098-T1102 VanDerWaalsContact O-CB 3.3Å; Y1098-T1102 WeakPolarHBondContact O-CB 3.42Å; Y1098-T1102 PolarHBondContact O-N 3.34Å; Y1098-T1102 PolarHBondContact O-OG1 3.44Å |
| 1099 | Q | 75.1 | Confident | 68.1 | Low | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.1 | -47.3 | 177.3 | -70.9 | -175.1 | 4 | 0 | 0 | 112.5 | V1049 L1050 T1052 T1054 L1062 P1095 I1096 I1101 T1102 L1103 | V1049-Q1099 WeakPolarHBondContact O-CG 3.42Å; V1049-Q1099 PolarHBondContact O-NE2 3.36Å; V1049-Q1099 VanDerWaalsContact O-NE2 3.12Å; L1050-Q1099 PolarHBondContact O-NE2 3.42Å; T1052-Q1099 PolarHBondContact O-NE2 3.44Å; T1052-Q1099 VanDerWaalsContact O-NE2 3.08Å; T1052-Q1099 PolarHBondContact OG1-NE2 3.15Å; T1054-Q1099 VanDerWaalsContact CG2-OE1 3.31Å; L1062-Q1099 HydrophobicContact CD1-CB 4.32Å; P1095-Q1099 PolarHBondContact O-N 3.4Å; P1095-Q1099 VanDerWaalsContact O-N 3.17Å; I1096-Q1099 PolarHBondContact O-N 2.99Å; I1096-Q1099 VanDerWaalsContact O-N 3.14Å; Q1099-I1101 PolarHBondContact O-N 2.96Å; Q1099-T1102 PolarHBondContact O-N 3.27Å; Q1099-L1103 VanDerWaalsContact O-CB 3.29Å; Q1099-L1103 WeakPolarHBondContact O-CB 3.37Å; Q1099-L1103 WeakPolarHBondContact O-CD1 3.44Å; Q1099-L1103 VanDerWaalsContact O-CG 3.26Å; Q1099-L1103 WeakPolarHBondContact O-CG 3.42Å; Q1099-L1103 PolarHBondContact O-N 2.72Å |
| 1100 | C | 71.6 | Confident | 69.1 | Low | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -51.8 | -51.4 | 175.4 | -84.6 | 0 | 0 | 0 | 0 | 112.2 | I1065 I1096 H1104 | I1065-C1100 HydrophobicContact CG2-CB 4.27Å; I1096-C1100 WeakPolarHBondContact O-CB 3.22Å; I1096-C1100 PolarHBondContact O-N 2.67Å; I1096-C1100 PolarHBondContact O-SG 2.72Å; C1100-H1104 WeakPolarHBondContact O-CB 3.5Å; C1100-H1104 PolarHBondContact O-N 3.43Å |
| 1101 | I | 72.5 | Confident | 70.1 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -71 | -41.1 | -177.3 | -75.5 | 165.4 | 0 | 0 | 0 | 110.8 | H988 F1084 T1097 Q1099 L1103 H1104 L1105 | H988-I1101 WeakPolarHBondContact CE1-CD1 3.49Å; F1084-I1101 HydrophobicContact CD1-CD1 4.23Å; F1084-I1101 HydrophobicContact CE1-CD1 3.55Å; F1084-I1101 HydrophobicContact CE1-CG1 4.21Å; F1084-I1101 HydrophobicContact CZ-CD1 3.82Å; F1084-I1101 HydrophobicContact CZ-CG1 4.15Å; T1097-I1101 PolarHBondContact O-N 2.8Å; T1097-I1101 VanDerWaalsContact O-N 3.17Å; Q1099-I1101 PolarHBondContact O-N 2.96Å; I1101-L1103 PolarHBondContact O-N 2.96Å; I1101-H1104 PolarHBondContact O-N 2.99Å; I1101-L1105 HydrophobicContact CG2-CD1 3.68Å; I1101-L1105 HydrophobicContact CG2-CG 4.37Å; I1101-L1105 WeakPolarHBondContact O-CB 3.42Å; I1101-L1105 WeakPolarHBondContact O-CD1 3.31Å; I1101-L1105 VanDerWaalsContact O-CG 3.22Å; I1101-L1105 WeakPolarHBondContact O-CG 3.48Å; I1101-L1105 PolarHBondContact O-N 3.22Å |
| 1102 | T | 77 | Confident | 71.2 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.2 | -47.3 | 174.9 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | L991 I995 L1046 L1050 Y1098 Q1099 L1105 L1106 | L991-T1102 HydrophobicContact CD2-CG2 4.41Å; I995-T1102 HydrophobicContact CD1-CG2 4.21Å; L1046-T1102 HydrophobicContact CD2-CG2 3.74Å; L1050-T1102 HydrophobicContact CD1-CG2 4.28Å; L1050-T1102 HydrophobicContact CD2-CG2 3.88Å; L1050-T1102 HydrophobicContact CG-CG2 4.07Å; Y1098-T1102 VanDerWaalsContact O-CB 3.3Å; Y1098-T1102 WeakPolarHBondContact O-CB 3.42Å; Y1098-T1102 PolarHBondContact O-N 3.34Å; Y1098-T1102 PolarHBondContact O-OG1 3.44Å; Q1099-T1102 PolarHBondContact O-N 3.27Å; T1102-L1105 PolarHBondContact O-N 2.86Å; T1102-L1106 HydrophobicContact CG2-CD1 3.93Å; T1102-L1106 WeakPolarHBondContact O-CB 3.5Å; T1102-L1106 WeakPolarHBondContact O-CG 3.31Å; T1102-L1106 PolarHBondContact O-N 3.49Å |
| 1103 | L | 75.8 | Confident | 72.4 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.1 | -42 | 177.5 | -73 | 164.7 | 0 | 0 | 0 | 112.3 | L1050 L1062 L1066 Q1099 I1101 L1107 L1177 L1180 L1184 | L1050-L1103 HydrophobicContact CD2-CD1 4.46Å; L1050-L1103 HydrophobicContact CD2-CD2 3.99Å; L1050-L1103 HydrophobicContact CD2-CG 3.83Å; L1062-L1103 HydrophobicContact CD1-CD1 4.27Å; L1062-L1103 HydrophobicContact CD2-CD1 4.01Å; L1066-L1103 HydrophobicContact CD1-CB 4.09Å; Q1099-L1103 VanDerWaalsContact O-CB 3.29Å; Q1099-L1103 WeakPolarHBondContact O-CB 3.37Å; Q1099-L1103 WeakPolarHBondContact O-CD1 3.44Å; Q1099-L1103 VanDerWaalsContact O-CG 3.26Å; Q1099-L1103 WeakPolarHBondContact O-CG 3.42Å; Q1099-L1103 PolarHBondContact O-N 2.72Å; I1101-L1103 PolarHBondContact O-N 2.96Å; L1103-L1107 VanDerWaalsContact O-CB 3.26Å; L1103-L1107 WeakPolarHBondContact O-CB 3.4Å; L1103-L1107 VanDerWaalsContact O-CG 3.26Å; L1103-L1107 WeakPolarHBondContact O-CG 3.33Å; L1103-L1107 PolarHBondContact O-N 3.46Å; L1103-L1177 HydrophobicContact CD2-CD2 3.66Å; L1103-L1180 HydrophobicContact CD1-CD1 4.31Å; L1103-L1180 HydrophobicContact CD2-CB 4.25Å; L1103-L1180 HydrophobicContact CD2-CD1 3.97Å; L1103-L1184 HydrophobicContact CD1-CD1 3.9Å |
| 1104 | H | 73.4 | Confident | 73 | Confident | 27 Ų | 27 | 21.9 Ų | 21.9 | 13% | 0.125 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.8 | -40.7 | 177.8 | -177.8 | 101.5 | 0 | 0 | 0 | 111.7 | C1100 I1101 N1108 | C1100-H1104 WeakPolarHBondContact O-CB 3.5Å; C1100-H1104 PolarHBondContact O-N 3.43Å; I1101-H1104 PolarHBondContact O-N 2.99Å; H1104-N1108 PolarHBondContact CD2-ND2 3.21Å; H1104-N1108 PolarHBondContact CE1-ND2 2.9Å; H1104-N1108 PolarHBondContact NE2-ND2 3.17Å; H1104-N1108 VanDerWaalsContact NE2-ND2 3.14Å; H1104-N1108 VanDerWaalsContact O-CB 3.24Å; H1104-N1108 WeakPolarHBondContact O-CB 3.44Å; H1104-N1108 PolarHBondContact O-N 3.04Å; H1104-N1108 PolarHBondContact O-ND2 3.03Å; H1104-N1108 VanDerWaalsContact O-ND2 3.11Å |
| 1105 | L | 71.6 | Confident | 73.5 | Confident | 11 Ų | 11 | 20.7 Ų | 20.7 | 6% | 0.058 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.9 | -49.3 | 177.4 | -69.5 | 164.8 | 0 | 0 | 0 | 111.7 | F900 V992 I995 I1101 T1102 N1108 D1109 | F900-L1105 HydrophobicContact CD2-CD2 3.99Å; F900-L1105 HydrophobicContact CE2-CD2 4.46Å; V992-L1105 HydrophobicContact CB-CD1 4.47Å; V992-L1105 HydrophobicContact CG2-CD1 3.62Å; V992-L1105 HydrophobicContact CG2-CD2 4.38Å; I995-L1105 HydrophobicContact CB-CB 4.38Å; I995-L1105 HydrophobicContact CD1-CB 3.75Å; I995-L1105 HydrophobicContact CD1-CD1 4.07Å; I995-L1105 HydrophobicContact CG2-CB 3.93Å; I1101-L1105 HydrophobicContact CG2-CD1 3.68Å; I1101-L1105 HydrophobicContact CG2-CG 4.37Å; I1101-L1105 WeakPolarHBondContact O-CB 3.42Å; I1101-L1105 WeakPolarHBondContact O-CD1 3.31Å; I1101-L1105 VanDerWaalsContact O-CG 3.22Å; I1101-L1105 WeakPolarHBondContact O-CG 3.48Å; I1101-L1105 PolarHBondContact O-N 3.22Å; T1102-L1105 PolarHBondContact O-N 2.86Å; L1105-N1108 PolarHBondContact O-N 2.67Å; L1105-D1109 PolarHBondContact O-N 3.19Å |
| 1106 | L | 76.5 | Confident | 74.2 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.2 | -48.9 | 179.9 | -75.2 | 169 | 0 | 0 | 0 | 112.3 | I995 M999 L1050 T1102 N1108 S1112 L1113 L1116 L1177 | I995-L1106 HydrophobicContact CD1-CD2 4.37Å; I995-L1106 HydrophobicContact CD1-CG 4Å; I995-L1106 HydrophobicContact CG1-CD2 4.02Å; I995-L1106 HydrophobicContact CG1-CG 4.21Å; I995-L1106 HydrophobicContact CG2-CD2 3.98Å; I995-L1106 HydrophobicContact CG2-CG 4.32Å; M999-L1106 HydrophobicContact SD-CD2 4.27Å; L1050-L1106 HydrophobicContact CD1-CD1 4.3Å; T1102-L1106 HydrophobicContact CG2-CD1 3.93Å; T1102-L1106 WeakPolarHBondContact O-CB 3.5Å; T1102-L1106 WeakPolarHBondContact O-CG 3.31Å; T1102-L1106 PolarHBondContact O-N 3.49Å; L1106-N1108 PolarHBondContact O-N 2.93Å; L1106-S1112 PolarHBondContact O-OG 3.47Å; L1106-L1113 HydrophobicContact CB-CD2 4.34Å; L1106-L1113 VanDerWaalsContact O-CD2 3.26Å; L1106-L1113 WeakPolarHBondContact O-CD2 3.06Å; L1106-L1113 VanDerWaalsContact O-CG 3.28Å; L1106-L1113 WeakPolarHBondContact O-CG 3.46Å; L1106-L1116 HydrophobicContact CD2-CD1 4.44Å; L1106-L1177 HydrophobicContact CD1-CD1 4.12Å; L1106-L1177 HydrophobicContact CD1-CD2 3.89Å |
| 1107 | L | 73.7 | Confident | 74.7 | Confident | 11 Ų | 11 | 19.9 Ų | 19.9 | 6% | 0.058 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -72.8 | -12.5 | -175.2 | -64.2 | 173.3 | 0 | 0 | 0 | 113.7 | L1103 E1181 P1197 | L1103-L1107 VanDerWaalsContact O-CB 3.26Å; L1103-L1107 WeakPolarHBondContact O-CB 3.4Å; L1103-L1107 VanDerWaalsContact O-CG 3.26Å; L1103-L1107 WeakPolarHBondContact O-CG 3.33Å; L1103-L1107 PolarHBondContact O-N 3.46Å; L1107-E1181 HydrophobicContact CD2-CG 4.3Å; L1107-P1197 HydrophobicContact CB-CG 4.43Å; L1107-P1197 HydrophobicContact CD2-CG 4.37Å |
| 1108 | N | 72.1 | Confident | 74.9 | Confident | 89 Ų | 89 | 20 Ų | 20 | 48% | 0.476 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -101.1 | -26.9 | 179.1 | -68.8 | -11.7 | 0 | 0 | 0 | 113.7 | H1104 L1105 L1106 | H1104-N1108 PolarHBondContact CD2-ND2 3.21Å; H1104-N1108 PolarHBondContact CE1-ND2 2.9Å; H1104-N1108 PolarHBondContact NE2-ND2 3.17Å; H1104-N1108 VanDerWaalsContact NE2-ND2 3.14Å; H1104-N1108 VanDerWaalsContact O-CB 3.24Å; H1104-N1108 WeakPolarHBondContact O-CB 3.44Å; H1104-N1108 PolarHBondContact O-N 3.04Å; H1104-N1108 PolarHBondContact O-ND2 3.03Å; H1104-N1108 VanDerWaalsContact O-ND2 3.11Å; L1105-N1108 PolarHBondContact O-N 2.67Å; L1106-N1108 PolarHBondContact O-N 2.93Å |
| 1109 | D | 72.7 | Confident | 75.1 | Confident | 24 Ų | 24 | 19.7 Ų | 19.7 | 13% | 0.128 | 10% | 0.1 | C | C | . | . | trans | -99.8 | 99.5 | 174.2 | -164.9 | -23.2 | 0 | 0 | 0 | 111.9 | L1105 R1111 S1112 L1113 | L1105-D1109 PolarHBondContact O-N 3.19Å; D1109-R1111 PolarHBondContact O-N 2.92Å; D1109-R1111 VanDerWaalsContact O-N 3.09Å; D1109-R1111 VanDerWaalsContact OD1-CB 3.24Å; D1109-R1111 WeakPolarHBondContact OD1-CB 3.4Å; D1109-R1111 WeakPolarHBondContact OD1-CG 3.49Å; D1109-R1111 IonicContact OD1-CZ 3.72Å; D1109-R1111 PolarHBondContact OD1-N 3.04Å; D1109-R1111 IonicContact OD1-NE 2.66Å; D1109-R1111 PolarHBondContact OD1-NE 2.91Å; D1109-R1111 IonicContact OD1-NH2 3.81Å; D1109-R1111 IonicContact OD2-CZ 2.8Å; D1109-R1111 IonicContact OD2-NE 2.71Å; D1109-R1111 PolarHBondContact OD2-NE 2.85Å; D1109-R1111 IonicContact OD2-NH2 2.78Å; D1109-R1111 PolarHBondContact OD2-NH2 3.31Å; D1109-S1112 WeakPolarHBondContact O-CB 3.5Å; D1109-S1112 PolarHBondContact O-N 2.92Å; D1109-S1112 PolarHBondContact O-OG 3.32Å; D1109-L1113 PolarHBondContact O-N 3.33Å | ||
| 1110 | T | 73.7 | Confident | 75.3 | Confident | 80 Ų | 80 | 19.7 Ų | 19.7 | 49% | 0.491 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -57.8 | -23.1 | 178.6 | 56 | 0 | 0 | 0 | 0 | 113.8 | N1114 | T1110-N1114 WeakPolarHBondContact O-CB 3.21Å; T1110-N1114 PolarHBondContact O-N 2.78Å; T1110-N1114 PolarHBondContact O-OD1 3.05Å |
| 1111 | R | 73.3 | Confident | 75.4 | Confident | 103 Ų | 103 | 19.7 Ų | 19.7 | 39% | 0.389 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -71.5 | -36 | 176.4 | -56.7 | 168.6 | -66.3 | 178 | 4.6 | 111.3 | I1000 D1109 N1114 A1115 | I1000-R1111 VanDerWaalsContact CD1-CZ 3.44Å; I1000-R1111 HydrophobicContact CG1-CB 4.39Å; D1109-R1111 PolarHBondContact O-N 2.92Å; D1109-R1111 VanDerWaalsContact O-N 3.09Å; D1109-R1111 VanDerWaalsContact OD1-CB 3.24Å; D1109-R1111 WeakPolarHBondContact OD1-CB 3.4Å; D1109-R1111 WeakPolarHBondContact OD1-CG 3.49Å; D1109-R1111 IonicContact OD1-CZ 3.72Å; D1109-R1111 PolarHBondContact OD1-N 3.04Å; D1109-R1111 IonicContact OD1-NE 2.66Å; D1109-R1111 PolarHBondContact OD1-NE 2.91Å; D1109-R1111 IonicContact OD1-NH2 3.81Å; D1109-R1111 IonicContact OD2-CZ 2.8Å; D1109-R1111 IonicContact OD2-NE 2.71Å; D1109-R1111 PolarHBondContact OD2-NE 2.85Å; D1109-R1111 IonicContact OD2-NH2 2.78Å; D1109-R1111 PolarHBondContact OD2-NH2 3.31Å; R1111-N1114 PolarHBondContact O-N 3.42Å; R1111-A1115 WeakPolarHBondContact O-CB 3.48Å; R1111-A1115 PolarHBondContact O-N 3.49Å |
| 1112 | S | 75.3 | Confident | 75.6 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.5 | -42.1 | 175.8 | 76.5 | 0 | 0 | 0 | 0 | 111.4 | M999 L1106 D1109 A1115 L1116 | M999-S1112 WeakPolarHBondContact CE-O 3.26Å; L1106-S1112 PolarHBondContact O-OG 3.47Å; D1109-S1112 WeakPolarHBondContact O-CB 3.5Å; D1109-S1112 PolarHBondContact O-N 2.92Å; D1109-S1112 PolarHBondContact O-OG 3.32Å; S1112-A1115 PolarHBondContact O-N 3.29Å; S1112-L1116 PolarHBondContact O-N 3.43Å |
| 1113 | L | 79.6 | Confident | 75.3 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 173.9 | -57.3 | -178.7 | 0 | 0 | 0 | 111.3 | L1106 D1109 A1115 L1116 I1117 P1197 L1198 | L1106-L1113 HydrophobicContact CB-CD2 4.34Å; L1106-L1113 VanDerWaalsContact O-CD2 3.26Å; L1106-L1113 WeakPolarHBondContact O-CD2 3.06Å; L1106-L1113 VanDerWaalsContact O-CG 3.28Å; L1106-L1113 WeakPolarHBondContact O-CG 3.46Å; D1109-L1113 PolarHBondContact O-N 3.33Å; L1113-A1115 PolarHBondContact O-N 3.19Å; L1113-L1116 WeakPolarHBondContact O-CB 3.48Å; L1113-L1116 PolarHBondContact O-N 3.29Å; L1113-I1117 VanDerWaalsContact O-CG1 3.28Å; L1113-I1117 WeakPolarHBondContact O-CG1 3.49Å; L1113-I1117 PolarHBondContact O-N 3.44Å; L1113-P1197 HydrophobicContact CD1-CB 4.46Å; L1113-L1198 HydrophobicContact CB-CD1 4.38Å; L1113-L1198 HydrophobicContact CD1-CB 4.29Å; L1113-L1198 HydrophobicContact CD2-CD1 4.32Å |
| 1114 | N | 76.1 | Confident | 75 | Confident | 62 Ų | 62 | 22.5 Ų | 22.5 | 33% | 0.332 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -63.6 | -29.1 | 177.4 | -69.9 | -0.2 | 0 | 0 | 0 | 112.4 | T1110 R1111 I1117 A1118 S1201 | T1110-N1114 WeakPolarHBondContact O-CB 3.21Å; T1110-N1114 PolarHBondContact O-N 2.78Å; T1110-N1114 PolarHBondContact O-OD1 3.05Å; R1111-N1114 PolarHBondContact O-N 3.42Å; N1114-I1117 PolarHBondContact O-N 2.72Å; N1114-A1118 WeakPolarHBondContact O-CB 3.41Å; N1114-A1118 PolarHBondContact O-N 3.24Å; N1114-S1201 PolarHBondContact OD1-OG 2.88Å |
| 1115 | A | 75 | Confident | 74.5 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -75.6 | -34.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | M999 F1002 R1111 S1112 L1113 I1117 A1118 F1119 | M999-A1115 HydrophobicContact CB-CB 4.43Å; M999-A1115 HydrophobicContact CE-CB 3.87Å; M999-A1115 WeakPolarHBondContact O-CB 3.24Å; F1002-A1115 HydrophobicContact CB-CB 4.07Å; R1111-A1115 WeakPolarHBondContact O-CB 3.48Å; R1111-A1115 PolarHBondContact O-N 3.49Å; S1112-A1115 PolarHBondContact O-N 3.29Å; L1113-A1115 PolarHBondContact O-N 3.19Å; A1115-I1117 VanDerWaalsContact C-N 3.3Å; A1115-A1118 PolarHBondContact O-N 3.02Å; A1115-F1119 PolarHBondContact O-N 2.71Å; A1115-F1119 VanDerWaalsContact O-N 3.09Å |
| 1116 | L | 80.5 | Confident | 74.2 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 166.5 | -73.7 | 172.8 | 0 | 0 | 0 | 110.3 | M999 F1043 L1106 S1112 L1113 F1119 S1120 L1173 V1174 L1177 | M999-L1116 HydrophobicContact CE-CB 4.47Å; M999-L1116 HydrophobicContact CE-CD2 3.75Å; M999-L1116 HydrophobicContact CE-CG 3.62Å; M999-L1116 HydrophobicContact SD-CD2 4.45Å; M999-L1116 HydrophobicContact SD-CG 4.37Å; F1043-L1116 HydrophobicContact CD1-CD2 4.08Å; F1043-L1116 HydrophobicContact CE1-CD2 3.78Å; F1043-L1116 HydrophobicContact CZ-CD2 4.23Å; L1106-L1116 HydrophobicContact CD2-CD1 4.44Å; S1112-L1116 PolarHBondContact O-N 3.43Å; L1113-L1116 WeakPolarHBondContact O-CB 3.48Å; L1113-L1116 PolarHBondContact O-N 3.29Å; L1116-F1119 PolarHBondContact O-N 3Å; L1116-S1120 WeakPolarHBondContact O-CB 3.46Å; L1116-S1120 PolarHBondContact O-N 2.66Å; L1116-S1120 PolarHBondContact O-OG 3.36Å; L1116-S1120 VanDerWaalsContact O-OG 3.07Å; L1116-L1173 HydrophobicContact CD2-CB 4.27Å; L1116-L1173 HydrophobicContact CD2-CD1 3.84Å; L1116-V1174 HydrophobicContact CB-CG2 4.08Å; L1116-L1177 HydrophobicContact CD1-CD1 3.61Å |
| 1117 | I | 78.9 | Confident | 73.6 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.3 | -36 | -179.7 | -64.9 | 165.5 | 0 | 0 | 0 | 112 | L1113 N1114 A1115 S1120 S1121 L1198 I1202 Y1205 Y1214 | L1113-I1117 VanDerWaalsContact O-CG1 3.28Å; L1113-I1117 WeakPolarHBondContact O-CG1 3.49Å; L1113-I1117 PolarHBondContact O-N 3.44Å; N1114-I1117 PolarHBondContact O-N 2.72Å; A1115-I1117 VanDerWaalsContact C-N 3.3Å; I1117-S1120 WeakPolarHBondContact CA-OG 3.3Å; I1117-S1120 PolarHBondContact O-N 3.34Å; I1117-S1120 PolarHBondContact O-OG 2.82Å; I1117-S1121 WeakPolarHBondContact O-CB 3.16Å; I1117-S1121 PolarHBondContact O-N 3.05Å; I1117-S1121 PolarHBondContact O-OG 3.33Å; I1117-L1198 HydrophobicContact CD1-CD1 4.14Å; I1117-I1202 HydrophobicContact CD1-CG1 3.89Å; I1117-I1202 HydrophobicContact CG1-CG1 4.31Å; I1117-Y1205 HydrophobicContact CG2-CD1 3.47Å; I1117-Y1205 VanDerWaalsContact CG2-CD1 3.47Å; I1117-Y1205 HydrophobicContact CG2-CD2 3.72Å; I1117-Y1205 HydrophobicContact CG2-CE1 3.9Å; I1117-Y1205 HydrophobicContact CG2-CE2 4.15Å; I1117-Y1205 HydrophobicContact CG2-CG 3.37Å; I1117-Y1214 HydrophobicContact CG2-CD2 3.6Å; I1117-Y1214 HydrophobicContact CG2-CE2 3.8Å; I1117-Y1214 HydrophobicContact CG2-CG 4.27Å |
| 1118 | A | 75 | Confident | 73 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 3% | 0.025 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.5 | -52.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | N1114 A1115 S1120 S1121 I1122 | N1114-A1118 WeakPolarHBondContact O-CB 3.41Å; N1114-A1118 PolarHBondContact O-N 3.24Å; A1115-A1118 PolarHBondContact O-N 3.02Å; A1118-S1120 VanDerWaalsContact C-N 3.3Å; A1118-S1120 PolarHBondContact O-N 2.74Å; A1118-S1121 PolarHBondContact O-N 3.45Å; A1118-S1121 PolarHBondContact O-OG 3.47Å; A1118-I1122 PolarHBondContact O-N 2.98Å |
| 1119 | F | 77.1 | Confident | 72.2 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.3 | -36.3 | 176.1 | -104.6 | -70.3 | 0 | 0 | 0 | 113 | F1002 V1005 L1035 A1039 F1043 A1115 L1116 S1121 I1122 A1166 V1167 | F1002-F1119 HydrophobicContact CB-CD2 3.87Å; F1002-F1119 HydrophobicContact CB-CE2 3.7Å; F1002-F1119 AromaticContact CD1-CE2 3.81Å; F1002-F1119 HydrophobicContact CD1-CE2 3.81Å; F1002-F1119 HydrophobicContact CD2-CE2 4.4Å; F1002-F1119 HydrophobicContact CG-CD2 4.21Å; F1002-F1119 AromaticContact CG-CE2 3.72Å; F1002-F1119 HydrophobicContact CG-CE2 3.72Å; V1005-F1119 HydrophobicContact CG2-CD1 4.33Å; V1005-F1119 HydrophobicContact CG2-CD2 3.71Å; V1005-F1119 HydrophobicContact CG2-CE1 4.04Å; V1005-F1119 HydrophobicContact CG2-CE2 3.37Å; V1005-F1119 HydrophobicContact CG2-CG 4.18Å; V1005-F1119 HydrophobicContact CG2-CZ 3.55Å; L1035-F1119 HydrophobicContact CG-CZ 4.49Å; A1039-F1119 HydrophobicContact CB-CD2 4.25Å; A1039-F1119 HydrophobicContact CB-CE1 3.9Å; A1039-F1119 HydrophobicContact CB-CE2 3.56Å; A1039-F1119 HydrophobicContact CB-CZ 3.36Å; F1043-F1119 HydrophobicContact CE2-CB 3.92Å; F1043-F1119 HydrophobicContact CE2-CD1 4.35Å; F1043-F1119 AromaticContact CE2-CD2 3.99Å; F1043-F1119 HydrophobicContact CE2-CD2 3.99Å; F1043-F1119 AromaticContact CE2-CG 3.83Å; F1043-F1119 HydrophobicContact CE2-CG 3.83Å; F1043-F1119 HydrophobicContact CZ-CB 4.11Å; F1043-F1119 AromaticContact CZ-CD2 3.76Å; F1043-F1119 HydrophobicContact CZ-CD2 3.76Å; F1043-F1119 HydrophobicContact CZ-CE2 4.43Å; F1043-F1119 HydrophobicContact CZ-CG 4.03Å; A1115-F1119 PolarHBondContact O-N 2.71Å; A1115-F1119 VanDerWaalsContact O-N 3.09Å; L1116-F1119 PolarHBondContact O-N 3Å; F1119-S1121 VanDerWaalsContact C-N 3.27Å; F1119-S1121 PolarHBondContact O-N 3.46Å; F1119-I1122 HydrophobicContact CD1-CD1 3.79Å; F1119-I1122 HydrophobicContact CE1-CD1 4.2Å; F1119-A1166 HydrophobicContact CD1-CB 4.13Å; F1119-A1166 HydrophobicContact CE1-CB 4.11Å; F1119-V1167 WeakPolarHBondContact O-CG2 3.33Å |
| 1120 | S | 79.1 | Confident | 71.2 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -1.6 | 176.1 | 68.3 | 0 | 0 | 0 | 0 | 113.9 | L1116 I1117 A1118 S1170 Y1214 Y1221 | L1116-S1120 WeakPolarHBondContact O-CB 3.46Å; L1116-S1120 PolarHBondContact O-N 2.66Å; L1116-S1120 PolarHBondContact O-OG 3.36Å; L1116-S1120 VanDerWaalsContact O-OG 3.07Å; I1117-S1120 WeakPolarHBondContact CA-OG 3.3Å; I1117-S1120 PolarHBondContact O-N 3.34Å; I1117-S1120 PolarHBondContact O-OG 2.82Å; A1118-S1120 VanDerWaalsContact C-N 3.3Å; A1118-S1120 PolarHBondContact O-N 2.74Å; S1120-S1170 PolarHBondContact N-OG 2.81Å; S1120-Y1214 VanDerWaalsContact OG-CE2 3.26Å; S1120-Y1214 WeakPolarHBondContact OG-CE2 3.31Å; S1120-Y1214 PolarHBondContact OG-OH 3.38Å; S1120-Y1221 VanDerWaalsContact C-OH 3.28Å; S1120-Y1221 WeakPolarHBondContact O-CE2 3.33Å; S1120-Y1221 PolarHBondContact O-OH 3.36Å |
| 1121 | S | 75.1 | Confident | 70 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 16.5 | 179.2 | 71.9 | 0 | 0 | 0 | 0 | 115.2 | I1117 A1118 F1119 H1123 Y1205 N1207 T1217 Y1221 | I1117-S1121 WeakPolarHBondContact O-CB 3.16Å; I1117-S1121 PolarHBondContact O-N 3.05Å; I1117-S1121 PolarHBondContact O-OG 3.33Å; A1118-S1121 PolarHBondContact O-N 3.45Å; A1118-S1121 PolarHBondContact O-OG 3.47Å; F1119-S1121 VanDerWaalsContact C-N 3.27Å; F1119-S1121 PolarHBondContact O-N 3.46Å; S1121-H1123 PolarHBondContact O-N 3.18Å; S1121-H1123 VanDerWaalsContact O-N 3.09Å; S1121-Y1205 VanDerWaalsContact OG-CE1 3.29Å; S1121-Y1205 WeakPolarHBondContact OG-CE1 3.43Å; S1121-Y1205 PolarHBondContact OG-OH 3.17Å; S1121-N1207 PolarHBondContact O-ND2 2.86Å; S1121-T1217 WeakPolarHBondContact O-CG2 3.49Å; S1121-Y1221 WeakPolarHBondContact CA-OH 3.31Å |
| 1122 | I | 75.5 | Confident | 68.4 | Low | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.015 | 10% | 0.102 | C | C | . | . | trans | -54.2 | 115.2 | 173.8 | -65.8 | 173.3 | 0 | 0 | 0 | 110.4 | V1005 F1032 A1118 F1119 Q1124 I1126 L1127 T1163 V1167 Y1221 | V1005-I1122 HydrophobicContact CG1-CD1 3.97Å; V1005-I1122 HydrophobicContact CG1-CG1 3.8Å; F1032-I1122 HydrophobicContact CZ-CD1 4.36Å; A1118-I1122 PolarHBondContact O-N 2.98Å; F1119-I1122 HydrophobicContact CD1-CD1 3.79Å; F1119-I1122 HydrophobicContact CE1-CD1 4.2Å; I1122-Q1124 PolarHBondContact O-N 2.92Å; I1122-I1126 HydrophobicContact CG2-CB 3.97Å; I1122-I1126 HydrophobicContact CG2-CD1 4.34Å; I1122-I1126 HydrophobicContact CG2-CG2 4.07Å; I1122-L1127 HydrophobicContact CG2-CD2 4.17Å; I1122-L1127 HydrophobicContact CG2-CG 4.23Å; I1122-T1163 HydrophobicContact CD1-CG2 3.95Å; I1122-V1167 HydrophobicContact CB-CG2 4.3Å; I1122-V1167 HydrophobicContact CD1-CG2 3.95Å; I1122-V1167 HydrophobicContact CG1-CG2 4.5Å; I1122-Y1221 PolarHBondContact N-OH 3.04Å; I1122-Y1221 WeakPolarHBondContact O-CE1 3.42Å; I1122-Y1221 PolarHBondContact O-OH 3.34Å | ||
| 1123 | H | 71 | Confident | 66.8 | Low | 37 Ų | 37 | 22.4 Ų | 22.4 | 17% | 0.171 | 11% | 0.114 | C | C | . | . | trans | -54.8 | 138 | -172.8 | -179.6 | -98.9 | 0 | 0 | 0 | 113 | S1121 S1125 I1126 F1209 | S1121-H1123 PolarHBondContact O-N 3.18Å; S1121-H1123 VanDerWaalsContact O-N 3.09Å; H1123-S1125 PolarHBondContact CE1-OG 3.47Å; H1123-S1125 PolarHBondContact ND1-N 2.81Å; H1123-S1125 PolarHBondContact ND1-OG 3.45Å; H1123-S1125 PolarHBondContact O-N 2.98Å; H1123-I1126 WeakPolarHBondContact O-CB 3.49Å; H1123-I1126 PolarHBondContact O-N 2.9Å; H1123-F1209 HydrophobicContact CB-CD1 4.28Å | ||
| 1124 | Q | 68.8 | Low | 64.9 | Low | 21 Ų | 21 | 24.5 Ų | 24.5 | 10% | 0.098 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -53 | -34.6 | -169.8 | -164 | -161.3 | -5.2 | 0 | 0 | 113.3 | I1122 I1126 L1127 L1128 F1220 R1223 Y1224 | I1122-Q1124 PolarHBondContact O-N 2.92Å; Q1124-I1126 PolarHBondContact O-N 3.39Å; Q1124-L1127 PolarHBondContact O-N 3.47Å; Q1124-L1128 HydrophobicContact CG-CD1 4.01Å; Q1124-L1128 HydrophobicContact CG-CG 4.25Å; Q1124-L1128 WeakPolarHBondContact O-CB 3.17Å; Q1124-L1128 VanDerWaalsContact O-CG 3.3Å; Q1124-L1128 WeakPolarHBondContact O-CG 3.45Å; Q1124-L1128 PolarHBondContact O-N 2.88Å; Q1124-F1220 HydrophobicContact CB-CB 4.25Å; Q1124-F1220 VanDerWaalsContact CD-O 3.25Å; Q1124-F1220 PolarHBondContact OE1-O 2.9Å; Q1124-R1223 VanDerWaalsContact NE2-C 3.3Å; Q1124-R1223 PolarHBondContact NE2-O 2.81Å; Q1124-Y1224 HydrophobicContact CG-CD2 4.41Å |
| 1125 | S | 63.5 | Low | 63.2 | Low | 45 Ų | 45 | 22.9 Ų | 22.9 | 32% | 0.315 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -62.8 | -22.3 | 178.5 | 70.1 | 0 | 0 | 0 | 0 | 114.1 | H1123 R1129 | H1123-S1125 PolarHBondContact CE1-OG 3.47Å; H1123-S1125 PolarHBondContact ND1-N 2.81Å; H1123-S1125 PolarHBondContact ND1-OG 3.45Å; H1123-S1125 PolarHBondContact O-N 2.98Å; S1125-R1129 VanDerWaalsContact O-CB 3.27Å; S1125-R1129 WeakPolarHBondContact O-CB 3.48Å; S1125-R1129 WeakPolarHBondContact O-CG 3.48Å; S1125-R1129 PolarHBondContact O-N 3.3Å |
| 1126 | I | 64.9 | Low | 61.5 | Low | 8 Ų | 8 | 29.7 Ų | 29.7 | 4% | 0.041 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -79.4 | -43.6 | 177.2 | -58 | 177.1 | 0 | 0 | 0 | 110.2 | A1009 I1122 H1123 Q1124 L1128 R1129 Q1130 | A1009-I1126 HydrophobicContact CB-CD1 3.61Å; I1122-I1126 HydrophobicContact CG2-CB 3.97Å; I1122-I1126 HydrophobicContact CG2-CD1 4.34Å; I1122-I1126 HydrophobicContact CG2-CG2 4.07Å; H1123-I1126 WeakPolarHBondContact O-CB 3.49Å; H1123-I1126 PolarHBondContact O-N 2.9Å; Q1124-I1126 PolarHBondContact O-N 3.39Å; I1126-L1128 VanDerWaalsContact C-N 3.33Å; I1126-R1129 CarbonylContact O-C 3.59Å; I1126-R1129 PolarHBondContact O-N 2.97Å; I1126-Q1130 PolarHBondContact O-N 3.25Å |
| 1127 | L | 64.3 | Low | 59.4 | Low | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.3 | -36.8 | 174.3 | -58 | 176.2 | 0 | 0 | 0 | 111.7 | I1122 Q1124 Q1130 T1131 T1163 V1164 V1167 Y1221 Y1224 | I1122-L1127 HydrophobicContact CG2-CD2 4.17Å; I1122-L1127 HydrophobicContact CG2-CG 4.23Å; Q1124-L1127 PolarHBondContact O-N 3.47Å; L1127-Q1130 PolarHBondContact O-N 3.26Å; L1127-T1131 PolarHBondContact O-N 3.44Å; L1127-T1131 PolarHBondContact O-OG1 3.16Å; L1127-T1163 HydrophobicContact CD2-CG2 4.21Å; L1127-V1164 HydrophobicContact CD2-CG2 4.17Å; L1127-V1167 HydrophobicContact CD1-CG1 4.41Å; L1127-V1167 HydrophobicContact CD1-CG2 4.28Å; L1127-V1167 HydrophobicContact CD2-CG2 4.04Å; L1127-Y1221 HydrophobicContact CD1-CD1 4.3Å; L1127-Y1221 HydrophobicContact CD1-CE1 3.69Å; L1127-Y1224 HydrophobicContact CB-CD2 4.49Å; L1127-Y1224 HydrophobicContact CB-CE2 3.81Å |
| 1128 | L | 60.8 | Low | 57.4 | Low | 52 Ų | 52 | 31.6 Ų | 31.6 | 27% | 0.272 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.9 | -46.4 | 169.4 | -69.4 | 172 | 0 | 0 | 0 | 111.3 | Q1124 I1126 Q1130 T1131 E1132 Y1224 F1226 | Q1124-L1128 HydrophobicContact CG-CD1 4.01Å; Q1124-L1128 HydrophobicContact CG-CG 4.25Å; Q1124-L1128 WeakPolarHBondContact O-CB 3.17Å; Q1124-L1128 VanDerWaalsContact O-CG 3.3Å; Q1124-L1128 WeakPolarHBondContact O-CG 3.45Å; Q1124-L1128 PolarHBondContact O-N 2.88Å; I1126-L1128 VanDerWaalsContact C-N 3.33Å; L1128-Q1130 VanDerWaalsContact C-N 3.31Å; L1128-Q1130 PolarHBondContact O-N 3.12Å; L1128-T1131 WeakPolarHBondContact CA-OG1 3.36Å; L1128-T1131 PolarHBondContact O-N 2.76Å; L1128-T1131 PolarHBondContact O-OG1 2.99Å; L1128-T1131 VanDerWaalsContact O-OG1 3.05Å; L1128-E1132 WeakPolarHBondContact O-CB 3.43Å; L1128-E1132 VanDerWaalsContact O-CG 3.32Å; L1128-E1132 WeakPolarHBondContact O-CG 3.32Å; L1128-E1132 PolarHBondContact O-N 3.22Å; L1128-Y1224 HydrophobicContact CD2-CD2 4.07Å; L1128-Y1224 HydrophobicContact CD2-CE2 4.17Å; L1128-Y1224 HydrophobicContact CG-CD2 4.43Å; L1128-F1226 HydrophobicContact CD2-CD2 3.95Å; L1128-F1226 HydrophobicContact CD2-CE2 3.5Å; L1128-F1226 VanDerWaalsContact CD2-CE2 3.5Å; L1128-F1226 HydrophobicContact CD2-CZ 4.45Å |
| 1129 | R | 55.6 | Low | 55.7 | Low | 97 Ų | 97 | 32.7 Ų | 32.7 | 37% | 0.366 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.2 | -37.2 | 173.8 | -82.9 | 177.2 | -178.6 | -153.2 | 1 | 112.6 | S1016 S1125 I1126 E1132 T1133 | S1016-R1129 PolarHBondContact OG-NH1 2.9Å; S1125-R1129 VanDerWaalsContact O-CB 3.27Å; S1125-R1129 WeakPolarHBondContact O-CB 3.48Å; S1125-R1129 WeakPolarHBondContact O-CG 3.48Å; S1125-R1129 PolarHBondContact O-N 3.3Å; I1126-R1129 CarbonylContact O-C 3.59Å; I1126-R1129 PolarHBondContact O-N 2.97Å; R1129-E1132 CarbonylContact O-C 3.48Å; R1129-E1132 PolarHBondContact O-N 3.42Å; R1129-T1133 WeakPolarHBondContact O-CG2 3.34Å; R1129-T1133 PolarHBondContact O-N 3.21Å |
| 1130 | Q | 51.9 | Low | 53.8 | Low | 5 Ų | 5 | 33.1 Ų | 33.1 | 2% | 0.023 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.2 | -42.1 | 178.6 | -84.4 | -176.5 | -39.9 | 0 | 0 | 112.6 | D1033 I1126 L1127 L1128 E1132 T1133 I1134 T1163 | D1033-Q1130 PolarHBondContact OD1-NE2 3.16Å; I1126-Q1130 PolarHBondContact O-N 3.25Å; L1127-Q1130 PolarHBondContact O-N 3.26Å; L1128-Q1130 VanDerWaalsContact C-N 3.31Å; L1128-Q1130 PolarHBondContact O-N 3.12Å; Q1130-E1132 VanDerWaalsContact C-N 3.27Å; Q1130-E1132 PolarHBondContact O-N 3.04Å; Q1130-T1133 WeakPolarHBondContact CA-OG1 3.28Å; Q1130-T1133 CarbonylContact O-C 3.59Å; Q1130-T1133 WeakPolarHBondContact O-CA 3.49Å; Q1130-T1133 PolarHBondContact O-N 3.46Å; Q1130-T1133 PolarHBondContact O-OG1 3.42Å; Q1130-I1134 PolarHBondContact O-N 2.69Å; Q1130-T1163 PolarHBondContact NE2-OG1 3.18Å; Q1130-T1163 PolarHBondContact OE1-OG1 2.71Å |
| 1131 | T | 47.9 | Very low | 51.5 | Low | 17 Ų | 17 | 34.3 Ų | 34.3 | 10% | 0.104 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.3 | -33.6 | 170.1 | 44.4 | 0 | 0 | 0 | 0 | 111.6 | L1127 L1128 T1133 I1134 E1135 Y1224 F1226 | L1127-T1131 PolarHBondContact O-N 3.44Å; L1127-T1131 PolarHBondContact O-OG1 3.16Å; L1128-T1131 WeakPolarHBondContact CA-OG1 3.36Å; L1128-T1131 PolarHBondContact O-N 2.76Å; L1128-T1131 PolarHBondContact O-OG1 2.99Å; L1128-T1131 VanDerWaalsContact O-OG1 3.05Å; T1131-T1133 VanDerWaalsContact C-N 3.31Å; T1131-T1133 PolarHBondContact O-N 3.5Å; T1131-I1134 WeakPolarHBondContact O-CB 3.49Å; T1131-I1134 PolarHBondContact O-N 3.41Å; T1131-E1135 PolarHBondContact O-N 2.75Å; T1131-Y1224 VanDerWaalsContact CG2-OH 3.28Å; T1131-Y1224 WeakPolarHBondContact CG2-OH 3.24Å; T1131-F1226 HydrophobicContact CG2-CB 4.32Å; T1131-F1226 HydrophobicContact CG2-CD1 4.37Å; T1131-F1226 HydrophobicContact CG2-CG 4.4Å |
| 1132 | E | 41.5 | Very low | 49.4 | Very low | 79 Ų | 79 | 35.2 Ų | 35.2 | 37% | 0.369 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69 | -21.3 | 166 | -71.9 | -169.4 | 144.9 | 0 | 0 | 113.7 | K112 L1128 R1129 Q1130 E1135 Y1136 | K112-E1132 IonicContact NZ-OE1 2.68Å; K112-E1132 PolarHBondContact NZ-OE1 3.36Å; L1128-E1132 WeakPolarHBondContact O-CB 3.43Å; L1128-E1132 VanDerWaalsContact O-CG 3.32Å; L1128-E1132 WeakPolarHBondContact O-CG 3.32Å; L1128-E1132 PolarHBondContact O-N 3.22Å; R1129-E1132 CarbonylContact O-C 3.48Å; R1129-E1132 PolarHBondContact O-N 3.42Å; Q1130-E1132 VanDerWaalsContact C-N 3.27Å; Q1130-E1132 PolarHBondContact O-N 3.04Å; E1132-E1135 CarbonylContact O-C 3.52Å; E1132-E1135 WeakPolarHBondContact O-CA 3.36Å; E1132-E1135 VanDerWaalsContact O-CB 3.23Å; E1132-E1135 WeakPolarHBondContact O-CB 3.45Å; E1132-E1135 PolarHBondContact O-N 3.17Å; E1132-Y1136 WeakPolarHBondContact O-CD2 2.85Å; E1132-Y1136 WeakPolarHBondContact O-CE2 3.22Å |
| 1133 | T | 40.6 | Very low | 47.1 | Very low | 41 Ų | 41 | 40.5 Ų | 40.5 | 25% | 0.252 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -77.8 | -23.8 | 167.8 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | K1029 R1129 Q1130 T1131 E1135 Y1136 | K1029-T1133 PolarHBondContact NZ-OG1 3.08Å; R1129-T1133 WeakPolarHBondContact O-CG2 3.34Å; R1129-T1133 PolarHBondContact O-N 3.21Å; Q1130-T1133 WeakPolarHBondContact CA-OG1 3.28Å; Q1130-T1133 CarbonylContact O-C 3.59Å; Q1130-T1133 WeakPolarHBondContact O-CA 3.49Å; Q1130-T1133 PolarHBondContact O-N 3.46Å; Q1130-T1133 PolarHBondContact O-OG1 3.42Å; T1131-T1133 VanDerWaalsContact C-N 3.31Å; T1131-T1133 PolarHBondContact O-N 3.5Å; T1133-E1135 PolarHBondContact O-N 2.68Å; T1133-Y1136 PolarHBondContact O-N 3.25Å |
| 1134 | I | 40.5 | Very low | 45 | Very low | 45 Ų | 45 | 42.3 Ų | 42.3 | 23% | 0.231 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.5 | -29.6 | 164.7 | -59.4 | 169.4 | 0 | 0 | 0 | 109.4 | Q1130 T1131 Y1136 G1137 P1139 S1159 | Q1130-I1134 PolarHBondContact O-N 2.69Å; T1131-I1134 WeakPolarHBondContact O-CB 3.49Å; T1131-I1134 PolarHBondContact O-N 3.41Å; I1134-Y1136 PolarHBondContact O-N 3.44Å; I1134-G1137 CarbonylContact O-C 3.51Å; I1134-G1137 PolarHBondContact O-N 3.42Å; I1134-G1137 VanDerWaalsContact O-O 3.13Å; I1134-P1139 HydrophobicContact CG2-CG 4.28Å; I1134-S1159 WeakPolarHBondContact CD1-O 3.42Å |
| 1135 | E | 38.8 | Very low | 42.9 | Very low | 28 Ų | 28 | 48 Ų | 48 | 13% | 0.131 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 21.7 | 163 | -57.7 | -170.5 | -138.5 | 0 | 0 | 114.8 | K112 R119 K204 T1131 E1132 T1133 | K112-E1135 WeakPolarHBondContact CE-OE1 3.47Å; K112-E1135 VanDerWaalsContact CE-OE2 3.24Å; K112-E1135 WeakPolarHBondContact CE-OE2 3.32Å; K112-E1135 IonicContact NZ-OE1 2.7Å; K112-E1135 PolarHBondContact NZ-OE1 3.12Å; K112-E1135 IonicContact NZ-OE2 2.59Å; R119-E1135 IonicContact CZ-OE2 3.04Å; R119-E1135 IonicContact NH1-OE2 3.64Å; R119-E1135 PolarHBondContact NH1-OE2 2.85Å; R119-E1135 PolarHBondContact NH2-O 3.13Å; K204-E1135 WeakPolarHBondContact CE-O 3.3Å; K204-E1135 PolarHBondContact NZ-O 3.03Å; T1131-E1135 PolarHBondContact O-N 2.75Å; E1132-E1135 CarbonylContact O-C 3.52Å; E1132-E1135 WeakPolarHBondContact O-CA 3.36Å; E1132-E1135 VanDerWaalsContact O-CB 3.23Å; E1132-E1135 WeakPolarHBondContact O-CB 3.45Å; E1132-E1135 PolarHBondContact O-N 3.17Å; T1133-E1135 PolarHBondContact O-N 2.68Å |
| 1136 | Y | 39.4 | Very low | 41 | Very low | 143 Ų | 143 | 53 Ų | 53 | 56% | 0.561 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.7 | 1.2 | 165.2 | -67.7 | -113.1 | 0 | 0 | 0 | 113.2 | K204 E1132 T1133 I1134 | K204-Y1136 HydrophobicContact CD-CD1 3.95Å; K204-Y1136 HydrophobicContact CD-CE1 3.8Å; K204-Y1136 VanDerWaalsContact NZ-CD1 3.32Å; K204-Y1136 VanDerWaalsContact NZ-CG 3.31Å; E1132-Y1136 WeakPolarHBondContact O-CD2 2.85Å; E1132-Y1136 WeakPolarHBondContact O-CE2 3.22Å; T1133-Y1136 PolarHBondContact O-N 3.25Å; I1134-Y1136 PolarHBondContact O-N 3.44Å |
| 1137 | G | 37.7 | Very low | 39 | Very low | 17 Ų | 17 | 62.9 Ų | 62.9 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -173.4 | 109.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | I1134 P1139 | I1134-G1137 CarbonylContact O-C 3.51Å; I1134-G1137 PolarHBondContact O-N 3.42Å; I1134-G1137 VanDerWaalsContact O-O 3.13Å; G1137-P1139 WeakPolarHBondContact O-CD 3.46Å |
| 1138 | F | 37.4 | Very low | 37 | Very low | 22 Ų | 22 | 69.7 Ų | 69.7 | 10% | 0.096 | 33% | 0.333 | C | S | . | . | trans | -101.2 | 101.9 | -154.9 | -166.6 | -45.8 | 0 | 0 | 0 | 111.5 | L7 L11 S447 M1140 | L7-F1138 HydrophobicContact CD1-CE2 4.46Å; L7-F1138 HydrophobicContact CD2-CE2 4.38Å; L11-F1138 HydrophobicContact CD1-CE1 4.4Å; L11-F1138 HydrophobicContact CD1-CZ 3.8Å; L11-F1138 HydrophobicContact CD2-CE1 3.62Å; L11-F1138 HydrophobicContact CD2-CZ 3.67Å; L11-F1138 HydrophobicContact CG-CZ 4.18Å; S447-F1138 WeakPolarHBondContact CB-O 3.26Å; F1138-M1140 HydrophobicContact CD1-CG 3.63Å; F1138-M1140 HydrophobicContact CD1-SD 3.94Å; F1138-M1140 HydrophobicContact CE1-CG 3.73Å; F1138-M1140 HydrophobicContact CE1-SD 3.37Å; F1138-M1140 WeakPolarHBondContact CE1-SD 3.32Å; F1138-M1140 HydrophobicContact CZ-SD 3.98Å; F1138-M1140 PolarHBondContact O-N 3.32Å | ||
| 1139 | P | 38.5 | Very low | 35.2 | Very low | 27 Ų | 27 | 75.1 Ų | 75.1 | 18% | 0.175 | 36% | 0.361 | C | S | . | . | trans | -73.1 | 93.8 | 177 | 31.8 | -34.7 | 0 | 0 | 0 | 110.4 | I1134 G1137 S1141 | I1134-P1139 HydrophobicContact CG2-CG 4.28Å; G1137-P1139 WeakPolarHBondContact O-CD 3.46Å; P1139-S1141 PolarHBondContact O-N 3.07Å; P1139-S1141 VanDerWaalsContact O-N 3.1Å | ||
| 1140 | M | 37.4 | Very low | 33.7 | Very low | 9 Ų | 9 | 75.2 Ų | 75.2 | 4% | 0.044 | 38% | 0.376 | C | S | . | . | trans | -74.7 | 16 | 179.2 | -85.1 | -74 | -72.2 | 0 | 0 | 114.2 | L123 W132 L448 F1138 V1142 | L123-M1140 HydrophobicContact CD2-CE 3.19Å; L123-M1140 HydrophobicContact CD2-SD 3.64Å; W132-M1140 HydrophobicContact CD2-CE 3.38Å; W132-M1140 HydrophobicContact CE3-CE 3.93Å; W132-M1140 HydrophobicContact CG-CE 3.67Å; W132-M1140 HydrophobicContact CH2-CE 4.24Å; W132-M1140 HydrophobicContact CH2-SD 4.24Å; W132-M1140 HydrophobicContact CZ2-CE 3.73Å; W132-M1140 HydrophobicContact CZ2-SD 3.79Å; W132-M1140 HydrophobicContact CZ3-CE 4.33Å; W132-M1140 PolarHBondContact NE1-O 2.64Å; L448-M1140 HydrophobicContact CB-CB 4.08Å; L448-M1140 HydrophobicContact CD1-CB 3.65Å; L448-M1140 HydrophobicContact CD1-CE 3.61Å; L448-M1140 HydrophobicContact CD1-CG 4.09Å; L448-M1140 HydrophobicContact CG-CB 3.52Å; L448-M1140 HydrophobicContact CG-CG 4.35Å; F1138-M1140 HydrophobicContact CD1-CG 3.63Å; F1138-M1140 HydrophobicContact CD1-SD 3.94Å; F1138-M1140 HydrophobicContact CE1-CG 3.73Å; F1138-M1140 HydrophobicContact CE1-SD 3.37Å; F1138-M1140 WeakPolarHBondContact CE1-SD 3.32Å; F1138-M1140 HydrophobicContact CZ-SD 3.98Å; F1138-M1140 PolarHBondContact O-N 3.32Å; M1140-V1142 PolarHBondContact O-N 3.37Å | ||
| 1141 | S | 31.5 | Very low | 32.4 | Very low | 25 Ų | 25 | 84.3 Ų | 84.3 | 18% | 0.175 | 41% | 0.41 | C | S | . | . | trans | -98 | 72.8 | -172.3 | 50.4 | 0 | 0 | 0 | 0 | 112 | F444 P1139 | F444-S1141 WeakPolarHBondContact O-CB 3.47Å; F444-S1141 PolarHBondContact O-OG 3.32Å; P1139-S1141 PolarHBondContact O-N 3.07Å; P1139-S1141 VanDerWaalsContact O-N 3.1Å | ||
| 1142 | V | 29.6 | Very low | 31.3 | Very low | 18 Ų | 18 | 92.1 Ų | 92.1 | 11% | 0.109 | 44% | 0.443 | C | S | . | . | trans | -111.5 | 121.5 | 168.3 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | C14 M1140 | C14-V1142 HydrophobicContact CB-CG1 4.47Å; M1140-V1142 PolarHBondContact O-N 3.37Å | ||
| 1143 | Y | 27.9 | Very low | 30.5 | Very low | 115 Ų | 115 | 94.6 Ų | 94.6 | 45% | 0.451 | 46% | 0.463 | S | S | . | . | trans | -143.6 | 121.5 | 167 | -144.1 | -60.5 | 0 | 0 | 0 | 108.8 | L512 | L512-Y1143 HydrophobicContact CD2-CD2 3.96Å; L512-Y1143 HydrophobicContact CD2-CE2 4.23Å | ||
| 1144 | F | 25.9 | Very low | 30 | Very low | 75 Ų | 75 | 98.2 Ų | 98.2 | 33% | 0.329 | 48% | 0.48 | S | S | . | . | trans | -104.6 | 142 | 163.5 | -91.1 | -76 | 0 | 0 | 0 | 108.6 | L1155 | F1144-L1155 HydrophobicContact CD1-CD2 4.07Å; F1144-L1155 HydrophobicContact CE1-CD2 3.5Å; F1144-L1155 VanDerWaalsContact CE1-CD2 3.5Å; F1144-L1155 HydrophobicContact CE1-CG 3.87Å; F1144-L1155 HydrophobicContact CE2-CD2 4.24Å; F1144-L1155 HydrophobicContact CZ-CD2 3.6Å; F1144-L1155 HydrophobicContact CZ-CG 4.09Å | ||
| 1145 | N | 26.1 | Very low | 29.4 | Very low | 141 Ų | 141 | 102 Ų | 102 | 75% | 0.754 | 50% | 0.5 | S | S | * | . | trans | -135.7 | 138.2 | 174.6 | -128.9 | -22.4 | 0 | 0 | 0 | 111 | ||||
| 1146 | N | 23 | Very low | 29.3 | Very low | 148 Ų | 148 | 103.3 Ų | 103.3 | 79% | 0.791 | 51% | 0.509 | S | S | * | . | trans | -87.2 | 127.6 | -162.7 | -79.7 | -59.4 | 0 | 0 | 0 | 114.3 | ||||
| 1147 | R | 22.8 | Very low | 29.2 | Very low | 216 Ų | 216 | 99.9 Ų | 99.9 | 82% | 0.815 | 50% | 0.501 | S | S | * | . | trans | 148.7 | 110.8 | 144.5 | -82.8 | 155.6 | -174.7 | -119.7 | -4.2 | 109 | ||||
| 1148 | D | 23.3 | Very low | 29.2 | Very low | 143 Ų | 143 | 101.1 Ų | 101.1 | 77% | 0.765 | 50% | 0.503 | S | S | * | . | -149.5 | 147.8 | 58.1 | -84.6 | -28.5 | 0 | 0 | 0 | 113.9 | S1150 | D1148-S1150 PolarHBondContact O-N 3.07Š| |||
| 1149 | I | 22.7 | Very low | 29.5 | Very low | 167 Ų | 167 | 102.6 Ų | 102.6 | 86% | 0.856 | 52% | 0.516 | S | S | * | . | trans | -91.3 | 75 | -173.2 | -55.2 | 169.4 | 0 | 0 | 0 | 110.1 | ||||
| 1150 | S | 22.9 | Very low | 30 | Very low | 98 Ų | 98 | 102.7 Ų | 102.7 | 69% | 0.685 | 52% | 0.518 | S | S | * | . | trans | -148.9 | 17.4 | -178.6 | 65 | 0 | 0 | 0 | 0 | 118 | D1148 | D1148-S1150 PolarHBondContact O-N 3.07Š| ||
| 1151 | R | 25.1 | Very low | 31.1 | Very low | 197 Ų | 197 | 103.1 Ų | 103.1 | 74% | 0.743 | 52% | 0.522 | S | S | * | . | trans | -151.5 | 99.3 | 165 | -98 | 152.8 | -157.5 | -176.6 | 6.3 | 112 | T1153 | R1151-T1153 PolarHBondContact O-N 2.62Š| ||
| 1152 | K | 24.5 | Very low | 32.7 | Very low | 181 Ų | 181 | 103.8 Ų | 103.8 | 79% | 0.787 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 97.2 | 177.1 | -74.6 | -177.3 | 175.6 | 179 | 0 | 111.9 | ||
| 1153 | T | 25.9 | Very low | 34.6 | Very low | 130 Ų | 130 | 102.9 Ų | 102.9 | 80% | 0.798 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -168.6 | -27.7 | 150.6 | 16.4 | 0 | 0 | 0 | 0 | 115.5 | R1151 | R1151-T1153 PolarHBondContact O-N 2.62Š|
| 1154 | I | 30 | Very low | 36.7 | Very low | 117 Ų | 117 | 97.7 Ų | 97.7 | 60% | 0.6 | 50% | 0.5 | S | S | * | . | trans | -109.6 | 98.1 | -167.3 | -52.4 | 176.7 | 0 | 0 | 0 | 111.2 | ||||
| 1155 | L | 27.6 | Very low | 38.8 | Very low | 126 Ų | 126 | 98 Ų | 98 | 66% | 0.66 | 50% | 0.499 | S | S | * | . | trans | -160.5 | 98.8 | 168.3 | -119.8 | 123.5 | 0 | 0 | 0 | 109.1 | F1144 | F1144-L1155 HydrophobicContact CD1-CD2 4.07Å; F1144-L1155 HydrophobicContact CE1-CD2 3.5Å; F1144-L1155 VanDerWaalsContact CE1-CD2 3.5Å; F1144-L1155 HydrophobicContact CE1-CG 3.87Å; F1144-L1155 HydrophobicContact CE2-CD2 4.24Å; F1144-L1155 HydrophobicContact CZ-CD2 3.6Å; F1144-L1155 HydrophobicContact CZ-CG 4.09Å | ||
| 1156 | V | 36.9 | Very low | 41.2 | Very low | 54 Ų | 54 | 91.2 Ų | 91.2 | 33% | 0.327 | 46% | 0.463 | S | S | . | . | trans | -143.9 | 142 | 173.4 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1157 | D | 35.5 | Very low | 44.1 | Very low | 71 Ų | 71 | 84.2 Ų | 84.2 | 38% | 0.38 | 43% | 0.425 | S | S | . | . | trans | -47.6 | 126.5 | -167.4 | -48.1 | -68 | 0 | 0 | 0 | 115.6 | S1159 S1160 | D1157-S1159 PolarHBondContact O-N 2.87Å; D1157-S1160 PolarHBondContact O-N 2.87Å; D1157-S1160 PolarHBondContact O-OG 3.33Å | ||
| 1158 | N | 39.2 | Very low | 46.7 | Very low | 43 Ų | 43 | 76.9 Ų | 76.9 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -16.2 | -172.7 | -71.8 | -17.4 | 0 | 0 | 0 | 114.5 | S1160 R1165 | N1158-S1160 VanDerWaalsContact C-N 3.33Å; N1158-S1160 PolarHBondContact O-N 2.83Å; N1158-R1165 PolarHBondContact O-NH2 2.94Å |
| 1159 | S | 43.2 | Very low | 49.4 | Very low | 53 Ų | 53 | 70.7 Ų | 70.7 | 37% | 0.371 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 7.8 | -178 | 65.1 | 0 | 0 | 0 | 0 | 115.2 | I1134 D1157 | I1134-S1159 WeakPolarHBondContact CD1-O 3.42Å; D1157-S1159 PolarHBondContact O-N 2.87Å |
| 1160 | S | 49 | Very low | 52.4 | Low | 29 Ų | 29 | 62.7 Ų | 62.7 | 20% | 0.203 | 32% | 0.324 | C | S | . | . | trans | -70.5 | 138.2 | 177 | 47.9 | 0 | 0 | 0 | 0 | 112.3 | D1157 N1158 R1165 | D1157-S1160 PolarHBondContact O-N 2.87Å; D1157-S1160 PolarHBondContact O-OG 3.33Å; N1158-S1160 VanDerWaalsContact C-N 3.33Å; N1158-S1160 PolarHBondContact O-N 2.83Å; S1160-R1165 PolarHBondContact OG-NE 2.56Å | ||
| 1161 | S | 59.7 | Low | 55.3 | Low | 18 Ų | 18 | 58 Ų | 58 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | trans | -63.6 | 152 | 171.9 | 62.5 | 0 | 0 | 0 | 0 | 110.9 | T1163 V1164 R1165 | S1161-T1163 PolarHBondContact O-N 3.05Å; S1161-T1163 VanDerWaalsContact O-N 3.1Å; S1161-V1164 WeakPolarHBondContact O-CB 3.36Å; S1161-V1164 PolarHBondContact O-N 3.29Å; S1161-V1164 WeakPolarHBondContact OG-CG2 3.4Å; S1161-R1165 PolarHBondContact O-N 3.47Å | ||
| 1162 | P | 64.9 | Low | 58 | Low | 39 Ų | 39 | 49.8 Ų | 49.8 | 25% | 0.253 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.2 | -31.2 | -179.4 | 21.7 | -33.8 | 0 | 0 | 0 | 112.4 | N1037 E1040 V1164 R1165 A1166 | N1037-P1162 HydrophobicContact CB-CB 4.25Å; E1040-P1162 WeakPolarHBondContact OE2-CA 3.5Å; E1040-P1162 WeakPolarHBondContact OE2-CB 3.4Å; P1162-V1164 PolarHBondContact O-N 3.47Å; P1162-R1165 CarbonylContact O-C 3.44Å; P1162-R1165 PolarHBondContact O-N 2.99Å; P1162-A1166 WeakPolarHBondContact O-CB 3.4Å; P1162-A1166 PolarHBondContact O-N 3.48Å |
| 1163 | T | 71.4 | Confident | 60.7 | Low | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -39.2 | 173.9 | -39.8 | 0 | 0 | 0 | 0 | 113.3 | F1032 A1036 I1122 L1127 Q1130 S1161 R1165 A1166 V1167 | F1032-T1163 HydrophobicContact CE1-CG2 3.79Å; F1032-T1163 HydrophobicContact CZ-CG2 3.93Å; A1036-T1163 HydrophobicContact CB-CG2 4.2Å; A1036-T1163 VanDerWaalsContact CB-OG1 3.25Å; A1036-T1163 WeakPolarHBondContact CB-OG1 3.47Å; I1122-T1163 HydrophobicContact CD1-CG2 3.95Å; L1127-T1163 HydrophobicContact CD2-CG2 4.21Å; Q1130-T1163 PolarHBondContact NE2-OG1 3.18Å; Q1130-T1163 PolarHBondContact OE1-OG1 2.71Å; S1161-T1163 PolarHBondContact O-N 3.05Å; S1161-T1163 VanDerWaalsContact O-N 3.1Å; T1163-R1165 VanDerWaalsContact C-N 3.28Å; T1163-R1165 PolarHBondContact O-N 2.94Å; T1163-A1166 PolarHBondContact O-N 3.4Å; T1163-V1167 VanDerWaalsContact O-CG2 3.26Å; T1163-V1167 WeakPolarHBondContact O-CG2 3.37Å; T1163-V1167 PolarHBondContact O-N 3.26Å |
| 1164 | V | 70.3 | Confident | 63.5 | Low | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.03 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.1 | -34.9 | 175.7 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | L1127 S1161 P1162 W1168 Y1224 I1230 | L1127-V1164 HydrophobicContact CD2-CG2 4.17Å; S1161-V1164 WeakPolarHBondContact O-CB 3.36Å; S1161-V1164 PolarHBondContact O-N 3.29Å; S1161-V1164 WeakPolarHBondContact OG-CG2 3.4Å; P1162-V1164 PolarHBondContact O-N 3.47Å; V1164-W1168 WeakPolarHBondContact O-CB 3.23Å; V1164-W1168 PolarHBondContact O-N 2.9Å; V1164-Y1224 WeakPolarHBondContact CG2-OH 3.13Å; V1164-I1230 HydrophobicContact CG1-CD1 4.02Å |
| 1165 | R | 70.3 | Confident | 66.1 | Low | 81 Ų | 81 | 31.7 Ų | 31.7 | 31% | 0.306 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -72.1 | -42 | 174.9 | -60.3 | 179.6 | -177.4 | -178.3 | 2.1 | 112.1 | E1040 N1158 S1160 S1161 P1162 T1163 V1167 W1168 L1169 | E1040-R1165 VanDerWaalsContact CD-CD 3.43Å; E1040-R1165 HydrophobicContact CG-CB 4.14Å; E1040-R1165 WeakPolarHBondContact OE1-CD 3.29Å; E1040-R1165 IonicContact OE1-CZ 2.66Å; E1040-R1165 IonicContact OE1-NE 2.75Å; E1040-R1165 IonicContact OE1-NH1 3.89Å; E1040-R1165 PolarHBondContact OE1-NH1 2.98Å; E1040-R1165 WeakPolarHBondContact OE2-CD 3.16Å; N1158-R1165 PolarHBondContact O-NH2 2.94Å; S1160-R1165 PolarHBondContact OG-NE 2.56Å; S1161-R1165 PolarHBondContact O-N 3.47Å; P1162-R1165 CarbonylContact O-C 3.44Å; P1162-R1165 PolarHBondContact O-N 2.99Å; T1163-R1165 VanDerWaalsContact C-N 3.28Å; T1163-R1165 PolarHBondContact O-N 2.94Å; R1165-V1167 PolarHBondContact O-N 2.72Å; R1165-W1168 PolarHBondContact O-N 3.05Å; R1165-W1168 VanDerWaalsContact O-N 3.17Å; R1165-L1169 WeakPolarHBondContact O-CB 3.43Å; R1165-L1169 WeakPolarHBondContact O-CG 3.46Å; R1165-L1169 PolarHBondContact O-N 3Å |
| 1166 | A | 78 | Confident | 68.7 | Low | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62 | -39.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1039 F1043 F1119 P1162 T1163 S1170 | A1039-A1166 HydrophobicContact CB-CB 4.26Å; F1043-A1166 HydrophobicContact CD2-CB 4.43Å; F1043-A1166 HydrophobicContact CE2-CB 4.47Å; F1119-A1166 HydrophobicContact CD1-CB 4.13Å; F1119-A1166 HydrophobicContact CE1-CB 4.11Å; P1162-A1166 WeakPolarHBondContact O-CB 3.4Å; P1162-A1166 PolarHBondContact O-N 3.48Å; T1163-A1166 PolarHBondContact O-N 3.4Å; A1166-S1170 VanDerWaalsContact O-CB 3.29Å; A1166-S1170 WeakPolarHBondContact O-CB 3.35Å; A1166-S1170 PolarHBondContact O-N 3.48Å; A1166-S1170 PolarHBondContact O-OG 3.24Å |
| 1167 | V | 82.3 | Confident | 70.7 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.7 | -45.4 | 170.6 | 171.7 | 0 | 0 | 0 | 0 | 111 | F1119 I1122 L1127 T1163 R1165 S1170 L1171 Y1221 I1230 | F1119-V1167 WeakPolarHBondContact O-CG2 3.33Å; I1122-V1167 HydrophobicContact CB-CG2 4.3Å; I1122-V1167 HydrophobicContact CD1-CG2 3.95Å; I1122-V1167 HydrophobicContact CG1-CG2 4.5Å; L1127-V1167 HydrophobicContact CD1-CG1 4.41Å; L1127-V1167 HydrophobicContact CD1-CG2 4.28Å; L1127-V1167 HydrophobicContact CD2-CG2 4.04Å; T1163-V1167 VanDerWaalsContact O-CG2 3.26Å; T1163-V1167 WeakPolarHBondContact O-CG2 3.37Å; T1163-V1167 PolarHBondContact O-N 3.26Å; R1165-V1167 PolarHBondContact O-N 2.72Å; V1167-S1170 WeakPolarHBondContact CA-OG 3.17Å; V1167-S1170 PolarHBondContact O-OG 3.15Å; V1167-L1171 HydrophobicContact CG1-CD1 3.88Å; V1167-L1171 HydrophobicContact CG1-CG 4.5Å; V1167-L1171 WeakPolarHBondContact O-CB 3.45Å; V1167-L1171 VanDerWaalsContact O-CG 3.26Å; V1167-L1171 WeakPolarHBondContact O-CG 3.43Å; V1167-L1171 PolarHBondContact O-N 3.02Å; V1167-Y1221 HydrophobicContact CG1-CE2 4.32Å; V1167-I1230 HydrophobicContact CB-CD1 4.43Å; V1167-I1230 HydrophobicContact CG1-CD1 3.95Å |
| 1168 | W | 77.9 | Confident | 72.7 | Confident | 62 Ų | 62 | 22.1 Ų | 22.1 | 24% | 0.235 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.8 | -41.9 | 179.5 | 179 | 72.5 | 0 | 0 | 0 | 112.8 | V1164 R1165 T1172 I1230 | V1164-W1168 WeakPolarHBondContact O-CB 3.23Å; V1164-W1168 PolarHBondContact O-N 2.9Å; R1165-W1168 PolarHBondContact O-N 3.05Å; R1165-W1168 VanDerWaalsContact O-N 3.17Å; W1168-T1172 WeakPolarHBondContact O-CB 3.31Å; W1168-T1172 PolarHBondContact O-N 3.42Å; W1168-T1172 PolarHBondContact O-OG1 2.67Å; W1168-I1230 HydrophobicContact CB-CD1 4.47Å; W1168-I1230 HydrophobicContact CB-CG1 3.97Å; W1168-I1230 HydrophobicContact CG-CG1 4.42Å |
| 1169 | L | 79.5 | Confident | 74.6 | Confident | 13 Ų | 13 | 22.1 Ų | 22.1 | 7% | 0.068 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.8 | -41.9 | 176.3 | -72.6 | 170.5 | 0 | 0 | 0 | 112 | E1040 F1043 M1044 R1165 T1172 L1173 | E1040-L1169 HydrophobicContact CG-CD1 4.02Å; E1040-L1169 WeakPolarHBondContact O-CD1 3.5Å; F1043-L1169 HydrophobicContact CB-CB 3.71Å; F1043-L1169 HydrophobicContact CB-CD1 4.27Å; F1043-L1169 HydrophobicContact CD2-CB 4.4Å; M1044-L1169 HydrophobicContact CB-CD1 4.27Å; R1165-L1169 WeakPolarHBondContact O-CB 3.43Å; R1165-L1169 WeakPolarHBondContact O-CG 3.46Å; R1165-L1169 PolarHBondContact O-N 3Å; L1169-T1172 WeakPolarHBondContact O-CB 3.19Å; L1169-T1172 PolarHBondContact O-N 3.26Å; L1169-L1173 WeakPolarHBondContact O-CB 3.3Å; L1169-L1173 WeakPolarHBondContact O-CG 3.41Å; L1169-L1173 PolarHBondContact O-N 3Å |
| 1170 | S | 86 | Confident | 76 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.9 | -42.9 | 175 | 54.1 | 0 | 0 | 0 | 0 | 112 | S1120 A1166 V1167 T1172 L1173 V1174 | S1120-S1170 PolarHBondContact N-OG 2.81Å; A1166-S1170 VanDerWaalsContact O-CB 3.29Å; A1166-S1170 WeakPolarHBondContact O-CB 3.35Å; A1166-S1170 PolarHBondContact O-N 3.48Å; A1166-S1170 PolarHBondContact O-OG 3.24Å; V1167-S1170 WeakPolarHBondContact CA-OG 3.17Å; V1167-S1170 PolarHBondContact O-OG 3.15Å; S1170-T1172 VanDerWaalsContact C-N 3.31Å; S1170-T1172 PolarHBondContact O-N 2.85Å; S1170-L1173 PolarHBondContact O-N 3.42Å; S1170-V1174 WeakPolarHBondContact O-CG2 3.49Å; S1170-V1174 PolarHBondContact O-N 3.16Å |
| 1171 | L | 83.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59 | -41.4 | 170.7 | -73.6 | 167.6 | 0 | 0 | 0 | 111.9 | V1167 V1174 H1175 L1218 Y1221 I1230 L1233 V1234 | V1167-L1171 HydrophobicContact CG1-CD1 3.88Å; V1167-L1171 HydrophobicContact CG1-CG 4.5Å; V1167-L1171 WeakPolarHBondContact O-CB 3.45Å; V1167-L1171 VanDerWaalsContact O-CG 3.26Å; V1167-L1171 WeakPolarHBondContact O-CG 3.43Å; V1167-L1171 PolarHBondContact O-N 3.02Å; L1171-V1174 PolarHBondContact O-N 3.08Å; L1171-H1175 PolarHBondContact O-N 3.08Å; L1171-L1218 HydrophobicContact CD2-CD2 3.65Å; L1171-Y1221 HydrophobicContact CD1-CD2 4.21Å; L1171-Y1221 HydrophobicContact CD1-CE2 4.05Å; L1171-Y1221 HydrophobicContact CD2-CE2 4.48Å; L1171-I1230 HydrophobicContact CD1-CG2 4.01Å; L1171-L1233 VanDerWaalsContact C-CD2 3.4Å; L1171-L1233 HydrophobicContact CB-CD2 3.69Å; L1171-L1233 WeakPolarHBondContact O-CD2 3.24Å; L1171-V1234 HydrophobicContact CD1-CG2 4.1Å |
| 1172 | T | 81.8 | Confident | 77.7 | Confident | 24 Ų | 24 | 19.7 Ų | 19.7 | 15% | 0.147 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.9 | -46.1 | 177 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | T1047 W1168 L1169 S1170 H1175 H1176 L1233 | T1047-T1172 HydrophobicContact CG2-CG2 4.41Å; W1168-T1172 WeakPolarHBondContact O-CB 3.31Å; W1168-T1172 PolarHBondContact O-N 3.42Å; W1168-T1172 PolarHBondContact O-OG1 2.67Å; L1169-T1172 WeakPolarHBondContact O-CB 3.19Å; L1169-T1172 PolarHBondContact O-N 3.26Å; S1170-T1172 VanDerWaalsContact C-N 3.31Å; S1170-T1172 PolarHBondContact O-N 2.85Å; T1172-H1175 PolarHBondContact O-N 3.2Å; T1172-H1176 WeakPolarHBondContact O-CB 3.3Å; T1172-H1176 PolarHBondContact O-N 3.47Å; T1172-L1233 HydrophobicContact CG2-CD1 4.24Å; T1172-L1233 VanDerWaalsContact OG1-CD1 3.24Å; T1172-L1233 WeakPolarHBondContact OG1-CD1 3.4Å |
| 1173 | L | 82.4 | Confident | 78 | Confident | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.7 | -47 | 174.6 | -77 | 172.3 | 0 | 0 | 0 | 111.5 | F1043 L1046 T1047 L1050 L1116 L1169 S1170 H1175 H1176 L1177 | F1043-L1173 HydrophobicContact CB-CD1 3.72Å; F1043-L1173 HydrophobicContact CD1-CD1 3.93Å; F1043-L1173 HydrophobicContact CG-CD1 3.98Å; L1046-L1173 HydrophobicContact CB-CD1 4.09Å; L1046-L1173 HydrophobicContact CB-CD2 4.04Å; L1046-L1173 HydrophobicContact CD1-CD1 4.47Å; T1047-L1173 WeakPolarHBondContact OG1-CD2 3.44Å; T1047-L1173 WeakPolarHBondContact OG1-CG 3.34Å; L1050-L1173 HydrophobicContact CD1-CD2 3.91Å; L1116-L1173 HydrophobicContact CD2-CB 4.27Å; L1116-L1173 HydrophobicContact CD2-CD1 3.84Å; L1169-L1173 WeakPolarHBondContact O-CB 3.3Å; L1169-L1173 WeakPolarHBondContact O-CG 3.41Å; L1169-L1173 PolarHBondContact O-N 3Å; S1170-L1173 PolarHBondContact O-N 3.42Å; L1173-H1175 VanDerWaalsContact C-N 3.34Å; L1173-H1175 PolarHBondContact O-N 2.95Å; L1173-H1176 PolarHBondContact O-N 2.8Å; L1173-L1177 HydrophobicContact CB-CD1 4.49Å; L1173-L1177 WeakPolarHBondContact O-CB 3.32Å; L1173-L1177 WeakPolarHBondContact O-CD1 3.26Å; L1173-L1177 WeakPolarHBondContact O-CG 3.42Å; L1173-L1177 PolarHBondContact O-N 3.17Å |
| 1174 | V | 84.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 177.8 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | L1116 S1170 L1171 L1178 L1198 I1202 L1237 | L1116-V1174 HydrophobicContact CB-CG2 4.08Å; S1170-V1174 WeakPolarHBondContact O-CG2 3.49Å; S1170-V1174 PolarHBondContact O-N 3.16Å; L1171-V1174 PolarHBondContact O-N 3.08Å; V1174-L1178 HydrophobicContact CG1-CD1 4.04Å; V1174-L1178 HydrophobicContact CG1-CG 4.44Å; V1174-L1178 WeakPolarHBondContact O-CB 3.35Å; V1174-L1178 VanDerWaalsContact O-CG 3.22Å; V1174-L1178 WeakPolarHBondContact O-CG 3.5Å; V1174-L1178 PolarHBondContact O-N 2.78Å; V1174-L1198 HydrophobicContact CG1-CD2 4.43Å; V1174-I1202 HydrophobicContact CG1-CD1 3.75Å; V1174-L1237 HydrophobicContact CB-CD1 4.26Å; V1174-L1237 HydrophobicContact CG1-CD1 3.87Å |
| 1175 | H | 84.8 | Confident | 77.2 | Confident | 44 Ų | 44 | 26.8 Ų | 26.8 | 20% | 0.204 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.3 | -42.6 | 176.2 | -173.9 | 65.2 | 0 | 0 | 0 | 112.6 | L1171 T1172 L1173 N1179 L1233 L1237 W1240 | L1171-H1175 PolarHBondContact O-N 3.08Å; T1172-H1175 PolarHBondContact O-N 3.2Å; L1173-H1175 VanDerWaalsContact C-N 3.34Å; L1173-H1175 PolarHBondContact O-N 2.95Å; H1175-N1179 PolarHBondContact CD2-ND2 3.29Å; H1175-N1179 PolarHBondContact NE2-ND2 3.08Å; H1175-N1179 VanDerWaalsContact NE2-ND2 3.19Å; H1175-N1179 PolarHBondContact O-N 2.79Å; H1175-N1179 VanDerWaalsContact O-N 3.13Å; H1175-N1179 PolarHBondContact O-ND2 3.21Å; H1175-L1233 HydrophobicContact CB-CD2 4.17Å; H1175-L1237 HydrophobicContact CB-CD1 4.05Å; H1175-W1240 AromaticContact CE1-CD1 3.99Å |
| 1176 | H | 80.7 | Confident | 76.6 | Confident | 50 Ų | 50 | 28.2 Ų | 28.2 | 23% | 0.231 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -73.2 | -40.2 | -179 | -168.3 | 53 | 0 | 0 | 0 | 112.4 | L1050 T1172 L1173 N1179 L1180 | L1050-H1176 PolarHBondContact O-NE2 3.01Å; T1172-H1176 WeakPolarHBondContact O-CB 3.3Å; T1172-H1176 PolarHBondContact O-N 3.47Å; L1173-H1176 PolarHBondContact O-N 2.8Å; H1176-N1179 WeakPolarHBondContact O-CB 3.34Å; H1176-N1179 PolarHBondContact O-N 3.36Å; H1176-L1180 WeakPolarHBondContact O-CG 3.26Å; H1176-L1180 PolarHBondContact O-N 3.18Å |
| 1177 | L | 79.9 | Confident | 75.5 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 173.6 | -72.4 | 168.3 | 0 | 0 | 0 | 111.5 | L1050 L1103 L1106 L1116 L1173 L1180 E1181 L1198 | L1050-L1177 HydrophobicContact CD1-CD2 3.8Å; L1050-L1177 HydrophobicContact CD1-CG 4.34Å; L1103-L1177 HydrophobicContact CD2-CD2 3.66Å; L1106-L1177 HydrophobicContact CD1-CD1 4.12Å; L1106-L1177 HydrophobicContact CD1-CD2 3.89Å; L1116-L1177 HydrophobicContact CD1-CD1 3.61Å; L1173-L1177 HydrophobicContact CB-CD1 4.49Å; L1173-L1177 WeakPolarHBondContact O-CB 3.32Å; L1173-L1177 WeakPolarHBondContact O-CD1 3.26Å; L1173-L1177 WeakPolarHBondContact O-CG 3.42Å; L1173-L1177 PolarHBondContact O-N 3.17Å; L1177-L1180 PolarHBondContact O-N 3.5Å; L1177-E1181 WeakPolarHBondContact O-CB 3.45Å; L1177-E1181 PolarHBondContact O-N 3.43Å; L1177-L1198 HydrophobicContact CB-CD2 3.58Å; L1177-L1198 HydrophobicContact CD1-CD2 4.49Å |
| 1178 | L | 78 | Confident | 73.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 173.4 | -76.7 | 171.8 | 0 | 0 | 0 | 111.7 | V1174 L1180 E1181 N1182 L1198 L1199 I1202 L1237 W1240 | V1174-L1178 HydrophobicContact CG1-CD1 4.04Å; V1174-L1178 HydrophobicContact CG1-CG 4.44Å; V1174-L1178 WeakPolarHBondContact O-CB 3.35Å; V1174-L1178 VanDerWaalsContact O-CG 3.22Å; V1174-L1178 WeakPolarHBondContact O-CG 3.5Å; V1174-L1178 PolarHBondContact O-N 2.78Å; L1178-L1180 PolarHBondContact O-N 2.93Å; L1178-E1181 PolarHBondContact O-N 3.49Å; L1178-N1182 WeakPolarHBondContact O-CB 3.36Å; L1178-N1182 PolarHBondContact O-N 3.12Å; L1178-L1198 HydrophobicContact CD2-CB 4.41Å; L1178-L1198 HydrophobicContact CD2-CD2 3.99Å; L1178-L1198 HydrophobicContact CD2-CG 3.91Å; L1178-L1198 HydrophobicContact CG-CD2 3.87Å; L1178-L1198 HydrophobicContact CG-CG 4.25Å; L1178-L1199 HydrophobicContact CD2-CB 4.39Å; L1178-I1202 HydrophobicContact CD1-CD1 3.92Å; L1178-I1202 HydrophobicContact CD2-CD1 4.17Å; L1178-I1202 HydrophobicContact CG-CD1 4.37Å; L1178-L1237 HydrophobicContact CD1-CD1 4.45Å; L1178-W1240 VanDerWaalsContact C-CZ2 3.44Å; L1178-W1240 HydrophobicContact CB-CD2 4.17Å; L1178-W1240 HydrophobicContact CB-CE3 4.12Å; L1178-W1240 HydrophobicContact CB-CH2 3.77Å; L1178-W1240 HydrophobicContact CB-CZ2 3.78Å; L1178-W1240 HydrophobicContact CB-CZ3 3.95Å; L1178-W1240 HydrophobicContact CD1-CE3 4.01Å; L1178-W1240 HydrophobicContact CD1-CZ3 4.12Å; L1178-W1240 HydrophobicContact CD2-CH2 3.96Å; L1178-W1240 HydrophobicContact CD2-CZ3 3.81Å; L1178-W1240 HydrophobicContact CG-CE3 4.46Å; L1178-W1240 HydrophobicContact CG-CH2 4.36Å; L1178-W1240 HydrophobicContact CG-CZ3 4.18Å; L1178-W1240 WeakPolarHBondContact O-CZ2 3.5Å |
| 1179 | N | 78.2 | Confident | 72.4 | Confident | 44 Ų | 44 | 39.7 Ų | 39.7 | 24% | 0.235 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 175.5 | -83.6 | -61.4 | 0 | 0 | 0 | 112.6 | H1175 H1176 K1183 W1240 | H1175-N1179 PolarHBondContact CD2-ND2 3.29Å; H1175-N1179 PolarHBondContact NE2-ND2 3.08Å; H1175-N1179 VanDerWaalsContact NE2-ND2 3.19Å; H1175-N1179 PolarHBondContact O-N 2.79Å; H1175-N1179 VanDerWaalsContact O-N 3.13Å; H1175-N1179 PolarHBondContact O-ND2 3.21Å; H1176-N1179 WeakPolarHBondContact O-CB 3.34Å; H1176-N1179 PolarHBondContact O-N 3.36Å; N1179-K1183 WeakPolarHBondContact O-CB 3.49Å; N1179-K1183 WeakPolarHBondContact O-CG 3.29Å; N1179-K1183 PolarHBondContact O-N 3.27Å; N1179-K1183 VanDerWaalsContact O-N 3.09Å; N1179-W1240 VanDerWaalsContact OD1-CD1 3.31Å; N1179-W1240 PolarHBondContact OD1-NE1 3.19Å |
| 1180 | L | 72.3 | Confident | 70.8 | Confident | 17 Ų | 17 | 45.2 Ų | 45.2 | 9% | 0.089 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.3 | -45 | 177.2 | -69.6 | 171.6 | 0 | 0 | 0 | 111.7 | L1050 L1103 H1176 L1177 L1178 N1182 K1183 L1184 | L1050-L1180 HydrophobicContact CD2-CD1 4.45Å; L1103-L1180 HydrophobicContact CD1-CD1 4.31Å; L1103-L1180 HydrophobicContact CD2-CB 4.25Å; L1103-L1180 HydrophobicContact CD2-CD1 3.97Å; H1176-L1180 WeakPolarHBondContact O-CG 3.26Å; H1176-L1180 PolarHBondContact O-N 3.18Å; L1177-L1180 PolarHBondContact O-N 3.5Å; L1178-L1180 PolarHBondContact O-N 2.93Å; L1180-N1182 PolarHBondContact O-N 3.18Å; L1180-K1183 CarbonylContact O-C 3.58Å; L1180-K1183 PolarHBondContact O-N 3.3Å; L1180-L1184 HydrophobicContact CB-CD1 4.32Å; L1180-L1184 VanDerWaalsContact O-CB 3.24Å; L1180-L1184 WeakPolarHBondContact O-CB 3.46Å; L1180-L1184 WeakPolarHBondContact O-CD1 3.4Å; L1180-L1184 WeakPolarHBondContact O-CG 3.43Å; L1180-L1184 PolarHBondContact O-N 3.49Å |
| 1181 | E | 72.9 | Confident | 68.8 | Low | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.3 | -49.9 | 178.5 | -173.3 | -177 | -132.8 | 0 | 0 | 111 | L1107 L1177 L1178 L1184 L1185 P1196 P1197 L1198 | L1107-E1181 HydrophobicContact CD2-CG 4.3Å; L1177-E1181 WeakPolarHBondContact O-CB 3.45Å; L1177-E1181 PolarHBondContact O-N 3.43Å; L1178-E1181 PolarHBondContact O-N 3.49Å; E1181-L1184 PolarHBondContact O-N 3.42Å; E1181-L1185 HydrophobicContact CG-CD1 3.68Å; E1181-L1185 WeakPolarHBondContact O-CB 3.35Å; E1181-L1185 PolarHBondContact O-N 2.87Å; E1181-P1196 HydrophobicContact CG-CB 3.81Å; E1181-P1196 WeakPolarHBondContact OE1-CB 3.01Å; E1181-P1196 VanDerWaalsContact OE2-CB 3.24Å; E1181-P1196 WeakPolarHBondContact OE2-CB 3.42Å; E1181-P1197 WeakPolarHBondContact OE1-CD 3.34Å; E1181-P1197 WeakPolarHBondContact OE1-CG 3.33Å; E1181-P1197 VanDerWaalsContact OE1-N 3.13Å; E1181-L1198 PolarHBondContact OE1-N 3.47Å |
| 1182 | N | 72.2 | Confident | 67.2 | Low | 31 Ų | 31 | 57.2 Ų | 57.2 | 17% | 0.166 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.6 | -51.7 | 174.1 | 177 | -5.3 | 0 | 0 | 0 | 112 | L1178 L1180 L1184 I1186 W1240 Y1244 | L1178-N1182 WeakPolarHBondContact O-CB 3.36Å; L1178-N1182 PolarHBondContact O-N 3.12Å; L1180-N1182 PolarHBondContact O-N 3.18Å; N1182-L1184 PolarHBondContact O-N 3.12Å; N1182-I1186 PolarHBondContact O-N 3.48Å; N1182-I1186 WeakPolarHBondContact OD1-CD1 3.42Å; N1182-W1240 HydrophobicContact CB-CH2 4.13Å; N1182-W1240 HydrophobicContact CB-CZ2 3.6Å; N1182-W1240 WeakPolarHBondContact ND2-CZ2 3.42Å; N1182-Y1244 WeakPolarHBondContact ND2-CD1 3.46Å |
| 1183 | K | 70.7 | Confident | 65.7 | Low | 118 Ų | 118 | 61.7 Ų | 61.7 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60 | -26 | 177.2 | -78.8 | -174.6 | 175.6 | -166.4 | 0 | 113.8 | R1063 N1179 L1180 | R1063-K1183 VanDerWaalsContact CZ-O 3.26Å; R1063-K1183 PolarHBondContact NE-O 2.99Å; R1063-K1183 PolarHBondContact NH2-O 2.84Å; N1179-K1183 WeakPolarHBondContact O-CB 3.49Å; N1179-K1183 WeakPolarHBondContact O-CG 3.29Å; N1179-K1183 PolarHBondContact O-N 3.27Å; N1179-K1183 VanDerWaalsContact O-N 3.09Å; L1180-K1183 CarbonylContact O-C 3.58Å; L1180-K1183 PolarHBondContact O-N 3.3Å |
| 1184 | L | 65.3 | Low | 64.4 | Low | 25 Ų | 25 | 67.8 Ų | 67.8 | 13% | 0.131 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -100.4 | -23.9 | -174.2 | -65.1 | 171.4 | 0 | 0 | 0 | 114 | V1059 L1062 R1063 L1066 L1103 L1180 E1181 N1182 | V1059-L1184 HydrophobicContact CG1-CD2 4.39Å; L1062-L1184 HydrophobicContact CD2-CD1 3.88Å; L1062-L1184 HydrophobicContact CD2-CD2 4.01Å; R1063-L1184 HydrophobicContact CB-CD2 4.45Å; R1063-L1184 HydrophobicContact CG-CD2 3.51Å; L1066-L1184 HydrophobicContact CD1-CD1 4.27Å; L1103-L1184 HydrophobicContact CD1-CD1 3.9Å; L1180-L1184 HydrophobicContact CB-CD1 4.32Å; L1180-L1184 VanDerWaalsContact O-CB 3.24Å; L1180-L1184 WeakPolarHBondContact O-CB 3.46Å; L1180-L1184 WeakPolarHBondContact O-CD1 3.4Å; L1180-L1184 WeakPolarHBondContact O-CG 3.43Å; L1180-L1184 PolarHBondContact O-N 3.49Å; E1181-L1184 PolarHBondContact O-N 3.42Å; N1182-L1184 PolarHBondContact O-N 3.12Å |
| 1185 | L | 60.9 | Low | 63.2 | Low | 50 Ų | 50 | 72.6 Ų | 72.6 | 26% | 0.262 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -105.3 | -26.5 | -176.3 | -79.4 | 157 | 0 | 0 | 0 | 115.4 | E1181 E1187 | E1181-L1185 HydrophobicContact CG-CD1 3.68Å; E1181-L1185 WeakPolarHBondContact O-CB 3.35Å; E1181-L1185 PolarHBondContact O-N 2.87Å; L1185-E1187 PolarHBondContact O-N 3.3Å |
| 1186 | I | 57.4 | Low | 62.3 | Low | 111 Ų | 111 | 72.3 Ų | 72.3 | 57% | 0.569 | 42% | 0.419 | S | S | * | . | trans | -82.8 | 89.5 | -178.2 | -53.9 | -167.4 | 0 | 0 | 0 | 110.4 | N1182 | N1182-I1186 PolarHBondContact O-N 3.48Å; N1182-I1186 WeakPolarHBondContact OD1-CD1 3.42Å | ||
| 1187 | E | 53.4 | Low | 61.8 | Low | 92 Ų | 92 | 71.6 Ų | 71.6 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | trans | -86.8 | 128.8 | 163.4 | -68.7 | -159.6 | 121.5 | 0 | 0 | 111 | K1067 L1185 G1189 | K1067-E1187 VanDerWaalsContact CE-CD 3.48Å; K1067-E1187 WeakPolarHBondContact CE-OE1 3.42Å; K1067-E1187 VanDerWaalsContact CE-OE2 3.23Å; K1067-E1187 WeakPolarHBondContact CE-OE2 3.49Å; K1067-E1187 IonicContact NZ-OE1 3.81Å; K1067-E1187 PolarHBondContact NZ-OE1 3.37Å; K1067-E1187 IonicContact NZ-OE2 2.91Å; K1067-E1187 PolarHBondContact NZ-OE2 3.48Å; L1185-E1187 PolarHBondContact O-N 3.3Å; E1187-G1189 PolarHBondContact O-N 3.43Å | ||
| 1188 | P | 49 | Very low | 61.6 | Low | 143 Ų | 143 | 71.6 Ų | 71.6 | 93% | 0.929 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 36.4 | -174.9 | 34.5 | -38.3 | 0 | 0 | 0 | 113.7 | ||
| 1189 | G | 47 | Very low | 61.4 | Low | 68 Ų | 68 | 72.4 Ų | 72.4 | 70% | 0.701 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.9 | -11.5 | -169 | 0 | 0 | 0 | 0 | 0 | 118.5 | E1187 | E1187-G1189 PolarHBondContact O-N 3.43Š|
| 1190 | N | 46.9 | Very low | 61.2 | Low | 129 Ų | 129 | 72.8 Ų | 72.8 | 69% | 0.69 | 43% | 0.427 | S | S | * | . | trans | -112.1 | 129.2 | -179.9 | -88.5 | -47.3 | 0 | 0 | 0 | 111.9 | N1192 | N1190-N1192 VanDerWaalsContact C-N 3.32Å; N1190-N1192 PolarHBondContact O-N 2.85Å | ||
| 1191 | S | 43.3 | Very low | 61.3 | Low | 116 Ų | 116 | 72.7 Ų | 72.7 | 81% | 0.811 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -79.4 | -2.5 | -167.5 | 49.6 | 0 | 0 | 0 | 0 | 116.1 | P1193 | S1191-P1193 WeakPolarHBondContact O-CD 3.24Š|
| 1192 | N | 49.6 | Very low | 61.4 | Low | 135 Ų | 135 | 72.8 Ų | 72.8 | 72% | 0.722 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -105.2 | 103.9 | 173.8 | -73.7 | -17.4 | 0 | 0 | 0 | 109.4 | N1190 I1194 | N1190-N1192 VanDerWaalsContact C-N 3.32Å; N1190-N1192 PolarHBondContact O-N 2.85Å; N1192-I1194 PolarHBondContact O-N 3.11Å; N1192-I1194 VanDerWaalsContact O-N 3.1Å |
| 1193 | P | 50.3 | Low | 61.6 | Low | 118 Ų | 118 | 74.5 Ų | 74.5 | 77% | 0.766 | 44% | 0.435 | S | S | * | . | trans | -69.9 | 108.4 | 178.3 | 28 | -33.3 | 0 | 0 | 0 | 110.3 | S1191 T1195 | S1191-P1193 WeakPolarHBondContact O-CD 3.24Å; P1193-T1195 PolarHBondContact O-N 3.18Å; P1193-T1195 VanDerWaalsContact O-N 3.12Å | ||
| 1194 | I | 55.6 | Low | 61.7 | Low | 131 Ų | 131 | 73.7 Ų | 73.7 | 67% | 0.672 | 44% | 0.443 | S | S | * | . | trans | -69.7 | 106.5 | 168.5 | -60 | 176.2 | 0 | 0 | 0 | 107 | N1192 | N1192-I1194 PolarHBondContact O-N 3.11Å; N1192-I1194 VanDerWaalsContact O-N 3.1Å | ||
| 1195 | T | 59.3 | Low | 61.9 | Low | 101 Ų | 101 | 73.9 Ų | 73.9 | 62% | 0.62 | 44% | 0.442 | S | S | * | . | trans | -59.7 | 124.7 | 179.6 | 46.8 | 0 | 0 | 0 | 0 | 110.6 | P1193 | P1193-T1195 PolarHBondContact O-N 3.18Å; P1193-T1195 VanDerWaalsContact O-N 3.12Å | ||
| 1196 | P | 66.4 | Low | 62.1 | Low | 39 Ų | 39 | 74.6 Ų | 74.6 | 25% | 0.253 | 45% | 0.451 | S | S | . | . | trans | -61.3 | 125.4 | -178.2 | 2.3 | -5.1 | 0 | 0 | 0 | 111.6 | E1181 L1198 L1199 T1200 | E1181-P1196 HydrophobicContact CG-CB 3.81Å; E1181-P1196 WeakPolarHBondContact OE1-CB 3.01Å; E1181-P1196 VanDerWaalsContact OE2-CB 3.24Å; E1181-P1196 WeakPolarHBondContact OE2-CB 3.42Å; P1196-L1198 PolarHBondContact O-N 3.43Å; P1196-L1199 HydrophobicContact CB-CB 4.02Å; P1196-L1199 HydrophobicContact CG-CB 3.95Å; P1196-L1199 HydrophobicContact CG-CD2 3.97Å; P1196-L1199 PolarHBondContact O-N 2.82Å; P1196-T1200 WeakPolarHBondContact O-CB 3.44Å; P1196-T1200 PolarHBondContact O-N 3.17Å; P1196-T1200 PolarHBondContact O-OG1 2.87Å | ||
| 1197 | P | 69.2 | Low | 62.3 | Low | 35 Ų | 35 | 69.4 Ų | 69.4 | 23% | 0.227 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.6 | -40.5 | -176 | 21.1 | -32.8 | 0 | 0 | 0 | 113.7 | L1107 L1113 E1181 T1200 S1201 | L1107-P1197 HydrophobicContact CB-CG 4.43Å; L1107-P1197 HydrophobicContact CD2-CG 4.37Å; L1113-P1197 HydrophobicContact CD1-CB 4.46Å; E1181-P1197 WeakPolarHBondContact OE1-CD 3.34Å; E1181-P1197 WeakPolarHBondContact OE1-CG 3.33Å; E1181-P1197 VanDerWaalsContact OE1-N 3.13Å; P1197-T1200 WeakPolarHBondContact O-CB 3.2Å; P1197-T1200 PolarHBondContact O-N 3.34Å; P1197-S1201 PolarHBondContact O-N 2.89Å |
| 1198 | L | 75.1 | Confident | 62.8 | Low | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -68.8 | -43.3 | 180 | 174.1 | 57.7 | 0 | 0 | 0 | 111.5 | L1113 I1117 V1174 L1177 L1178 E1181 P1196 T1200 S1201 I1202 | L1113-L1198 HydrophobicContact CB-CD1 4.38Å; L1113-L1198 HydrophobicContact CD1-CB 4.29Å; L1113-L1198 HydrophobicContact CD2-CD1 4.32Å; I1117-L1198 HydrophobicContact CD1-CD1 4.14Å; V1174-L1198 HydrophobicContact CG1-CD2 4.43Å; L1177-L1198 HydrophobicContact CB-CD2 3.58Å; L1177-L1198 HydrophobicContact CD1-CD2 4.49Å; L1178-L1198 HydrophobicContact CD2-CB 4.41Å; L1178-L1198 HydrophobicContact CD2-CD2 3.99Å; L1178-L1198 HydrophobicContact CD2-CG 3.91Å; L1178-L1198 HydrophobicContact CG-CD2 3.87Å; L1178-L1198 HydrophobicContact CG-CG 4.25Å; E1181-L1198 PolarHBondContact OE1-N 3.47Å; P1196-L1198 PolarHBondContact O-N 3.43Å; L1198-T1200 PolarHBondContact O-N 3.01Å; L1198-S1201 PolarHBondContact O-N 3.2Å; L1198-I1202 HydrophobicContact CD1-CD1 4.01Å; L1198-I1202 HydrophobicContact CD1-CG1 4.28Å; L1198-I1202 HydrophobicContact CG-CD1 4.05Å; L1198-I1202 WeakPolarHBondContact O-CG1 3.46Å; L1198-I1202 PolarHBondContact O-N 3.09Å |
| 1199 | L | 74.1 | Confident | 63.2 | Low | 16 Ų | 16 | 65.4 Ų | 65.4 | 8% | 0.084 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.7 | -37.4 | 172 | -175.3 | 65.2 | 0 | 0 | 0 | 111.9 | L1178 P1196 I1202 Q1203 | L1178-L1199 HydrophobicContact CD2-CB 4.39Å; P1196-L1199 HydrophobicContact CB-CB 4.02Å; P1196-L1199 HydrophobicContact CG-CB 3.95Å; P1196-L1199 HydrophobicContact CG-CD2 3.97Å; P1196-L1199 PolarHBondContact O-N 2.82Å; L1199-I1202 PolarHBondContact O-N 3.35Å; L1199-Q1203 WeakPolarHBondContact O-CG 3.32Å; L1199-Q1203 PolarHBondContact O-N 2.94Å |
| 1200 | T | 75.1 | Confident | 63.8 | Low | 52 Ų | 52 | 64.9 Ų | 64.9 | 32% | 0.319 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.9 | -42.9 | 178 | -52 | 0 | 0 | 0 | 0 | 111.6 | P1196 P1197 L1198 I1202 Q1203 C1204 | P1196-T1200 WeakPolarHBondContact O-CB 3.44Å; P1196-T1200 PolarHBondContact O-N 3.17Å; P1196-T1200 PolarHBondContact O-OG1 2.87Å; P1197-T1200 WeakPolarHBondContact O-CB 3.2Å; P1197-T1200 PolarHBondContact O-N 3.34Å; L1198-T1200 PolarHBondContact O-N 3.01Å; T1200-I1202 VanDerWaalsContact C-N 3.34Å; T1200-I1202 PolarHBondContact O-N 3.2Å; T1200-Q1203 PolarHBondContact O-N 3.35Å; T1200-C1204 PolarHBondContact O-N 3.14Å; T1200-C1204 PolarHBondContact O-SG 3.07Å |
| 1201 | S | 73.6 | Confident | 64.7 | Low | 16 Ų | 16 | 61.3 Ų | 61.3 | 11% | 0.112 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.5 | -43 | 171.5 | -81.2 | 0 | 0 | 0 | 0 | 111.9 | N1114 P1197 L1198 Q1203 C1204 Y1205 | N1114-S1201 PolarHBondContact OD1-OG 2.88Å; P1197-S1201 PolarHBondContact O-N 2.89Å; L1198-S1201 PolarHBondContact O-N 3.2Å; S1201-Q1203 VanDerWaalsContact C-N 3.33Å; S1201-Q1203 PolarHBondContact O-N 2.95Å; S1201-C1204 PolarHBondContact O-N 3.36Å; S1201-Y1205 WeakPolarHBondContact O-CB 3.3Å; S1201-Y1205 PolarHBondContact O-N 3.34Å |
| 1202 | I | 75.8 | Confident | 65.8 | Low | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.015 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.8 | -35.2 | 178.2 | -71.3 | 167.6 | 0 | 0 | 0 | 112.3 | I1117 V1174 L1178 L1198 L1199 T1200 C1204 H1213 Y1214 | I1117-I1202 HydrophobicContact CD1-CG1 3.89Å; I1117-I1202 HydrophobicContact CG1-CG1 4.31Å; V1174-I1202 HydrophobicContact CG1-CD1 3.75Å; L1178-I1202 HydrophobicContact CD1-CD1 3.92Å; L1178-I1202 HydrophobicContact CD2-CD1 4.17Å; L1178-I1202 HydrophobicContact CG-CD1 4.37Å; L1198-I1202 HydrophobicContact CD1-CD1 4.01Å; L1198-I1202 HydrophobicContact CD1-CG1 4.28Å; L1198-I1202 HydrophobicContact CG-CD1 4.05Å; L1198-I1202 WeakPolarHBondContact O-CG1 3.46Å; L1198-I1202 PolarHBondContact O-N 3.09Å; L1199-I1202 PolarHBondContact O-N 3.35Å; T1200-I1202 VanDerWaalsContact C-N 3.34Å; T1200-I1202 PolarHBondContact O-N 3.2Å; I1202-C1204 VanDerWaalsContact C-N 3.34Å; I1202-H1213 PolarHBondContact O-CE1 3.22Å; I1202-H1213 PolarHBondContact O-NE2 3.34Å; I1202-H1213 VanDerWaalsContact O-NE2 3.11Å; I1202-Y1214 HydrophobicContact CG1-CE1 4.47Å; I1202-Y1214 HydrophobicContact CG2-CD1 3.86Å; I1202-Y1214 HydrophobicContact CG2-CE1 4.3Å |
| 1203 | Q | 74.9 | Confident | 67.3 | Low | 67 Ų | 67 | 52.5 Ų | 52.5 | 31% | 0.313 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71.2 | -28 | 175.6 | -73.2 | 172.4 | 15.4 | 0 | 0 | 113.1 | L1199 T1200 S1201 H1213 V1247 | L1199-Q1203 WeakPolarHBondContact O-CG 3.32Å; L1199-Q1203 PolarHBondContact O-N 2.94Å; T1200-Q1203 PolarHBondContact O-N 3.35Å; S1201-Q1203 VanDerWaalsContact C-N 3.33Å; S1201-Q1203 PolarHBondContact O-N 2.95Å; Q1203-H1213 VanDerWaalsContact CA-NE2 3.26Å; Q1203-H1213 WeakPolarHBondContact CA-NE2 3.48Å; Q1203-H1213 PolarHBondContact O-NE2 3.42Å; Q1203-V1247 HydrophobicContact CG-CG2 4.16Å; Q1203-V1247 VanDerWaalsContact NE2-CG2 3.31Å |
| 1204 | C | 72.9 | Confident | 68.7 | Low | 100 Ų | 100 | 46.9 Ų | 46.9 | 68% | 0.676 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -98.1 | -14 | -175.9 | -68.7 | 0 | 0 | 0 | 0 | 114.6 | T1200 S1201 I1202 S1206 H1213 | T1200-C1204 PolarHBondContact O-N 3.14Å; T1200-C1204 PolarHBondContact O-SG 3.07Å; S1201-C1204 PolarHBondContact O-N 3.36Å; I1202-C1204 VanDerWaalsContact C-N 3.34Å; C1204-S1206 PolarHBondContact O-N 3.22Å; C1204-H1213 PolarHBondContact N-NE2 3.14Å |
| 1205 | Y | 69.7 | Low | 69.8 | Low | 29 Ų | 29 | 40.8 Ų | 40.8 | 11% | 0.114 | 26% | 0.255 | C | S | . | . | trans | -84 | 116.7 | -173.9 | -174 | -83.9 | 0 | 0 | 0 | 113.2 | D1006 I1117 S1121 S1201 N1207 H1213 Y1214 | D1006-Y1205 PolarHBondContact OD2-OH 3Å; I1117-Y1205 HydrophobicContact CG2-CD1 3.47Å; I1117-Y1205 VanDerWaalsContact CG2-CD1 3.47Å; I1117-Y1205 HydrophobicContact CG2-CD2 3.72Å; I1117-Y1205 HydrophobicContact CG2-CE1 3.9Å; I1117-Y1205 HydrophobicContact CG2-CE2 4.15Å; I1117-Y1205 HydrophobicContact CG2-CG 3.37Å; S1121-Y1205 VanDerWaalsContact OG-CE1 3.29Å; S1121-Y1205 WeakPolarHBondContact OG-CE1 3.43Å; S1121-Y1205 PolarHBondContact OG-OH 3.17Å; S1201-Y1205 WeakPolarHBondContact O-CB 3.3Å; S1201-Y1205 PolarHBondContact O-N 3.34Å; Y1205-N1207 HydrophobicContact CE1-CB 4.18Å; Y1205-H1213 PolarHBondContact O-CD2 2.91Å; Y1205-H1213 VanDerWaalsContact O-CD2 3.31Å; Y1205-Y1214 HydrophobicContact CD1-CD2 4.32Å; Y1205-Y1214 PolarHBondContact O-N 2.96Å | ||
| 1206 | S | 65.5 | Low | 70.6 | Confident | 65 Ų | 65 | 36 Ų | 36 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | B | Isolated β-bridge | trans | -104.7 | 135.5 | 159.7 | 53.7 | 0 | 0 | 0 | 0 | 109.7 | C1204 S1208 D1212 | C1204-S1206 PolarHBondContact O-N 3.22Å; S1206-S1208 PolarHBondContact O-N 3.4Å; S1206-D1212 CarbonylContact C-O 3.59Å; S1206-D1212 VanDerWaalsContact CA-O 3.29Å; S1206-D1212 WeakPolarHBondContact CA-O 3.16Å |
| 1207 | N | 62.3 | Low | 71.1 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | trans | -63.9 | 128.6 | 174.6 | -178.1 | -63.9 | 0 | 0 | 0 | 109.3 | S1121 Y1205 F1209 G1211 D1212 | S1121-N1207 PolarHBondContact O-ND2 2.86Å; Y1205-N1207 HydrophobicContact CE1-CB 4.18Å; N1207-F1209 VanDerWaalsContact C-N 3.28Å; N1207-F1209 PolarHBondContact O-N 3.32Å; N1207-F1209 VanDerWaalsContact OD1-CB 3.27Å; N1207-F1209 WeakPolarHBondContact OD1-CB 3.48Å; N1207-F1209 PolarHBondContact OD1-N 3.48Å; N1207-G1211 VanDerWaalsContact O-CA 3.31Å; N1207-G1211 WeakPolarHBondContact O-CA 3.34Å; N1207-G1211 PolarHBondContact O-N 2.77Å; N1207-D1212 PolarHBondContact N-O 2.93Å | ||
| 1208 | S | 62.7 | Low | 71.6 | Confident | 90 Ų | 90 | 32.6 Ų | 32.6 | 63% | 0.629 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -17 | -172.5 | 65.2 | 0 | 0 | 0 | 0 | 114.3 | D1006 S1206 | D1006-S1208 WeakPolarHBondContact CB-OG 3.24Å; D1006-S1208 VanDerWaalsContact CG-OG 3.31Å; D1006-S1208 PolarHBondContact OD2-N 3.47Å; D1006-S1208 PolarHBondContact OD2-OG 3.16Å; S1206-S1208 PolarHBondContact O-N 3.4Å |
| 1209 | F | 56.8 | Low | 71.6 | Confident | 60 Ų | 60 | 32.8 Ų | 32.8 | 26% | 0.263 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -38.7 | -179.4 | 173.4 | -115.9 | 0 | 0 | 0 | 113.7 | E1010 S1013 H1123 N1207 | E1010-F1209 HydrophobicContact CB-CD2 4.12Å; E1010-F1209 HydrophobicContact CG-CD2 4.24Å; S1013-F1209 WeakPolarHBondContact OG-CE2 3.27Å; S1013-F1209 WeakPolarHBondContact OG-CZ 3.4Å; H1123-F1209 HydrophobicContact CB-CD1 4.28Å; N1207-F1209 VanDerWaalsContact C-N 3.28Å; N1207-F1209 PolarHBondContact O-N 3.32Å; N1207-F1209 VanDerWaalsContact OD1-CB 3.27Å; N1207-F1209 WeakPolarHBondContact OD1-CB 3.48Å; N1207-F1209 PolarHBondContact OD1-N 3.48Å |
| 1210 | T | 61.1 | Low | 71.7 | Confident | 57 Ų | 57 | 32.8 Ų | 32.8 | 35% | 0.35 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -19.7 | 178.8 | 63.2 | 0 | 0 | 0 | 0 | 114.2 | D1212 | T1210-D1212 WeakPolarHBondContact CB-OD2 3.47Å; T1210-D1212 WeakPolarHBondContact OG1-CB 3.49Å; T1210-D1212 VanDerWaalsContact OG1-CG 3.26Å; T1210-D1212 PolarHBondContact OG1-N 3.42Å; T1210-D1212 PolarHBondContact OG1-OD2 3.39Å |
| 1211 | G | 64.9 | Low | 71.7 | Confident | 54 Ų | 54 | 30.3 Ų | 30.3 | 56% | 0.557 | 19% | 0.188 | S | C | * | . | trans | 79.7 | -1.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1207 | N1207-G1211 VanDerWaalsContact O-CA 3.31Å; N1207-G1211 WeakPolarHBondContact O-CA 3.34Å; N1207-G1211 PolarHBondContact O-N 2.77Å | ||
| 1212 | D | 67.7 | Low | 71.6 | Confident | 38 Ų | 38 | 29.6 Ų | 29.6 | 20% | 0.203 | 18% | 0.184 | C | C | . | . | trans | -67 | 142.8 | 177.7 | -68.1 | -57 | 0 | 0 | 0 | 111.6 | S1206 N1207 T1210 | S1206-D1212 CarbonylContact C-O 3.59Å; S1206-D1212 VanDerWaalsContact CA-O 3.29Å; S1206-D1212 WeakPolarHBondContact CA-O 3.16Å; N1207-D1212 PolarHBondContact N-O 2.93Å; T1210-D1212 WeakPolarHBondContact CB-OD2 3.47Å; T1210-D1212 WeakPolarHBondContact OG1-CB 3.49Å; T1210-D1212 VanDerWaalsContact OG1-CG 3.26Å; T1210-D1212 PolarHBondContact OG1-N 3.42Å; T1210-D1212 PolarHBondContact OG1-OD2 3.39Å | ||
| 1213 | H | 79.8 | Confident | 71.1 | Confident | 28 Ų | 28 | 34.1 Ų | 34.1 | 13% | 0.13 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -68.8 | 148.2 | 170.2 | -167.9 | -96.2 | 0 | 0 | 0 | 111.3 | I1202 Q1203 C1204 Y1205 I1215 T1216 T1217 Y1252 | I1202-H1213 PolarHBondContact O-CE1 3.22Å; I1202-H1213 PolarHBondContact O-NE2 3.34Å; I1202-H1213 VanDerWaalsContact O-NE2 3.11Å; Q1203-H1213 VanDerWaalsContact CA-NE2 3.26Å; Q1203-H1213 WeakPolarHBondContact CA-NE2 3.48Å; Q1203-H1213 PolarHBondContact O-NE2 3.42Å; C1204-H1213 PolarHBondContact N-NE2 3.14Å; Y1205-H1213 PolarHBondContact O-CD2 2.91Å; Y1205-H1213 VanDerWaalsContact O-CD2 3.31Å; H1213-I1215 WeakPolarHBondContact CE1-CD1 3.27Å; H1213-I1215 WeakPolarHBondContact CE1-CG1 3.21Å; H1213-I1215 PolarHBondContact ND1-N 3.3Å; H1213-I1215 PolarHBondContact O-N 3.38Å; H1213-T1216 WeakPolarHBondContact O-CB 3.4Å; H1213-T1216 PolarHBondContact O-N 3.33Å; H1213-T1217 PolarHBondContact O-N 2.76Å; H1213-Y1252 HydrophobicContact CB-CD1 4.24Å; H1213-Y1252 AromaticContact CD2-CD1 3.61Å; H1213-Y1252 AromaticContact CE1-CD1 3.93Å; H1213-Y1252 AromaticContact CE1-CE1 3.98Å; H1213-Y1252 AromaticContact CG-CD1 3.48Å; H1213-Y1252 VanDerWaalsContact CG-CD1 3.48Å; H1213-Y1252 AromaticContact ND1-CD1 3.42Å; H1213-Y1252 WeakPolarHBondContact ND1-CD1 3.3Å; H1213-Y1252 AromaticContact ND1-CG 3.85Å; H1213-Y1252 AromaticContact NE2-CE1 3.78Å |
| 1214 | Y | 79 | Confident | 70.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -45.2 | -42.8 | 178.5 | -175.8 | -108.4 | 0 | 0 | 0 | 113.6 | I1117 S1120 I1202 Y1205 T1216 T1217 L1218 L1237 | I1117-Y1214 HydrophobicContact CG2-CD2 3.6Å; I1117-Y1214 HydrophobicContact CG2-CE2 3.8Å; I1117-Y1214 HydrophobicContact CG2-CG 4.27Å; S1120-Y1214 VanDerWaalsContact OG-CE2 3.26Å; S1120-Y1214 WeakPolarHBondContact OG-CE2 3.31Å; S1120-Y1214 PolarHBondContact OG-OH 3.38Å; I1202-Y1214 HydrophobicContact CG1-CE1 4.47Å; I1202-Y1214 HydrophobicContact CG2-CD1 3.86Å; I1202-Y1214 HydrophobicContact CG2-CE1 4.3Å; Y1205-Y1214 HydrophobicContact CD1-CD2 4.32Å; Y1205-Y1214 PolarHBondContact O-N 2.96Å; Y1214-T1216 VanDerWaalsContact C-N 3.31Å; Y1214-T1216 PolarHBondContact O-N 2.93Å; Y1214-T1217 PolarHBondContact O-N 3.45Å; Y1214-L1218 HydrophobicContact CD1-CD1 3.97Å; Y1214-L1218 HydrophobicContact CD1-CG 4.31Å; Y1214-L1218 HydrophobicContact CE1-CD1 3.71Å; Y1214-L1218 HydrophobicContact CE1-CD2 4.19Å; Y1214-L1218 HydrophobicContact CE1-CG 4.04Å; Y1214-L1218 PolarHBondContact O-N 3.46Å; Y1214-L1218 VanDerWaalsContact O-N 3.12Å; Y1214-L1237 HydrophobicContact CE1-CD2 4.48Å |
| 1215 | I | 79.9 | Confident | 69.9 | Low | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.6 | -39.1 | -180 | -68.3 | 173.1 | 0 | 0 | 0 | 111.5 | H1213 L1218 F1219 I1249 Y1252 | H1213-I1215 WeakPolarHBondContact CE1-CD1 3.27Å; H1213-I1215 WeakPolarHBondContact CE1-CG1 3.21Å; H1213-I1215 PolarHBondContact ND1-N 3.3Å; H1213-I1215 PolarHBondContact O-N 3.38Å; I1215-L1218 WeakPolarHBondContact O-CB 3.23Å; I1215-L1218 PolarHBondContact O-N 2.94Å; I1215-F1219 HydrophobicContact CG2-CD2 4.22Å; I1215-F1219 HydrophobicContact CG2-CE2 3.94Å; I1215-F1219 VanDerWaalsContact O-CD2 3.23Å; I1215-F1219 WeakPolarHBondContact O-CD2 3.34Å; I1215-F1219 PolarHBondContact O-N 2.73Å; I1215-I1249 HydrophobicContact CG2-CG2 3.79Å; I1215-Y1252 HydrophobicContact CD1-CD1 4.49Å; I1215-Y1252 HydrophobicContact CD1-CD2 3.92Å; I1215-Y1252 HydrophobicContact CD1-CE2 4.33Å; I1215-Y1252 HydrophobicContact CD1-CG 4.02Å |
| 1216 | T | 76.1 | Confident | 69.1 | Low | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.3 | -39.5 | 179.1 | -53.6 | 0 | 0 | 0 | 0 | 111.1 | H1213 Y1214 L1218 F1219 F1220 Y1252 L1253 | H1213-T1216 WeakPolarHBondContact O-CB 3.4Å; H1213-T1216 PolarHBondContact O-N 3.33Å; Y1214-T1216 VanDerWaalsContact C-N 3.31Å; Y1214-T1216 PolarHBondContact O-N 2.93Å; T1216-L1218 VanDerWaalsContact C-N 3.33Å; T1216-L1218 PolarHBondContact O-N 3.38Å; T1216-F1219 PolarHBondContact O-N 2.64Å; T1216-F1219 VanDerWaalsContact O-N 3.12Å; T1216-F1220 HydrophobicContact CG2-CD2 4.45Å; T1216-F1220 HydrophobicContact CG2-CE2 3.81Å; T1216-F1220 HydrophobicContact CG2-CZ 3.97Å; T1216-F1220 PolarHBondContact O-N 3.35Å; T1216-Y1252 PolarHBondContact OG1-O 2.69Å; T1216-L1253 HydrophobicContact CG2-CD2 4.48Å |
| 1217 | T | 75.8 | Confident | 69 | Low | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 173.6 | -47.5 | 0 | 0 | 0 | 0 | 112.4 | S1121 H1213 Y1214 F1219 F1220 Y1221 | S1121-T1217 WeakPolarHBondContact O-CG2 3.49Å; H1213-T1217 PolarHBondContact O-N 2.76Å; Y1214-T1217 PolarHBondContact O-N 3.45Å; T1217-F1219 VanDerWaalsContact C-N 3.33Å; T1217-F1219 PolarHBondContact O-N 3.47Å; T1217-F1220 PolarHBondContact O-N 3.22Å; T1217-F1220 VanDerWaalsContact O-N 3.13Å; T1217-Y1221 HydrophobicContact CG2-CE1 4.36Å; T1217-Y1221 HydrophobicContact CG2-CE2 4.5Å; T1217-Y1221 PolarHBondContact O-N 3.21Å |
| 1218 | L | 80.2 | Confident | 69 | Low | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.2 | -44.1 | 172.3 | -66.8 | 175.3 | 0 | 0 | 0 | 111.5 | L1171 Y1214 I1215 T1216 F1220 Y1221 L1222 V1234 L1237 L1238 | L1171-L1218 HydrophobicContact CD2-CD2 3.65Å; Y1214-L1218 HydrophobicContact CD1-CD1 3.97Å; Y1214-L1218 HydrophobicContact CD1-CG 4.31Å; Y1214-L1218 HydrophobicContact CE1-CD1 3.71Å; Y1214-L1218 HydrophobicContact CE1-CD2 4.19Å; Y1214-L1218 HydrophobicContact CE1-CG 4.04Å; Y1214-L1218 PolarHBondContact O-N 3.46Å; Y1214-L1218 VanDerWaalsContact O-N 3.12Å; I1215-L1218 WeakPolarHBondContact O-CB 3.23Å; I1215-L1218 PolarHBondContact O-N 2.94Å; T1216-L1218 VanDerWaalsContact C-N 3.33Å; T1216-L1218 PolarHBondContact O-N 3.38Å; L1218-F1220 VanDerWaalsContact C-N 3.33Å; L1218-F1220 PolarHBondContact O-N 2.92Å; L1218-Y1221 HydrophobicContact CD2-CD2 4.31Å; L1218-Y1221 HydrophobicContact CD2-CE2 4.47Å; L1218-Y1221 WeakPolarHBondContact O-CB 3.15Å; L1218-Y1221 PolarHBondContact O-N 3.09Å; L1218-L1222 PolarHBondContact O-N 2.9Å; L1218-V1234 HydrophobicContact CB-CG1 4.11Å; L1218-V1234 HydrophobicContact CD2-CG2 4.22Å; L1218-V1234 VanDerWaalsContact O-CG1 3.26Å; L1218-V1234 WeakPolarHBondContact O-CG1 3.36Å; L1218-L1237 HydrophobicContact CD1-CD2 3.4Å; L1218-L1237 HydrophobicContact CD2-CD2 4.24Å; L1218-L1237 HydrophobicContact CG-CD2 4.48Å; L1218-L1238 HydrophobicContact CB-CD2 4.33Å; L1218-L1238 HydrophobicContact CD1-CD2 4.04Å |
| 1219 | F | 76.5 | Confident | 69.1 | Low | 3 Ų | 3 | 27.6 Ų | 27.6 | 1% | 0.013 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66 | -31.9 | 175.2 | -77.2 | -78.3 | 0 | 0 | 0 | 113.2 | I1215 T1216 T1217 Y1221 L1222 L1238 I1249 L1253 V1260 L1306 | I1215-F1219 HydrophobicContact CG2-CD2 4.22Å; I1215-F1219 HydrophobicContact CG2-CE2 3.94Å; I1215-F1219 VanDerWaalsContact O-CD2 3.23Å; I1215-F1219 WeakPolarHBondContact O-CD2 3.34Å; I1215-F1219 PolarHBondContact O-N 2.73Å; T1216-F1219 PolarHBondContact O-N 2.64Å; T1216-F1219 VanDerWaalsContact O-N 3.12Å; T1217-F1219 VanDerWaalsContact C-N 3.33Å; T1217-F1219 PolarHBondContact O-N 3.47Å; F1219-Y1221 VanDerWaalsContact C-N 3.34Å; F1219-L1222 HydrophobicContact CD1-CD1 3.74Å; F1219-L1222 HydrophobicContact CE1-CD1 4.23Å; F1219-L1222 WeakPolarHBondContact O-CB 3.34Å; F1219-L1222 PolarHBondContact O-N 3.17Å; F1219-L1222 VanDerWaalsContact O-N 3.12Å; F1219-L1238 HydrophobicContact CD1-CD1 4.32Å; F1219-L1238 HydrophobicContact CD2-CD2 4.49Å; F1219-L1238 HydrophobicContact CE1-CD1 3.95Å; F1219-L1238 HydrophobicContact CE2-CD1 4.29Å; F1219-L1238 HydrophobicContact CE2-CD2 3.85Å; F1219-L1238 HydrophobicContact CZ-CD1 3.93Å; F1219-L1238 HydrophobicContact CZ-CD2 4.06Å; F1219-I1249 HydrophobicContact CE2-CG2 3.47Å; F1219-I1249 VanDerWaalsContact CE2-CG2 3.47Å; F1219-I1249 HydrophobicContact CZ-CG2 3.75Å; F1219-L1253 HydrophobicContact CD2-CD2 3.61Å; F1219-L1253 HydrophobicContact CE2-CD2 4.05Å; F1219-L1253 HydrophobicContact CG-CD2 4.28Å; F1219-V1260 HydrophobicContact CB-CB 4.42Å; F1219-V1260 HydrophobicContact CB-CG1 3.78Å; F1219-V1260 HydrophobicContact CB-CG2 3.73Å; F1219-V1260 HydrophobicContact CD1-CG1 3.33Å; F1219-V1260 HydrophobicContact CD2-CG1 4.39Å; F1219-V1260 HydrophobicContact CE1-CG1 3.99Å; F1219-V1260 HydrophobicContact CG-CG1 3.58Å; F1219-V1260 HydrophobicContact CG-CG2 4.35Å; F1219-L1306 HydrophobicContact CE1-CD1 4.38Å; F1219-L1306 HydrophobicContact CZ-CD1 4.24Å |
| 1220 | F | 75.5 | Confident | 70 | Confident | 16 Ų | 16 | 24.7 Ų | 24.7 | 7% | 0.07 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66 | -33.9 | 171.6 | -65.8 | -41.7 | 0 | 0 | 0 | 112.8 | Q1124 T1216 T1217 L1218 L1222 R1223 E1256 | Q1124-F1220 HydrophobicContact CB-CB 4.25Å; Q1124-F1220 VanDerWaalsContact CD-O 3.25Å; Q1124-F1220 PolarHBondContact OE1-O 2.9Å; T1216-F1220 HydrophobicContact CG2-CD2 4.45Å; T1216-F1220 HydrophobicContact CG2-CE2 3.81Å; T1216-F1220 HydrophobicContact CG2-CZ 3.97Å; T1216-F1220 PolarHBondContact O-N 3.35Å; T1217-F1220 PolarHBondContact O-N 3.22Å; T1217-F1220 VanDerWaalsContact O-N 3.13Å; L1218-F1220 VanDerWaalsContact C-N 3.33Å; L1218-F1220 PolarHBondContact O-N 2.92Å; F1220-L1222 PolarHBondContact O-N 3.02Å; F1220-R1223 WeakPolarHBondContact O-CA 3.29Å; F1220-R1223 VanDerWaalsContact O-CB 3.3Å; F1220-R1223 WeakPolarHBondContact O-CB 3.26Å; F1220-R1223 PolarHBondContact O-N 3.29Å; F1220-E1256 HydrophobicContact CE1-CB 4.38Å; F1220-E1256 HydrophobicContact CZ-CB 4.08Å; F1220-E1256 HydrophobicContact CZ-CG 4.09Å |
| 1221 | Y | 75.6 | Confident | 70.7 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.9 | -22.8 | 170.8 | -63.1 | -32.7 | 0 | 0 | 0 | 113.8 | S1120 S1121 I1122 L1127 V1167 L1171 T1217 L1218 F1219 R1223 Y1224 I1230 V1234 | S1120-Y1221 VanDerWaalsContact C-OH 3.28Å; S1120-Y1221 WeakPolarHBondContact O-CE2 3.33Å; S1120-Y1221 PolarHBondContact O-OH 3.36Å; S1121-Y1221 WeakPolarHBondContact CA-OH 3.31Å; I1122-Y1221 PolarHBondContact N-OH 3.04Å; I1122-Y1221 WeakPolarHBondContact O-CE1 3.42Å; I1122-Y1221 PolarHBondContact O-OH 3.34Å; L1127-Y1221 HydrophobicContact CD1-CD1 4.3Å; L1127-Y1221 HydrophobicContact CD1-CE1 3.69Å; V1167-Y1221 HydrophobicContact CG1-CE2 4.32Å; L1171-Y1221 HydrophobicContact CD1-CD2 4.21Å; L1171-Y1221 HydrophobicContact CD1-CE2 4.05Å; L1171-Y1221 HydrophobicContact CD2-CE2 4.48Å; T1217-Y1221 HydrophobicContact CG2-CE1 4.36Å; T1217-Y1221 HydrophobicContact CG2-CE2 4.5Å; T1217-Y1221 PolarHBondContact O-N 3.21Å; L1218-Y1221 HydrophobicContact CD2-CD2 4.31Å; L1218-Y1221 HydrophobicContact CD2-CE2 4.47Å; L1218-Y1221 WeakPolarHBondContact O-CB 3.15Å; L1218-Y1221 PolarHBondContact O-N 3.09Å; F1219-Y1221 VanDerWaalsContact C-N 3.34Å; Y1221-R1223 PolarHBondContact O-N 3.34Å; Y1221-Y1224 VanDerWaalsContact O-CB 3.24Å; Y1221-Y1224 WeakPolarHBondContact O-CB 3.47Å; Y1221-Y1224 PolarHBondContact O-N 3.49Å; Y1221-I1230 HydrophobicContact CD2-CG2 4.24Å; Y1221-I1230 HydrophobicContact CG-CG2 4.09Å; Y1221-V1234 HydrophobicContact CD2-CG2 3.82Å; Y1221-V1234 HydrophobicContact CG-CG2 4.39Å |
| 1222 | L | 70.6 | Confident | 71.2 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.4 | 169.6 | -58.5 | -177 | 0 | 0 | 0 | 112 | L1218 F1219 F1220 Y1224 V1234 V1235 L1238 K1267 L1281 | L1218-L1222 PolarHBondContact O-N 2.9Å; F1219-L1222 HydrophobicContact CD1-CD1 3.74Å; F1219-L1222 HydrophobicContact CE1-CD1 4.23Å; F1219-L1222 WeakPolarHBondContact O-CB 3.34Å; F1219-L1222 PolarHBondContact O-N 3.17Å; F1219-L1222 VanDerWaalsContact O-N 3.12Å; F1220-L1222 PolarHBondContact O-N 3.02Å; L1222-Y1224 VanDerWaalsContact C-N 3.31Å; L1222-V1234 HydrophobicContact CD2-CB 4.2Å; L1222-V1234 HydrophobicContact CD2-CG1 3.58Å; L1222-V1234 HydrophobicContact CG-CG1 4.05Å; L1222-V1235 HydrophobicContact CD2-CG2 3.58Å; L1222-L1238 HydrophobicContact CD1-CD1 4.42Å; L1222-K1267 WeakPolarHBondContact O-CD 3.24Å; L1222-K1267 WeakPolarHBondContact O-CE 3.48Å; L1222-K1267 PolarHBondContact O-NZ 3.08Å; L1222-L1281 HydrophobicContact CD1-CD2 4.3Å |
| 1223 | R | 66.3 | Low | 71.7 | Confident | 98 Ų | 98 | 24 Ų | 24 | 37% | 0.37 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -3.8 | 172 | -50.7 | 177.3 | 91.6 | 175.5 | 7.3 | 112.8 | Q1124 F1220 Y1221 S1225 S1263 | Q1124-R1223 VanDerWaalsContact NE2-C 3.3Å; Q1124-R1223 PolarHBondContact NE2-O 2.81Å; F1220-R1223 WeakPolarHBondContact O-CA 3.29Å; F1220-R1223 VanDerWaalsContact O-CB 3.3Å; F1220-R1223 WeakPolarHBondContact O-CB 3.26Å; F1220-R1223 PolarHBondContact O-N 3.29Å; Y1221-R1223 PolarHBondContact O-N 3.34Å; R1223-S1225 PolarHBondContact O-N 3Å; R1223-S1263 WeakPolarHBondContact CD-OG 3.42Å; R1223-S1263 WeakPolarHBondContact CG-OG 3.45Å; R1223-S1263 PolarHBondContact NE-OG 3.31Å |
| 1224 | Y | 64.7 | Low | 71.8 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | trans | -85.8 | 104.3 | -178.8 | -168.2 | -105 | 0 | 0 | 0 | 111.2 | Q1124 L1127 L1128 T1131 V1164 Y1221 L1222 F1226 S1227 | Q1124-Y1224 HydrophobicContact CG-CD2 4.41Å; L1127-Y1224 HydrophobicContact CB-CD2 4.49Å; L1127-Y1224 HydrophobicContact CB-CE2 3.81Å; L1128-Y1224 HydrophobicContact CD2-CD2 4.07Å; L1128-Y1224 HydrophobicContact CD2-CE2 4.17Å; L1128-Y1224 HydrophobicContact CG-CD2 4.43Å; T1131-Y1224 VanDerWaalsContact CG2-OH 3.28Å; T1131-Y1224 WeakPolarHBondContact CG2-OH 3.24Å; V1164-Y1224 WeakPolarHBondContact CG2-OH 3.13Å; Y1221-Y1224 VanDerWaalsContact O-CB 3.24Å; Y1221-Y1224 WeakPolarHBondContact O-CB 3.47Å; Y1221-Y1224 PolarHBondContact O-N 3.49Å; L1222-Y1224 VanDerWaalsContact C-N 3.31Å; Y1224-F1226 HydrophobicContact CD1-CB 4.37Å; Y1224-F1226 HydrophobicContact CD2-CD2 4.29Å; Y1224-F1226 HydrophobicContact CE1-CB 3.77Å; Y1224-F1226 HydrophobicContact CE2-CB 4.18Å; Y1224-F1226 HydrophobicContact CE2-CD2 4.07Å; Y1224-S1227 WeakPolarHBondContact CE1-OG 3.28Å | ||
| 1225 | S | 57.4 | Low | 71.9 | Confident | 75 Ų | 75 | 22.8 Ų | 22.8 | 52% | 0.524 | 11% | 0.113 | S | C | . | . | trans | -88.2 | -0.5 | -177.7 | 50.6 | 0 | 0 | 0 | 0 | 114.8 | R1223 | R1223-S1225 PolarHBondContact O-N 3Š| ||
| 1226 | F | 53.3 | Low | 72 | Confident | 68 Ų | 68 | 24.5 Ų | 24.5 | 30% | 0.298 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -95.6 | -8.8 | -173.6 | -61.5 | -100 | 0 | 0 | 0 | 114.5 | K8 L1128 T1131 Y1224 | K8-F1226 HydrophobicContact CD-CE1 4.39Å; L1128-F1226 HydrophobicContact CD2-CD2 3.95Å; L1128-F1226 HydrophobicContact CD2-CE2 3.5Å; L1128-F1226 VanDerWaalsContact CD2-CE2 3.5Å; L1128-F1226 HydrophobicContact CD2-CZ 4.45Å; T1131-F1226 HydrophobicContact CG2-CB 4.32Å; T1131-F1226 HydrophobicContact CG2-CD1 4.37Å; T1131-F1226 HydrophobicContact CG2-CG 4.4Å; Y1224-F1226 HydrophobicContact CD1-CB 4.37Å; Y1224-F1226 HydrophobicContact CD2-CD2 4.29Å; Y1224-F1226 HydrophobicContact CE1-CB 3.77Å; Y1224-F1226 HydrophobicContact CE2-CB 4.18Å; Y1224-F1226 HydrophobicContact CE2-CD2 4.07Å |
| 1227 | S | 61.6 | Low | 72.3 | Confident | 6 Ų | 6 | 24.4 Ų | 24.4 | 4% | 0.042 | 13% | 0.127 | C | C | . | . | trans | -146.9 | 117.8 | 164.7 | 70.4 | 0 | 0 | 0 | 0 | 111.8 | Y1224 G1229 I1230 | Y1224-S1227 WeakPolarHBondContact CE1-OG 3.28Å; S1227-G1229 VanDerWaalsContact C-N 3.25Å; S1227-G1229 PolarHBondContact O-N 3.28Å; S1227-I1230 PolarHBondContact O-N 3.31Å; S1227-I1230 WeakPolarHBondContact OG-CD1 3.17Å; S1227-I1230 WeakPolarHBondContact OG-CG1 3.19Å | ||
| 1228 | V | 63.6 | Low | 72.6 | Confident | 57 Ų | 57 | 24.3 Ų | 24.3 | 35% | 0.345 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -64.8 | -33.5 | 178.9 | 177.7 | 0 | 0 | 0 | 0 | 111 | I1230 S1231 R1232 D1274 | V1228-I1230 PolarHBondContact O-N 3.42Å; V1228-S1231 PolarHBondContact O-N 3.05Å; V1228-R1232 HydrophobicContact CG1-CG 4.07Å; V1228-R1232 WeakPolarHBondContact O-CG 3.47Å; V1228-R1232 PolarHBondContact O-N 2.86Å; V1228-D1274 HydrophobicContact CG1-CB 3.5Å; V1228-D1274 VanDerWaalsContact CG1-CB 3.5Å; V1228-D1274 VanDerWaalsContact CG1-OD2 3.24Å; V1228-D1274 WeakPolarHBondContact CG1-OD2 3.35Å; V1228-D1274 HydrophobicContact CG2-CB 4.31Å |
| 1229 | G | 65.2 | Low | 72.8 | Confident | 8 Ų | 8 | 26.4 Ų | 26.4 | 8% | 0.082 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.9 | -40.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1227 L1233 | S1227-G1229 VanDerWaalsContact C-N 3.25Å; S1227-G1229 PolarHBondContact O-N 3.28Å; G1229-L1233 WeakPolarHBondContact O-CB 3.38Å; G1229-L1233 PolarHBondContact O-N 2.99Å; G1229-L1233 VanDerWaalsContact O-N 3.17Å |
| 1230 | I | 75.8 | Confident | 73.1 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68 | -49 | 175 | -67.4 | 179 | 0 | 0 | 0 | 109.9 | V1164 V1167 W1168 L1171 Y1221 S1227 V1228 R1232 L1233 V1234 | V1164-I1230 HydrophobicContact CG1-CD1 4.02Å; V1167-I1230 HydrophobicContact CB-CD1 4.43Å; V1167-I1230 HydrophobicContact CG1-CD1 3.95Å; W1168-I1230 HydrophobicContact CB-CD1 4.47Å; W1168-I1230 HydrophobicContact CB-CG1 3.97Å; W1168-I1230 HydrophobicContact CG-CG1 4.42Å; L1171-I1230 HydrophobicContact CD1-CG2 4.01Å; Y1221-I1230 HydrophobicContact CD2-CG2 4.24Å; Y1221-I1230 HydrophobicContact CG-CG2 4.09Å; S1227-I1230 PolarHBondContact O-N 3.31Å; S1227-I1230 WeakPolarHBondContact OG-CD1 3.17Å; S1227-I1230 WeakPolarHBondContact OG-CG1 3.19Å; V1228-I1230 PolarHBondContact O-N 3.42Å; I1230-R1232 PolarHBondContact O-N 3Å; I1230-L1233 PolarHBondContact O-N 3.02Å; I1230-V1234 HydrophobicContact CG2-CG2 3.94Å; I1230-V1234 WeakPolarHBondContact O-CB 3.39Å; I1230-V1234 WeakPolarHBondContact O-CG2 3.3Å; I1230-V1234 PolarHBondContact O-N 3.39Å |
| 1231 | S | 75 | Confident | 73.2 | Confident | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.7 | -46.1 | 178.2 | -79.8 | 0 | 0 | 0 | 0 | 112.6 | V1228 V1235 K1267 | V1228-S1231 PolarHBondContact O-N 3.05Å; S1231-V1235 VanDerWaalsContact O-CG2 3.32Å; S1231-V1235 WeakPolarHBondContact O-CG2 3.26Å; S1231-V1235 PolarHBondContact O-N 3Å; S1231-K1267 PolarHBondContact OG-NZ 3.22Å |
| 1232 | R | 75.8 | Confident | 73.3 | Confident | 104 Ų | 104 | 26.6 Ų | 26.6 | 39% | 0.392 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -59.3 | -47.9 | 177 | -73.5 | 177.4 | -179.8 | 160.1 | 2.6 | 112.1 | V1228 I1230 V1235 A1236 D1274 V1277 | V1228-R1232 HydrophobicContact CG1-CG 4.07Å; V1228-R1232 WeakPolarHBondContact O-CG 3.47Å; V1228-R1232 PolarHBondContact O-N 2.86Å; I1230-R1232 PolarHBondContact O-N 3Å; R1232-V1235 PolarHBondContact O-N 2.72Å; R1232-A1236 PolarHBondContact O-N 3.38Å; R1232-D1274 IonicContact CZ-OD1 3.2Å; R1232-D1274 IonicContact CZ-OD2 3.49Å; R1232-D1274 IonicContact NE-OD1 2.8Å; R1232-D1274 IonicContact NE-OD2 2.68Å; R1232-D1274 PolarHBondContact NE-OD2 3.46Å; R1232-D1274 IonicContact NH2-OD1 2.7Å; R1232-D1274 PolarHBondContact NH2-OD1 3.4Å; R1232-D1274 IonicContact NH2-OD2 2.68Å; R1232-D1274 PolarHBondContact NH2-OD2 3.42Å; R1232-V1277 HydrophobicContact CG-CG2 3.8Å |
| 1233 | L | 77.4 | Confident | 73.6 | Confident | 26 Ų | 26 | 29.1 Ų | 29.1 | 14% | 0.136 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -78.2 | -31.2 | -171 | -158.3 | 141.5 | 0 | 0 | 0 | 112.6 | L1171 T1172 H1175 G1229 I1230 A1236 L1237 | L1171-L1233 VanDerWaalsContact C-CD2 3.4Å; L1171-L1233 HydrophobicContact CB-CD2 3.69Å; L1171-L1233 WeakPolarHBondContact O-CD2 3.24Å; T1172-L1233 HydrophobicContact CG2-CD1 4.24Å; T1172-L1233 VanDerWaalsContact OG1-CD1 3.24Å; T1172-L1233 WeakPolarHBondContact OG1-CD1 3.4Å; H1175-L1233 HydrophobicContact CB-CD2 4.17Å; G1229-L1233 WeakPolarHBondContact O-CB 3.38Å; G1229-L1233 PolarHBondContact O-N 2.99Å; G1229-L1233 VanDerWaalsContact O-N 3.17Å; I1230-L1233 PolarHBondContact O-N 3.02Å; L1233-A1236 PolarHBondContact O-N 2.91Å; L1233-L1237 WeakPolarHBondContact O-CB 3.45Å; L1233-L1237 PolarHBondContact O-N 3.18Å |
| 1234 | V | 83 | Confident | 73.9 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.2 | -47 | 166.8 | 166 | 0 | 0 | 0 | 0 | 111 | L1171 L1218 Y1221 L1222 I1230 L1237 L1238 | L1171-V1234 HydrophobicContact CD1-CG2 4.1Å; L1218-V1234 HydrophobicContact CB-CG1 4.11Å; L1218-V1234 HydrophobicContact CD2-CG2 4.22Å; L1218-V1234 VanDerWaalsContact O-CG1 3.26Å; L1218-V1234 WeakPolarHBondContact O-CG1 3.36Å; Y1221-V1234 HydrophobicContact CD2-CG2 3.82Å; Y1221-V1234 HydrophobicContact CG-CG2 4.39Å; L1222-V1234 HydrophobicContact CD2-CB 4.2Å; L1222-V1234 HydrophobicContact CD2-CG1 3.58Å; L1222-V1234 HydrophobicContact CG-CG1 4.05Å; I1230-V1234 HydrophobicContact CG2-CG2 3.94Å; I1230-V1234 WeakPolarHBondContact O-CB 3.39Å; I1230-V1234 WeakPolarHBondContact O-CG2 3.3Å; I1230-V1234 PolarHBondContact O-N 3.39Å; V1234-L1237 PolarHBondContact O-N 3.37Å; V1234-L1238 HydrophobicContact CG1-CD1 3.9Å; V1234-L1238 HydrophobicContact CG1-CG 4.45Å; V1234-L1238 WeakPolarHBondContact O-CB 3.38Å; V1234-L1238 WeakPolarHBondContact O-CG 3.45Å; V1234-L1238 PolarHBondContact O-N 3.32Å |
| 1235 | V | 81.3 | Confident | 74.1 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 177.7 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | L1222 S1231 R1232 L1237 L1238 K1239 V1277 G1280 L1281 | L1222-V1235 HydrophobicContact CD2-CG2 3.58Å; S1231-V1235 VanDerWaalsContact O-CG2 3.32Å; S1231-V1235 WeakPolarHBondContact O-CG2 3.26Å; S1231-V1235 PolarHBondContact O-N 3Å; R1232-V1235 PolarHBondContact O-N 2.72Å; V1235-L1237 VanDerWaalsContact C-N 3.35Å; V1235-L1237 PolarHBondContact O-N 3.33Å; V1235-L1238 PolarHBondContact O-N 2.88Å; V1235-K1239 WeakPolarHBondContact O-CB 3.43Å; V1235-K1239 PolarHBondContact O-N 3.47Å; V1235-V1277 HydrophobicContact CG2-CG1 4.45Å; V1235-G1280 VanDerWaalsContact CG1-O 3.22Å; V1235-G1280 WeakPolarHBondContact CG1-O 3.47Å; V1235-L1281 HydrophobicContact CG1-CD2 4.37Å; V1235-L1281 HydrophobicContact CG1-CG 4.43Å; V1235-L1281 HydrophobicContact CG2-CD2 3.77Å; V1235-L1281 HydrophobicContact CG2-CG 4.04Å |
| 1236 | A | 80.7 | Confident | 74.4 | Confident | 39 Ų | 39 | 30.9 Ų | 30.9 | 32% | 0.322 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.2 | -39.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1232 L1233 W1240 | R1232-A1236 PolarHBondContact O-N 3.38Å; L1233-A1236 PolarHBondContact O-N 2.91Å; A1236-W1240 WeakPolarHBondContact O-CB 3.31Å; A1236-W1240 PolarHBondContact O-N 3.12Å |
| 1237 | L | 82.8 | Confident | 75 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72.8 | -39.4 | 178.1 | -175 | 140 | 0 | 0 | 0 | 112.4 | V1174 H1175 L1178 Y1214 L1218 L1233 V1234 V1235 W1240 I1241 | V1174-L1237 HydrophobicContact CB-CD1 4.26Å; V1174-L1237 HydrophobicContact CG1-CD1 3.87Å; H1175-L1237 HydrophobicContact CB-CD1 4.05Å; L1178-L1237 HydrophobicContact CD1-CD1 4.45Å; Y1214-L1237 HydrophobicContact CE1-CD2 4.48Å; L1218-L1237 HydrophobicContact CD1-CD2 3.4Å; L1218-L1237 HydrophobicContact CD2-CD2 4.24Å; L1218-L1237 HydrophobicContact CG-CD2 4.48Å; L1233-L1237 WeakPolarHBondContact O-CB 3.45Å; L1233-L1237 PolarHBondContact O-N 3.18Å; V1234-L1237 PolarHBondContact O-N 3.37Å; V1235-L1237 VanDerWaalsContact C-N 3.35Å; V1235-L1237 PolarHBondContact O-N 3.33Å; L1237-W1240 WeakPolarHBondContact O-CB 3.36Å; L1237-W1240 PolarHBondContact O-N 3.25Å; L1237-I1241 HydrophobicContact CD2-CD1 3.69Å; L1237-I1241 HydrophobicContact CG-CD1 4.45Å; L1237-I1241 WeakPolarHBondContact O-CG1 3.37Å; L1237-I1241 PolarHBondContact O-N 3.16Å |
| 1238 | L | 83.5 | Confident | 75.3 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | 170.9 | -71.3 | 169.1 | 0 | 0 | 0 | 111.2 | L1218 F1219 L1222 V1234 V1235 W1240 I1241 T1242 I1249 L1284 | L1218-L1238 HydrophobicContact CB-CD2 4.33Å; L1218-L1238 HydrophobicContact CD1-CD2 4.04Å; F1219-L1238 HydrophobicContact CD1-CD1 4.32Å; F1219-L1238 HydrophobicContact CD2-CD2 4.49Å; F1219-L1238 HydrophobicContact CE1-CD1 3.95Å; F1219-L1238 HydrophobicContact CE2-CD1 4.29Å; F1219-L1238 HydrophobicContact CE2-CD2 3.85Å; F1219-L1238 HydrophobicContact CZ-CD1 3.93Å; F1219-L1238 HydrophobicContact CZ-CD2 4.06Å; L1222-L1238 HydrophobicContact CD1-CD1 4.42Å; V1234-L1238 HydrophobicContact CG1-CD1 3.9Å; V1234-L1238 HydrophobicContact CG1-CG 4.45Å; V1234-L1238 WeakPolarHBondContact O-CB 3.38Å; V1234-L1238 WeakPolarHBondContact O-CG 3.45Å; V1234-L1238 PolarHBondContact O-N 3.32Å; V1235-L1238 PolarHBondContact O-N 2.88Å; L1238-W1240 VanDerWaalsContact C-N 3.33Å; L1238-W1240 PolarHBondContact O-N 3.39Å; L1238-I1241 PolarHBondContact O-N 2.84Å; L1238-T1242 WeakPolarHBondContact O-CG2 3.22Å; L1238-T1242 PolarHBondContact O-N 3Å; L1238-T1242 PolarHBondContact O-OG1 2.67Å; L1238-I1249 HydrophobicContact CD2-CD1 4.04Å; L1238-L1284 HydrophobicContact CB-CD1 4.29Å; L1238-L1284 HydrophobicContact CB-CD2 4.17Å |
| 1239 | K | 83 | Confident | 75.8 | Confident | 44 Ų | 44 | 26.7 Ų | 26.7 | 19% | 0.191 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.3 | -48.6 | 175.7 | -175.2 | -173.9 | 176.8 | -169.4 | 0 | 110.7 | V1235 I1241 T1242 Q1243 D1283 L1284 E1287 | V1235-K1239 WeakPolarHBondContact O-CB 3.43Å; V1235-K1239 PolarHBondContact O-N 3.47Å; K1239-I1241 PolarHBondContact O-N 3.32Å; K1239-T1242 PolarHBondContact O-N 3.21Å; K1239-T1242 VanDerWaalsContact O-N 3.16Å; K1239-T1242 PolarHBondContact O-OG1 3.32Å; K1239-Q1243 WeakPolarHBondContact O-CB 3.31Å; K1239-Q1243 PolarHBondContact O-N 3.47Å; K1239-D1283 HydrophobicContact CD-CB 4.48Å; K1239-D1283 VanDerWaalsContact NZ-CG 3.28Å; K1239-D1283 IonicContact NZ-OD1 2.84Å; K1239-D1283 IonicContact NZ-OD2 3.79Å; K1239-D1283 PolarHBondContact NZ-OD2 2.7Å; K1239-L1284 HydrophobicContact CB-CB 4.44Å; K1239-L1284 HydrophobicContact CB-CD1 4.37Å; K1239-E1287 HydrophobicContact CD-CG 4.24Å; K1239-E1287 VanDerWaalsContact CE-CG 3.41Å; K1239-E1287 HydrophobicContact CG-CG 3.84Å |
| 1240 | W | 83.1 | Confident | 76.1 | Confident | 13 Ų | 13 | 28.1 Ų | 28.1 | 5% | 0.049 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.2 | -47.1 | 177.4 | -166.5 | 100 | 0 | 0 | 0 | 112.5 | H1175 L1178 N1179 N1182 A1236 L1237 L1238 T1242 Q1243 Y1244 | H1175-W1240 AromaticContact CE1-CD1 3.99Å; L1178-W1240 VanDerWaalsContact C-CZ2 3.44Å; L1178-W1240 HydrophobicContact CB-CD2 4.17Å; L1178-W1240 HydrophobicContact CB-CE3 4.12Å; L1178-W1240 HydrophobicContact CB-CH2 3.77Å; L1178-W1240 HydrophobicContact CB-CZ2 3.78Å; L1178-W1240 HydrophobicContact CB-CZ3 3.95Å; L1178-W1240 HydrophobicContact CD1-CE3 4.01Å; L1178-W1240 HydrophobicContact CD1-CZ3 4.12Å; L1178-W1240 HydrophobicContact CD2-CH2 3.96Å; L1178-W1240 HydrophobicContact CD2-CZ3 3.81Å; L1178-W1240 HydrophobicContact CG-CE3 4.46Å; L1178-W1240 HydrophobicContact CG-CH2 4.36Å; L1178-W1240 HydrophobicContact CG-CZ3 4.18Å; L1178-W1240 WeakPolarHBondContact O-CZ2 3.5Å; N1179-W1240 VanDerWaalsContact OD1-CD1 3.31Å; N1179-W1240 PolarHBondContact OD1-NE1 3.19Å; N1182-W1240 HydrophobicContact CB-CH2 4.13Å; N1182-W1240 HydrophobicContact CB-CZ2 3.6Å; N1182-W1240 WeakPolarHBondContact ND2-CZ2 3.42Å; A1236-W1240 WeakPolarHBondContact O-CB 3.31Å; A1236-W1240 PolarHBondContact O-N 3.12Å; L1237-W1240 WeakPolarHBondContact O-CB 3.36Å; L1237-W1240 PolarHBondContact O-N 3.25Å; L1238-W1240 VanDerWaalsContact C-N 3.33Å; L1238-W1240 PolarHBondContact O-N 3.39Å; W1240-T1242 VanDerWaalsContact C-N 3.34Å; W1240-T1242 PolarHBondContact O-N 3.39Å; W1240-Q1243 PolarHBondContact O-N 3.38Å; W1240-Y1244 AromaticContact CD1-CD2 3.76Å; W1240-Y1244 AromaticContact CD1-CE2 3.87Å; W1240-Y1244 AromaticContact CD2-CD2 3.81Å; W1240-Y1244 HydrophobicContact CD2-CD2 3.81Å; W1240-Y1244 AromaticContact CE2-CD2 3.61Å; W1240-Y1244 AromaticContact CG-CD2 3.9Å; W1240-Y1244 HydrophobicContact CG-CD2 3.9Å; W1240-Y1244 HydrophobicContact CG-CE2 4.38Å; W1240-Y1244 HydrophobicContact CZ2-CD2 4.16Å; W1240-Y1244 HydrophobicContact CZ2-CG 4.36Å; W1240-Y1244 AromaticContact NE1-CD2 3.6Å; W1240-Y1244 AromaticContact NE1-CE2 3.82Å; W1240-Y1244 WeakPolarHBondContact O-CD2 3.21Å; W1240-Y1244 PolarHBondContact O-N 3.04Å |
| 1241 | I | 78.2 | Confident | 75.9 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 177.6 | -69.1 | 166.8 | 0 | 0 | 0 | 110.8 | L1237 L1238 K1239 Q1243 S1245 I1249 | L1237-I1241 HydrophobicContact CD2-CD1 3.69Å; L1237-I1241 HydrophobicContact CG-CD1 4.45Å; L1237-I1241 WeakPolarHBondContact O-CG1 3.37Å; L1237-I1241 PolarHBondContact O-N 3.16Å; L1238-I1241 PolarHBondContact O-N 2.84Å; K1239-I1241 PolarHBondContact O-N 3.32Å; I1241-Q1243 VanDerWaalsContact C-N 3.34Å; I1241-Q1243 PolarHBondContact O-N 3.43Å; I1241-S1245 VanDerWaalsContact O-CB 3.29Å; I1241-S1245 WeakPolarHBondContact O-CB 3.43Å; I1241-S1245 PolarHBondContact O-N 3.27Å; I1241-S1245 PolarHBondContact O-OG 3.21Å; I1241-I1249 HydrophobicContact CB-CD1 4.48Å; I1241-I1249 HydrophobicContact CG2-CD1 4.09Å; I1241-I1249 HydrophobicContact CG2-CG1 4.23Å |
| 1242 | T | 76.8 | Confident | 75.6 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.6 | -27.1 | 178.2 | 59.5 | 0 | 0 | 0 | 0 | 114.5 | L1238 K1239 W1240 I1249 L1284 T1288 | L1238-T1242 WeakPolarHBondContact O-CG2 3.22Å; L1238-T1242 PolarHBondContact O-N 3Å; L1238-T1242 PolarHBondContact O-OG1 2.67Å; K1239-T1242 PolarHBondContact O-N 3.21Å; K1239-T1242 VanDerWaalsContact O-N 3.16Å; K1239-T1242 PolarHBondContact O-OG1 3.32Å; W1240-T1242 VanDerWaalsContact C-N 3.34Å; W1240-T1242 PolarHBondContact O-N 3.39Å; T1242-I1249 HydrophobicContact CG2-CD1 3.4Å; T1242-I1249 VanDerWaalsContact CG2-CD1 3.4Å; T1242-I1249 HydrophobicContact CG2-CG1 4.22Å; T1242-L1284 HydrophobicContact CG2-CD1 3.85Å; T1242-T1288 HydrophobicContact CG2-CG2 3.74Å |
| 1243 | Q | 77.4 | Confident | 75.2 | Confident | 55 Ų | 55 | 32.6 Ų | 32.6 | 26% | 0.257 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -84 | -42.8 | -176.8 | -168 | 174.4 | 16.2 | 0 | 0 | 111.8 | K1239 W1240 I1241 N1291 K1294 | K1239-Q1243 WeakPolarHBondContact O-CB 3.31Å; K1239-Q1243 PolarHBondContact O-N 3.47Å; W1240-Q1243 PolarHBondContact O-N 3.38Å; I1241-Q1243 VanDerWaalsContact C-N 3.34Å; I1241-Q1243 PolarHBondContact O-N 3.43Å; Q1243-N1291 PolarHBondContact O-OD1 2.83Å; Q1243-K1294 PolarHBondContact O-NZ 3.36Å; Q1243-K1294 VanDerWaalsContact O-NZ 3.08Å |
| 1244 | Y | 71.8 | Confident | 74.8 | Confident | 112 Ų | 112 | 34.3 Ų | 34.3 | 44% | 0.439 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -108.8 | -10.2 | -169.8 | -61.7 | -69.5 | 0 | 0 | 0 | 115.5 | N1182 W1240 | N1182-Y1244 WeakPolarHBondContact ND2-CD1 3.46Å; W1240-Y1244 AromaticContact CD1-CD2 3.76Å; W1240-Y1244 AromaticContact CD1-CE2 3.87Å; W1240-Y1244 AromaticContact CD2-CD2 3.81Å; W1240-Y1244 HydrophobicContact CD2-CD2 3.81Å; W1240-Y1244 AromaticContact CE2-CD2 3.61Å; W1240-Y1244 AromaticContact CG-CD2 3.9Å; W1240-Y1244 HydrophobicContact CG-CD2 3.9Å; W1240-Y1244 HydrophobicContact CG-CE2 4.38Å; W1240-Y1244 HydrophobicContact CZ2-CD2 4.16Å; W1240-Y1244 HydrophobicContact CZ2-CG 4.36Å; W1240-Y1244 AromaticContact NE1-CD2 3.6Å; W1240-Y1244 AromaticContact NE1-CE2 3.82Å; W1240-Y1244 WeakPolarHBondContact O-CD2 3.21Å; W1240-Y1244 PolarHBondContact O-N 3.04Å |
| 1245 | S | 70.2 | Confident | 74 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 5% | 0.049 | 23% | 0.227 | C | C | . | . | trans | -109.6 | 160.1 | 173.1 | 85.9 | 0 | 0 | 0 | 0 | 112.4 | I1241 V1247 | I1241-S1245 VanDerWaalsContact O-CB 3.29Å; I1241-S1245 WeakPolarHBondContact O-CB 3.43Å; I1241-S1245 PolarHBondContact O-N 3.27Å; I1241-S1245 PolarHBondContact O-OG 3.21Å; S1245-V1247 VanDerWaalsContact C-N 3.29Å; S1245-V1247 WeakPolarHBondContact OG-CB 3.23Å; S1245-V1247 PolarHBondContact OG-N 3.35Å | ||
| 1246 | S | 63.2 | Low | 73.2 | Confident | 93 Ų | 93 | 40.8 Ų | 40.8 | 65% | 0.65 | 24% | 0.237 | S | C | * | . | trans | -93.9 | 29.5 | 172.7 | 60.1 | 0 | 0 | 0 | 0 | 112.7 | Y1295 | S1246-Y1295 WeakPolarHBondContact O-CE1 3.27Š| ||
| 1247 | V | 66.7 | Low | 72.6 | Confident | 13 Ų | 13 | 39.7 Ų | 39.7 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | trans | -102.2 | 121.3 | -172.2 | -177.2 | 0 | 0 | 0 | 0 | 110.4 | Q1203 S1245 I1249 Y1252 Y1295 | Q1203-V1247 HydrophobicContact CG-CG2 4.16Å; Q1203-V1247 VanDerWaalsContact NE2-CG2 3.31Å; S1245-V1247 VanDerWaalsContact C-N 3.29Å; S1245-V1247 WeakPolarHBondContact OG-CB 3.23Å; S1245-V1247 PolarHBondContact OG-N 3.35Å; V1247-I1249 PolarHBondContact O-N 3.04Å; V1247-Y1252 HydrophobicContact CG1-CD2 4.32Å; V1247-Y1252 HydrophobicContact CG1-CE2 3.35Å; V1247-Y1295 VanDerWaalsContact C-CE1 3.47Å; V1247-Y1295 PolarHBondContact O-OH 2.89Å; V1247-Y1295 VanDerWaalsContact O-OH 3.06Å | ||
| 1248 | D | 67.6 | Low | 72 | Confident | 26 Ų | 26 | 43.1 Ų | 43.1 | 14% | 0.139 | 25% | 0.245 | C | C | . | . | trans | -80.2 | 106 | 170.6 | -173.3 | -24.3 | 0 | 0 | 0 | 108.2 | T1250 N1251 Y1295 G1305 | D1248-T1250 PolarHBondContact O-N 3.28Å; D1248-T1250 VanDerWaalsContact O-N 3.1Å; D1248-T1250 WeakPolarHBondContact OD1-CB 3.18Å; D1248-T1250 PolarHBondContact OD1-N 2.65Å; D1248-T1250 PolarHBondContact OD1-OG1 3Å; D1248-T1250 PolarHBondContact OD2-OG1 3.3Å; D1248-N1251 WeakPolarHBondContact O-CB 3.41Å; D1248-N1251 PolarHBondContact O-N 3.42Å; D1248-N1251 VanDerWaalsContact O-N 3.17Å; D1248-Y1295 HydrophobicContact CB-CD1 4.09Å; D1248-Y1295 HydrophobicContact CB-CE1 3.99Å; D1248-G1305 WeakPolarHBondContact OD1-CA 3.35Å; D1248-G1305 VanDerWaalsContact OD2-CA 3.26Å; D1248-G1305 WeakPolarHBondContact OD2-CA 3.49Å | ||
| 1249 | I | 73.1 | Confident | 71.3 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -50.2 | -31.1 | 178.3 | -76.2 | -172.7 | 0 | 0 | 0 | 112.9 | I1215 F1219 L1238 I1241 T1242 V1247 N1251 Y1252 | I1215-I1249 HydrophobicContact CG2-CG2 3.79Å; F1219-I1249 HydrophobicContact CE2-CG2 3.47Å; F1219-I1249 VanDerWaalsContact CE2-CG2 3.47Å; F1219-I1249 HydrophobicContact CZ-CG2 3.75Å; L1238-I1249 HydrophobicContact CD2-CD1 4.04Å; I1241-I1249 HydrophobicContact CB-CD1 4.48Å; I1241-I1249 HydrophobicContact CG2-CD1 4.09Å; I1241-I1249 HydrophobicContact CG2-CG1 4.23Å; T1242-I1249 HydrophobicContact CG2-CD1 3.4Å; T1242-I1249 VanDerWaalsContact CG2-CD1 3.4Å; T1242-I1249 HydrophobicContact CG2-CG1 4.22Å; V1247-I1249 PolarHBondContact O-N 3.04Å; I1249-N1251 VanDerWaalsContact C-N 3.31Å; I1249-N1251 PolarHBondContact O-N 3.18Å; I1249-Y1252 PolarHBondContact O-N 3.05Å |
| 1250 | T | 71.2 | Confident | 70.7 | Confident | 37 Ų | 37 | 45.1 Ų | 45.1 | 23% | 0.227 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -72.6 | -20.7 | -176.2 | 61.2 | 0 | 0 | 0 | 0 | 114.4 | D1248 Y1252 L1253 L1306 L1309 | D1248-T1250 PolarHBondContact O-N 3.28Å; D1248-T1250 VanDerWaalsContact O-N 3.1Å; D1248-T1250 WeakPolarHBondContact OD1-CB 3.18Å; D1248-T1250 PolarHBondContact OD1-N 2.65Å; D1248-T1250 PolarHBondContact OD1-OG1 3Å; D1248-T1250 PolarHBondContact OD2-OG1 3.3Å; T1250-Y1252 PolarHBondContact O-N 3.11Å; T1250-Y1252 VanDerWaalsContact O-N 3.16Å; T1250-L1253 HydrophobicContact CG2-CD1 4.36Å; T1250-L1253 PolarHBondContact O-N 3.34Å; T1250-L1306 HydrophobicContact CG2-CB 4.39Å; T1250-L1309 HydrophobicContact CG2-CB 4.29Å; T1250-L1309 HydrophobicContact CG2-CD2 4.37Å |
| 1251 | N | 72.5 | Confident | 70.2 | Confident | 126 Ų | 126 | 45.1 Ų | 45.1 | 67% | 0.674 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -63.8 | -19.5 | 176.3 | -71.2 | -33.8 | 0 | 0 | 0 | 113.3 | D1248 I1249 | D1248-N1251 WeakPolarHBondContact O-CB 3.41Å; D1248-N1251 PolarHBondContact O-N 3.42Å; D1248-N1251 VanDerWaalsContact O-N 3.17Å; I1249-N1251 VanDerWaalsContact C-N 3.31Å; I1249-N1251 PolarHBondContact O-N 3.18Å |
| 1252 | Y | 69.4 | Low | 69.9 | Low | 71 Ų | 71 | 47.7 Ų | 47.7 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -97.7 | -10.8 | -174.1 | -59.2 | -93.2 | 0 | 0 | 0 | 113.4 | H1213 I1215 T1216 V1247 I1249 T1250 G1254 | H1213-Y1252 HydrophobicContact CB-CD1 4.24Å; H1213-Y1252 AromaticContact CD2-CD1 3.61Å; H1213-Y1252 AromaticContact CE1-CD1 3.93Å; H1213-Y1252 AromaticContact CE1-CE1 3.98Å; H1213-Y1252 AromaticContact CG-CD1 3.48Å; H1213-Y1252 VanDerWaalsContact CG-CD1 3.48Å; H1213-Y1252 AromaticContact ND1-CD1 3.42Å; H1213-Y1252 WeakPolarHBondContact ND1-CD1 3.3Å; H1213-Y1252 AromaticContact ND1-CG 3.85Å; H1213-Y1252 AromaticContact NE2-CE1 3.78Å; I1215-Y1252 HydrophobicContact CD1-CD1 4.49Å; I1215-Y1252 HydrophobicContact CD1-CD2 3.92Å; I1215-Y1252 HydrophobicContact CD1-CE2 4.33Å; I1215-Y1252 HydrophobicContact CD1-CG 4.02Å; T1216-Y1252 PolarHBondContact OG1-O 2.69Å; V1247-Y1252 HydrophobicContact CG1-CD2 4.32Å; V1247-Y1252 HydrophobicContact CG1-CE2 3.35Å; I1249-Y1252 PolarHBondContact O-N 3.05Å; T1250-Y1252 PolarHBondContact O-N 3.11Å; T1250-Y1252 VanDerWaalsContact O-N 3.16Å; Y1252-G1254 PolarHBondContact O-N 2.86Å |
| 1253 | L | 66.4 | Low | 69.6 | Low | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | trans | -81.2 | -11.6 | -170.4 | -69.3 | 177.6 | 0 | 0 | 0 | 115.7 | T1216 F1219 T1250 E1256 S1257 V1260 L1309 | T1216-L1253 HydrophobicContact CG2-CD2 4.48Å; F1219-L1253 HydrophobicContact CD2-CD2 3.61Å; F1219-L1253 HydrophobicContact CE2-CD2 4.05Å; F1219-L1253 HydrophobicContact CG-CD2 4.28Å; T1250-L1253 HydrophobicContact CG2-CD1 4.36Å; T1250-L1253 PolarHBondContact O-N 3.34Å; L1253-E1256 PolarHBondContact O-N 3.14Å; L1253-S1257 PolarHBondContact O-N 3.24Å; L1253-V1260 HydrophobicContact CD1-CG1 4.49Å; L1253-V1260 HydrophobicContact CD2-CG2 4.3Å; L1253-L1309 HydrophobicContact CD1-CD2 3.47Å; L1253-L1309 VanDerWaalsContact CD1-CD2 3.47Å | ||
| 1254 | G | 69.1 | Low | 69.4 | Low | 62 Ų | 62 | 45.8 Ų | 45.8 | 64% | 0.639 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | 50.3 | -137.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115 | Y1252 E1256 S1257 | Y1252-G1254 PolarHBondContact O-N 2.86Å; G1254-E1256 VanDerWaalsContact C-N 3.29Å; G1254-E1256 PolarHBondContact O-N 3.14Å; G1254-S1257 PolarHBondContact O-OG 2.92Å; G1254-S1257 VanDerWaalsContact O-OG 3.09Å |
| 1255 | S | 65.9 | Low | 69.6 | Low | 93 Ų | 93 | 41.1 Ų | 41.1 | 65% | 0.65 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -66.3 | -28.8 | 176.8 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | S1257 | S1255-S1257 VanDerWaalsContact C-N 3.27Å; S1255-S1257 PolarHBondContact O-N 3.17Å |
| 1256 | E | 64.7 | Low | 69.7 | Low | 48 Ų | 48 | 46.1 Ų | 46.1 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -83.2 | -4.1 | -169.2 | -54.3 | -45.4 | 121.5 | 0 | 0 | 113.9 | F1220 L1253 G1254 N1258 Q1259 V1260 | F1220-E1256 HydrophobicContact CE1-CB 4.38Å; F1220-E1256 HydrophobicContact CZ-CB 4.08Å; F1220-E1256 HydrophobicContact CZ-CG 4.09Å; L1253-E1256 PolarHBondContact O-N 3.14Å; G1254-E1256 VanDerWaalsContact C-N 3.29Å; G1254-E1256 PolarHBondContact O-N 3.14Å; E1256-N1258 PolarHBondContact O-N 3.1Å; E1256-Q1259 WeakPolarHBondContact O-CA 3.45Å; E1256-Q1259 WeakPolarHBondContact O-CB 3.28Å; E1256-Q1259 PolarHBondContact O-N 2.81Å; E1256-Q1259 PolarHBondContact OE2-NE2 1.97Å; E1256-V1260 PolarHBondContact O-N 3.32Å |
| 1257 | S | 68.7 | Low | 70.1 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -45.1 | -36.7 | 173.1 | 54.6 | 0 | 0 | 0 | 0 | 114 | L1253 G1254 S1255 R1261 | L1253-S1257 PolarHBondContact O-N 3.24Å; G1254-S1257 PolarHBondContact O-OG 2.92Å; G1254-S1257 VanDerWaalsContact O-OG 3.09Å; S1255-S1257 VanDerWaalsContact C-N 3.27Å; S1255-S1257 PolarHBondContact O-N 3.17Å; S1257-R1261 WeakPolarHBondContact O-CB 3.4Å; S1257-R1261 PolarHBondContact O-N 3.31Å |
| 1258 | N | 69.1 | Low | 70.3 | Confident | 73 Ų | 73 | 42 Ų | 42 | 39% | 0.39 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -71.1 | -37.9 | 174.8 | -75 | -46.8 | 0 | 0 | 0 | 114.1 | E1256 V1260 R1261 A1262 G1314 | E1256-N1258 PolarHBondContact O-N 3.1Å; N1258-V1260 VanDerWaalsContact C-N 3.33Å; N1258-R1261 PolarHBondContact O-N 3.21Å; N1258-A1262 PolarHBondContact O-N 3.18Å; N1258-A1262 VanDerWaalsContact O-N 3.09Å; N1258-G1314 WeakPolarHBondContact OD1-CA 3.02Å; N1258-G1314 PolarHBondContact OD1-N 2.92Å |
| 1259 | Q | 68.5 | Low | 70.5 | Confident | 81 Ų | 81 | 43.7 Ų | 43.7 | 38% | 0.379 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.1 | -38.1 | 175.5 | -60.8 | -152 | 50.7 | 0 | 0 | 110.9 | E1256 S1263 | E1256-Q1259 WeakPolarHBondContact O-CA 3.45Å; E1256-Q1259 WeakPolarHBondContact O-CB 3.28Å; E1256-Q1259 PolarHBondContact O-N 2.81Å; E1256-Q1259 PolarHBondContact OE2-NE2 1.97Å; Q1259-S1263 WeakPolarHBondContact O-CB 3.39Å; Q1259-S1263 PolarHBondContact O-N 2.98Å; Q1259-S1263 PolarHBondContact O-OG 3.35Å |
| 1260 | V | 70.4 | Confident | 70.3 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.9 | -46.1 | 174.6 | 174.4 | 0 | 0 | 0 | 0 | 111 | F1219 L1253 E1256 N1258 A1262 S1263 C1264 | F1219-V1260 HydrophobicContact CB-CB 4.42Å; F1219-V1260 HydrophobicContact CB-CG1 3.78Å; F1219-V1260 HydrophobicContact CB-CG2 3.73Å; F1219-V1260 HydrophobicContact CD1-CG1 3.33Å; F1219-V1260 HydrophobicContact CD2-CG1 4.39Å; F1219-V1260 HydrophobicContact CE1-CG1 3.99Å; F1219-V1260 HydrophobicContact CG-CG1 3.58Å; F1219-V1260 HydrophobicContact CG-CG2 4.35Å; L1253-V1260 HydrophobicContact CD1-CG1 4.49Å; L1253-V1260 HydrophobicContact CD2-CG2 4.3Å; E1256-V1260 PolarHBondContact O-N 3.32Å; N1258-V1260 VanDerWaalsContact C-N 3.33Å; V1260-A1262 PolarHBondContact O-N 3.1Å; V1260-S1263 PolarHBondContact O-N 2.75Å; V1260-C1264 PolarHBondContact O-N 2.72Å; V1260-C1264 PolarHBondContact O-SG 2.97Å; V1260-C1264 VanDerWaalsContact O-SG 3.42Å |
| 1261 | R | 74.2 | Confident | 69.7 | Low | 14 Ų | 14 | 46.9 Ų | 46.9 | 5% | 0.053 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -50.4 | -56.7 | 172.1 | 170.3 | -175.8 | 172 | 71.1 | 3.9 | 111.3 | S1257 N1258 S1263 C1264 L1265 L1309 L1310 L1311 D1313 | S1257-R1261 WeakPolarHBondContact O-CB 3.4Å; S1257-R1261 PolarHBondContact O-N 3.31Å; N1258-R1261 PolarHBondContact O-N 3.21Å; R1261-S1263 VanDerWaalsContact C-N 3.33Å; R1261-S1263 PolarHBondContact O-N 2.81Å; R1261-C1264 PolarHBondContact O-N 3.18Å; R1261-L1265 HydrophobicContact CG-CD1 3.88Å; R1261-L1265 VanDerWaalsContact O-CG 3.24Å; R1261-L1265 WeakPolarHBondContact O-CG 3.41Å; R1261-L1265 PolarHBondContact O-N 2.72Å; R1261-L1265 VanDerWaalsContact O-N 3.08Å; R1261-L1309 HydrophobicContact CB-CD1 4.42Å; R1261-L1309 HydrophobicContact CB-CG 4.41Å; R1261-L1309 WeakPolarHBondContact CD-O 3.1Å; R1261-L1309 PolarHBondContact NH1-O 2.81Å; R1261-L1310 HydrophobicContact CB-CD2 4.49Å; R1261-L1310 HydrophobicContact CG-CD2 4.43Å; R1261-L1310 PolarHBondContact NH1-O 2.88Å; R1261-L1311 VanDerWaalsContact NH1-C 3.31Å; R1261-L1311 PolarHBondContact NH2-O 3.4Å; R1261-D1313 IonicContact CZ-OD1 2.76Å; R1261-D1313 IonicContact NE-OD1 3.76Å; R1261-D1313 PolarHBondContact NE-OD1 3.43Å; R1261-D1313 IonicContact NH2-OD1 3.4Å; R1261-D1313 PolarHBondContact NH2-OD1 3.35Å |
| 1262 | A | 71.1 | Confident | 68.7 | Low | 57 Ų | 57 | 44.5 Ų | 44.5 | 47% | 0.471 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1258 V1260 L1265 K1266 | N1258-A1262 PolarHBondContact O-N 3.18Å; N1258-A1262 VanDerWaalsContact O-N 3.09Å; V1260-A1262 PolarHBondContact O-N 3.1Å; A1262-L1265 PolarHBondContact O-N 3.13Å; A1262-K1266 WeakPolarHBondContact O-CB 3.38Å; A1262-K1266 PolarHBondContact O-N 2.92Å |
| 1263 | S | 70.4 | Confident | 68.1 | Low | 15 Ų | 15 | 44.3 Ų | 44.3 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.8 | -44.9 | -179.4 | -57.7 | 0 | 0 | 0 | 0 | 112.6 | R1223 Q1259 V1260 R1261 K1266 K1267 | R1223-S1263 WeakPolarHBondContact CD-OG 3.42Å; R1223-S1263 WeakPolarHBondContact CG-OG 3.45Å; R1223-S1263 PolarHBondContact NE-OG 3.31Å; Q1259-S1263 WeakPolarHBondContact O-CB 3.39Å; Q1259-S1263 PolarHBondContact O-N 2.98Å; Q1259-S1263 PolarHBondContact O-OG 3.35Å; V1260-S1263 PolarHBondContact O-N 2.75Å; R1261-S1263 VanDerWaalsContact C-N 3.33Å; R1261-S1263 PolarHBondContact O-N 2.81Å; S1263-K1266 PolarHBondContact O-N 3.2Å; S1263-K1267 PolarHBondContact O-N 3.03Å; S1263-K1267 VanDerWaalsContact O-N 3.09Å |
| 1264 | C | 73.7 | Confident | 68.1 | Low | 7 Ų | 7 | 45.8 Ų | 45.8 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 176.9 | -69.9 | 0 | 0 | 0 | 0 | 111.8 | V1260 R1261 K1267 L1268 L1310 | V1260-C1264 PolarHBondContact O-N 2.72Å; V1260-C1264 PolarHBondContact O-SG 2.97Å; V1260-C1264 VanDerWaalsContact O-SG 3.42Å; R1261-C1264 PolarHBondContact O-N 3.18Å; C1264-K1267 PolarHBondContact O-N 3.41Å; C1264-L1268 WeakPolarHBondContact O-CG 3.3Å; C1264-L1268 PolarHBondContact O-N 3.37Å; C1264-L1310 HydrophobicContact CB-CD2 3.95Å |
| 1265 | L | 74.9 | Confident | 68 | Low | 13 Ų | 13 | 45 Ų | 45 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 176.4 | -66.6 | 168.6 | 0 | 0 | 0 | 111.5 | R1261 A1262 K1267 L1268 V1269 L1310 C1339 | R1261-L1265 HydrophobicContact CG-CD1 3.88Å; R1261-L1265 VanDerWaalsContact O-CG 3.24Å; R1261-L1265 WeakPolarHBondContact O-CG 3.41Å; R1261-L1265 PolarHBondContact O-N 2.72Å; R1261-L1265 VanDerWaalsContact O-N 3.08Å; A1262-L1265 PolarHBondContact O-N 3.13Å; L1265-K1267 VanDerWaalsContact C-N 3.33Å; L1265-K1267 PolarHBondContact O-N 3.05Å; L1265-L1268 PolarHBondContact O-N 3.18Å; L1265-V1269 WeakPolarHBondContact O-CG2 3.44Å; L1265-V1269 PolarHBondContact O-N 2.68Å; L1265-V1269 VanDerWaalsContact O-N 3.1Å; L1265-L1310 HydrophobicContact CD2-CD2 4.37Å; L1265-L1310 HydrophobicContact CG-CD2 4.19Å; L1265-C1339 HydrophobicContact CD2-CB 3.89Å |
| 1266 | K | 72.9 | Confident | 68.3 | Low | 112 Ų | 112 | 43.8 Ų | 43.8 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.1 | -42.8 | 176.1 | -176.6 | 167.4 | 174 | 171.6 | 0 | 112.1 | D84 A1262 S1263 S1270 | D84-K1266 IonicContact OD1-NZ 2.78Å; D84-K1266 PolarHBondContact OD1-NZ 3.31Å; D84-K1266 WeakPolarHBondContact OD2-CD 3.34Å; D84-K1266 IonicContact OD2-NZ 2.78Å; D84-K1266 PolarHBondContact OD2-NZ 3.46Å; A1262-K1266 WeakPolarHBondContact O-CB 3.38Å; A1262-K1266 PolarHBondContact O-N 2.92Å; S1263-K1266 PolarHBondContact O-N 3.2Å; K1266-S1270 WeakPolarHBondContact O-CB 3.5Å; K1266-S1270 PolarHBondContact O-N 3.12Å |
| 1267 | K | 71.5 | Confident | 68.8 | Low | 17 Ų | 17 | 41.8 Ų | 41.8 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -43.3 | 175.5 | -73.1 | -142.1 | 154.6 | 178.6 | 0 | 113.2 | L1222 S1231 S1263 C1264 L1265 V1269 S1270 E1273 V1277 R1278 L1281 | L1222-K1267 WeakPolarHBondContact O-CD 3.24Å; L1222-K1267 WeakPolarHBondContact O-CE 3.48Å; L1222-K1267 PolarHBondContact O-NZ 3.08Å; S1231-K1267 PolarHBondContact OG-NZ 3.22Å; S1263-K1267 PolarHBondContact O-N 3.03Å; S1263-K1267 VanDerWaalsContact O-N 3.09Å; C1264-K1267 PolarHBondContact O-N 3.41Å; L1265-K1267 VanDerWaalsContact C-N 3.33Å; L1265-K1267 PolarHBondContact O-N 3.05Å; K1267-V1269 VanDerWaalsContact C-N 3.34Å; K1267-V1269 PolarHBondContact O-N 3.12Å; K1267-S1270 PolarHBondContact O-N 3.13Å; K1267-S1270 PolarHBondContact O-OG 3.08Å; K1267-E1273 WeakPolarHBondContact CD-OE2 3.26Å; K1267-E1273 WeakPolarHBondContact CE-OE2 3.37Å; K1267-E1273 WeakPolarHBondContact CG-OE2 3.42Å; K1267-E1273 IonicContact NZ-OE2 2.77Å; K1267-V1277 HydrophobicContact CD-CG1 4.15Å; K1267-R1278 WeakPolarHBondContact O-CD 3.38Å; K1267-R1278 WeakPolarHBondContact O-CG 3.33Å; K1267-L1281 HydrophobicContact CB-CD1 3.97Å |
| 1268 | L | 71.2 | Confident | 69.3 | Low | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 178.5 | -69.3 | 169.1 | 0 | 0 | 0 | 112.6 | C1264 L1265 R1278 L1281 Y1282 L1285 C1342 T1346 | C1264-L1268 WeakPolarHBondContact O-CG 3.3Å; C1264-L1268 PolarHBondContact O-N 3.37Å; L1265-L1268 PolarHBondContact O-N 3.18Å; L1268-R1278 VanDerWaalsContact O-CD 3.31Å; L1268-R1278 WeakPolarHBondContact O-CD 3.43Å; L1268-L1281 HydrophobicContact CD2-CB 3.68Å; L1268-L1281 HydrophobicContact CD2-CD1 4.27Å; L1268-L1281 HydrophobicContact CG-CD1 4.49Å; L1268-Y1282 HydrophobicContact CD2-CD1 4.27Å; L1268-Y1282 HydrophobicContact CD2-CD2 4.04Å; L1268-Y1282 HydrophobicContact CD2-CE1 3.98Å; L1268-Y1282 HydrophobicContact CD2-CE2 3.74Å; L1268-Y1282 HydrophobicContact CD2-CG 4.29Å; L1268-L1285 HydrophobicContact CD1-CD1 4.3Å; L1268-C1342 HydrophobicContact CB-CB 3.93Å; L1268-T1346 WeakPolarHBondContact O-CG2 3.43Å |
| 1269 | V | 72.1 | Confident | 69.9 | Low | 63 Ų | 63 | 38.2 Ų | 38.2 | 38% | 0.382 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -76.9 | -24.4 | 178 | 178.5 | 0 | 0 | 0 | 0 | 112.8 | L1265 K1267 T1271 C1342 | L1265-V1269 WeakPolarHBondContact O-CG2 3.44Å; L1265-V1269 PolarHBondContact O-N 2.68Å; L1265-V1269 VanDerWaalsContact O-N 3.1Å; K1267-V1269 VanDerWaalsContact C-N 3.34Å; K1267-V1269 PolarHBondContact O-N 3.12Å; V1269-T1271 PolarHBondContact O-N 3.44Å; V1269-C1342 HydrophobicContact CG2-CB 4Å; V1269-C1342 WeakPolarHBondContact CG2-SG 3.25Å |
| 1270 | S | 67.8 | Low | 70.4 | Confident | 20 Ų | 20 | 35 Ų | 35 | 14% | 0.14 | 20% | 0.2 | C | C | . | . | trans | -66.6 | 117.3 | -170.6 | 70 | 0 | 0 | 0 | 0 | 113.7 | K1266 K1267 E1273 R1278 | K1266-S1270 WeakPolarHBondContact O-CB 3.5Å; K1266-S1270 PolarHBondContact O-N 3.12Å; K1267-S1270 PolarHBondContact O-N 3.13Å; K1267-S1270 PolarHBondContact O-OG 3.08Å; S1270-E1273 WeakPolarHBondContact OG-CB 3.44Å; S1270-E1273 WeakPolarHBondContact OG-CG 3.38Å; S1270-E1273 PolarHBondContact OG-OE2 2.95Å; S1270-R1278 WeakPolarHBondContact O-CD 3.34Å; S1270-R1278 PolarHBondContact O-NE 2.94Å | ||
| 1271 | T | 59.5 | Low | 71 | Confident | 87 Ų | 87 | 35.2 Ų | 35.2 | 53% | 0.534 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -79.5 | -19.1 | 176.3 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | V1269 E1349 | V1269-T1271 PolarHBondContact O-N 3.44Å; T1271-E1349 HydrophobicContact CG2-CG 4.45Å |
| 1272 | T | 51.5 | Low | 71.5 | Confident | 76 Ų | 76 | 34.5 Ų | 34.5 | 47% | 0.466 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -102.9 | 1.4 | -174 | 69.5 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1273 | E | 57.3 | Low | 72 | Confident | 68 Ų | 68 | 32.6 Ų | 32.6 | 32% | 0.318 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -98.9 | 167.9 | 171.8 | -60.8 | -165.7 | 146.5 | 0 | 0 | 111.2 | K1267 S1270 Q1275 | K1267-E1273 WeakPolarHBondContact CD-OE2 3.26Å; K1267-E1273 WeakPolarHBondContact CE-OE2 3.37Å; K1267-E1273 WeakPolarHBondContact CG-OE2 3.42Å; K1267-E1273 IonicContact NZ-OE2 2.77Å; S1270-E1273 WeakPolarHBondContact OG-CB 3.44Å; S1270-E1273 WeakPolarHBondContact OG-CG 3.38Å; S1270-E1273 PolarHBondContact OG-OE2 2.95Å; E1273-Q1275 PolarHBondContact O-N 3.02Å; E1273-Q1275 VanDerWaalsContact O-N 3.14Å |
| 1274 | D | 64.6 | Low | 72.7 | Confident | 35 Ų | 35 | 32 Ų | 32 | 19% | 0.187 | 18% | 0.175 | C | C | . | . | trans | -55.5 | 116.8 | -178.7 | 172.9 | 48.9 | 0 | 0 | 0 | 112.7 | V1228 R1232 L1276 V1277 R1278 | V1228-D1274 HydrophobicContact CG1-CB 3.5Å; V1228-D1274 VanDerWaalsContact CG1-CB 3.5Å; V1228-D1274 VanDerWaalsContact CG1-OD2 3.24Å; V1228-D1274 WeakPolarHBondContact CG1-OD2 3.35Å; V1228-D1274 HydrophobicContact CG2-CB 4.31Å; R1232-D1274 IonicContact CZ-OD1 3.2Å; R1232-D1274 IonicContact CZ-OD2 3.49Å; R1232-D1274 IonicContact NE-OD1 2.8Å; R1232-D1274 IonicContact NE-OD2 2.68Å; R1232-D1274 PolarHBondContact NE-OD2 3.46Å; R1232-D1274 IonicContact NH2-OD1 2.7Å; R1232-D1274 PolarHBondContact NH2-OD1 3.4Å; R1232-D1274 IonicContact NH2-OD2 2.68Å; R1232-D1274 PolarHBondContact NH2-OD2 3.42Å; D1274-L1276 PolarHBondContact O-N 3.1Å; D1274-L1276 PolarHBondContact OD1-N 3.22Å; D1274-L1276 WeakPolarHBondContact OD2-CB 3.13Å; D1274-V1277 HydrophobicContact CB-CG2 4.3Å; D1274-V1277 WeakPolarHBondContact O-CB 3.47Å; D1274-V1277 PolarHBondContact O-N 3.36Å; D1274-V1277 WeakPolarHBondContact OD2-CG2 3.33Å; D1274-V1277 PolarHBondContact OD2-N 3.02Å; D1274-R1278 PolarHBondContact O-N 3.03Å | ||
| 1275 | Q | 68.8 | Low | 73.2 | Confident | 45 Ų | 45 | 31.9 Ų | 31.9 | 21% | 0.21 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.8 | -27.1 | -179.9 | -68.4 | 173.8 | 35.1 | 0 | 0 | 112.3 | E1273 V1277 R1278 V1279 L1370 | E1273-Q1275 PolarHBondContact O-N 3.02Å; E1273-Q1275 VanDerWaalsContact O-N 3.14Å; Q1275-V1277 VanDerWaalsContact C-N 3.34Å; Q1275-V1277 PolarHBondContact O-N 3.27Å; Q1275-R1278 WeakPolarHBondContact O-CB 3.22Å; Q1275-R1278 PolarHBondContact O-N 2.99Å; Q1275-R1278 VanDerWaalsContact O-N 3.15Å; Q1275-V1279 WeakPolarHBondContact O-CG2 3.44Å; Q1275-V1279 PolarHBondContact O-N 3.47Å; Q1275-L1370 HydrophobicContact CB-CD2 3.32Å; Q1275-L1370 HydrophobicContact CG-CD2 4.31Å |
| 1276 | L | 71 | Confident | 73.6 | Confident | 67 Ų | 67 | 31.3 Ų | 31.3 | 35% | 0.351 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -69.5 | -27.7 | 175.3 | -67.5 | 176.7 | 0 | 0 | 0 | 113.3 | D1274 G1280 L1370 | D1274-L1276 PolarHBondContact O-N 3.1Å; D1274-L1276 PolarHBondContact OD1-N 3.22Å; D1274-L1276 WeakPolarHBondContact OD2-CB 3.13Å; L1276-G1280 PolarHBondContact O-N 3.11Å; L1276-L1370 HydrophobicContact CD1-CD1 4.42Å; L1276-L1370 HydrophobicContact CD2-CD1 3.96Å; L1276-L1370 HydrophobicContact CD2-CD2 4.13Å; L1276-L1370 HydrophobicContact CD2-CG 4.06Å; L1276-L1370 HydrophobicContact CG-CD1 4.11Å; L1276-L1370 HydrophobicContact CG-CD2 4.19Å; L1276-L1370 HydrophobicContact CG-CG 4.47Å |
| 1277 | V | 74.7 | Confident | 74 | Confident | 6 Ų | 6 | 26.7 Ų | 26.7 | 4% | 0.036 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.4 | -39.4 | 168.5 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | R1232 V1235 K1267 D1274 Q1275 G1280 L1281 | R1232-V1277 HydrophobicContact CG-CG2 3.8Å; V1235-V1277 HydrophobicContact CG2-CG1 4.45Å; K1267-V1277 HydrophobicContact CD-CG1 4.15Å; D1274-V1277 HydrophobicContact CB-CG2 4.3Å; D1274-V1277 WeakPolarHBondContact O-CB 3.47Å; D1274-V1277 PolarHBondContact O-N 3.36Å; D1274-V1277 WeakPolarHBondContact OD2-CG2 3.33Å; D1274-V1277 PolarHBondContact OD2-N 3.02Å; Q1275-V1277 VanDerWaalsContact C-N 3.34Å; Q1275-V1277 PolarHBondContact O-N 3.27Å; V1277-G1280 PolarHBondContact O-N 3.29Å; V1277-L1281 HydrophobicContact CG1-CD1 4.05Å; V1277-L1281 HydrophobicContact CG1-CG 4.44Å; V1277-L1281 VanDerWaalsContact O-CG 3.31Å; V1277-L1281 WeakPolarHBondContact O-CG 3.33Å; V1277-L1281 PolarHBondContact O-N 3.39Å |
| 1278 | R | 80.7 | Confident | 74.3 | Confident | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.3 | -47 | 175 | -63.3 | -159.7 | -79.4 | 157.3 | -7.8 | 111.8 | K1267 L1268 S1270 D1274 Q1275 G1280 L1281 Y1282 E1349 L1374 | K1267-R1278 WeakPolarHBondContact O-CD 3.38Å; K1267-R1278 WeakPolarHBondContact O-CG 3.33Å; L1268-R1278 VanDerWaalsContact O-CD 3.31Å; L1268-R1278 WeakPolarHBondContact O-CD 3.43Å; S1270-R1278 WeakPolarHBondContact O-CD 3.34Å; S1270-R1278 PolarHBondContact O-NE 2.94Å; D1274-R1278 PolarHBondContact O-N 3.03Å; Q1275-R1278 WeakPolarHBondContact O-CB 3.22Å; Q1275-R1278 PolarHBondContact O-N 2.99Å; Q1275-R1278 VanDerWaalsContact O-N 3.15Å; R1278-G1280 PolarHBondContact O-N 3.43Å; R1278-L1281 PolarHBondContact O-N 2.66Å; R1278-Y1282 VanDerWaalsContact O-CD2 3.27Å; R1278-Y1282 WeakPolarHBondContact O-CD2 3.26Å; R1278-Y1282 PolarHBondContact O-N 2.68Å; R1278-Y1282 VanDerWaalsContact O-N 3.1Å; R1278-E1349 IonicContact CZ-OE2 3.71Å; R1278-E1349 IonicContact NH1-OE2 3.32Å; R1278-E1349 PolarHBondContact NH1-OE2 2.86Å; R1278-E1349 IonicContact NH2-OE1 2.68Å; R1278-E1349 PolarHBondContact NH2-OE1 3.21Å; R1278-E1349 IonicContact NH2-OE2 2.93Å; R1278-E1349 PolarHBondContact NH2-OE2 3.25Å; R1278-L1374 HydrophobicContact CB-CD1 3.98Å |
| 1279 | V | 80.2 | Confident | 74.6 | Confident | 12 Ų | 12 | 27 Ų | 27 | 7% | 0.073 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -51 | -56.8 | 171.4 | 169.4 | 0 | 0 | 0 | 0 | 110.3 | Q1275 L1281 Y1282 D1283 V1373 L1374 | Q1275-V1279 WeakPolarHBondContact O-CG2 3.44Å; Q1275-V1279 PolarHBondContact O-N 3.47Å; V1279-L1281 VanDerWaalsContact C-N 3.27Å; V1279-L1281 PolarHBondContact O-N 2.99Å; V1279-Y1282 PolarHBondContact O-N 3.44Å; V1279-D1283 WeakPolarHBondContact O-CB 3.2Å; V1279-D1283 PolarHBondContact O-N 2.87Å; V1279-V1373 HydrophobicContact CB-CG1 4.49Å; V1279-V1373 HydrophobicContact CG1-CG1 3.71Å; V1279-V1373 HydrophobicContact CG2-CG1 3.9Å; V1279-L1374 HydrophobicContact CG2-CB 4.08Å; V1279-L1374 HydrophobicContact CG2-CD1 4.04Å |
| 1280 | G | 79.2 | Confident | 74.8 | Confident | 15 Ų | 15 | 27.2 Ų | 27.2 | 16% | 0.155 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.3 | -32.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V1235 L1276 V1277 R1278 D1283 L1284 | V1235-G1280 VanDerWaalsContact CG1-O 3.22Å; V1235-G1280 WeakPolarHBondContact CG1-O 3.47Å; L1276-G1280 PolarHBondContact O-N 3.11Å; V1277-G1280 PolarHBondContact O-N 3.29Å; R1278-G1280 PolarHBondContact O-N 3.43Å; G1280-D1283 PolarHBondContact O-N 3.49Å; G1280-L1284 WeakPolarHBondContact O-CB 3.42Å; G1280-L1284 PolarHBondContact O-N 3.49Å |
| 1281 | L | 82.8 | Confident | 75.1 | Confident | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.2 | -42.4 | 176.6 | -73.8 | 170.5 | 0 | 0 | 0 | 112 | L1222 V1235 K1267 L1268 V1277 R1278 V1279 D1283 L1284 L1285 | L1222-L1281 HydrophobicContact CD1-CD2 4.3Å; V1235-L1281 HydrophobicContact CG1-CD2 4.37Å; V1235-L1281 HydrophobicContact CG1-CG 4.43Å; V1235-L1281 HydrophobicContact CG2-CD2 3.77Å; V1235-L1281 HydrophobicContact CG2-CG 4.04Å; K1267-L1281 HydrophobicContact CB-CD1 3.97Å; L1268-L1281 HydrophobicContact CD2-CB 3.68Å; L1268-L1281 HydrophobicContact CD2-CD1 4.27Å; L1268-L1281 HydrophobicContact CG-CD1 4.49Å; V1277-L1281 HydrophobicContact CG1-CD1 4.05Å; V1277-L1281 HydrophobicContact CG1-CG 4.44Å; V1277-L1281 VanDerWaalsContact O-CG 3.31Å; V1277-L1281 WeakPolarHBondContact O-CG 3.33Å; V1277-L1281 PolarHBondContact O-N 3.39Å; R1278-L1281 PolarHBondContact O-N 2.66Å; V1279-L1281 VanDerWaalsContact C-N 3.27Å; V1279-L1281 PolarHBondContact O-N 2.99Å; L1281-D1283 VanDerWaalsContact C-N 3.29Å; L1281-D1283 PolarHBondContact O-N 3.08Å; L1281-L1284 HydrophobicContact CD2-CD2 4.34Å; L1281-L1284 PolarHBondContact O-N 3.05Å; L1281-L1285 VanDerWaalsContact O-CG 3.27Å; L1281-L1285 WeakPolarHBondContact O-CG 3.44Å; L1281-L1285 PolarHBondContact O-N 3.38Å |
| 1282 | Y | 85.5 | Confident | 75.5 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.1 | -37 | 171.7 | -75.5 | -62.1 | 0 | 0 | 0 | 112 | L1268 R1278 V1279 L1285 S1286 C1342 V1343 T1346 L1374 V1378 | L1268-Y1282 HydrophobicContact CD2-CD1 4.27Å; L1268-Y1282 HydrophobicContact CD2-CD2 4.04Å; L1268-Y1282 HydrophobicContact CD2-CE1 3.98Å; L1268-Y1282 HydrophobicContact CD2-CE2 3.74Å; L1268-Y1282 HydrophobicContact CD2-CG 4.29Å; R1278-Y1282 VanDerWaalsContact O-CD2 3.27Å; R1278-Y1282 WeakPolarHBondContact O-CD2 3.26Å; R1278-Y1282 PolarHBondContact O-N 2.68Å; R1278-Y1282 VanDerWaalsContact O-N 3.1Å; V1279-Y1282 PolarHBondContact O-N 3.44Å; Y1282-L1285 HydrophobicContact CD1-CD1 4.36Å; Y1282-L1285 PolarHBondContact O-N 2.97Å; Y1282-S1286 PolarHBondContact O-N 3.47Å; Y1282-C1342 PolarHBondContact OH-O 3.42Å; Y1282-V1343 HydrophobicContact CD1-CG2 4.47Å; Y1282-V1343 HydrophobicContact CE1-CG2 3.68Å; Y1282-T1346 HydrophobicContact CE2-CG2 4.29Å; Y1282-T1346 PolarHBondContact OH-OG1 3.12Å; Y1282-L1374 HydrophobicContact CD2-CD1 4.09Å; Y1282-L1374 HydrophobicContact CE2-CD1 4.3Å; Y1282-V1378 HydrophobicContact CD1-CG2 4.11Å; Y1282-V1378 HydrophobicContact CD2-CG2 3.56Å; Y1282-V1378 HydrophobicContact CE1-CG2 4.18Å; Y1282-V1378 HydrophobicContact CE2-CG2 3.62Å; Y1282-V1378 HydrophobicContact CG-CG2 3.82Å |
| 1283 | D | 82.4 | Confident | 75.9 | Confident | 17 Ų | 17 | 27.5 Ų | 27.5 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65 | -46.4 | 176.8 | -145.9 | 12.8 | 0 | 0 | 0 | 111.1 | K1239 V1279 G1280 L1281 L1285 S1286 E1287 K1380 | K1239-D1283 HydrophobicContact CD-CB 4.48Å; K1239-D1283 VanDerWaalsContact NZ-CG 3.28Å; K1239-D1283 IonicContact NZ-OD1 2.84Å; K1239-D1283 IonicContact NZ-OD2 3.79Å; K1239-D1283 PolarHBondContact NZ-OD2 2.7Å; V1279-D1283 WeakPolarHBondContact O-CB 3.2Å; V1279-D1283 PolarHBondContact O-N 2.87Å; G1280-D1283 PolarHBondContact O-N 3.49Å; L1281-D1283 VanDerWaalsContact C-N 3.29Å; L1281-D1283 PolarHBondContact O-N 3.08Å; D1283-L1285 VanDerWaalsContact C-N 3.34Å; D1283-L1285 PolarHBondContact O-N 3.3Å; D1283-S1286 PolarHBondContact O-N 3.38Å; D1283-S1286 VanDerWaalsContact O-N 3.15Å; D1283-S1286 PolarHBondContact O-OG 3.09Å; D1283-E1287 WeakPolarHBondContact O-CG 3.4Å; D1283-E1287 PolarHBondContact O-N 2.76Å; D1283-K1380 IonicContact OD1-NZ 2.63Å; D1283-K1380 PolarHBondContact OD1-NZ 2.92Å |
| 1284 | L | 83.7 | Confident | 75.9 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -54.5 | -45.8 | 169.7 | 167.5 | 64.2 | 0 | 0 | 0 | 111.8 | L1238 K1239 T1242 G1280 L1281 S1286 E1287 T1288 L1306 | L1238-L1284 HydrophobicContact CB-CD1 4.29Å; L1238-L1284 HydrophobicContact CB-CD2 4.17Å; K1239-L1284 HydrophobicContact CB-CB 4.44Å; K1239-L1284 HydrophobicContact CB-CD1 4.37Å; T1242-L1284 HydrophobicContact CG2-CD1 3.85Å; G1280-L1284 WeakPolarHBondContact O-CB 3.42Å; G1280-L1284 PolarHBondContact O-N 3.49Å; L1281-L1284 HydrophobicContact CD2-CD2 4.34Å; L1281-L1284 PolarHBondContact O-N 3.05Å; L1284-S1286 VanDerWaalsContact C-N 3.34Å; L1284-S1286 PolarHBondContact O-N 3.45Å; L1284-E1287 PolarHBondContact O-N 2.96Å; L1284-T1288 HydrophobicContact CD1-CG2 3.94Å; L1284-T1288 HydrophobicContact CG-CG2 4.37Å; L1284-T1288 WeakPolarHBondContact O-CG2 3.17Å; L1284-T1288 PolarHBondContact O-N 2.93Å; L1284-L1306 HydrophobicContact CD2-CD2 3.99Å; L1284-L1306 HydrophobicContact CG-CD2 4.1Å |
| 1285 | L | 84.3 | Confident | 75.2 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.3 | -41.8 | 177 | -69 | 169.8 | 0 | 0 | 0 | 111.6 | L1268 L1281 Y1282 D1283 E1287 T1288 V1289 L1306 L1310 F1381 | L1268-L1285 HydrophobicContact CD1-CD1 4.3Å; L1281-L1285 VanDerWaalsContact O-CG 3.27Å; L1281-L1285 WeakPolarHBondContact O-CG 3.44Å; L1281-L1285 PolarHBondContact O-N 3.38Å; Y1282-L1285 HydrophobicContact CD1-CD1 4.36Å; Y1282-L1285 PolarHBondContact O-N 2.97Å; D1283-L1285 VanDerWaalsContact C-N 3.34Å; D1283-L1285 PolarHBondContact O-N 3.3Å; L1285-E1287 PolarHBondContact O-N 2.73Å; L1285-T1288 PolarHBondContact O-N 3.31Å; L1285-T1288 PolarHBondContact O-OG1 3.25Å; L1285-V1289 WeakPolarHBondContact O-CG2 3.24Å; L1285-V1289 PolarHBondContact O-N 3.1Å; L1285-V1289 VanDerWaalsContact O-N 3.08Å; L1285-L1306 HydrophobicContact CD2-CD2 4.22Å; L1285-L1306 HydrophobicContact CD2-CG 4.38Å; L1285-L1310 HydrophobicContact CD2-CD1 3.55Å; L1285-F1381 HydrophobicContact CB-CD2 3.68Å; L1285-F1381 HydrophobicContact CB-CE2 3.78Å; L1285-F1381 HydrophobicContact CB-CG 4.37Å |
| 1286 | S | 84.5 | Confident | 74.3 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.6 | -43.5 | 176 | 80.7 | 0 | 0 | 0 | 0 | 112.2 | Y1282 D1283 L1284 V1289 L1290 K1380 | Y1282-S1286 PolarHBondContact O-N 3.47Å; D1283-S1286 PolarHBondContact O-N 3.38Å; D1283-S1286 VanDerWaalsContact O-N 3.15Å; D1283-S1286 PolarHBondContact O-OG 3.09Å; L1284-S1286 VanDerWaalsContact C-N 3.34Å; L1284-S1286 PolarHBondContact O-N 3.45Å; S1286-V1289 PolarHBondContact O-N 2.93Å; S1286-L1290 VanDerWaalsContact O-CG 3.32Å; S1286-L1290 WeakPolarHBondContact O-CG 3.45Å; S1286-L1290 PolarHBondContact O-N 3.02Å; S1286-K1380 WeakPolarHBondContact OG-CE 3.5Å; S1286-K1380 PolarHBondContact OG-NZ 3.4Å |
| 1287 | E | 80.9 | Confident | 73.1 | Confident | 16 Ų | 16 | 33.8 Ų | 33.8 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.8 | -38.2 | 176.4 | -59.7 | -54.5 | 149.6 | 0 | 0 | 112 | K1239 D1283 L1284 L1285 V1289 L1290 N1291 K1380 | K1239-E1287 HydrophobicContact CD-CG 4.24Å; K1239-E1287 VanDerWaalsContact CE-CG 3.41Å; K1239-E1287 HydrophobicContact CG-CG 3.84Å; D1283-E1287 WeakPolarHBondContact O-CG 3.4Å; D1283-E1287 PolarHBondContact O-N 2.76Å; L1284-E1287 PolarHBondContact O-N 2.96Å; L1285-E1287 PolarHBondContact O-N 2.73Å; E1287-V1289 VanDerWaalsContact C-N 3.25Å; E1287-V1289 PolarHBondContact O-N 3.48Å; E1287-L1290 PolarHBondContact O-N 3.4Å; E1287-N1291 WeakPolarHBondContact O-CB 3.29Å; E1287-N1291 PolarHBondContact O-N 2.74Å; E1287-N1291 PolarHBondContact O-ND2 3.05Å; E1287-K1380 IonicContact OE1-NZ 3.7Å; E1287-K1380 PolarHBondContact OE1-NZ 3.28Å |
| 1288 | T | 78.4 | Confident | 71.8 | Confident | 22 Ų | 22 | 41.6 Ų | 41.6 | 14% | 0.135 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.9 | -31.9 | 176.7 | 67.5 | 0 | 0 | 0 | 0 | 112.6 | T1242 L1284 L1285 L1306 | T1242-T1288 HydrophobicContact CG2-CG2 3.74Å; L1284-T1288 HydrophobicContact CD1-CG2 3.94Å; L1284-T1288 HydrophobicContact CG-CG2 4.37Å; L1284-T1288 WeakPolarHBondContact O-CG2 3.17Å; L1284-T1288 PolarHBondContact O-N 2.93Å; L1285-T1288 PolarHBondContact O-N 3.31Å; L1285-T1288 PolarHBondContact O-OG1 3.25Å; T1288-L1306 HydrophobicContact CG2-CB 4.14Å; T1288-L1306 HydrophobicContact CG2-CD2 4.08Å |
| 1289 | V | 76.3 | Confident | 70 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.7 | -56 | 172.6 | 171.6 | 0 | 0 | 0 | 0 | 109.8 | L1285 S1286 E1287 N1291 S1292 L1307 F1381 S1384 L1385 L1388 I1390 | L1285-V1289 WeakPolarHBondContact O-CG2 3.24Å; L1285-V1289 PolarHBondContact O-N 3.1Å; L1285-V1289 VanDerWaalsContact O-N 3.08Å; S1286-V1289 PolarHBondContact O-N 2.93Å; E1287-V1289 VanDerWaalsContact C-N 3.25Å; E1287-V1289 PolarHBondContact O-N 3.48Å; V1289-N1291 VanDerWaalsContact C-N 3.26Å; V1289-N1291 PolarHBondContact O-N 3.2Å; V1289-S1292 WeakPolarHBondContact O-CB 3.35Å; V1289-S1292 PolarHBondContact O-N 3.46Å; V1289-S1292 PolarHBondContact O-OG 2.8Å; V1289-L1307 HydrophobicContact CG2-CD2 3.77Å; V1289-F1381 HydrophobicContact CG2-CD2 4.41Å; V1289-F1381 HydrophobicContact CG2-CE2 3.94Å; V1289-S1384 WeakPolarHBondContact CG1-OG 3.42Å; V1289-L1385 HydrophobicContact CG1-CD2 4.37Å; V1289-L1385 HydrophobicContact CG2-CD2 3.98Å; V1289-L1388 HydrophobicContact CG1-CD1 4.01Å; V1289-L1388 WeakPolarHBondContact O-CD1 3.46Å; V1289-I1390 HydrophobicContact CG1-CD1 4.02Å |
| 1290 | L | 77.8 | Confident | 68.4 | Low | 67 Ų | 67 | 49.7 Ų | 49.7 | 35% | 0.351 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.4 | -35.1 | -175.7 | -69.9 | 170.9 | 0 | 0 | 0 | 113.4 | S1286 E1287 S1292 L1387 | S1286-L1290 VanDerWaalsContact O-CG 3.32Å; S1286-L1290 WeakPolarHBondContact O-CG 3.45Å; S1286-L1290 PolarHBondContact O-N 3.02Å; E1287-L1290 PolarHBondContact O-N 3.4Å; L1290-S1292 VanDerWaalsContact C-N 3.34Å; L1290-L1387 HydrophobicContact CD2-CD2 4.33Å |
| 1291 | N | 73.2 | Confident | 67.4 | Low | 20 Ų | 20 | 57.4 Ų | 57.4 | 11% | 0.107 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -1.3 | -179.8 | -69.5 | -82.7 | 0 | 0 | 0 | 113.9 | Q1243 E1287 V1289 E1293 K1294 Y1295 | Q1243-N1291 PolarHBondContact O-OD1 2.83Å; E1287-N1291 WeakPolarHBondContact O-CB 3.29Å; E1287-N1291 PolarHBondContact O-N 2.74Å; E1287-N1291 PolarHBondContact O-ND2 3.05Å; V1289-N1291 VanDerWaalsContact C-N 3.26Å; V1289-N1291 PolarHBondContact O-N 3.2Å; N1291-E1293 PolarHBondContact O-N 3.47Å; N1291-E1293 VanDerWaalsContact O-N 3.15Å; N1291-K1294 HydrophobicContact CB-CD 4.34Å; N1291-K1294 WeakPolarHBondContact O-CB 3.43Å; N1291-K1294 PolarHBondContact O-N 2.85Å; N1291-K1294 VanDerWaalsContact O-N 3.11Å; N1291-K1294 WeakPolarHBondContact OD1-CE 3.11Å; N1291-K1294 PolarHBondContact OD1-NZ 3.21Å; N1291-Y1295 WeakPolarHBondContact O-CD2 3.45Å; N1291-Y1295 VanDerWaalsContact O-CE2 3.31Å; N1291-Y1295 WeakPolarHBondContact O-CE2 3.17Å |
| 1292 | S | 67.6 | Low | 66.3 | Low | 31 Ų | 31 | 59.5 Ų | 59.5 | 22% | 0.217 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -61.3 | -25.2 | -172.8 | 62 | 0 | 0 | 0 | 0 | 114.8 | V1289 L1290 K1294 Y1295 L1388 | V1289-S1292 WeakPolarHBondContact O-CB 3.35Å; V1289-S1292 PolarHBondContact O-N 3.46Å; V1289-S1292 PolarHBondContact O-OG 2.8Å; L1290-S1292 VanDerWaalsContact C-N 3.34Å; S1292-K1294 PolarHBondContact O-N 3.47Å; S1292-Y1295 PolarHBondContact O-N 3.19Å; S1292-L1388 WeakPolarHBondContact OG-CD1 3.42Å |
| 1293 | E | 59.5 | Low | 65.1 | Low | 139 Ų | 139 | 59.9 Ų | 59.9 | 65% | 0.65 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -63.9 | -22.2 | 176.6 | -60 | -166.5 | 145.1 | 0 | 0 | 113.7 | N1291 Y1295 L1388 | N1291-E1293 PolarHBondContact O-N 3.47Å; N1291-E1293 VanDerWaalsContact O-N 3.15Å; E1293-Y1295 PolarHBondContact O-N 2.93Å; E1293-L1388 HydrophobicContact CG-CD2 4.21Å |
| 1294 | K | 56.9 | Low | 64.2 | Low | 117 Ų | 117 | 62.2 Ų | 62.2 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -68.8 | -13.6 | 179.1 | -66.7 | 172 | 176.6 | 169.3 | 0 | 113.6 | Q1243 N1291 S1292 | Q1243-K1294 PolarHBondContact O-NZ 3.36Å; Q1243-K1294 VanDerWaalsContact O-NZ 3.08Å; N1291-K1294 HydrophobicContact CB-CD 4.34Å; N1291-K1294 WeakPolarHBondContact O-CB 3.43Å; N1291-K1294 PolarHBondContact O-N 2.85Å; N1291-K1294 VanDerWaalsContact O-N 3.11Å; N1291-K1294 WeakPolarHBondContact OD1-CE 3.11Å; N1291-K1294 PolarHBondContact OD1-NZ 3.21Å; S1292-K1294 PolarHBondContact O-N 3.47Å |
| 1295 | Y | 51.3 | Low | 63.6 | Low | 75 Ų | 75 | 62.6 Ų | 62.6 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -104.8 | -5 | -164.9 | -62.2 | -83.3 | 0 | 0 | 0 | 115.4 | S1246 V1247 D1248 N1291 S1292 E1293 | S1246-Y1295 WeakPolarHBondContact O-CE1 3.27Å; V1247-Y1295 VanDerWaalsContact C-CE1 3.47Å; V1247-Y1295 PolarHBondContact O-OH 2.89Å; V1247-Y1295 VanDerWaalsContact O-OH 3.06Å; D1248-Y1295 HydrophobicContact CB-CD1 4.09Å; D1248-Y1295 HydrophobicContact CB-CE1 3.99Å; N1291-Y1295 WeakPolarHBondContact O-CD2 3.45Å; N1291-Y1295 VanDerWaalsContact O-CE2 3.31Å; N1291-Y1295 WeakPolarHBondContact O-CE2 3.17Å; S1292-Y1295 PolarHBondContact O-N 3.19Å; E1293-Y1295 PolarHBondContact O-N 2.93Å |
| 1296 | G | 50 | Low | 63.1 | Low | 45 Ų | 45 | 62.9 Ų | 62.9 | 46% | 0.464 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 178.8 | 168.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1297 | P | 44.5 | Very low | 62.6 | Low | 109 Ų | 109 | 63 Ų | 63 | 71% | 0.708 | 35% | 0.345 | S | S | * | . | trans | -67.5 | 148.5 | 179.4 | 28.7 | -34.8 | 0 | 0 | 0 | 112.2 | S1299 | P1297-S1299 PolarHBondContact O-N 3.07Š| ||
| 1298 | I | 47.7 | Very low | 62.3 | Low | 170 Ų | 170 | 67.8 Ų | 67.8 | 87% | 0.872 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 4.1 | -164.2 | -61.3 | 154 | 0 | 0 | 0 | 115.7 | S1300 | I1298-S1300 PolarHBondContact O-N 3.09Š|
| 1299 | S | 42.5 | Very low | 62 | Low | 113 Ų | 113 | 67.7 Ų | 67.7 | 79% | 0.79 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -8.3 | -166.3 | 62.5 | 0 | 0 | 0 | 0 | 116.8 | P1297 | P1297-S1299 PolarHBondContact O-N 3.07Š|
| 1300 | S | 47.4 | Very low | 61.8 | Low | 71 Ų | 71 | 67.8 Ų | 67.8 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | trans | -128.1 | 107.7 | -176.1 | 61.4 | 0 | 0 | 0 | 0 | 114.4 | I1298 L1302 | I1298-S1300 PolarHBondContact O-N 3.09Å; S1300-L1302 PolarHBondContact O-N 2.95Å | ||
| 1301 | R | 58.7 | Low | 61.5 | Low | 177 Ų | 177 | 66 Ų | 66 | 67% | 0.668 | 35% | 0.352 | S | S | * | . | trans | -74.2 | 48.8 | 172.7 | -58 | -179.7 | -175.5 | 164.3 | -0.8 | 113.1 | ||||
| 1302 | L | 59.3 | Low | 61.1 | Low | 51 Ų | 51 | 67.3 Ų | 67.3 | 27% | 0.267 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -113.2 | 148.7 | -177.3 | -70.7 | 170.6 | 0 | 0 | 0 | 110.2 | S1300 V1304 L1323 | S1300-L1302 PolarHBondContact O-N 2.95Å; L1302-V1304 PolarHBondContact O-N 3.46Å; L1302-L1323 HydrophobicContact CD2-CD2 3.93Å |
| 1303 | P | 59.5 | Low | 60.4 | Low | 7 Ų | 7 | 69.7 Ų | 69.7 | 5% | 0.045 | 37% | 0.371 | C | S | . | . | trans | -64.9 | 135.1 | 172.3 | 27.7 | -33.8 | 0 | 0 | 0 | 110.8 | L1307 L1311 | P1303-L1307 HydrophobicContact CB-CD2 3.96Å; P1303-L1307 HydrophobicContact CB-CG 4.02Å; P1303-L1311 HydrophobicContact CB-CD1 3.98Å; P1303-L1311 HydrophobicContact CG-CD1 3.97Å | ||
| 1304 | V | 63.5 | Low | 59.8 | Low | 66 Ų | 66 | 63.9 Ų | 63.9 | 40% | 0.4 | 35% | 0.349 | S | S | . | . | trans | -118.3 | 163.1 | 179.5 | -171 | 0 | 0 | 0 | 0 | 109.2 | L1302 | L1302-V1304 PolarHBondContact O-N 3.46Š| ||
| 1305 | G | 71.1 | Confident | 59.4 | Low | 11 Ų | 11 | 64.8 Ų | 64.8 | 11% | 0.113 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | 55.4 | -140.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D1248 L1307 R1308 L1309 | D1248-G1305 WeakPolarHBondContact OD1-CA 3.35Å; D1248-G1305 VanDerWaalsContact OD2-CA 3.26Å; D1248-G1305 WeakPolarHBondContact OD2-CA 3.49Å; G1305-L1307 VanDerWaalsContact C-N 3.26Å; G1305-L1307 PolarHBondContact O-N 3.45Å; G1305-R1308 WeakPolarHBondContact O-CB 3.49Å; G1305-R1308 PolarHBondContact O-N 2.91Å; G1305-L1309 PolarHBondContact O-N 3.36Å |
| 1306 | L | 73.9 | Confident | 58.9 | Low | 10 Ų | 10 | 67 Ų | 67 | 5% | 0.052 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.9 | -36.1 | -171.5 | -172.6 | 63.3 | 0 | 0 | 0 | 113 | F1219 T1250 L1284 L1285 T1288 R1308 L1309 L1310 | F1219-L1306 HydrophobicContact CE1-CD1 4.38Å; F1219-L1306 HydrophobicContact CZ-CD1 4.24Å; T1250-L1306 HydrophobicContact CG2-CB 4.39Å; L1284-L1306 HydrophobicContact CD2-CD2 3.99Å; L1284-L1306 HydrophobicContact CG-CD2 4.1Å; L1285-L1306 HydrophobicContact CD2-CD2 4.22Å; L1285-L1306 HydrophobicContact CD2-CG 4.38Å; T1288-L1306 HydrophobicContact CG2-CB 4.14Å; T1288-L1306 HydrophobicContact CG2-CD2 4.08Å; L1306-R1308 PolarHBondContact O-N 3.4Å; L1306-L1309 PolarHBondContact O-N 3.46Å; L1306-L1310 HydrophobicContact CD1-CD1 4.21Å; L1306-L1310 HydrophobicContact CG-CD1 3.93Å; L1306-L1310 WeakPolarHBondContact O-CG 3.19Å; L1306-L1310 PolarHBondContact O-N 3.22Å |
| 1307 | L | 75.4 | Confident | 58.3 | Low | 4 Ų | 4 | 72.9 Ų | 72.9 | 2% | 0.021 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 175.3 | 179.6 | 62.4 | 0 | 0 | 0 | 111.8 | V1289 P1303 G1305 L1309 L1310 L1311 F1381 L1385 I1390 | V1289-L1307 HydrophobicContact CG2-CD2 3.77Å; P1303-L1307 HydrophobicContact CB-CD2 3.96Å; P1303-L1307 HydrophobicContact CB-CG 4.02Å; G1305-L1307 VanDerWaalsContact C-N 3.26Å; G1305-L1307 PolarHBondContact O-N 3.45Å; L1307-L1309 PolarHBondContact O-N 2.94Å; L1307-L1310 PolarHBondContact O-N 2.8Å; L1307-L1311 HydrophobicContact CD1-CD1 3.86Å; L1307-L1311 HydrophobicContact CD1-CG 4.09Å; L1307-L1311 HydrophobicContact CD2-CD1 4.46Å; L1307-L1311 HydrophobicContact CG-CD1 3.81Å; L1307-L1311 HydrophobicContact CG-CG 4.43Å; L1307-L1311 VanDerWaalsContact O-CG 3.26Å; L1307-L1311 WeakPolarHBondContact O-CG 3.48Å; L1307-L1311 PolarHBondContact O-N 2.9Å; L1307-F1381 HydrophobicContact CD1-CE2 4.23Å; L1307-F1381 HydrophobicContact CD1-CZ 3.89Å; L1307-L1385 HydrophobicContact CD2-CD2 3.69Å; L1307-I1390 HydrophobicContact CD2-CD1 4.48Å |
| 1308 | R | 73.2 | Confident | 57.9 | Low | 116 Ų | 116 | 70.3 Ų | 70.3 | 44% | 0.438 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 176 | -170.4 | 177 | 178 | 152.5 | -0.2 | 110.7 | G1305 L1306 L1310 L1311 T1312 D1320 | G1305-R1308 WeakPolarHBondContact O-CB 3.49Å; G1305-R1308 PolarHBondContact O-N 2.91Å; L1306-R1308 PolarHBondContact O-N 3.4Å; R1308-L1310 VanDerWaalsContact C-N 3.3Å; R1308-L1310 PolarHBondContact O-N 2.98Å; R1308-L1311 PolarHBondContact O-N 3.27Å; R1308-T1312 PolarHBondContact O-N 2.95Å; R1308-T1312 PolarHBondContact O-OG1 2.76Å; R1308-D1320 IonicContact NH2-OD1 3.29Å |
| 1309 | L | 71.8 | Confident | 57.4 | Low | 19 Ų | 19 | 66.4 Ų | 66.4 | 10% | 0.099 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.8 | -36.2 | 177.6 | 179.2 | 59.2 | 0 | 0 | 0 | 112.7 | T1250 L1253 R1261 G1305 L1306 L1307 L1311 | T1250-L1309 HydrophobicContact CG2-CB 4.29Å; T1250-L1309 HydrophobicContact CG2-CD2 4.37Å; L1253-L1309 HydrophobicContact CD1-CD2 3.47Å; L1253-L1309 VanDerWaalsContact CD1-CD2 3.47Å; R1261-L1309 HydrophobicContact CB-CD1 4.42Å; R1261-L1309 HydrophobicContact CB-CG 4.41Å; R1261-L1309 WeakPolarHBondContact CD-O 3.1Å; R1261-L1309 PolarHBondContact NH1-O 2.81Å; G1305-L1309 PolarHBondContact O-N 3.36Å; L1306-L1309 PolarHBondContact O-N 3.46Å; L1307-L1309 PolarHBondContact O-N 2.94Å; L1309-L1311 VanDerWaalsContact C-N 3.33Å |
| 1310 | L | 71.9 | Confident | 57.4 | Low | 5 Ų | 5 | 66.1 Ų | 66.1 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -84.2 | -4.8 | 179 | -68.1 | 168.9 | 0 | 0 | 0 | 114.1 | R1261 C1264 L1265 L1285 L1306 L1307 R1308 C1339 | R1261-L1310 HydrophobicContact CB-CD2 4.49Å; R1261-L1310 HydrophobicContact CG-CD2 4.43Å; R1261-L1310 PolarHBondContact NH1-O 2.88Å; C1264-L1310 HydrophobicContact CB-CD2 3.95Å; L1265-L1310 HydrophobicContact CD2-CD2 4.37Å; L1265-L1310 HydrophobicContact CG-CD2 4.19Å; L1285-L1310 HydrophobicContact CD2-CD1 3.55Å; L1306-L1310 HydrophobicContact CD1-CD1 4.21Å; L1306-L1310 HydrophobicContact CG-CD1 3.93Å; L1306-L1310 WeakPolarHBondContact O-CG 3.19Å; L1306-L1310 PolarHBondContact O-N 3.22Å; L1307-L1310 PolarHBondContact O-N 2.8Å; R1308-L1310 VanDerWaalsContact C-N 3.3Å; R1308-L1310 PolarHBondContact O-N 2.98Å; L1310-C1339 HydrophobicContact CB-CB 3.97Å; L1310-C1339 WeakPolarHBondContact O-CB 3.5Å; L1310-C1339 PolarHBondContact O-N 3.18Å |
| 1311 | L | 71.5 | Confident | 57.2 | Low | 29 Ų | 29 | 69.4 Ų | 69.4 | 15% | 0.152 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -100.7 | -45.1 | 169.2 | -67.5 | 169.9 | 0 | 0 | 0 | 113.1 | R1261 P1303 L1307 R1308 L1309 L1340 C1393 | R1261-L1311 VanDerWaalsContact NH1-C 3.31Å; R1261-L1311 PolarHBondContact NH2-O 3.4Å; P1303-L1311 HydrophobicContact CB-CD1 3.98Å; P1303-L1311 HydrophobicContact CG-CD1 3.97Å; L1307-L1311 HydrophobicContact CD1-CD1 3.86Å; L1307-L1311 HydrophobicContact CD1-CG 4.09Å; L1307-L1311 HydrophobicContact CD2-CD1 4.46Å; L1307-L1311 HydrophobicContact CG-CD1 3.81Å; L1307-L1311 HydrophobicContact CG-CG 4.43Å; L1307-L1311 VanDerWaalsContact O-CG 3.26Å; L1307-L1311 WeakPolarHBondContact O-CG 3.48Å; L1307-L1311 PolarHBondContact O-N 2.9Å; R1308-L1311 PolarHBondContact O-N 3.27Å; L1309-L1311 VanDerWaalsContact C-N 3.33Å; L1311-L1340 HydrophobicContact CD2-CD1 3.71Å; L1311-L1340 HydrophobicContact CD2-CD2 4.41Å; L1311-L1340 HydrophobicContact CD2-CG 3.76Å; L1311-C1393 VanDerWaalsContact CD1-SG 3.54Å |
| 1312 | T | 65.9 | Low | 56.5 | Low | 49 Ų | 49 | 67.7 Ų | 67.7 | 30% | 0.301 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -100.4 | 133.7 | -174.6 | 60.6 | 0 | 0 | 0 | 0 | 113.8 | R1308 G1314 L1323 | R1308-T1312 PolarHBondContact O-N 2.95Å; R1308-T1312 PolarHBondContact O-OG1 2.76Å; T1312-G1314 VanDerWaalsContact C-N 3.34Å; T1312-G1314 PolarHBondContact O-N 3.13Å; T1312-L1323 HydrophobicContact CG2-CD1 3.87Å |
| 1313 | D | 52.7 | Low | 55.8 | Low | 80 Ų | 80 | 68.6 Ų | 68.6 | 43% | 0.428 | 39% | 0.386 | S | S | . | . | trans | -68.9 | 82.9 | 170.8 | -81.8 | -7.1 | 0 | 0 | 0 | 111.9 | R1261 T1315 N1336 | R1261-D1313 IonicContact CZ-OD1 2.76Å; R1261-D1313 IonicContact NE-OD1 3.76Å; R1261-D1313 PolarHBondContact NE-OD1 3.43Å; R1261-D1313 IonicContact NH2-OD1 3.4Å; R1261-D1313 PolarHBondContact NH2-OD1 3.35Å; D1313-T1315 VanDerWaalsContact C-N 3.28Å; D1313-T1315 PolarHBondContact O-N 3.28Å; D1313-N1336 PolarHBondContact OD2-ND2 3.42Å | ||
| 1314 | G | 47.8 | Very low | 54.9 | Low | 17 Ų | 17 | 74.2 Ų | 74.2 | 18% | 0.175 | 42% | 0.416 | C | S | . | . | S | Bend | trans | 71 | -24.9 | 147.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | N1258 T1312 V1316 | N1258-G1314 WeakPolarHBondContact OD1-CA 3.02Å; N1258-G1314 PolarHBondContact OD1-N 2.92Å; T1312-G1314 VanDerWaalsContact C-N 3.34Å; T1312-G1314 PolarHBondContact O-N 3.13Å; G1314-V1316 VanDerWaalsContact C-N 3.35Å; G1314-V1316 PolarHBondContact O-N 2.98Å |
| 1315 | T | 47.8 | Very low | 53.9 | Low | 136 Ų | 136 | 79.6 Ų | 79.6 | 83% | 0.834 | 43% | 0.429 | S | S | * | . | trans | -80.3 | 78.9 | -171.6 | 65 | 0 | 0 | 0 | 0 | 112.5 | D1313 | D1313-T1315 VanDerWaalsContact C-N 3.28Å; D1313-T1315 PolarHBondContact O-N 3.28Å | ||
| 1316 | V | 40.9 | Very low | 52.4 | Low | 121 Ų | 121 | 86.6 Ų | 86.6 | 73% | 0.733 | 46% | 0.461 | S | S | * | . | trans | -66.3 | 157.4 | 164.9 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | G1314 | G1314-V1316 VanDerWaalsContact C-N 3.35Å; G1314-V1316 PolarHBondContact O-N 2.98Å | ||
| 1317 | I | 37.8 | Very low | 51 | Low | 169 Ų | 169 | 90.9 Ų | 90.9 | 87% | 0.867 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 70.7 | 83.5 | -178.4 | -41.4 | 175.1 | 0 | 0 | 0 | 113.9 | ||
| 1318 | G | 35.6 | Very low | 49 | Very low | 55 Ų | 55 | 94.5 Ų | 94.5 | 57% | 0.567 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 165.4 | 59.5 | 168 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||
| 1319 | S | 37.9 | Very low | 47 | Very low | 88 Ų | 88 | 94.4 Ų | 94.4 | 62% | 0.615 | 53% | 0.53 | S | S | * | . | trans | 65.9 | 129.4 | 168.1 | 74.8 | 0 | 0 | 0 | 0 | 118.4 | M1321 | S1319-M1321 PolarHBondContact O-N 3.4Å; S1319-M1321 VanDerWaalsContact O-N 3.11Å | ||
| 1320 | D | 41.5 | Very low | 45.2 | Very low | 107 Ų | 107 | 103.3 Ų | 103.3 | 57% | 0.572 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -0.3 | -174.2 | -51.6 | -78.7 | 0 | 0 | 0 | 114.9 | R1308 K1322 | R1308-D1320 IonicContact NH2-OD1 3.29Å; D1320-K1322 VanDerWaalsContact C-N 3.3Å; D1320-K1322 PolarHBondContact O-N 3.45Å |
| 1321 | M | 43.2 | Very low | 43.2 | Very low | 141 Ų | 141 | 108.2 Ų | 108.2 | 70% | 0.695 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -6.7 | -178.3 | -88 | -77.1 | -178.6 | 0 | 0 | 115.3 | S1319 | S1319-M1321 PolarHBondContact O-N 3.4Å; S1319-M1321 VanDerWaalsContact O-N 3.11Å |
| 1322 | K | 44.5 | Very low | 41.4 | Very low | 141 Ų | 141 | 115.2 Ų | 115.2 | 61% | 0.613 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -89.8 | -33.2 | -173.5 | -82.4 | -178.2 | 175.6 | 176.7 | 0 | 115.4 | D1320 N1324 R1325 M1326 | D1320-K1322 VanDerWaalsContact C-N 3.3Å; D1320-K1322 PolarHBondContact O-N 3.45Å; K1322-N1324 VanDerWaalsContact C-N 3.29Å; K1322-N1324 PolarHBondContact O-N 3.01Å; K1322-R1325 PolarHBondContact O-N 3.21Å; K1322-M1326 PolarHBondContact O-N 3.17Å |
| 1323 | L | 43.4 | Very low | 39.7 | Very low | 69 Ų | 69 | 120.5 Ų | 120.5 | 36% | 0.361 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -58.6 | -43.3 | -172.9 | -154.8 | 78.8 | 0 | 0 | 0 | 111.5 | L1302 T1312 R1325 P1392 | L1302-L1323 HydrophobicContact CD2-CD2 3.93Å; T1312-L1323 HydrophobicContact CG2-CD1 3.87Å; L1323-R1325 PolarHBondContact O-N 3.09Å; L1323-R1325 VanDerWaalsContact O-N 3.15Å; L1323-P1392 HydrophobicContact CD2-CB 4.49Å |
| 1324 | N | 42.1 | Very low | 39 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 67% | 0.668 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.1 | -1.5 | 178.8 | -65.9 | -6.5 | 0 | 0 | 0 | 114.7 | K1322 | K1322-N1324 VanDerWaalsContact C-N 3.29Å; K1322-N1324 PolarHBondContact O-N 3.01Å |
| 1325 | R | 41.6 | Very low | 38.9 | Very low | 179 Ų | 179 | 128.4 Ų | 128.4 | 68% | 0.675 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -110 | -28.7 | 179.3 | -64 | -167.8 | -170.2 | -164.4 | 3.1 | 114.3 | K1322 L1323 V1327 A1328 | K1322-R1325 PolarHBondContact O-N 3.21Å; L1323-R1325 PolarHBondContact O-N 3.09Å; L1323-R1325 VanDerWaalsContact O-N 3.15Å; R1325-V1327 VanDerWaalsContact C-N 3.29Å; R1325-V1327 PolarHBondContact O-N 3.23Å; R1325-A1328 PolarHBondContact O-N 3.16Å |
| 1326 | M | 39.3 | Very low | 39.3 | Very low | 159 Ų | 159 | 125.8 Ų | 125.8 | 78% | 0.783 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -70.7 | -22.9 | -176.8 | -77.6 | -179.7 | 63.5 | 0 | 0 | 113.8 | K1322 A1328 | K1322-M1326 PolarHBondContact O-N 3.17Å; M1326-A1328 PolarHBondContact O-N 3.22Å |
| 1327 | V | 44.3 | Very low | 40.3 | Very low | 99 Ų | 99 | 123.1 Ų | 123.1 | 60% | 0.6 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -19.2 | 177.9 | -175 | 0 | 0 | 0 | 0 | 113 | R1325 | R1325-V1327 VanDerWaalsContact C-N 3.29Å; R1325-V1327 PolarHBondContact O-N 3.23Å |
| 1328 | A | 34.9 | Very low | 42 | Very low | 81 Ų | 81 | 116.1 Ų | 116.1 | 67% | 0.669 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -25.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116 | R1325 M1326 | R1325-A1328 PolarHBondContact O-N 3.16Å; M1326-A1328 PolarHBondContact O-N 3.22Å |
| 1329 | T | 31.6 | Very low | 44 | Very low | 113 Ų | 113 | 113.5 Ų | 113.5 | 69% | 0.693 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -149.1 | 74.7 | -166.6 | 50.2 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1330 | K | 32 | Very low | 46 | Very low | 207 Ų | 207 | 109.3 Ų | 109.3 | 90% | 0.9 | 58% | 0.575 | S | S | * | * | -180 | 123.7 | 125.1 | -102.2 | 172.1 | -179.8 | -173.2 | 0 | 111.7 | |||||
| 1331 | S | 31.6 | Very low | 47.7 | Very low | 108 Ų | 108 | 106.6 Ų | 106.6 | 76% | 0.755 | 56% | 0.56 | S | S | * | * | trans | -79 | 153.4 | 160 | 51.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1332 | K | 32.3 | Very low | 49.4 | Very low | 175 Ų | 175 | 100 Ų | 100 | 76% | 0.761 | 53% | 0.528 | S | S | * | . | trans | 89.7 | 134.2 | 170.8 | -61 | -174.1 | 158.7 | -150.4 | 0 | 119 | ||||
| 1333 | E | 31 | Very low | 51.1 | Low | 160 Ų | 160 | 93.2 Ų | 93.2 | 75% | 0.748 | 50% | 0.498 | S | S | * | . | S | Bend | trans | 74.9 | 123.6 | 156.6 | -70.4 | 139.6 | -134.2 | 0 | 0 | 117.6 | ||
| 1334 | I | 38.1 | Very low | 52.9 | Low | 146 Ų | 146 | 90.2 Ų | 90.2 | 75% | 0.749 | 48% | 0.482 | S | S | * | . | trans | 64.3 | 79.1 | -177.8 | -42 | 178.3 | 0 | 0 | 0 | 114.8 | ||||
| 1335 | S | 46.3 | Very low | 54.7 | Low | 117 Ų | 117 | 87.5 Ų | 87.5 | 82% | 0.818 | 47% | 0.468 | S | S | * | . | trans | -89.6 | 101 | 169.8 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | S1337 | S1335-S1337 PolarHBondContact O-N 2.93Š| ||
| 1336 | N | 55 | Low | 56.5 | Low | 82 Ų | 82 | 79.1 Ų | 79.1 | 44% | 0.439 | 44% | 0.437 | S | S | . | . | trans | -68.6 | 123 | 160.2 | -66.3 | -20.7 | 0 | 0 | 0 | 108 | D1313 | D1313-N1336 PolarHBondContact OD2-ND2 3.42Š| ||
| 1337 | S | 62.3 | Low | 58.4 | Low | 65 Ų | 65 | 71.5 Ų | 71.5 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | trans | -64.1 | 133.8 | 177.2 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | S1335 D1341 | S1335-S1337 PolarHBondContact O-N 2.93Å; S1337-D1341 WeakPolarHBondContact CA-OD2 3.17Å | ||
| 1338 | D | 73.3 | Confident | 60.1 | Low | 21 Ų | 21 | 70.7 Ų | 70.7 | 11% | 0.112 | 39% | 0.388 | C | S | . | . | trans | -100.7 | 174.6 | 176.2 | 77.2 | 21.7 | 0 | 0 | 0 | 112.8 | L1340 D1341 C1342 R1400 | D1338-L1340 PolarHBondContact O-N 3.49Å; D1338-L1340 VanDerWaalsContact O-N 3.13Å; D1338-L1340 WeakPolarHBondContact OD1-CA 3.4Å; D1338-L1340 VanDerWaalsContact OD1-CB 3.29Å; D1338-L1340 WeakPolarHBondContact OD1-CB 3.27Å; D1338-L1340 PolarHBondContact OD1-N 2.98Å; D1338-D1341 PolarHBondContact N-OD2 3.09Å; D1338-D1341 WeakPolarHBondContact O-CB 3.3Å; D1338-D1341 PolarHBondContact O-N 3.21Å; D1338-D1341 PolarHBondContact OD1-N 2.88Å; D1338-D1341 VanDerWaalsContact OD1-N 3.1Å; D1338-C1342 PolarHBondContact O-N 3.03Å; D1338-C1342 PolarHBondContact O-SG 3.07Å; D1338-C1342 VanDerWaalsContact O-SG 3.32Å; D1338-R1400 VanDerWaalsContact CG-NH2 3.35Å; D1338-R1400 IonicContact OD1-CZ 3.08Å; D1338-R1400 IonicContact OD1-NH1 2.67Å; D1338-R1400 PolarHBondContact OD1-NH1 3.31Å; D1338-R1400 IonicContact OD1-NH2 2.94Å; D1338-R1400 PolarHBondContact OD1-NH2 3.2Å; D1338-R1400 IonicContact OD2-CZ 2.68Å; D1338-R1400 IonicContact OD2-NH1 3.87Å; D1338-R1400 IonicContact OD2-NH2 3.81Å; D1338-R1400 PolarHBondContact OD2-NH2 3.44Å | ||
| 1339 | C | 77.6 | Confident | 62.2 | Low | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.9 | -24.6 | -178.2 | -169.9 | 0 | 0 | 0 | 0 | 113.8 | L1265 L1310 V1343 | L1265-C1339 HydrophobicContact CD2-CB 3.89Å; L1310-C1339 HydrophobicContact CB-CB 3.97Å; L1310-C1339 WeakPolarHBondContact O-CB 3.5Å; L1310-C1339 PolarHBondContact O-N 3.18Å; C1339-V1343 WeakPolarHBondContact O-CG2 3.33Å; C1339-V1343 PolarHBondContact O-N 3.33Å |
| 1340 | L | 80.4 | Confident | 64.2 | Low | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -82.3 | -23 | 178.3 | -51.7 | 173.7 | 0 | 0 | 0 | 111.4 | L1311 D1338 I1344 F1381 L1385 N1396 L1397 R1400 | L1311-L1340 HydrophobicContact CD2-CD1 3.71Å; L1311-L1340 HydrophobicContact CD2-CD2 4.41Å; L1311-L1340 HydrophobicContact CD2-CG 3.76Å; D1338-L1340 PolarHBondContact O-N 3.49Å; D1338-L1340 VanDerWaalsContact O-N 3.13Å; D1338-L1340 WeakPolarHBondContact OD1-CA 3.4Å; D1338-L1340 VanDerWaalsContact OD1-CB 3.29Å; D1338-L1340 WeakPolarHBondContact OD1-CB 3.27Å; D1338-L1340 PolarHBondContact OD1-N 2.98Å; L1340-I1344 PolarHBondContact O-N 2.81Å; L1340-F1381 HydrophobicContact CD2-CE1 4.35Å; L1340-L1385 HydrophobicContact CD2-CD1 4.46Å; L1340-N1396 HydrophobicContact CD1-CB 4.16Å; L1340-L1397 HydrophobicContact CB-CD2 3.87Å; L1340-L1397 HydrophobicContact CB-CG 4.37Å; L1340-L1397 HydrophobicContact CD1-CG 4.31Å; L1340-L1397 HydrophobicContact CD2-CD1 4.23Å; L1340-L1397 HydrophobicContact CD2-CD2 4.12Å; L1340-L1397 HydrophobicContact CD2-CG 4.08Å; L1340-L1397 HydrophobicContact CG-CD2 4.43Å; L1340-L1397 HydrophobicContact CG-CG 4.48Å; L1340-R1400 VanDerWaalsContact C-NH1 3.33Å |
| 1341 | D | 77.7 | Confident | 66.2 | Low | 50 Ų | 50 | 55 Ų | 55 | 27% | 0.267 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.6 | -44.8 | 167.8 | -66.2 | -49.5 | 0 | 0 | 0 | 109.5 | S1337 D1338 V1343 I1344 D1345 R1400 | S1337-D1341 WeakPolarHBondContact CA-OD2 3.17Å; D1338-D1341 PolarHBondContact N-OD2 3.09Å; D1338-D1341 WeakPolarHBondContact O-CB 3.3Å; D1338-D1341 PolarHBondContact O-N 3.21Å; D1338-D1341 PolarHBondContact OD1-N 2.88Å; D1338-D1341 VanDerWaalsContact OD1-N 3.1Å; D1341-V1343 VanDerWaalsContact C-N 3.26Å; D1341-V1343 PolarHBondContact O-N 3.18Å; D1341-I1344 PolarHBondContact O-N 3.23Å; D1341-D1345 PolarHBondContact O-N 3.13Å; D1341-R1400 IonicContact OD1-CZ 3.17Å; D1341-R1400 IonicContact OD1-NH1 3.93Å; D1341-R1400 PolarHBondContact OD1-NH1 2.74Å; D1341-R1400 IonicContact OD2-NH1 3.78Å; D1341-R1400 PolarHBondContact OD2-NH1 3.46Å |
| 1342 | C | 77.9 | Confident | 68 | Low | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.2 | -40.7 | 175.4 | -48.6 | 0 | 0 | 0 | 0 | 112.2 | L1268 V1269 Y1282 D1338 T1346 | L1268-C1342 HydrophobicContact CB-CB 3.93Å; V1269-C1342 HydrophobicContact CG2-CB 4Å; V1269-C1342 WeakPolarHBondContact CG2-SG 3.25Å; Y1282-C1342 PolarHBondContact OH-O 3.42Å; D1338-C1342 PolarHBondContact O-N 3.03Å; D1338-C1342 PolarHBondContact O-SG 3.07Å; D1338-C1342 VanDerWaalsContact O-SG 3.32Å; C1342-T1346 WeakPolarHBondContact O-CB 3.42Å; C1342-T1346 WeakPolarHBondContact O-CG2 3.42Å; C1342-T1346 PolarHBondContact O-N 2.63Å; C1342-T1346 PolarHBondContact O-OG1 3.03Å |
| 1343 | V | 81.1 | Confident | 69.7 | Low | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 173.9 | 165.2 | 0 | 0 | 0 | 0 | 111.7 | Y1282 C1339 D1341 T1346 L1347 V1378 F1381 I1382 L1397 | Y1282-V1343 HydrophobicContact CD1-CG2 4.47Å; Y1282-V1343 HydrophobicContact CE1-CG2 3.68Å; C1339-V1343 WeakPolarHBondContact O-CG2 3.33Å; C1339-V1343 PolarHBondContact O-N 3.33Å; D1341-V1343 VanDerWaalsContact C-N 3.26Å; D1341-V1343 PolarHBondContact O-N 3.18Å; V1343-T1346 PolarHBondContact O-OG1 3.11Å; V1343-T1346 VanDerWaalsContact O-OG1 3.07Å; V1343-L1347 HydrophobicContact CG1-CD1 4.17Å; V1343-L1347 VanDerWaalsContact O-CG 3.27Å; V1343-L1347 WeakPolarHBondContact O-CG 3.27Å; V1343-L1347 PolarHBondContact O-N 3.44Å; V1343-L1347 VanDerWaalsContact O-N 3.1Å; V1343-V1378 HydrophobicContact CG1-CG1 3.97Å; V1343-F1381 HydrophobicContact CG2-CD1 3.93Å; V1343-F1381 HydrophobicContact CG2-CE1 3.9Å; V1343-I1382 HydrophobicContact CG1-CD1 3.86Å; V1343-I1382 HydrophobicContact CG1-CG1 4.19Å; V1343-L1397 HydrophobicContact CG1-CD2 4.42Å |
| 1344 | I | 80.6 | Confident | 70.9 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.5 | -37.1 | -178 | -69.1 | 177.4 | 0 | 0 | 0 | 111.5 | L1340 D1341 L1347 K1348 L1397 R1400 F1403 | L1340-I1344 PolarHBondContact O-N 2.81Å; D1341-I1344 PolarHBondContact O-N 3.23Å; I1344-L1347 PolarHBondContact O-N 3.06Å; I1344-K1348 HydrophobicContact CG2-CD 4.46Å; I1344-K1348 WeakPolarHBondContact O-CG 3.32Å; I1344-K1348 PolarHBondContact O-N 2.86Å; I1344-L1397 HydrophobicContact CD1-CD2 4.29Å; I1344-L1397 HydrophobicContact CG1-CD2 4.36Å; I1344-R1400 HydrophobicContact CD1-CB 3.42Å; I1344-R1400 VanDerWaalsContact CD1-CB 3.42Å; I1344-R1400 HydrophobicContact CD1-CG 4.11Å; I1344-F1403 HydrophobicContact CD1-CD2 4.34Å; I1344-F1403 HydrophobicContact CG1-CD2 4.35Å |
| 1345 | D | 79.3 | Confident | 71.5 | Confident | 69 Ų | 69 | 42.8 Ų | 42.8 | 37% | 0.369 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -73.9 | -32.2 | 179.8 | -70.1 | -20.5 | 0 | 0 | 0 | 112.7 | D1341 K1348 E1349 | D1341-D1345 PolarHBondContact O-N 3.13Å; D1345-K1348 PolarHBondContact O-N 3.03Å; D1345-K1348 IonicContact OD1-NZ 2.85Å; D1345-K1348 PolarHBondContact OD1-NZ 3.19Å; D1345-E1349 PolarHBondContact O-N 2.93Å |
| 1346 | T | 79.3 | Confident | 71.8 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.1 | -35.3 | 169.1 | 49.7 | 0 | 0 | 0 | 0 | 112.6 | L1268 Y1282 C1342 V1343 E1349 L1350 | L1268-T1346 WeakPolarHBondContact O-CG2 3.43Å; Y1282-T1346 HydrophobicContact CE2-CG2 4.29Å; Y1282-T1346 PolarHBondContact OH-OG1 3.12Å; C1342-T1346 WeakPolarHBondContact O-CB 3.42Å; C1342-T1346 WeakPolarHBondContact O-CG2 3.42Å; C1342-T1346 PolarHBondContact O-N 2.63Å; C1342-T1346 PolarHBondContact O-OG1 3.03Å; V1343-T1346 PolarHBondContact O-OG1 3.11Å; V1343-T1346 VanDerWaalsContact O-OG1 3.07Å; T1346-E1349 WeakPolarHBondContact O-CB 3.28Å; T1346-E1349 PolarHBondContact O-N 3.33Å; T1346-L1350 WeakPolarHBondContact O-CG 3.48Å; T1346-L1350 PolarHBondContact O-N 3.36Å |
| 1347 | L | 79.2 | Confident | 71.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 170.5 | -73.4 | 171.4 | 0 | 0 | 0 | 112.3 | V1343 I1344 L1350 Q1351 F1375 V1378 I1382 L1407 | V1343-L1347 HydrophobicContact CG1-CD1 4.17Å; V1343-L1347 VanDerWaalsContact O-CG 3.27Å; V1343-L1347 WeakPolarHBondContact O-CG 3.27Å; V1343-L1347 PolarHBondContact O-N 3.44Å; V1343-L1347 VanDerWaalsContact O-N 3.1Å; I1344-L1347 PolarHBondContact O-N 3.06Å; L1347-L1350 PolarHBondContact O-N 2.98Å; L1347-Q1351 WeakPolarHBondContact O-CB 3.37Å; L1347-Q1351 PolarHBondContact O-N 3.33Å; L1347-F1375 HydrophobicContact CD2-CD2 3.78Å; L1347-F1375 HydrophobicContact CD2-CE2 3.65Å; L1347-V1378 HydrophobicContact CD1-CG1 4.41Å; L1347-V1378 HydrophobicContact CD2-CG1 4.1Å; L1347-V1378 HydrophobicContact CG-CG1 4.09Å; L1347-I1382 HydrophobicContact CD1-CD1 4.24Å; L1347-L1407 HydrophobicContact CD1-CD1 4.36Å |
| 1348 | K | 80.7 | Confident | 70.8 | Confident | 82 Ų | 82 | 49 Ų | 49 | 36% | 0.357 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.5 | -39.6 | 171.5 | -68.3 | 167.8 | -165.8 | 152.2 | 0 | 112.5 | I1344 D1345 L1350 Q1351 N1352 T1406 | I1344-K1348 HydrophobicContact CG2-CD 4.46Å; I1344-K1348 WeakPolarHBondContact O-CG 3.32Å; I1344-K1348 PolarHBondContact O-N 2.86Å; D1345-K1348 PolarHBondContact O-N 3.03Å; D1345-K1348 IonicContact OD1-NZ 2.85Å; D1345-K1348 PolarHBondContact OD1-NZ 3.19Å; K1348-L1350 VanDerWaalsContact C-N 3.32Å; K1348-L1350 PolarHBondContact O-N 3.47Å; K1348-Q1351 PolarHBondContact O-N 3.01Å; K1348-N1352 PolarHBondContact O-N 3.22Å; K1348-N1352 PolarHBondContact O-ND2 3.27Å; K1348-T1406 HydrophobicContact CG-CG2 3.85Å |
| 1349 | E | 78.3 | Confident | 69.4 | Low | 25 Ų | 25 | 56.3 Ų | 56.3 | 12% | 0.117 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58 | -46.7 | 174.6 | -170.6 | -165.1 | 157.8 | 0 | 0 | 110.7 | T1271 R1278 D1345 T1346 K1353 | T1271-E1349 HydrophobicContact CG2-CG 4.45Å; R1278-E1349 IonicContact CZ-OE2 3.71Å; R1278-E1349 IonicContact NH1-OE2 3.32Å; R1278-E1349 PolarHBondContact NH1-OE2 2.86Å; R1278-E1349 IonicContact NH2-OE1 2.68Å; R1278-E1349 PolarHBondContact NH2-OE1 3.21Å; R1278-E1349 IonicContact NH2-OE2 2.93Å; R1278-E1349 PolarHBondContact NH2-OE2 3.25Å; D1345-E1349 PolarHBondContact O-N 2.93Å; T1346-E1349 WeakPolarHBondContact O-CB 3.28Å; T1346-E1349 PolarHBondContact O-N 3.33Å; E1349-K1353 HydrophobicContact CG-CD 4.29Å; E1349-K1353 WeakPolarHBondContact O-CB 3.46Å; E1349-K1353 WeakPolarHBondContact O-CG 3.4Å; E1349-K1353 PolarHBondContact O-N 3.43Å; E1349-K1353 VanDerWaalsContact O-N 3.11Å; E1349-K1353 IonicContact OE1-NZ 2.57Å; E1349-K1353 PolarHBondContact OE1-NZ 3.19Å |
| 1350 | L | 73.5 | Confident | 67.5 | Low | 14 Ų | 14 | 62.5 Ų | 62.5 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 177.9 | -70.7 | 163.9 | 0 | 0 | 0 | 112.2 | T1346 L1347 K1348 K1353 S1354 S1371 L1374 F1375 | T1346-L1350 WeakPolarHBondContact O-CG 3.48Å; T1346-L1350 PolarHBondContact O-N 3.36Å; L1347-L1350 PolarHBondContact O-N 2.98Å; K1348-L1350 VanDerWaalsContact C-N 3.32Å; K1348-L1350 PolarHBondContact O-N 3.47Å; L1350-K1353 PolarHBondContact O-N 2.73Å; L1350-S1354 PolarHBondContact O-N 2.93Å; L1350-S1354 PolarHBondContact O-OG 2.86Å; L1350-S1371 WeakPolarHBondContact CD2-O 3.22Å; L1350-L1374 HydrophobicContact CD2-CD2 4.46Å; L1350-F1375 HydrophobicContact CD1-CB 3.82Å; L1350-F1375 HydrophobicContact CD1-CD2 4.19Å; L1350-F1375 HydrophobicContact CD1-CG 4.26Å |
| 1351 | Q | 74.1 | Confident | 65.7 | Low | 33 Ų | 33 | 69.8 Ų | 69.8 | 15% | 0.154 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 176.8 | -169.7 | -176 | 22.6 | 0 | 0 | 111.8 | L1347 K1348 K1353 S1354 F1355 D1409 P1410 | L1347-Q1351 WeakPolarHBondContact O-CB 3.37Å; L1347-Q1351 PolarHBondContact O-N 3.33Å; K1348-Q1351 PolarHBondContact O-N 3.01Å; Q1351-K1353 PolarHBondContact O-N 3.3Å; Q1351-S1354 PolarHBondContact O-N 2.91Å; Q1351-S1354 PolarHBondContact O-OG 3.33Å; Q1351-F1355 HydrophobicContact CG-CD2 4.25Å; Q1351-F1355 HydrophobicContact CG-CE2 3.91Å; Q1351-F1355 WeakPolarHBondContact O-CD2 3.37Å; Q1351-F1355 PolarHBondContact O-N 2.63Å; Q1351-D1409 HydrophobicContact CG-CB 4.36Å; Q1351-D1409 PolarHBondContact NE2-OD2 2.92Å; Q1351-P1410 HydrophobicContact CB-CG 4.23Å |
| 1352 | N | 70.2 | Confident | 64 | Low | 103 Ų | 103 | 74.6 Ų | 74.6 | 55% | 0.551 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.3 | -43.3 | 178.3 | -71.9 | -27.3 | 0 | 0 | 0 | 111.8 | K1348 S1354 F1355 Q1356 | K1348-N1352 PolarHBondContact O-N 3.22Å; K1348-N1352 PolarHBondContact O-ND2 3.27Å; N1352-S1354 PolarHBondContact O-N 2.96Å; N1352-F1355 PolarHBondContact O-N 3.42Å; N1352-Q1356 PolarHBondContact O-N 3.48Å |
| 1353 | K | 66.9 | Low | 62.2 | Low | 92 Ų | 92 | 81.9 Ų | 81.9 | 40% | 0.4 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.2 | -34.8 | 177.2 | -75.5 | 175.1 | 172.6 | 177 | 0 | 112.9 | E1349 L1350 Q1351 F1355 | E1349-K1353 HydrophobicContact CG-CD 4.29Å; E1349-K1353 WeakPolarHBondContact O-CB 3.46Å; E1349-K1353 WeakPolarHBondContact O-CG 3.4Å; E1349-K1353 PolarHBondContact O-N 3.43Å; E1349-K1353 VanDerWaalsContact O-N 3.11Å; E1349-K1353 IonicContact OE1-NZ 2.57Å; E1349-K1353 PolarHBondContact OE1-NZ 3.19Å; L1350-K1353 PolarHBondContact O-N 2.73Å; Q1351-K1353 PolarHBondContact O-N 3.3Å; K1353-F1355 VanDerWaalsContact C-N 3.32Å; K1353-F1355 PolarHBondContact O-N 3.29Å |
| 1354 | S | 57.4 | Low | 60.5 | Low | 26 Ų | 26 | 84.8 Ų | 84.8 | 18% | 0.182 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69 | -27.9 | 177.8 | 63.2 | 0 | 0 | 0 | 0 | 113.5 | L1350 Q1351 N1352 | L1350-S1354 PolarHBondContact O-N 2.93Å; L1350-S1354 PolarHBondContact O-OG 2.86Å; Q1351-S1354 PolarHBondContact O-N 2.91Å; Q1351-S1354 PolarHBondContact O-OG 3.33Å; N1352-S1354 PolarHBondContact O-N 2.96Å |
| 1355 | F | 50.8 | Low | 58.9 | Low | 110 Ų | 110 | 89.7 Ų | 89.7 | 48% | 0.482 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -82.1 | -31.9 | 179.1 | -79.4 | -65.8 | 0 | 0 | 0 | 114.6 | Q1351 N1352 K1353 K1357 | Q1351-F1355 HydrophobicContact CG-CD2 4.25Å; Q1351-F1355 HydrophobicContact CG-CE2 3.91Å; Q1351-F1355 WeakPolarHBondContact O-CD2 3.37Å; Q1351-F1355 PolarHBondContact O-N 2.63Å; N1352-F1355 PolarHBondContact O-N 3.42Å; K1353-F1355 VanDerWaalsContact C-N 3.32Å; K1353-F1355 PolarHBondContact O-N 3.29Å; F1355-K1357 PolarHBondContact O-N 3.4Å; F1355-K1357 VanDerWaalsContact O-N 3.16Å |
| 1356 | Q | 52.5 | Low | 57.2 | Low | 149 Ų | 149 | 93.2 Ų | 93.2 | 70% | 0.696 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.3 | -20.8 | 177 | -72.2 | -177.4 | -83 | 0 | 0 | 113.1 | N1352 Q1358 | N1352-Q1356 PolarHBondContact O-N 3.48Å; Q1356-Q1358 PolarHBondContact O-N 3.44Å |
| 1357 | K | 47.4 | Very low | 55.8 | Low | 81 Ų | 81 | 98.2 Ų | 98.2 | 35% | 0.352 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -5.5 | -173.1 | -142.8 | -177.2 | -179.9 | -173.1 | 0 | 116.2 | F1355 F1359 N1368 | F1355-K1357 PolarHBondContact O-N 3.4Å; F1355-K1357 VanDerWaalsContact O-N 3.16Å; K1357-F1359 VanDerWaalsContact C-N 3.32Å; K1357-F1359 PolarHBondContact O-N 3.12Å; K1357-N1368 VanDerWaalsContact CE-CG 3.49Å; K1357-N1368 VanDerWaalsContact CE-ND2 3.33Å; K1357-N1368 WeakPolarHBondContact CE-ND2 3.4Å; K1357-N1368 WeakPolarHBondContact CE-OD1 2.99Å; K1357-N1368 PolarHBondContact NZ-ND2 3.21Å; K1357-N1368 VanDerWaalsContact NZ-ND2 3.11Å; K1357-N1368 PolarHBondContact NZ-OD1 2.96Å; K1357-N1368 VanDerWaalsContact NZ-OD1 3.11Å |
| 1358 | Q | 47.7 | Very low | 54.8 | Low | 164 Ų | 164 | 100 Ų | 100 | 77% | 0.766 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 6.2 | -178.8 | -69.8 | -164.3 | -45.6 | 0 | 0 | 114.9 | Q1356 | Q1356-Q1358 PolarHBondContact O-N 3.44Š|
| 1359 | F | 44.3 | Very low | 54.1 | Low | 176 Ų | 176 | 102.2 Ų | 102.2 | 77% | 0.772 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -123.9 | -20.5 | -171.7 | -76.7 | -82.7 | 0 | 0 | 0 | 117 | K1357 | K1357-F1359 VanDerWaalsContact C-N 3.32Å; K1357-F1359 PolarHBondContact O-N 3.12Å |
| 1360 | D | 38.9 | Very low | 53.7 | Low | 130 Ų | 130 | 103.3 Ų | 103.3 | 70% | 0.695 | 51% | 0.514 | S | S | * | . | trans | -136 | 112.1 | -174.4 | -67.4 | -69.3 | 0 | 0 | 0 | 112.6 | ||||
| 1361 | D | 41.7 | Very low | 53.7 | Low | 154 Ų | 154 | 104.3 Ų | 104.3 | 82% | 0.824 | 52% | 0.522 | S | S | * | . | trans | -90.1 | -21.2 | -160.8 | -92 | -31.9 | 0 | 0 | 0 | 117.4 | ||||
| 1362 | N | 41.3 | Very low | 53.8 | Low | 150 Ų | 150 | 103.9 Ų | 103.9 | 80% | 0.802 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -100.5 | -29.5 | -151.5 | -75.4 | -49.5 | 0 | 0 | 0 | 119.4 | ||
| 1363 | D | 40.1 | Very low | 54.3 | Low | 154 Ų | 154 | 100.5 Ų | 100.5 | 82% | 0.824 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -126.6 | 4.6 | -164.8 | -77.2 | -68.1 | 0 | 0 | 0 | 116.7 | T1365 | D1363-T1365 PolarHBondContact O-N 3.1Š|
| 1364 | T | 45.4 | Very low | 54.9 | Low | 62 Ų | 62 | 96.2 Ų | 96.2 | 38% | 0.38 | 49% | 0.486 | S | S | . | . | trans | -92.8 | 6.6 | -163.3 | 63.8 | 0 | 0 | 0 | 0 | 117.3 | Y1366 N1367 N1368 | T1364-Y1366 VanDerWaalsContact C-N 3.35Å; T1364-Y1366 PolarHBondContact O-N 3.43Å; T1364-N1367 PolarHBondContact O-N 2.94Å; T1364-N1368 VanDerWaalsContact O-CG 3.27Å; T1364-N1368 PolarHBondContact O-N 2.96Å; T1364-N1368 PolarHBondContact O-ND2 3.13Å; T1364-N1368 VanDerWaalsContact O-ND2 3.16Å | ||
| 1365 | T | 48.6 | Very low | 56.2 | Low | 108 Ų | 108 | 95.3 Ų | 95.3 | 66% | 0.663 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.8 | -34.7 | -167.3 | 47.6 | 0 | 0 | 0 | 0 | 115.4 | D1363 | D1363-T1365 PolarHBondContact O-N 3.1Å |
| 1366 | Y | 43.3 | Very low | 57.9 | Low | 142 Ų | 142 | 91.8 Ų | 91.8 | 56% | 0.557 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -73.8 | -40.9 | -176.8 | -126.9 | -86.4 | 0 | 0 | 0 | 113.5 | T1364 N1368 | T1364-Y1366 VanDerWaalsContact C-N 3.35Å; T1364-Y1366 PolarHBondContact O-N 3.43Å; Y1366-N1368 PolarHBondContact O-N 2.71Å |
| 1367 | N | 49.1 | Very low | 59.3 | Low | 107 Ų | 107 | 84.7 Ų | 84.7 | 57% | 0.572 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66.3 | -29.6 | 178.2 | -78.4 | -19.7 | 0 | 0 | 0 | 111.9 | T1364 L1370 S1371 | T1364-N1367 PolarHBondContact O-N 2.94Å; N1367-L1370 PolarHBondContact O-N 2.66Å; N1367-S1371 PolarHBondContact O-N 2.74Å; N1367-S1371 VanDerWaalsContact O-N 3.1Å |
| 1368 | N | 58.3 | Low | 61.2 | Low | 39 Ų | 39 | 80.9 Ų | 80.9 | 21% | 0.209 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.5 | -53.6 | 177.7 | -64.6 | -31.1 | 0 | 0 | 0 | 111.7 | K1357 T1364 Y1366 L1370 S1371 T1372 | K1357-N1368 VanDerWaalsContact CE-CG 3.49Å; K1357-N1368 VanDerWaalsContact CE-ND2 3.33Å; K1357-N1368 WeakPolarHBondContact CE-ND2 3.4Å; K1357-N1368 WeakPolarHBondContact CE-OD1 2.99Å; K1357-N1368 PolarHBondContact NZ-ND2 3.21Å; K1357-N1368 VanDerWaalsContact NZ-ND2 3.11Å; K1357-N1368 PolarHBondContact NZ-OD1 2.96Å; K1357-N1368 VanDerWaalsContact NZ-OD1 3.11Å; T1364-N1368 VanDerWaalsContact O-CG 3.27Å; T1364-N1368 PolarHBondContact O-N 2.96Å; T1364-N1368 PolarHBondContact O-ND2 3.13Å; T1364-N1368 VanDerWaalsContact O-ND2 3.16Å; Y1366-N1368 PolarHBondContact O-N 2.71Å; N1368-L1370 VanDerWaalsContact C-N 3.25Å; N1368-L1370 PolarHBondContact O-N 3.14Å; N1368-S1371 PolarHBondContact O-N 3.05Å; N1368-S1371 VanDerWaalsContact O-N 3.17Å; N1368-S1371 PolarHBondContact O-OG 2.86Å; N1368-T1372 PolarHBondContact O-N 2.95Å; N1368-T1372 PolarHBondContact O-OG1 2.97Å |
| 1369 | Q | 67 | Low | 62.9 | Low | 128 Ų | 128 | 73 Ų | 73 | 60% | 0.598 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -55.9 | -42.1 | -178.9 | -66.8 | -174.5 | -7.3 | 0 | 0 | 111.8 | T1372 V1373 | Q1369-T1372 WeakPolarHBondContact O-CB 3.48Å; Q1369-T1372 PolarHBondContact O-N 3.28Å; Q1369-V1373 WeakPolarHBondContact O-CG2 3.29Å; Q1369-V1373 PolarHBondContact O-N 2.79Å |
| 1370 | L | 68.7 | Low | 64.9 | Low | 48 Ų | 48 | 66.1 Ų | 66.1 | 25% | 0.251 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -72.9 | -32.8 | -176.6 | -138.7 | 127.6 | 0 | 0 | 0 | 112.5 | Q1275 L1276 N1367 N1368 V1373 L1374 | Q1275-L1370 HydrophobicContact CB-CD2 3.32Å; Q1275-L1370 HydrophobicContact CG-CD2 4.31Å; L1276-L1370 HydrophobicContact CD1-CD1 4.42Å; L1276-L1370 HydrophobicContact CD2-CD1 3.96Å; L1276-L1370 HydrophobicContact CD2-CD2 4.13Å; L1276-L1370 HydrophobicContact CD2-CG 4.06Å; L1276-L1370 HydrophobicContact CG-CD1 4.11Å; L1276-L1370 HydrophobicContact CG-CD2 4.19Å; L1276-L1370 HydrophobicContact CG-CG 4.47Å; N1367-L1370 PolarHBondContact O-N 2.66Å; N1368-L1370 VanDerWaalsContact C-N 3.25Å; N1368-L1370 PolarHBondContact O-N 3.14Å; L1370-V1373 PolarHBondContact O-N 3.31Å; L1370-L1374 PolarHBondContact O-N 3.39Å |
| 1371 | S | 74.7 | Confident | 67.2 | Low | 34 Ų | 34 | 60 Ų | 60 | 24% | 0.238 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.6 | -38 | 170.4 | 74.6 | 0 | 0 | 0 | 0 | 112.6 | L1350 N1367 N1368 L1374 F1375 | L1350-S1371 WeakPolarHBondContact CD2-O 3.22Å; N1367-S1371 PolarHBondContact O-N 2.74Å; N1367-S1371 VanDerWaalsContact O-N 3.1Å; N1368-S1371 PolarHBondContact O-N 3.05Å; N1368-S1371 VanDerWaalsContact O-N 3.17Å; N1368-S1371 PolarHBondContact O-OG 2.86Å; S1371-L1374 PolarHBondContact O-N 2.91Å; S1371-F1375 PolarHBondContact O-N 3.42Å |
| 1372 | T | 75.9 | Confident | 69.3 | Low | 25 Ų | 25 | 52.6 Ų | 52.6 | 15% | 0.153 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 174.2 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | N1368 Q1369 F1375 W1376 L1414 E1429 L1432 | N1368-T1372 PolarHBondContact O-N 2.95Å; N1368-T1372 PolarHBondContact O-OG1 2.97Å; Q1369-T1372 WeakPolarHBondContact O-CB 3.48Å; Q1369-T1372 PolarHBondContact O-N 3.28Å; T1372-F1375 PolarHBondContact O-N 3.34Å; T1372-W1376 WeakPolarHBondContact O-CB 3.19Å; T1372-W1376 PolarHBondContact O-N 3.49Å; T1372-L1414 HydrophobicContact CG2-CD1 4Å; T1372-E1429 HydrophobicContact CG2-CG 3.62Å; T1372-L1432 HydrophobicContact CG2-CD1 4Å |
| 1373 | V | 79.2 | Confident | 71.4 | Confident | 32 Ų | 32 | 45.9 Ų | 45.9 | 19% | 0.194 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.4 | -38.2 | 175.5 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | V1279 Q1369 L1370 W1376 S1377 I1428 | V1279-V1373 HydrophobicContact CB-CG1 4.49Å; V1279-V1373 HydrophobicContact CG1-CG1 3.71Å; V1279-V1373 HydrophobicContact CG2-CG1 3.9Å; Q1369-V1373 WeakPolarHBondContact O-CG2 3.29Å; Q1369-V1373 PolarHBondContact O-N 2.79Å; L1370-V1373 PolarHBondContact O-N 3.31Å; V1373-W1376 HydrophobicContact CG1-CE3 4.43Å; V1373-W1376 PolarHBondContact O-N 2.96Å; V1373-S1377 PolarHBondContact O-N 3.18Å; V1373-S1377 PolarHBondContact O-OG 3.28Å; V1373-I1428 HydrophobicContact CG2-CD1 4Å; V1373-I1428 HydrophobicContact CG2-CG2 4.3Å |
| 1374 | L | 81.3 | Confident | 73.5 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -47.9 | 172.3 | -176.1 | 62.2 | 0 | 0 | 0 | 111 | R1278 V1279 Y1282 L1350 L1370 S1371 W1376 S1377 V1378 | R1278-L1374 HydrophobicContact CB-CD1 3.98Å; V1279-L1374 HydrophobicContact CG2-CB 4.08Å; V1279-L1374 HydrophobicContact CG2-CD1 4.04Å; Y1282-L1374 HydrophobicContact CD2-CD1 4.09Å; Y1282-L1374 HydrophobicContact CE2-CD1 4.3Å; L1350-L1374 HydrophobicContact CD2-CD2 4.46Å; L1370-L1374 PolarHBondContact O-N 3.39Å; S1371-L1374 PolarHBondContact O-N 2.91Å; L1374-W1376 PolarHBondContact O-N 3.39Å; L1374-S1377 PolarHBondContact O-N 3.33Å; L1374-S1377 PolarHBondContact O-OG 3.26Å; L1374-V1378 WeakPolarHBondContact O-CG2 3.44Å; L1374-V1378 PolarHBondContact O-N 3.42Å; L1374-V1378 VanDerWaalsContact O-N 3.11Å |
| 1375 | F | 83.9 | Confident | 75.2 | Confident | 7 Ų | 7 | 35.8 Ų | 35.8 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.2 | -44.8 | 177.2 | -172.2 | -152.6 | 0 | 0 | 0 | 111.7 | L1347 L1350 S1371 T1372 S1377 V1378 T1379 L1407 P1410 F1411 L1432 V1436 | L1347-F1375 HydrophobicContact CD2-CD2 3.78Å; L1347-F1375 HydrophobicContact CD2-CE2 3.65Å; L1350-F1375 HydrophobicContact CD1-CB 3.82Å; L1350-F1375 HydrophobicContact CD1-CD2 4.19Å; L1350-F1375 HydrophobicContact CD1-CG 4.26Å; S1371-F1375 PolarHBondContact O-N 3.42Å; T1372-F1375 PolarHBondContact O-N 3.34Å; F1375-S1377 PolarHBondContact O-N 2.98Å; F1375-V1378 PolarHBondContact O-N 3.18Å; F1375-T1379 HydrophobicContact CD2-CG2 3.79Å; F1375-T1379 HydrophobicContact CE2-CG2 3.48Å; F1375-T1379 VanDerWaalsContact CE2-CG2 3.48Å; F1375-T1379 HydrophobicContact CZ-CG2 4.06Å; F1375-T1379 WeakPolarHBondContact O-CG2 3.48Å; F1375-T1379 PolarHBondContact O-N 3.04Å; F1375-T1379 PolarHBondContact O-OG1 3.25Å; F1375-T1379 VanDerWaalsContact O-OG1 3.12Å; F1375-L1407 WeakPolarHBondContact CZ-O 3.23Å; F1375-P1410 HydrophobicContact CD1-CB 4.19Å; F1375-P1410 HydrophobicContact CE1-CB 3.76Å; F1375-P1410 HydrophobicContact CZ-CB 3.95Å; F1375-P1410 HydrophobicContact CZ-CG 4.45Å; F1375-F1411 HydrophobicContact CE1-CB 3.97Å; F1375-F1411 HydrophobicContact CZ-CB 3.98Å; F1375-L1432 HydrophobicContact CB-CD1 4.09Å; F1375-L1432 HydrophobicContact CD1-CD1 3.62Å; F1375-L1432 HydrophobicContact CD1-CD2 4.07Å; F1375-L1432 HydrophobicContact CD1-CG 4.24Å; F1375-L1432 HydrophobicContact CE1-CD1 4.25Å; F1375-L1432 HydrophobicContact CE1-CD2 3.85Å; F1375-L1432 HydrophobicContact CE1-CG 4.44Å; F1375-L1432 HydrophobicContact CG-CD1 4.03Å; F1375-V1436 HydrophobicContact CZ-CG2 4.45Å |
| 1376 | W | 85.8 | Confident | 76.9 | Confident | 37 Ų | 37 | 30.9 Ų | 30.9 | 14% | 0.14 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -54.2 | -52.4 | 174 | 171.2 | 70.3 | 0 | 0 | 0 | 112 | T1372 V1373 L1374 V1378 T1379 K1380 I1428 E1431 L1432 | T1372-W1376 WeakPolarHBondContact O-CB 3.19Å; T1372-W1376 PolarHBondContact O-N 3.49Å; V1373-W1376 HydrophobicContact CG1-CE3 4.43Å; V1373-W1376 PolarHBondContact O-N 2.96Å; L1374-W1376 PolarHBondContact O-N 3.39Å; W1376-V1378 VanDerWaalsContact C-N 3.3Å; W1376-V1378 PolarHBondContact O-N 3.23Å; W1376-T1379 WeakPolarHBondContact CA-OG1 3.25Å; W1376-T1379 PolarHBondContact O-N 3.01Å; W1376-T1379 VanDerWaalsContact O-N 3.14Å; W1376-T1379 PolarHBondContact O-OG1 2.8Å; W1376-K1380 HydrophobicContact CZ2-CD 4.46Å; W1376-K1380 WeakPolarHBondContact O-CB 3.48Å; W1376-K1380 PolarHBondContact O-N 3.23Å; W1376-I1428 HydrophobicContact CB-CG2 3.85Å; W1376-I1428 HydrophobicContact CD2-CG2 3.84Å; W1376-I1428 HydrophobicContact CE3-CG2 4.18Å; W1376-I1428 HydrophobicContact CG-CG2 3.7Å; W1376-E1431 WeakPolarHBondContact CZ2-OE2 3.41Å; W1376-E1431 PolarHBondContact NE1-OE2 2.99Å; W1376-L1432 HydrophobicContact CB-CB 4.2Å; W1376-L1432 HydrophobicContact CB-CD1 4.05Å; W1376-L1432 HydrophobicContact CB-CG 4.44Å |
| 1377 | S | 82.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.5 | -37.1 | -179.1 | 68.2 | 0 | 0 | 0 | 0 | 113.1 | V1373 L1374 F1375 F1381 | V1373-S1377 PolarHBondContact O-N 3.18Å; V1373-S1377 PolarHBondContact O-OG 3.28Å; L1374-S1377 PolarHBondContact O-N 3.33Å; L1374-S1377 PolarHBondContact O-OG 3.26Å; F1375-S1377 PolarHBondContact O-N 2.98Å; S1377-F1381 PolarHBondContact O-N 2.99Å; S1377-F1381 VanDerWaalsContact O-N 3.15Å |
| 1378 | V | 86.4 | Confident | 80 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70 | -44.1 | 174.7 | 175.5 | 0 | 0 | 0 | 0 | 111 | Y1282 V1343 L1347 L1374 F1375 W1376 K1380 F1381 I1382 | Y1282-V1378 HydrophobicContact CD1-CG2 4.11Å; Y1282-V1378 HydrophobicContact CD2-CG2 3.56Å; Y1282-V1378 HydrophobicContact CE1-CG2 4.18Å; Y1282-V1378 HydrophobicContact CE2-CG2 3.62Å; Y1282-V1378 HydrophobicContact CG-CG2 3.82Å; V1343-V1378 HydrophobicContact CG1-CG1 3.97Å; L1347-V1378 HydrophobicContact CD1-CG1 4.41Å; L1347-V1378 HydrophobicContact CD2-CG1 4.1Å; L1347-V1378 HydrophobicContact CG-CG1 4.09Å; L1374-V1378 WeakPolarHBondContact O-CG2 3.44Å; L1374-V1378 PolarHBondContact O-N 3.42Å; L1374-V1378 VanDerWaalsContact O-N 3.11Å; F1375-V1378 PolarHBondContact O-N 3.18Å; W1376-V1378 VanDerWaalsContact C-N 3.3Å; W1376-V1378 PolarHBondContact O-N 3.23Å; V1378-K1380 VanDerWaalsContact C-N 3.33Å; V1378-K1380 PolarHBondContact O-N 3.32Å; V1378-F1381 PolarHBondContact O-N 3.17Å; V1378-I1382 HydrophobicContact CG1-CD1 4.12Å; V1378-I1382 WeakPolarHBondContact O-CG1 3.45Å; V1378-I1382 PolarHBondContact O-N 3.39Å; V1378-I1382 VanDerWaalsContact O-N 3.07Å |
| 1379 | T | 84.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.6 | -36.9 | 176.9 | 52 | 0 | 0 | 0 | 0 | 112.3 | F1375 W1376 I1382 S1383 L1407 V1436 | F1375-T1379 HydrophobicContact CD2-CG2 3.79Å; F1375-T1379 HydrophobicContact CE2-CG2 3.48Å; F1375-T1379 VanDerWaalsContact CE2-CG2 3.48Å; F1375-T1379 HydrophobicContact CZ-CG2 4.06Å; F1375-T1379 WeakPolarHBondContact O-CG2 3.48Å; F1375-T1379 PolarHBondContact O-N 3.04Å; F1375-T1379 PolarHBondContact O-OG1 3.25Å; F1375-T1379 VanDerWaalsContact O-OG1 3.12Å; W1376-T1379 WeakPolarHBondContact CA-OG1 3.25Å; W1376-T1379 PolarHBondContact O-N 3.01Å; W1376-T1379 VanDerWaalsContact O-N 3.14Å; W1376-T1379 PolarHBondContact O-OG1 2.8Å; T1379-I1382 PolarHBondContact O-N 2.86Å; T1379-S1383 WeakPolarHBondContact O-CB 3.39Å; T1379-S1383 PolarHBondContact O-N 3.44Å; T1379-L1407 HydrophobicContact CG2-CD1 4.09Å; T1379-V1436 HydrophobicContact CG2-CG2 3.61Å |
| 1380 | K | 85.9 | Confident | 81.2 | Confident | 31 Ų | 31 | 20.8 Ų | 20.8 | 14% | 0.135 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 175.3 | -176.1 | -172.7 | 167.7 | -164.7 | 0 | 111.8 | D1283 S1286 E1287 W1376 V1378 S1383 S1384 D1435 | D1283-K1380 IonicContact OD1-NZ 2.63Å; D1283-K1380 PolarHBondContact OD1-NZ 2.92Å; S1286-K1380 WeakPolarHBondContact OG-CE 3.5Å; S1286-K1380 PolarHBondContact OG-NZ 3.4Å; E1287-K1380 IonicContact OE1-NZ 3.7Å; E1287-K1380 PolarHBondContact OE1-NZ 3.28Å; W1376-K1380 HydrophobicContact CZ2-CD 4.46Å; W1376-K1380 WeakPolarHBondContact O-CB 3.48Å; W1376-K1380 PolarHBondContact O-N 3.23Å; V1378-K1380 VanDerWaalsContact C-N 3.33Å; V1378-K1380 PolarHBondContact O-N 3.32Å; K1380-S1383 WeakPolarHBondContact O-CB 3.37Å; K1380-S1383 PolarHBondContact O-N 3.49Å; K1380-S1384 PolarHBondContact O-N 2.68Å; K1380-D1435 WeakPolarHBondContact CA-OD2 3.24Å |
| 1381 | F | 86.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 173.2 | 173.4 | -115.5 | 0 | 0 | 0 | 112.5 | L1285 V1289 L1307 L1340 V1343 S1377 V1378 S1383 S1384 L1385 | L1285-F1381 HydrophobicContact CB-CD2 3.68Å; L1285-F1381 HydrophobicContact CB-CE2 3.78Å; L1285-F1381 HydrophobicContact CB-CG 4.37Å; V1289-F1381 HydrophobicContact CG2-CD2 4.41Å; V1289-F1381 HydrophobicContact CG2-CE2 3.94Å; L1307-F1381 HydrophobicContact CD1-CE2 4.23Å; L1307-F1381 HydrophobicContact CD1-CZ 3.89Å; L1340-F1381 HydrophobicContact CD2-CE1 4.35Å; V1343-F1381 HydrophobicContact CG2-CD1 3.93Å; V1343-F1381 HydrophobicContact CG2-CE1 3.9Å; S1377-F1381 PolarHBondContact O-N 2.99Å; S1377-F1381 VanDerWaalsContact O-N 3.15Å; V1378-F1381 PolarHBondContact O-N 3.17Å; F1381-S1383 VanDerWaalsContact C-N 3.34Å; F1381-S1383 PolarHBondContact O-N 2.99Å; F1381-S1384 PolarHBondContact O-N 3.01Å; F1381-S1384 PolarHBondContact O-OG 3.09Å; F1381-L1385 HydrophobicContact CE1-CD1 3.94Å; F1381-L1385 HydrophobicContact CE2-CD1 4.34Å; F1381-L1385 HydrophobicContact CE2-CD2 4.28Å; F1381-L1385 HydrophobicContact CE2-CG 4.25Å; F1381-L1385 HydrophobicContact CZ-CD1 3.85Å; F1381-L1385 HydrophobicContact CZ-CD2 4.36Å; F1381-L1385 HydrophobicContact CZ-CG 4.25Å; F1381-L1385 WeakPolarHBondContact O-CG 3.39Å; F1381-L1385 PolarHBondContact O-N 3.36Å |
| 1382 | I | 86.1 | Confident | 81.2 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 176.3 | -59.1 | 165.3 | 0 | 0 | 0 | 110.4 | V1343 L1347 V1378 T1379 S1384 L1385 Y1386 F1403 L1407 I1439 | V1343-I1382 HydrophobicContact CG1-CD1 3.86Å; V1343-I1382 HydrophobicContact CG1-CG1 4.19Å; L1347-I1382 HydrophobicContact CD1-CD1 4.24Å; V1378-I1382 HydrophobicContact CG1-CD1 4.12Å; V1378-I1382 WeakPolarHBondContact O-CG1 3.45Å; V1378-I1382 PolarHBondContact O-N 3.39Å; V1378-I1382 VanDerWaalsContact O-N 3.07Å; T1379-I1382 PolarHBondContact O-N 2.86Å; I1382-S1384 PolarHBondContact O-N 3.43Å; I1382-L1385 PolarHBondContact O-N 3.28Å; I1382-Y1386 HydrophobicContact CG2-CD2 4.02Å; I1382-Y1386 HydrophobicContact CG2-CE2 3.99Å; I1382-Y1386 WeakPolarHBondContact O-CD2 3.25Å; I1382-Y1386 PolarHBondContact O-N 3.5Å; I1382-F1403 HydrophobicContact CD1-CE2 4.44Å; I1382-F1403 HydrophobicContact CG2-CZ 4.43Å; I1382-L1407 HydrophobicContact CD1-CD1 3.94Å; I1382-I1439 HydrophobicContact CB-CD1 3.8Å; I1382-I1439 HydrophobicContact CG2-CD1 3.57Å; I1382-I1439 HydrophobicContact CG2-CG1 4.07Å; I1382-I1439 HydrophobicContact CG2-CG2 4.37Å |
| 1383 | S | 85.3 | Confident | 81.1 | Confident | 8 Ų | 8 | 20.6 Ų | 20.6 | 6% | 0.056 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.5 | -45.8 | 176.6 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | T1379 K1380 F1381 L1385 Y1386 L1387 D1435 | T1379-S1383 WeakPolarHBondContact O-CB 3.39Å; T1379-S1383 PolarHBondContact O-N 3.44Å; K1380-S1383 WeakPolarHBondContact O-CB 3.37Å; K1380-S1383 PolarHBondContact O-N 3.49Å; F1381-S1383 VanDerWaalsContact C-N 3.34Å; F1381-S1383 PolarHBondContact O-N 2.99Å; S1383-L1385 PolarHBondContact O-N 3.23Å; S1383-Y1386 PolarHBondContact O-N 2.69Å; S1383-L1387 WeakPolarHBondContact O-CB 3.4Å; S1383-L1387 PolarHBondContact O-N 2.83Å; S1383-D1435 VanDerWaalsContact CB-OD1 3.23Å; S1383-D1435 WeakPolarHBondContact CB-OD1 3.37Å; S1383-D1435 PolarHBondContact OG-OD1 2.94Å |
| 1384 | S | 82.7 | Confident | 81 | Confident | 4 Ų | 4 | 19 Ų | 19 | 3% | 0.028 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.6 | -35.3 | 177.9 | 70.2 | 0 | 0 | 0 | 0 | 113.7 | V1289 K1380 F1381 I1382 Y1386 L1387 L1388 | V1289-S1384 WeakPolarHBondContact CG1-OG 3.42Å; K1380-S1384 PolarHBondContact O-N 2.68Å; F1381-S1384 PolarHBondContact O-N 3.01Å; F1381-S1384 PolarHBondContact O-OG 3.09Å; I1382-S1384 PolarHBondContact O-N 3.43Å; S1384-Y1386 VanDerWaalsContact C-N 3.34Å; S1384-Y1386 PolarHBondContact O-N 3.32Å; S1384-L1387 PolarHBondContact O-N 3.38Å; S1384-L1388 PolarHBondContact O-N 2.8Å; S1384-L1388 VanDerWaalsContact O-N 3.12Å |
| 1385 | L | 82.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.5 | -41 | 173.1 | -68.7 | 176.3 | 0 | 0 | 0 | 112.2 | V1289 L1307 L1340 F1381 I1382 S1383 N1389 I1390 C1393 L1397 | V1289-L1385 HydrophobicContact CG1-CD2 4.37Å; V1289-L1385 HydrophobicContact CG2-CD2 3.98Å; L1307-L1385 HydrophobicContact CD2-CD2 3.69Å; L1340-L1385 HydrophobicContact CD2-CD1 4.46Å; F1381-L1385 HydrophobicContact CE1-CD1 3.94Å; F1381-L1385 HydrophobicContact CE2-CD1 4.34Å; F1381-L1385 HydrophobicContact CE2-CD2 4.28Å; F1381-L1385 HydrophobicContact CE2-CG 4.25Å; F1381-L1385 HydrophobicContact CZ-CD1 3.85Å; F1381-L1385 HydrophobicContact CZ-CD2 4.36Å; F1381-L1385 HydrophobicContact CZ-CG 4.25Å; F1381-L1385 WeakPolarHBondContact O-CG 3.39Å; F1381-L1385 PolarHBondContact O-N 3.36Å; I1382-L1385 PolarHBondContact O-N 3.28Å; S1383-L1385 PolarHBondContact O-N 3.23Å; L1385-N1389 PolarHBondContact O-N 2.93Å; L1385-I1390 HydrophobicContact CD2-CD1 4.18Å; L1385-I1390 PolarHBondContact O-N 2.89Å; L1385-I1390 VanDerWaalsContact O-N 3.1Å; L1385-C1393 HydrophobicContact CD1-CB 4.39Å; L1385-C1393 HydrophobicContact CD2-CB 4.31Å; L1385-L1397 HydrophobicContact CD1-CD1 4.13Å |
| 1386 | Y | 84 | Confident | 80.1 | Confident | 5 Ų | 5 | 23.6 Ų | 23.6 | 2% | 0.02 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -70.9 | -41.7 | 176.2 | -89.1 | -99.1 | 0 | 0 | 0 | 112 | I1382 S1383 S1384 L1388 N1389 I1394 K1398 I1439 L1442 E1443 | I1382-Y1386 HydrophobicContact CG2-CD2 4.02Å; I1382-Y1386 HydrophobicContact CG2-CE2 3.99Å; I1382-Y1386 WeakPolarHBondContact O-CD2 3.25Å; I1382-Y1386 PolarHBondContact O-N 3.5Å; S1383-Y1386 PolarHBondContact O-N 2.69Å; S1384-Y1386 VanDerWaalsContact C-N 3.34Å; S1384-Y1386 PolarHBondContact O-N 3.32Å; Y1386-L1388 PolarHBondContact O-N 3.32Å; Y1386-N1389 WeakPolarHBondContact O-CA 3.13Å; Y1386-N1389 PolarHBondContact O-N 3.47Å; Y1386-I1394 HydrophobicContact CD1-CD1 4.48Å; Y1386-I1394 HydrophobicContact CD2-CG1 4.35Å; Y1386-I1394 HydrophobicContact CE1-CG2 4.02Å; Y1386-I1394 HydrophobicContact CE2-CG1 4.43Å; Y1386-I1394 HydrophobicContact CE2-CG2 4.18Å; Y1386-I1394 HydrophobicContact CG-CD1 4.38Å; Y1386-K1398 WeakPolarHBondContact OH-CE 3.26Å; Y1386-I1439 HydrophobicContact CD2-CG1 4.35Å; Y1386-I1439 HydrophobicContact CD2-CG2 4.01Å; Y1386-I1439 HydrophobicContact CE1-CG2 4.34Å; Y1386-I1439 HydrophobicContact CE2-CG2 3.74Å; Y1386-I1439 HydrophobicContact CG-CG2 4.4Å; Y1386-L1442 HydrophobicContact CD1-CB 4.1Å; Y1386-E1443 HydrophobicContact CE1-CB 4.13Å |
| 1387 | L | 81.1 | Confident | 79.6 | Confident | 110 Ų | 110 | 21.9 Ų | 21.9 | 58% | 0.576 | 12% | 0.118 | S | C | * | . | H | α-helix | trans | -63.5 | -38.6 | -177.7 | -169.3 | 135.1 | 0 | 0 | 0 | 112.6 | L1290 S1383 S1384 | L1290-L1387 HydrophobicContact CD2-CD2 4.33Å; S1383-L1387 WeakPolarHBondContact O-CB 3.4Å; S1383-L1387 PolarHBondContact O-N 2.83Å; S1384-L1387 PolarHBondContact O-N 3.38Å |
| 1388 | L | 76.2 | Confident | 79.2 | Confident | 40 Ų | 40 | 23.2 Ų | 23.2 | 21% | 0.209 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 8.1 | 171.9 | -64.4 | -178.5 | 0 | 0 | 0 | 114 | V1289 S1292 E1293 S1384 Y1386 I1390 | V1289-L1388 HydrophobicContact CG1-CD1 4.01Å; V1289-L1388 WeakPolarHBondContact O-CD1 3.46Å; S1292-L1388 WeakPolarHBondContact OG-CD1 3.42Å; E1293-L1388 HydrophobicContact CG-CD2 4.21Å; S1384-L1388 PolarHBondContact O-N 2.8Å; S1384-L1388 VanDerWaalsContact O-N 3.12Å; Y1386-L1388 PolarHBondContact O-N 3.32Å; L1388-I1390 VanDerWaalsContact C-N 3.34Å; L1388-I1390 HydrophobicContact CB-CD1 4.42Å; L1388-I1390 HydrophobicContact CB-CG1 4.14Å; L1388-I1390 PolarHBondContact O-N 2.97Å |
| 1389 | N | 74.4 | Confident | 78.5 | Confident | 46 Ų | 46 | 29 Ų | 29 | 25% | 0.246 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 43.9 | 171.6 | -160.1 | -3 | 0 | 0 | 0 | 114.2 | L1385 Y1386 Q1391 | L1385-N1389 PolarHBondContact O-N 2.93Å; Y1386-N1389 WeakPolarHBondContact O-CA 3.13Å; Y1386-N1389 PolarHBondContact O-N 3.47Å; N1389-Q1391 PolarHBondContact O-N 3.1Å; N1389-Q1391 WeakPolarHBondContact OD1-CG 3.29Å; N1389-Q1391 PolarHBondContact OD1-NE2 2.85Å |
| 1390 | I | 75 | Confident | 77.9 | Confident | 9 Ų | 9 | 31.2 Ų | 31.2 | 5% | 0.046 | 16% | 0.159 | C | C | . | . | trans | -78.7 | 71.1 | -177.7 | -47.7 | -175.6 | 0 | 0 | 0 | 110 | V1289 L1307 L1385 L1388 P1392 C1393 I1394 | V1289-I1390 HydrophobicContact CG1-CD1 4.02Å; L1307-I1390 HydrophobicContact CD2-CD1 4.48Å; L1385-I1390 HydrophobicContact CD2-CD1 4.18Å; L1385-I1390 PolarHBondContact O-N 2.89Å; L1385-I1390 VanDerWaalsContact O-N 3.1Å; L1388-I1390 VanDerWaalsContact C-N 3.34Å; L1388-I1390 HydrophobicContact CB-CD1 4.42Å; L1388-I1390 HydrophobicContact CB-CG1 4.14Å; L1388-I1390 PolarHBondContact O-N 2.97Å; I1390-P1392 VanDerWaalsContact C-CD 3.42Å; I1390-P1392 VanDerWaalsContact O-N 3.16Å; I1390-C1393 HydrophobicContact CG2-CB 4.4Å; I1390-C1393 WeakPolarHBondContact O-CB 3.48Å; I1390-C1393 PolarHBondContact O-N 3.18Å; I1390-I1394 PolarHBondContact O-N 3.23Å | ||
| 1391 | Q | 74.6 | Confident | 76.8 | Confident | 55 Ų | 55 | 34.8 Ų | 34.8 | 26% | 0.257 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -50.4 | -39.1 | -170.1 | -77 | -63.4 | -25.3 | 0 | 0 | 116.3 | N1389 C1393 I1394 V1395 | N1389-Q1391 PolarHBondContact O-N 3.1Å; N1389-Q1391 WeakPolarHBondContact OD1-CG 3.29Å; N1389-Q1391 PolarHBondContact OD1-NE2 2.85Å; Q1391-C1393 PolarHBondContact O-N 3.17Å; Q1391-I1394 PolarHBondContact O-N 3.41Å; Q1391-V1395 WeakPolarHBondContact O-CB 3.33Å; Q1391-V1395 WeakPolarHBondContact O-CG2 3.42Å; Q1391-V1395 PolarHBondContact O-N 3.42Å |
| 1392 | P | 70.6 | Confident | 76 | Confident | 43 Ų | 43 | 39 Ų | 39 | 28% | 0.279 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.5 | -35.6 | 176.5 | -27.1 | 36.1 | 0 | 0 | 0 | 113.6 | L1323 I1390 N1396 | L1323-P1392 HydrophobicContact CD2-CB 4.49Å; I1390-P1392 VanDerWaalsContact C-CD 3.42Å; I1390-P1392 VanDerWaalsContact O-N 3.16Å; P1392-N1396 VanDerWaalsContact O-CB 3.29Å; P1392-N1396 WeakPolarHBondContact O-CB 3.16Å; P1392-N1396 PolarHBondContact O-N 3.04Å |
| 1393 | C | 72.7 | Confident | 75.7 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 3% | 0.027 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -79.6 | -43.2 | 178.5 | -51.4 | 0 | 0 | 0 | 0 | 111.1 | L1311 L1385 I1390 Q1391 V1395 N1396 L1397 | L1311-C1393 VanDerWaalsContact CD1-SG 3.54Å; L1385-C1393 HydrophobicContact CD1-CB 4.39Å; L1385-C1393 HydrophobicContact CD2-CB 4.31Å; I1390-C1393 HydrophobicContact CG2-CB 4.4Å; I1390-C1393 WeakPolarHBondContact O-CB 3.48Å; I1390-C1393 PolarHBondContact O-N 3.18Å; Q1391-C1393 PolarHBondContact O-N 3.17Å; C1393-V1395 PolarHBondContact O-N 3.36Å; C1393-N1396 PolarHBondContact O-N 3.22Å; C1393-L1397 PolarHBondContact O-N 3.17Å |
| 1394 | I | 76.5 | Confident | 75.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.4 | -45.9 | 178.9 | -63.2 | 170.2 | 0 | 0 | 0 | 111.1 | Y1386 I1390 Q1391 K1398 | Y1386-I1394 HydrophobicContact CD1-CD1 4.48Å; Y1386-I1394 HydrophobicContact CD2-CG1 4.35Å; Y1386-I1394 HydrophobicContact CE1-CG2 4.02Å; Y1386-I1394 HydrophobicContact CE2-CG1 4.43Å; Y1386-I1394 HydrophobicContact CE2-CG2 4.18Å; Y1386-I1394 HydrophobicContact CG-CD1 4.38Å; I1390-I1394 PolarHBondContact O-N 3.23Å; Q1391-I1394 PolarHBondContact O-N 3.41Å; I1394-K1398 HydrophobicContact CG2-CD 4.13Å; I1394-K1398 VanDerWaalsContact O-CG 3.27Å; I1394-K1398 WeakPolarHBondContact O-CG 3.2Å; I1394-K1398 PolarHBondContact O-N 2.92Å; I1394-K1398 VanDerWaalsContact O-N 3.14Å |
| 1395 | V | 74 | Confident | 75.5 | Confident | 57 Ų | 57 | 43.2 Ų | 43.2 | 35% | 0.345 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.6 | -40.7 | 178 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | Q1391 C1393 K1398 Q1399 | Q1391-V1395 WeakPolarHBondContact O-CB 3.33Å; Q1391-V1395 WeakPolarHBondContact O-CG2 3.42Å; Q1391-V1395 PolarHBondContact O-N 3.42Å; C1393-V1395 PolarHBondContact O-N 3.36Å; V1395-K1398 PolarHBondContact O-N 3.21Å; V1395-Q1399 HydrophobicContact CG1-CG 4.49Å; V1395-Q1399 WeakPolarHBondContact O-CG 3.5Å; V1395-Q1399 PolarHBondContact O-N 3.22Å; V1395-Q1399 VanDerWaalsContact O-N 3.09Å |
| 1396 | N | 74 | Confident | 75.2 | Confident | 47 Ų | 47 | 43.4 Ų | 43.4 | 25% | 0.251 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.7 | -41.2 | 179.6 | -167.1 | -2.3 | 0 | 0 | 0 | 112 | L1340 P1392 C1393 Q1399 R1400 | L1340-N1396 HydrophobicContact CD1-CB 4.16Å; P1392-N1396 VanDerWaalsContact O-CB 3.29Å; P1392-N1396 WeakPolarHBondContact O-CB 3.16Å; P1392-N1396 PolarHBondContact O-N 3.04Å; C1393-N1396 PolarHBondContact O-N 3.22Å; N1396-Q1399 PolarHBondContact O-N 2.92Å; N1396-R1400 PolarHBondContact ND2-NH2 3.04Å; N1396-R1400 PolarHBondContact O-NE 2.92Å; N1396-R1400 PolarHBondContact OD1-NE 3.1Å; N1396-R1400 PolarHBondContact OD1-NH2 2.79Å |
| 1397 | L | 74.6 | Confident | 75.2 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 170.7 | -79.9 | 169 | 0 | 0 | 0 | 112.1 | L1340 V1343 I1344 L1385 C1393 Q1399 R1400 F1403 | L1340-L1397 HydrophobicContact CB-CD2 3.87Å; L1340-L1397 HydrophobicContact CB-CG 4.37Å; L1340-L1397 HydrophobicContact CD1-CG 4.31Å; L1340-L1397 HydrophobicContact CD2-CD1 4.23Å; L1340-L1397 HydrophobicContact CD2-CD2 4.12Å; L1340-L1397 HydrophobicContact CD2-CG 4.08Å; L1340-L1397 HydrophobicContact CG-CD2 4.43Å; L1340-L1397 HydrophobicContact CG-CG 4.48Å; V1343-L1397 HydrophobicContact CG1-CD2 4.42Å; I1344-L1397 HydrophobicContact CD1-CD2 4.29Å; I1344-L1397 HydrophobicContact CG1-CD2 4.36Å; L1385-L1397 HydrophobicContact CD1-CD1 4.13Å; C1393-L1397 PolarHBondContact O-N 3.17Å; L1397-Q1399 VanDerWaalsContact C-N 3.25Å; L1397-Q1399 PolarHBondContact O-N 3.4Å; L1397-R1400 PolarHBondContact O-N 3.04Å; L1397-F1403 HydrophobicContact CB-CD2 4.34Å; L1397-F1403 HydrophobicContact CB-CE2 4.16Å; L1397-F1403 HydrophobicContact CB-CZ 4.49Å; L1397-F1403 HydrophobicContact CD1-CE2 4.44Å; L1397-F1403 HydrophobicContact CD2-CD2 4.28Å; L1397-F1403 HydrophobicContact CD2-CE2 4.09Å; L1397-F1403 HydrophobicContact CG-CE2 4.47Å |
| 1398 | K | 74.7 | Confident | 75.1 | Confident | 27 Ų | 27 | 38 Ų | 38 | 12% | 0.117 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.5 | -20.9 | -179.3 | -70.9 | 169.5 | -173.5 | 178.8 | 0 | 114.8 | Y1386 I1394 V1395 R1400 W1404 E1443 S1456 | Y1386-K1398 WeakPolarHBondContact OH-CE 3.26Å; I1394-K1398 HydrophobicContact CG2-CD 4.13Å; I1394-K1398 VanDerWaalsContact O-CG 3.27Å; I1394-K1398 WeakPolarHBondContact O-CG 3.2Å; I1394-K1398 PolarHBondContact O-N 2.92Å; I1394-K1398 VanDerWaalsContact O-N 3.14Å; V1395-K1398 PolarHBondContact O-N 3.21Å; K1398-R1400 VanDerWaalsContact C-N 3.33Å; K1398-W1404 HydrophobicContact CG-CZ2 4.44Å; K1398-E1443 VanDerWaalsContact CE-CD 3.44Å; K1398-E1443 WeakPolarHBondContact CE-OE1 3.26Å; K1398-E1443 VanDerWaalsContact CE-OE2 3.27Å; K1398-E1443 WeakPolarHBondContact CE-OE2 3.38Å; K1398-E1443 IonicContact NZ-OE1 3.82Å; K1398-E1443 PolarHBondContact NZ-OE1 2.89Å; K1398-E1443 IonicContact NZ-OE2 3.75Å; K1398-E1443 PolarHBondContact NZ-OE2 3.3Å; K1398-S1456 VanDerWaalsContact O-CB 3.31Å; K1398-S1456 WeakPolarHBondContact O-CB 3.49Å |
| 1399 | Q | 71.7 | Confident | 75.3 | Confident | 122 Ų | 122 | 38 Ų | 38 | 57% | 0.57 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -10.9 | 178 | -76.7 | 176.8 | -7.6 | 0 | 0 | 112.9 | V1395 N1396 L1397 | V1395-Q1399 HydrophobicContact CG1-CG 4.49Å; V1395-Q1399 WeakPolarHBondContact O-CG 3.5Å; V1395-Q1399 PolarHBondContact O-N 3.22Å; V1395-Q1399 VanDerWaalsContact O-N 3.09Å; N1396-Q1399 PolarHBondContact O-N 2.92Å; L1397-Q1399 VanDerWaalsContact C-N 3.25Å; L1397-Q1399 PolarHBondContact O-N 3.4Å |
| 1400 | R | 71.6 | Confident | 75.4 | Confident | 46 Ų | 46 | 36.3 Ų | 36.3 | 17% | 0.174 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -89.2 | 142.3 | -179.6 | -65.4 | 172.6 | -161.7 | -157.9 | 8 | 110.7 | D1338 L1340 D1341 I1344 N1396 L1397 K1398 | D1338-R1400 VanDerWaalsContact CG-NH2 3.35Å; D1338-R1400 IonicContact OD1-CZ 3.08Å; D1338-R1400 IonicContact OD1-NH1 2.67Å; D1338-R1400 PolarHBondContact OD1-NH1 3.31Å; D1338-R1400 IonicContact OD1-NH2 2.94Å; D1338-R1400 PolarHBondContact OD1-NH2 3.2Å; D1338-R1400 IonicContact OD2-CZ 2.68Å; D1338-R1400 IonicContact OD2-NH1 3.87Å; D1338-R1400 IonicContact OD2-NH2 3.81Å; D1338-R1400 PolarHBondContact OD2-NH2 3.44Å; L1340-R1400 VanDerWaalsContact C-NH1 3.33Å; D1341-R1400 IonicContact OD1-CZ 3.17Å; D1341-R1400 IonicContact OD1-NH1 3.93Å; D1341-R1400 PolarHBondContact OD1-NH1 2.74Å; D1341-R1400 IonicContact OD2-NH1 3.78Å; D1341-R1400 PolarHBondContact OD2-NH1 3.46Å; I1344-R1400 HydrophobicContact CD1-CB 3.42Å; I1344-R1400 VanDerWaalsContact CD1-CB 3.42Å; I1344-R1400 HydrophobicContact CD1-CG 4.11Å; N1396-R1400 PolarHBondContact ND2-NH2 3.04Å; N1396-R1400 PolarHBondContact O-NE 2.92Å; N1396-R1400 PolarHBondContact OD1-NE 3.1Å; N1396-R1400 PolarHBondContact OD1-NH2 2.79Å; L1397-R1400 PolarHBondContact O-N 3.04Å; K1398-R1400 VanDerWaalsContact C-N 3.33Å |
| 1401 | C | 64.1 | Low | 75.8 | Confident | 107 Ų | 107 | 35.9 Ų | 35.9 | 72% | 0.723 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 139.8 | -170.2 | -63.9 | 0 | 0 | 0 | 0 | 111.9 | F1403 | C1401-F1403 PolarHBondContact O-N 3.48Š|
| 1402 | D | 68.8 | Low | 76.1 | Confident | 88 Ų | 88 | 33.6 Ų | 33.6 | 47% | 0.471 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 7 | 176.6 | -66.9 | -67.2 | 0 | 0 | 0 | 117.9 | W1404 K1405 T1406 | D1402-W1404 VanDerWaalsContact C-N 3.27Å; D1402-W1404 PolarHBondContact O-N 2.91Å; D1402-K1405 PolarHBondContact O-N 2.69Å; D1402-K1405 WeakPolarHBondContact OD1-CD 3.14Å; D1402-K1405 WeakPolarHBondContact OD1-CE 3.11Å; D1402-K1405 IonicContact OD1-NZ 2.7Å; D1402-K1405 PolarHBondContact OD1-NZ 3.42Å; D1402-T1406 PolarHBondContact O-N 3.47Å; D1402-T1406 PolarHBondContact O-OG1 3.17Å |
| 1403 | F | 81 | Confident | 76.4 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -37.4 | -51.6 | -180 | 167.7 | -101.5 | 0 | 0 | 0 | 114.2 | I1344 I1382 L1397 C1401 K1405 T1406 L1407 | I1344-F1403 HydrophobicContact CD1-CD2 4.34Å; I1344-F1403 HydrophobicContact CG1-CD2 4.35Å; I1382-F1403 HydrophobicContact CD1-CE2 4.44Å; I1382-F1403 HydrophobicContact CG2-CZ 4.43Å; L1397-F1403 HydrophobicContact CB-CD2 4.34Å; L1397-F1403 HydrophobicContact CB-CE2 4.16Å; L1397-F1403 HydrophobicContact CB-CZ 4.49Å; L1397-F1403 HydrophobicContact CD1-CE2 4.44Å; L1397-F1403 HydrophobicContact CD2-CD2 4.28Å; L1397-F1403 HydrophobicContact CD2-CE2 4.09Å; L1397-F1403 HydrophobicContact CG-CE2 4.47Å; C1401-F1403 PolarHBondContact O-N 3.48Å; F1403-K1405 PolarHBondContact O-N 2.77Å; F1403-T1406 VanDerWaalsContact CA-OG1 3.29Å; F1403-T1406 WeakPolarHBondContact CA-OG1 3.39Å; F1403-T1406 PolarHBondContact O-N 3.2Å; F1403-T1406 PolarHBondContact O-OG1 3.11Å; F1403-L1407 HydrophobicContact CE1-CD2 4.39Å; F1403-L1407 HydrophobicContact CZ-CD2 4.07Å; F1403-L1407 WeakPolarHBondContact O-CB 3.49Å; F1403-L1407 PolarHBondContact O-N 3.35Å |
| 1404 | W | 83.7 | Confident | 76.5 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.4 | -40.8 | -178.6 | -70.2 | 112.7 | 0 | 0 | 0 | 113.3 | K1398 D1402 L1407 T1408 I1439 L1440 E1443 F1460 V1463 | K1398-W1404 HydrophobicContact CG-CZ2 4.44Å; D1402-W1404 VanDerWaalsContact C-N 3.27Å; D1402-W1404 PolarHBondContact O-N 2.91Å; W1404-L1407 HydrophobicContact CE3-CD2 4.37Å; W1404-L1407 HydrophobicContact CZ3-CD2 4.33Å; W1404-L1407 PolarHBondContact O-N 3.11Å; W1404-T1408 PolarHBondContact O-N 2.98Å; W1404-T1408 PolarHBondContact O-OG1 2.85Å; W1404-I1439 HydrophobicContact CH2-CG2 4.41Å; W1404-I1439 HydrophobicContact CZ3-CG2 4.2Å; W1404-L1440 HydrophobicContact CE3-CD2 4.24Å; W1404-L1440 HydrophobicContact CZ3-CD2 3.92Å; W1404-E1443 HydrophobicContact CH2-CB 3.96Å; W1404-E1443 HydrophobicContact CH2-CG 3.85Å; W1404-E1443 HydrophobicContact CZ2-CB 4.46Å; W1404-E1443 HydrophobicContact CZ2-CG 3.84Å; W1404-F1460 HydrophobicContact CD2-CB 4.36Å; W1404-F1460 HydrophobicContact CD2-CD2 4.08Å; W1404-F1460 AromaticContact CE2-CD2 3.93Å; W1404-F1460 HydrophobicContact CE3-CD2 4.05Å; W1404-F1460 HydrophobicContact CG-CB 4.49Å; W1404-F1460 AromaticContact CH2-CD2 3.78Å; W1404-F1460 HydrophobicContact CH2-CD2 3.78Å; W1404-F1460 HydrophobicContact CH2-CE2 4.12Å; W1404-F1460 HydrophobicContact CZ2-CB 4.49Å; W1404-F1460 AromaticContact CZ2-CD2 3.79Å; W1404-F1460 HydrophobicContact CZ2-CD2 3.79Å; W1404-F1460 HydrophobicContact CZ2-CG 4.45Å; W1404-F1460 AromaticContact CZ3-CD2 3.92Å; W1404-F1460 HydrophobicContact CZ3-CD2 3.92Å; W1404-F1460 HydrophobicContact CZ3-CE2 4.25Å; W1404-V1463 HydrophobicContact CB-CG2 4.27Å |
| 1405 | K | 79.1 | Confident | 76.5 | Confident | 95 Ų | 95 | 33.9 Ų | 33.9 | 41% | 0.413 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68.7 | -46.5 | 176 | -61.6 | -178.9 | -166.8 | 150.4 | 0 | 111.1 | D1402 F1403 L1407 T1408 D1409 | D1402-K1405 PolarHBondContact O-N 2.69Å; D1402-K1405 WeakPolarHBondContact OD1-CD 3.14Å; D1402-K1405 WeakPolarHBondContact OD1-CE 3.11Å; D1402-K1405 IonicContact OD1-NZ 2.7Å; D1402-K1405 PolarHBondContact OD1-NZ 3.42Å; F1403-K1405 PolarHBondContact O-N 2.77Å; K1405-L1407 PolarHBondContact O-N 3.23Å; K1405-T1408 PolarHBondContact O-N 3.39Å; K1405-T1408 VanDerWaalsContact O-N 3.14Å; K1405-D1409 VanDerWaalsContact O-CB 3.31Å; K1405-D1409 WeakPolarHBondContact O-CB 3.34Å; K1405-D1409 VanDerWaalsContact O-CG 3.23Å; K1405-D1409 PolarHBondContact O-N 2.85Å |
| 1406 | T | 77.8 | Confident | 76.5 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.3 | -28.6 | 178.6 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | K1348 D1402 F1403 P1410 | K1348-T1406 HydrophobicContact CG-CG2 3.85Å; D1402-T1406 PolarHBondContact O-N 3.47Å; D1402-T1406 PolarHBondContact O-OG1 3.17Å; F1403-T1406 VanDerWaalsContact CA-OG1 3.29Å; F1403-T1406 WeakPolarHBondContact CA-OG1 3.39Å; F1403-T1406 PolarHBondContact O-N 3.2Å; F1403-T1406 PolarHBondContact O-OG1 3.11Å; T1406-P1410 WeakPolarHBondContact O-CD 3.24Å |
| 1407 | L | 82.4 | Confident | 76.2 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -77.8 | -45.1 | 173.1 | -176.1 | 65.1 | 0 | 0 | 0 | 112.8 | L1347 F1375 T1379 I1382 F1403 W1404 K1405 I1439 | L1347-L1407 HydrophobicContact CD1-CD1 4.36Å; F1375-L1407 WeakPolarHBondContact CZ-O 3.23Å; T1379-L1407 HydrophobicContact CG2-CD1 4.09Å; I1382-L1407 HydrophobicContact CD1-CD1 3.94Å; F1403-L1407 HydrophobicContact CE1-CD2 4.39Å; F1403-L1407 HydrophobicContact CZ-CD2 4.07Å; F1403-L1407 WeakPolarHBondContact O-CB 3.49Å; F1403-L1407 PolarHBondContact O-N 3.35Å; W1404-L1407 HydrophobicContact CE3-CD2 4.37Å; W1404-L1407 HydrophobicContact CZ3-CD2 4.33Å; W1404-L1407 PolarHBondContact O-N 3.11Å; K1405-L1407 PolarHBondContact O-N 3.23Å; L1407-I1439 HydrophobicContact CD2-CG2 4.22Å |
| 1408 | T | 80.7 | Confident | 76 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -93.8 | -26.8 | -170.1 | 60.7 | 0 | 0 | 0 | 0 | 115.6 | W1404 K1405 F1411 F1412 V1463 | W1404-T1408 PolarHBondContact O-N 2.98Å; W1404-T1408 PolarHBondContact O-OG1 2.85Å; K1405-T1408 PolarHBondContact O-N 3.39Å; K1405-T1408 VanDerWaalsContact O-N 3.14Å; T1408-F1411 WeakPolarHBondContact O-CB 3.48Å; T1408-F1411 PolarHBondContact O-N 3.21Å; T1408-F1412 VanDerWaalsContact CB-CE2 3.48Å; T1408-F1412 HydrophobicContact CG2-CZ 4.37Å; T1408-F1412 WeakPolarHBondContact O-CB 3.23Å; T1408-F1412 VanDerWaalsContact O-CD2 3.25Å; T1408-F1412 WeakPolarHBondContact O-CD2 3.39Å; T1408-F1412 WeakPolarHBondContact O-CG 3.41Å; T1408-F1412 PolarHBondContact O-N 3.38Å; T1408-F1412 WeakPolarHBondContact OG1-CE2 3.25Å; T1408-V1463 HydrophobicContact CG2-CG1 3.78Å |
| 1409 | D | 79.8 | Confident | 75.5 | Confident | 41 Ų | 41 | 42.4 Ų | 42.4 | 22% | 0.219 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -41.3 | -177.3 | -68.2 | -4.9 | 0 | 0 | 0 | 113.2 | Q1351 K1405 F1411 F1412 T1413 | Q1351-D1409 HydrophobicContact CG-CB 4.36Å; Q1351-D1409 PolarHBondContact NE2-OD2 2.92Å; K1405-D1409 VanDerWaalsContact O-CB 3.31Å; K1405-D1409 WeakPolarHBondContact O-CB 3.34Å; K1405-D1409 VanDerWaalsContact O-CG 3.23Å; K1405-D1409 PolarHBondContact O-N 2.85Å; D1409-F1411 VanDerWaalsContact C-N 3.35Å; D1409-F1411 PolarHBondContact O-N 3.47Å; D1409-F1412 PolarHBondContact O-N 3.32Å; D1409-T1413 PolarHBondContact O-N 2.8Å; D1409-T1413 PolarHBondContact O-OG1 2.9Å |
| 1410 | P | 76.4 | Confident | 75.1 | Confident | 10 Ų | 10 | 41.2 Ų | 41.2 | 7% | 0.065 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.5 | -39.2 | 173.6 | -20.1 | 33.2 | 0 | 0 | 0 | 112.1 | Q1351 F1375 T1406 T1413 L1414 | Q1351-P1410 HydrophobicContact CB-CG 4.23Å; F1375-P1410 HydrophobicContact CD1-CB 4.19Å; F1375-P1410 HydrophobicContact CE1-CB 3.76Å; F1375-P1410 HydrophobicContact CZ-CB 3.95Å; F1375-P1410 HydrophobicContact CZ-CG 4.45Å; T1406-P1410 WeakPolarHBondContact O-CD 3.24Å; P1410-T1413 PolarHBondContact O-N 2.97Å; P1410-L1414 PolarHBondContact O-N 2.88Å |
| 1411 | F | 82.3 | Confident | 74.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.9 | -42.5 | 176.2 | 162.2 | -100.5 | 0 | 0 | 0 | 112.3 | F1375 T1408 D1409 T1413 L1414 L1415 L1432 C1433 V1436 V1437 F1467 W1515 | F1375-F1411 HydrophobicContact CE1-CB 3.97Å; F1375-F1411 HydrophobicContact CZ-CB 3.98Å; T1408-F1411 WeakPolarHBondContact O-CB 3.48Å; T1408-F1411 PolarHBondContact O-N 3.21Å; D1409-F1411 VanDerWaalsContact C-N 3.35Å; D1409-F1411 PolarHBondContact O-N 3.47Å; F1411-T1413 VanDerWaalsContact C-N 3.3Å; F1411-T1413 PolarHBondContact O-N 3.02Å; F1411-L1414 PolarHBondContact O-N 3.32Å; F1411-L1415 HydrophobicContact CD1-CD1 4.39Å; F1411-L1415 HydrophobicContact CD2-CD1 4.47Å; F1411-L1415 HydrophobicContact CD2-CG 4.49Å; F1411-L1415 HydrophobicContact CE1-CD1 3.75Å; F1411-L1415 HydrophobicContact CE2-CD1 3.84Å; F1411-L1415 HydrophobicContact CE2-CG 4.13Å; F1411-L1415 HydrophobicContact CZ-CD1 3.46Å; F1411-L1415 VanDerWaalsContact CZ-CD1 3.46Å; F1411-L1415 HydrophobicContact CZ-CG 4.26Å; F1411-L1415 PolarHBondContact O-N 2.82Å; F1411-L1432 HydrophobicContact CD2-CD2 4.24Å; F1411-C1433 HydrophobicContact CE2-CB 4.06Å; F1411-V1436 HydrophobicContact CB-CG1 4.47Å; F1411-V1436 HydrophobicContact CB-CG2 4.46Å; F1411-V1436 HydrophobicContact CD1-CG1 3.96Å; F1411-V1436 HydrophobicContact CD2-CB 4.24Å; F1411-V1436 HydrophobicContact CD2-CG1 4.25Å; F1411-V1436 HydrophobicContact CD2-CG2 4.28Å; F1411-V1436 HydrophobicContact CE1-CG1 4.19Å; F1411-V1436 HydrophobicContact CE2-CB 4.41Å; F1411-V1436 HydrophobicContact CE2-CG1 4.47Å; F1411-V1436 HydrophobicContact CG-CB 4.42Å; F1411-V1436 HydrophobicContact CG-CG1 3.98Å; F1411-V1436 HydrophobicContact CG-CG2 4.41Å; F1411-V1436 HydrophobicContact CZ-CG1 4.42Å; F1411-V1437 HydrophobicContact CZ-CG2 4.33Å; F1411-F1467 HydrophobicContact CE1-CE2 4.26Å; F1411-F1467 AromaticContact CE1-CZ 3.69Å; F1411-F1467 HydrophobicContact CE1-CZ 3.69Å; F1411-F1467 HydrophobicContact CZ-CZ 4.25Å; F1411-W1515 HydrophobicContact CZ-CH2 4.34Å; F1411-W1515 HydrophobicContact CZ-CZ2 4.03Å |
| 1412 | F | 82.6 | Confident | 74.1 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.3 | -31.2 | 174 | -63.7 | -33.7 | 0 | 0 | 0 | 112.7 | T1408 D1409 R1416 V1463 Y1466 F1467 L1472 | T1408-F1412 VanDerWaalsContact CB-CE2 3.48Å; T1408-F1412 HydrophobicContact CG2-CZ 4.37Å; T1408-F1412 WeakPolarHBondContact O-CB 3.23Å; T1408-F1412 VanDerWaalsContact O-CD2 3.25Å; T1408-F1412 WeakPolarHBondContact O-CD2 3.39Å; T1408-F1412 WeakPolarHBondContact O-CG 3.41Å; T1408-F1412 PolarHBondContact O-N 3.38Å; T1408-F1412 WeakPolarHBondContact OG1-CE2 3.25Å; D1409-F1412 PolarHBondContact O-N 3.32Å; F1412-R1416 WeakPolarHBondContact O-CG 3.46Å; F1412-R1416 PolarHBondContact O-N 3.42Å; F1412-V1463 HydrophobicContact CZ-CG1 4.11Å; F1412-Y1466 HydrophobicContact CB-CE1 4.13Å; F1412-Y1466 HydrophobicContact CD1-CD1 4.28Å; F1412-Y1466 AromaticContact CD1-CE1 3.82Å; F1412-Y1466 HydrophobicContact CD1-CE1 3.82Å; F1412-Y1466 AromaticContact CD2-CD1 3.81Å; F1412-Y1466 HydrophobicContact CD2-CD1 3.81Å; F1412-Y1466 AromaticContact CD2-CE1 3.35Å; F1412-Y1466 HydrophobicContact CD2-CE1 3.35Å; F1412-Y1466 AromaticContact CD2-CZ 3.95Å; F1412-Y1466 AromaticContact CE1-CD1 3.94Å; F1412-Y1466 HydrophobicContact CE1-CD1 3.94Å; F1412-Y1466 AromaticContact CE1-CE1 3.98Å; F1412-Y1466 HydrophobicContact CE1-CE1 3.98Å; F1412-Y1466 AromaticContact CE2-CD1 3.42Å; F1412-Y1466 HydrophobicContact CE2-CD1 3.42Å; F1412-Y1466 VanDerWaalsContact CE2-CD1 3.42Å; F1412-Y1466 AromaticContact CE2-CE1 3.51Å; F1412-Y1466 HydrophobicContact CE2-CE1 3.51Å; F1412-Y1466 HydrophobicContact CE2-CG 4.23Å; F1412-Y1466 HydrophobicContact CG-CD1 4.22Å; F1412-Y1466 AromaticContact CG-CE1 3.51Å; F1412-Y1466 HydrophobicContact CG-CE1 3.51Å; F1412-Y1466 AromaticContact CZ-CD1 3.49Å; F1412-Y1466 HydrophobicContact CZ-CD1 3.49Å; F1412-Y1466 VanDerWaalsContact CZ-CD1 3.49Å; F1412-Y1466 AromaticContact CZ-CE1 3.82Å; F1412-Y1466 HydrophobicContact CZ-CE1 3.82Å; F1412-Y1466 HydrophobicContact CZ-CG 4.48Å; F1412-F1467 AromaticContact CE1-CD2 3.81Å; F1412-F1467 HydrophobicContact CE1-CD2 3.81Å; F1412-F1467 AromaticContact CE1-CE2 3.48Å; F1412-F1467 HydrophobicContact CE1-CE2 3.48Å; F1412-F1467 VanDerWaalsContact CE1-CE2 3.48Å; F1412-F1467 HydrophobicContact CE1-CZ 4.13Å; F1412-F1467 AromaticContact CZ-CD2 3.81Å; F1412-F1467 HydrophobicContact CZ-CD2 3.81Å; F1412-F1467 AromaticContact CZ-CE2 3.7Å; F1412-F1467 HydrophobicContact CZ-CE2 3.7Å; F1412-L1472 HydrophobicContact CD1-CD1 3.54Å; F1412-L1472 HydrophobicContact CE1-CD1 3.32Å; F1412-L1472 HydrophobicContact CZ-CD1 4.28Å |
| 1413 | T | 75.7 | Confident | 73.4 | Confident | 33 Ų | 33 | 49.8 Ų | 49.8 | 20% | 0.202 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.1 | -44.9 | 173.5 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | D1409 P1410 F1411 R1416 L1417 | D1409-T1413 PolarHBondContact O-N 2.8Å; D1409-T1413 PolarHBondContact O-OG1 2.9Å; P1410-T1413 PolarHBondContact O-N 2.97Å; F1411-T1413 VanDerWaalsContact C-N 3.3Å; F1411-T1413 PolarHBondContact O-N 3.02Å; T1413-R1416 PolarHBondContact O-N 2.74Å; T1413-L1417 HydrophobicContact CG2-CD1 4.2Å; T1413-L1417 WeakPolarHBondContact O-CG 3.47Å; T1413-L1417 PolarHBondContact O-N 3.41Å |
| 1414 | L | 76.1 | Confident | 72.5 | Confident | 20 Ų | 20 | 50.7 Ų | 50.7 | 11% | 0.105 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.9 | -48.3 | 177.2 | -175.1 | 142.8 | 0 | 0 | 0 | 112.2 | T1372 P1410 F1411 R1416 L1417 Q1418 L1425 E1429 | T1372-L1414 HydrophobicContact CG2-CD1 4Å; P1410-L1414 PolarHBondContact O-N 2.88Å; F1411-L1414 PolarHBondContact O-N 3.32Å; L1414-R1416 VanDerWaalsContact C-N 3.29Å; L1414-R1416 PolarHBondContact O-N 3.22Å; L1414-L1417 PolarHBondContact O-N 2.76Å; L1414-Q1418 HydrophobicContact CD2-CG 4.41Å; L1414-Q1418 WeakPolarHBondContact O-CB 3.4Å; L1414-Q1418 VanDerWaalsContact O-CG 3.31Å; L1414-Q1418 WeakPolarHBondContact O-CG 3.28Å; L1414-Q1418 PolarHBondContact O-N 2.85Å; L1414-Q1418 VanDerWaalsContact O-N 3.12Å; L1414-L1425 HydrophobicContact CD2-CD2 3.92Å; L1414-E1429 HydrophobicContact CD1-CG 4.32Å |
| 1415 | L | 75.1 | Confident | 71.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.7 | -36.8 | 176.9 | -76.3 | -179.3 | 0 | 0 | 0 | 113.2 | F1411 E1419 L1475 L1479 W1515 | F1411-L1415 HydrophobicContact CD1-CD1 4.39Å; F1411-L1415 HydrophobicContact CD2-CD1 4.47Å; F1411-L1415 HydrophobicContact CD2-CG 4.49Å; F1411-L1415 HydrophobicContact CE1-CD1 3.75Å; F1411-L1415 HydrophobicContact CE2-CD1 3.84Å; F1411-L1415 HydrophobicContact CE2-CG 4.13Å; F1411-L1415 HydrophobicContact CZ-CD1 3.46Å; F1411-L1415 VanDerWaalsContact CZ-CD1 3.46Å; F1411-L1415 HydrophobicContact CZ-CG 4.26Å; F1411-L1415 PolarHBondContact O-N 2.82Å; L1415-E1419 PolarHBondContact O-N 2.92Å; L1415-L1475 HydrophobicContact CB-CD2 3.96Å; L1415-L1475 HydrophobicContact CD1-CD2 4.49Å; L1415-L1475 HydrophobicContact CD2-CD2 4.12Å; L1415-L1475 HydrophobicContact CG-CD2 4.43Å; L1415-L1479 HydrophobicContact CD2-CD1 3.85Å; L1415-W1515 HydrophobicContact CD1-CH2 4.46Å |
| 1416 | R | 73.8 | Confident | 71.6 | Confident | 126 Ų | 126 | 48.8 Ų | 48.8 | 48% | 0.475 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -72.2 | -39.9 | 178.5 | -79.4 | 175.8 | 168.7 | 166 | -0.9 | 113 | F1412 T1413 L1414 E1419 Y1466 N1470 | F1412-R1416 WeakPolarHBondContact O-CG 3.46Å; F1412-R1416 PolarHBondContact O-N 3.42Å; T1413-R1416 PolarHBondContact O-N 2.74Å; L1414-R1416 VanDerWaalsContact C-N 3.29Å; L1414-R1416 PolarHBondContact O-N 3.22Å; R1416-E1419 WeakPolarHBondContact O-CB 3.47Å; R1416-E1419 PolarHBondContact O-N 2.78Å; R1416-Y1466 PolarHBondContact NH1-OH 3.27Å; R1416-Y1466 VanDerWaalsContact NH1-OH 3.1Å; R1416-Y1466 PolarHBondContact NH2-OH 3.37Å; R1416-N1470 PolarHBondContact NH2-OD1 2.86Å |
| 1417 | L | 69 | Low | 71.3 | Confident | 69 Ų | 69 | 50.9 Ų | 50.9 | 36% | 0.361 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 175.9 | -69.2 | 169.6 | 0 | 0 | 0 | 110.9 | T1413 L1414 E1419 S1420 E1421 | T1413-L1417 HydrophobicContact CG2-CD1 4.2Å; T1413-L1417 WeakPolarHBondContact O-CG 3.47Å; T1413-L1417 PolarHBondContact O-N 3.41Å; L1414-L1417 PolarHBondContact O-N 2.76Å; L1417-E1419 PolarHBondContact O-N 3.31Å; L1417-S1420 PolarHBondContact O-N 3.41Å; L1417-S1420 PolarHBondContact O-OG 2.76Å; L1417-E1421 PolarHBondContact O-N 2.92Å; L1417-E1421 VanDerWaalsContact O-N 3.16Å |
| 1418 | Q | 69.4 | Low | 71 | Confident | 12 Ų | 12 | 53.9 Ų | 53.9 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64 | -17.8 | 177.7 | -71.8 | -82.3 | -7.7 | 0 | 0 | 114.1 | L1414 E1423 L1425 E1429 L1479 K1482 | L1414-Q1418 HydrophobicContact CD2-CG 4.41Å; L1414-Q1418 WeakPolarHBondContact O-CB 3.4Å; L1414-Q1418 VanDerWaalsContact O-CG 3.31Å; L1414-Q1418 WeakPolarHBondContact O-CG 3.28Å; L1414-Q1418 PolarHBondContact O-N 2.85Å; L1414-Q1418 VanDerWaalsContact O-N 3.12Å; Q1418-E1423 PolarHBondContact OE1-O 3.28Å; Q1418-L1425 HydrophobicContact CB-CD2 4.32Å; Q1418-L1425 HydrophobicContact CG-CD2 3.68Å; Q1418-L1425 HydrophobicContact CG-CG 4.31Å; Q1418-E1429 PolarHBondContact NE2-OE1 3.09Å; Q1418-L1479 HydrophobicContact CB-CD2 4.2Å; Q1418-L1479 WeakPolarHBondContact O-CD2 3.48Å; Q1418-K1482 PolarHBondContact O-NZ 3.42Å |
| 1419 | E | 64.9 | Low | 70.8 | Confident | 105 Ų | 105 | 55.3 Ų | 55.3 | 49% | 0.491 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.9 | -37.8 | 168.6 | -170.3 | 166.2 | -146.2 | 0 | 0 | 111.4 | L1415 R1416 L1417 L1475 K1482 | L1415-E1419 PolarHBondContact O-N 2.92Å; R1416-E1419 WeakPolarHBondContact O-CB 3.47Å; R1416-E1419 PolarHBondContact O-N 2.78Å; L1417-E1419 PolarHBondContact O-N 3.31Å; E1419-L1475 HydrophobicContact CB-CD1 4.39Å; E1419-K1482 PolarHBondContact O-NZ 3.38Å |
| 1420 | S | 62.4 | Low | 70.8 | Confident | 96 Ų | 96 | 53.4 Ų | 53.4 | 67% | 0.671 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -82.9 | -30.5 | -178.5 | 73.8 | 0 | 0 | 0 | 0 | 114.8 | L1417 | L1417-S1420 PolarHBondContact O-N 3.41Å; L1417-S1420 PolarHBondContact O-OG 2.76Å |
| 1421 | E | 58.7 | Low | 71 | Confident | 90 Ų | 90 | 56.6 Ų | 56.6 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | trans | -75.7 | 154.3 | -177 | -69.6 | -177.9 | -172.5 | 0 | 0 | 113 | L1417 K1482 | L1417-E1421 PolarHBondContact O-N 2.92Å; L1417-E1421 VanDerWaalsContact O-N 3.16Å; E1421-K1482 PolarHBondContact O-NZ 2.89Å | ||
| 1422 | K | 55.7 | Low | 71 | Confident | 209 Ų | 209 | 56.6 Ų | 56.6 | 91% | 0.909 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -86.6 | -13.5 | 178.6 | -71.2 | -173.1 | 178.2 | -179.2 | 0 | 113.8 | ||
| 1423 | E | 55.2 | Low | 71 | Confident | 123 Ų | 123 | 56.2 Ų | 56.2 | 58% | 0.575 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -98.2 | 142.8 | -178.9 | -56.5 | -118.6 | 87.1 | 0 | 0 | 109.6 | Q1418 K1486 | Q1418-E1423 PolarHBondContact OE1-O 3.28Å; E1423-K1486 IonicContact OE1-NZ 3.84Å; E1423-K1486 PolarHBondContact OE1-NZ 2.93Å |
| 1424 | P | 62.5 | Low | 71.4 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 14% | 0.136 | 27% | 0.271 | C | S | . | . | trans | -91.4 | 129.5 | 177.9 | 32.4 | -32 | 0 | 0 | 0 | 112.1 | S1426 C1483 K1486 R1504 | P1424-S1426 PolarHBondContact O-N 3.04Å; P1424-C1483 HydrophobicContact CB-CB 4.03Å; P1424-K1486 HydrophobicContact CG-CB 4.05Å; P1424-K1486 HydrophobicContact CG-CD 3.74Å; P1424-K1486 HydrophobicContact CG-CG 4.47Å; P1424-R1504 PolarHBondContact O-NH2 2.91Å | ||
| 1425 | L | 69.7 | Low | 71.7 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | trans | -1.5 | 111.6 | 159.3 | -68.9 | 168.2 | 0 | 0 | 0 | 114.7 | L1414 Q1418 E1429 N1430 W1476 L1479 R1504 | L1414-L1425 HydrophobicContact CD2-CD2 3.92Å; Q1418-L1425 HydrophobicContact CB-CD2 4.32Å; Q1418-L1425 HydrophobicContact CG-CD2 3.68Å; Q1418-L1425 HydrophobicContact CG-CG 4.31Å; L1425-E1429 HydrophobicContact CB-CB 4.26Å; L1425-E1429 HydrophobicContact CD2-CB 3.78Å; L1425-N1430 WeakPolarHBondContact CB-OD1 3.07Å; L1425-W1476 HydrophobicContact CD1-CH2 4.24Å; L1425-W1476 HydrophobicContact CD1-CZ3 3.71Å; L1425-L1479 HydrophobicContact CD1-CB 4.17Å; L1425-L1479 HydrophobicContact CD1-CD1 4.04Å; L1425-R1504 PolarHBondContact O-NH1 3.27Å; L1425-R1504 PolarHBondContact O-NH2 2.92Å | ||
| 1426 | S | 72.7 | Confident | 72.2 | Confident | 52 Ų | 52 | 54.1 Ų | 54.1 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | trans | -60.9 | 165.7 | 173.5 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | P1424 I1428 E1429 N1430 | P1424-S1426 PolarHBondContact O-N 3.04Å; S1426-I1428 PolarHBondContact O-N 3.49Å; S1426-E1429 VanDerWaalsContact CB-OE2 3.3Å; S1426-E1429 WeakPolarHBondContact CB-OE2 3.46Å; S1426-E1429 PolarHBondContact N-OE2 3.05Å; S1426-E1429 PolarHBondContact O-N 3.34Å; S1426-E1429 WeakPolarHBondContact OG-CG 3.38Å; S1426-E1429 PolarHBondContact OG-N 3.44Å; S1426-E1429 PolarHBondContact OG-OE2 3.21Å; S1426-N1430 PolarHBondContact O-N 2.93Å | ||
| 1427 | D | 72.5 | Confident | 72.8 | Confident | 49 Ų | 49 | 48.1 Ų | 48.1 | 26% | 0.262 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.4 | -30.7 | -178.7 | -64.9 | -19.2 | 0 | 0 | 0 | 112.4 | N1430 E1431 R1504 S1507 | D1427-N1430 WeakPolarHBondContact O-CB 3.47Å; D1427-E1431 PolarHBondContact O-N 3.3Å; D1427-R1504 WeakPolarHBondContact OD1-CD 3.37Å; D1427-R1504 IonicContact OD1-CZ 3.6Å; D1427-R1504 IonicContact OD1-NE 3.45Å; D1427-R1504 IonicContact OD1-NH1 2.69Å; D1427-R1504 PolarHBondContact OD1-NH1 3.31Å; D1427-S1507 PolarHBondContact OD1-OG 2.97Å |
| 1428 | I | 75 | Confident | 73.6 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 32% | 0.323 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -70.9 | -40.5 | 174.8 | -56.4 | 177.4 | 0 | 0 | 0 | 111 | V1373 W1376 S1426 N1430 E1431 L1432 | V1373-I1428 HydrophobicContact CG2-CD1 4Å; V1373-I1428 HydrophobicContact CG2-CG2 4.3Å; W1376-I1428 HydrophobicContact CB-CG2 3.85Å; W1376-I1428 HydrophobicContact CD2-CG2 3.84Å; W1376-I1428 HydrophobicContact CE3-CG2 4.18Å; W1376-I1428 HydrophobicContact CG-CG2 3.7Å; S1426-I1428 PolarHBondContact O-N 3.49Å; I1428-N1430 VanDerWaalsContact C-N 3.35Å; I1428-E1431 PolarHBondContact O-N 2.89Å; I1428-L1432 VanDerWaalsContact O-CB 3.28Å; I1428-L1432 WeakPolarHBondContact O-CB 3.16Å; I1428-L1432 PolarHBondContact O-N 3.49Å |
| 1429 | E | 78 | Confident | 74.3 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 14% | 0.14 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.4 | -35.4 | 175.1 | -71.1 | 167.1 | 109.5 | 0 | 0 | 112 | T1372 L1414 Q1418 L1425 S1426 C1433 | T1372-E1429 HydrophobicContact CG2-CG 3.62Å; L1414-E1429 HydrophobicContact CD1-CG 4.32Å; Q1418-E1429 PolarHBondContact NE2-OE1 3.09Å; L1425-E1429 HydrophobicContact CB-CB 4.26Å; L1425-E1429 HydrophobicContact CD2-CB 3.78Å; S1426-E1429 VanDerWaalsContact CB-OE2 3.3Å; S1426-E1429 WeakPolarHBondContact CB-OE2 3.46Å; S1426-E1429 PolarHBondContact N-OE2 3.05Å; S1426-E1429 PolarHBondContact O-N 3.34Å; S1426-E1429 WeakPolarHBondContact OG-CG 3.38Å; S1426-E1429 PolarHBondContact OG-N 3.44Å; S1426-E1429 PolarHBondContact OG-OE2 3.21Å; E1429-C1433 WeakPolarHBondContact O-CB 3.44Å; E1429-C1433 PolarHBondContact O-N 2.94Å; E1429-C1433 PolarHBondContact O-SG 3.19Å |
| 1430 | N | 78.5 | Confident | 75.3 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58 | -57 | 169.8 | -80 | -15.5 | 0 | 0 | 0 | 110.1 | L1425 S1426 D1427 I1428 L1432 C1433 G1434 R1504 S1507 V1511 | L1425-N1430 WeakPolarHBondContact CB-OD1 3.07Å; S1426-N1430 PolarHBondContact O-N 2.93Å; D1427-N1430 WeakPolarHBondContact O-CB 3.47Å; I1428-N1430 VanDerWaalsContact C-N 3.35Å; N1430-L1432 VanDerWaalsContact C-N 3.33Å; N1430-L1432 PolarHBondContact O-N 2.7Å; N1430-C1433 WeakPolarHBondContact O-CB 3.07Å; N1430-C1433 PolarHBondContact O-N 3.29Å; N1430-C1433 VanDerWaalsContact O-N 3.15Å; N1430-G1434 PolarHBondContact O-N 2.62Å; N1430-R1504 PolarHBondContact ND2-NH1 2.95Å; N1430-S1507 PolarHBondContact ND2-OG 2.86Å; N1430-V1511 VanDerWaalsContact C-CG2 3.48Å; N1430-V1511 HydrophobicContact CB-CG2 4.13Å; N1430-V1511 WeakPolarHBondContact O-CG1 3.32Å; N1430-V1511 WeakPolarHBondContact O-CG2 3.29Å |
| 1431 | E | 80.3 | Confident | 76.2 | Confident | 76 Ų | 76 | 36 Ų | 36 | 36% | 0.355 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.6 | -40.5 | -179.8 | -75.3 | -162.6 | 170.2 | 0 | 0 | 113.1 | W1376 D1427 I1428 C1433 G1434 D1435 | W1376-E1431 WeakPolarHBondContact CZ2-OE2 3.41Å; W1376-E1431 PolarHBondContact NE1-OE2 2.99Å; D1427-E1431 PolarHBondContact O-N 3.3Å; I1428-E1431 PolarHBondContact O-N 2.89Å; E1431-C1433 PolarHBondContact O-N 3.19Å; E1431-G1434 CarbonylContact O-C 3.59Å; E1431-G1434 VanDerWaalsContact O-CA 3.3Å; E1431-G1434 WeakPolarHBondContact O-CA 3.27Å; E1431-G1434 PolarHBondContact O-N 3.49Å; E1431-D1435 PolarHBondContact O-N 3.01Å |
| 1432 | L | 82.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.6 | -47.4 | 174.1 | -177.6 | 163.4 | 0 | 0 | 0 | 111.6 | T1372 F1375 W1376 F1411 I1428 N1430 G1434 D1435 V1436 | T1372-L1432 HydrophobicContact CG2-CD1 4Å; F1375-L1432 HydrophobicContact CB-CD1 4.09Å; F1375-L1432 HydrophobicContact CD1-CD1 3.62Å; F1375-L1432 HydrophobicContact CD1-CD2 4.07Å; F1375-L1432 HydrophobicContact CD1-CG 4.24Å; F1375-L1432 HydrophobicContact CE1-CD1 4.25Å; F1375-L1432 HydrophobicContact CE1-CD2 3.85Å; F1375-L1432 HydrophobicContact CE1-CG 4.44Å; F1375-L1432 HydrophobicContact CG-CD1 4.03Å; W1376-L1432 HydrophobicContact CB-CB 4.2Å; W1376-L1432 HydrophobicContact CB-CD1 4.05Å; W1376-L1432 HydrophobicContact CB-CG 4.44Å; F1411-L1432 HydrophobicContact CD2-CD2 4.24Å; I1428-L1432 VanDerWaalsContact O-CB 3.28Å; I1428-L1432 WeakPolarHBondContact O-CB 3.16Å; I1428-L1432 PolarHBondContact O-N 3.49Å; N1430-L1432 VanDerWaalsContact C-N 3.33Å; N1430-L1432 PolarHBondContact O-N 2.7Å; L1432-G1434 PolarHBondContact O-N 2.94Å; L1432-D1435 PolarHBondContact O-N 3.41Å; L1432-V1436 HydrophobicContact CD2-CG2 4.4Å; L1432-V1436 WeakPolarHBondContact O-CG2 3.39Å; L1432-V1436 PolarHBondContact O-N 3.3Å; L1432-V1436 VanDerWaalsContact O-N 3.13Å |
| 1433 | C | 82.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.8 | -35.8 | 174.1 | -67.5 | 0 | 0 | 0 | 0 | 111.5 | F1411 E1429 N1430 E1431 V1437 W1476 V1511 | F1411-C1433 HydrophobicContact CE2-CB 4.06Å; E1429-C1433 WeakPolarHBondContact O-CB 3.44Å; E1429-C1433 PolarHBondContact O-N 2.94Å; E1429-C1433 PolarHBondContact O-SG 3.19Å; N1430-C1433 WeakPolarHBondContact O-CB 3.07Å; N1430-C1433 PolarHBondContact O-N 3.29Å; N1430-C1433 VanDerWaalsContact O-N 3.15Å; E1431-C1433 PolarHBondContact O-N 3.19Å; C1433-V1437 WeakPolarHBondContact O-CB 3.37Å; C1433-V1437 WeakPolarHBondContact O-CG2 3.29Å; C1433-V1437 PolarHBondContact O-N 3.31Å; C1433-W1476 HydrophobicContact CB-CH2 4.44Å; C1433-W1476 HydrophobicContact CB-CZ3 3.87Å; C1433-V1511 HydrophobicContact CB-CG1 4.37Å |
| 1434 | G | 83.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.2 | -47.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1430 E1431 L1432 V1437 S1438 R1514 | N1430-G1434 PolarHBondContact O-N 2.62Å; E1431-G1434 CarbonylContact O-C 3.59Å; E1431-G1434 VanDerWaalsContact O-CA 3.3Å; E1431-G1434 WeakPolarHBondContact O-CA 3.27Å; E1431-G1434 PolarHBondContact O-N 3.49Å; L1432-G1434 PolarHBondContact O-N 2.94Å; G1434-V1437 PolarHBondContact O-N 2.91Å; G1434-S1438 PolarHBondContact O-N 2.8Å; G1434-S1438 PolarHBondContact O-OG 2.84Å; G1434-R1514 WeakPolarHBondContact O-CD 3.46Å; G1434-R1514 PolarHBondContact O-NH1 3.45Å |
| 1435 | D | 83.3 | Confident | 80.3 | Confident | 8 Ų | 8 | 24.9 Ų | 24.9 | 4% | 0.043 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69 | -42.8 | -175.5 | -84.7 | -28.5 | 0 | 0 | 0 | 112.6 | K1380 S1383 E1431 L1432 V1437 S1438 I1439 R1514 | K1380-D1435 WeakPolarHBondContact CA-OD2 3.24Å; S1383-D1435 VanDerWaalsContact CB-OD1 3.23Å; S1383-D1435 WeakPolarHBondContact CB-OD1 3.37Å; S1383-D1435 PolarHBondContact OG-OD1 2.94Å; E1431-D1435 PolarHBondContact O-N 3.01Å; L1432-D1435 PolarHBondContact O-N 3.41Å; D1435-V1437 VanDerWaalsContact C-N 3.29Å; D1435-V1437 PolarHBondContact O-N 2.72Å; D1435-S1438 PolarHBondContact O-N 3.45Å; D1435-I1439 WeakPolarHBondContact O-CD1 3.4Å; D1435-I1439 VanDerWaalsContact O-CG1 3.29Å; D1435-I1439 WeakPolarHBondContact O-CG1 3.49Å; D1435-I1439 PolarHBondContact O-N 3.48Å; D1435-R1514 IonicContact OD1-CZ 3.23Å; D1435-R1514 IonicContact OD1-NH1 3.19Å; D1435-R1514 PolarHBondContact OD1-NH1 3.4Å; D1435-R1514 IonicContact OD1-NH2 2.69Å |
| 1436 | V | 85.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.3 | -43.3 | 173.6 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | F1375 T1379 F1411 L1432 I1439 L1440 | F1375-V1436 HydrophobicContact CZ-CG2 4.45Å; T1379-V1436 HydrophobicContact CG2-CG2 3.61Å; F1411-V1436 HydrophobicContact CB-CG1 4.47Å; F1411-V1436 HydrophobicContact CB-CG2 4.46Å; F1411-V1436 HydrophobicContact CD1-CG1 3.96Å; F1411-V1436 HydrophobicContact CD2-CB 4.24Å; F1411-V1436 HydrophobicContact CD2-CG1 4.25Å; F1411-V1436 HydrophobicContact CD2-CG2 4.28Å; F1411-V1436 HydrophobicContact CE1-CG1 4.19Å; F1411-V1436 HydrophobicContact CE2-CB 4.41Å; F1411-V1436 HydrophobicContact CE2-CG1 4.47Å; F1411-V1436 HydrophobicContact CG-CB 4.42Å; F1411-V1436 HydrophobicContact CG-CG1 3.98Å; F1411-V1436 HydrophobicContact CG-CG2 4.41Å; F1411-V1436 HydrophobicContact CZ-CG1 4.42Å; L1432-V1436 HydrophobicContact CD2-CG2 4.4Å; L1432-V1436 WeakPolarHBondContact O-CG2 3.39Å; L1432-V1436 PolarHBondContact O-N 3.3Å; L1432-V1436 VanDerWaalsContact O-N 3.13Å; V1436-I1439 PolarHBondContact O-N 2.92Å; V1436-L1440 HydrophobicContact CG1-CD1 4.19Å; V1436-L1440 WeakPolarHBondContact O-CG 3.18Å; V1436-L1440 PolarHBondContact O-N 2.8Å; V1436-L1440 VanDerWaalsContact O-N 3.13Å |
| 1437 | V | 86.1 | Confident | 80 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -70.5 | -36.6 | 179.6 | 167.3 | 0 | 0 | 0 | 0 | 112.6 | F1411 C1433 G1434 D1435 L1440 A1441 R1514 W1515 L1518 | F1411-V1437 HydrophobicContact CZ-CG2 4.33Å; C1433-V1437 WeakPolarHBondContact O-CB 3.37Å; C1433-V1437 WeakPolarHBondContact O-CG2 3.29Å; C1433-V1437 PolarHBondContact O-N 3.31Å; G1434-V1437 PolarHBondContact O-N 2.91Å; D1435-V1437 VanDerWaalsContact C-N 3.29Å; D1435-V1437 PolarHBondContact O-N 2.72Å; V1437-L1440 PolarHBondContact O-N 2.99Å; V1437-A1441 WeakPolarHBondContact O-CB 3.16Å; V1437-A1441 PolarHBondContact O-N 3.24Å; V1437-R1514 HydrophobicContact CG1-CB 4.31Å; V1437-R1514 WeakPolarHBondContact CG1-O 3.48Å; V1437-W1515 HydrophobicContact CG1-CD2 4.37Å; V1437-W1515 HydrophobicContact CG1-CG 4.19Å; V1437-W1515 HydrophobicContact CG2-CD2 3.99Å; V1437-W1515 HydrophobicContact CG2-CE3 4.47Å; V1437-W1515 HydrophobicContact CG2-CG 4.45Å; V1437-W1515 HydrophobicContact CG2-CH2 4.39Å; V1437-W1515 HydrophobicContact CG2-CZ2 3.89Å; V1437-L1518 HydrophobicContact CG1-CB 3.95Å; V1437-L1518 HydrophobicContact CG1-CD2 4.01Å |
| 1438 | S | 85.3 | Confident | 79.4 | Confident | 20 Ų | 20 | 27.4 Ų | 27.4 | 14% | 0.14 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | 171.6 | -72.4 | 0 | 0 | 0 | 0 | 111.8 | G1434 D1435 A1441 L1442 R1514 | G1434-S1438 PolarHBondContact O-N 2.8Å; G1434-S1438 PolarHBondContact O-OG 2.84Å; D1435-S1438 PolarHBondContact O-N 3.45Å; S1438-A1441 PolarHBondContact O-N 2.9Å; S1438-L1442 WeakPolarHBondContact O-CB 3.3Å; S1438-L1442 VanDerWaalsContact O-CG 3.3Å; S1438-L1442 WeakPolarHBondContact O-CG 3.19Å; S1438-L1442 PolarHBondContact O-N 3.19Å; S1438-R1514 WeakPolarHBondContact OG-CD 3.38Å; S1438-R1514 PolarHBondContact OG-NH1 2.87Å; S1438-R1514 VanDerWaalsContact OG-NH1 3.08Å |
| 1439 | I | 85.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.9 | -47.1 | 178.2 | -65.6 | 157.2 | 0 | 0 | 0 | 110.6 | I1382 Y1386 W1404 L1407 D1435 V1436 E1443 | I1382-I1439 HydrophobicContact CB-CD1 3.8Å; I1382-I1439 HydrophobicContact CG2-CD1 3.57Å; I1382-I1439 HydrophobicContact CG2-CG1 4.07Å; I1382-I1439 HydrophobicContact CG2-CG2 4.37Å; Y1386-I1439 HydrophobicContact CD2-CG1 4.35Å; Y1386-I1439 HydrophobicContact CD2-CG2 4.01Å; Y1386-I1439 HydrophobicContact CE1-CG2 4.34Å; Y1386-I1439 HydrophobicContact CE2-CG2 3.74Å; Y1386-I1439 HydrophobicContact CG-CG2 4.4Å; W1404-I1439 HydrophobicContact CH2-CG2 4.41Å; W1404-I1439 HydrophobicContact CZ3-CG2 4.2Å; L1407-I1439 HydrophobicContact CD2-CG2 4.22Å; D1435-I1439 WeakPolarHBondContact O-CD1 3.4Å; D1435-I1439 VanDerWaalsContact O-CG1 3.29Å; D1435-I1439 WeakPolarHBondContact O-CG1 3.49Å; D1435-I1439 PolarHBondContact O-N 3.48Å; V1436-I1439 PolarHBondContact O-N 2.92Å; I1439-E1443 PolarHBondContact O-N 3.32Å |
| 1440 | L | 85.1 | Confident | 77 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 178.8 | -68 | 169.4 | 0 | 0 | 0 | 112.1 | W1404 V1436 V1437 E1443 L1444 F1460 V1463 F1467 L1518 | W1404-L1440 HydrophobicContact CE3-CD2 4.24Å; W1404-L1440 HydrophobicContact CZ3-CD2 3.92Å; V1436-L1440 HydrophobicContact CG1-CD1 4.19Å; V1436-L1440 WeakPolarHBondContact O-CG 3.18Å; V1436-L1440 PolarHBondContact O-N 2.8Å; V1436-L1440 VanDerWaalsContact O-N 3.13Å; V1437-L1440 PolarHBondContact O-N 2.99Å; L1440-E1443 PolarHBondContact O-N 3.26Å; L1440-L1444 WeakPolarHBondContact O-CB 3.42Å; L1440-L1444 PolarHBondContact O-N 3.03Å; L1440-F1460 HydrophobicContact CD2-CD2 4.3Å; L1440-F1460 HydrophobicContact CD2-CE2 3.81Å; L1440-V1463 HydrophobicContact CD2-CG1 4.21Å; L1440-F1467 HydrophobicContact CD1-CD2 4.48Å; L1440-F1467 HydrophobicContact CD1-CE2 3.43Å; L1440-F1467 VanDerWaalsContact CD1-CE2 3.43Å; L1440-F1467 HydrophobicContact CD1-CZ 3.52Å; L1440-L1518 HydrophobicContact CB-CD1 4.26Å; L1440-L1518 HydrophobicContact CB-CD2 4.47Å |
| 1441 | A | 82.7 | Confident | 75.6 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 7% | 0.066 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.6 | -45.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1437 S1438 E1443 L1444 Y1445 L1518 L1521 | V1437-A1441 WeakPolarHBondContact O-CB 3.16Å; V1437-A1441 PolarHBondContact O-N 3.24Å; S1438-A1441 PolarHBondContact O-N 2.9Å; A1441-E1443 VanDerWaalsContact C-N 3.31Å; A1441-E1443 PolarHBondContact O-N 3.18Å; A1441-L1444 PolarHBondContact O-N 3.27Å; A1441-Y1445 WeakPolarHBondContact O-CB 3.12Å; A1441-Y1445 PolarHBondContact O-N 3.4Å; A1441-L1518 HydrophobicContact CB-CB 4.13Å; A1441-L1518 HydrophobicContact CB-CD1 4.06Å; A1441-L1521 HydrophobicContact CB-CD1 3.98Å; A1441-L1521 VanDerWaalsContact O-CD1 3.26Å; A1441-L1521 WeakPolarHBondContact O-CD1 3.47Å |
| 1442 | L | 82.8 | Confident | 74.1 | Confident | 58 Ų | 58 | 41.5 Ų | 41.5 | 30% | 0.304 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.8 | -34.7 | 177.4 | -71.1 | 170.9 | 0 | 0 | 0 | 111.6 | Y1386 S1438 N1446 | Y1386-L1442 HydrophobicContact CD1-CB 4.1Å; S1438-L1442 WeakPolarHBondContact O-CB 3.3Å; S1438-L1442 VanDerWaalsContact O-CG 3.3Å; S1438-L1442 WeakPolarHBondContact O-CG 3.19Å; S1438-L1442 PolarHBondContact O-N 3.19Å; L1442-N1446 WeakPolarHBondContact O-CB 3.39Å; L1442-N1446 VanDerWaalsContact O-CG 3.3Å; L1442-N1446 PolarHBondContact O-N 2.89Å; L1442-N1446 PolarHBondContact O-ND2 3.08Å |
| 1443 | E | 81.2 | Confident | 72.6 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.028 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.3 | -42.3 | 174.2 | -175.6 | 62.1 | 175.4 | 0 | 0 | 112.9 | Y1386 K1398 W1404 I1439 L1440 A1441 Y1445 N1446 K1447 F1460 | Y1386-E1443 HydrophobicContact CE1-CB 4.13Å; K1398-E1443 VanDerWaalsContact CE-CD 3.44Å; K1398-E1443 WeakPolarHBondContact CE-OE1 3.26Å; K1398-E1443 VanDerWaalsContact CE-OE2 3.27Å; K1398-E1443 WeakPolarHBondContact CE-OE2 3.38Å; K1398-E1443 IonicContact NZ-OE1 3.82Å; K1398-E1443 PolarHBondContact NZ-OE1 2.89Å; K1398-E1443 IonicContact NZ-OE2 3.75Å; K1398-E1443 PolarHBondContact NZ-OE2 3.3Å; W1404-E1443 HydrophobicContact CH2-CB 3.96Å; W1404-E1443 HydrophobicContact CH2-CG 3.85Å; W1404-E1443 HydrophobicContact CZ2-CB 4.46Å; W1404-E1443 HydrophobicContact CZ2-CG 3.84Å; I1439-E1443 PolarHBondContact O-N 3.32Å; L1440-E1443 PolarHBondContact O-N 3.26Å; A1441-E1443 VanDerWaalsContact C-N 3.31Å; A1441-E1443 PolarHBondContact O-N 3.18Å; E1443-Y1445 VanDerWaalsContact C-N 3.31Å; E1443-Y1445 PolarHBondContact O-N 3.4Å; E1443-N1446 PolarHBondContact O-N 3.35Å; E1443-K1447 PolarHBondContact O-N 2.95Å; E1443-F1460 HydrophobicContact CB-CE2 3.85Å; E1443-F1460 HydrophobicContact CB-CZ 4.06Å; E1443-F1460 HydrophobicContact CG-CD2 4.02Å; E1443-F1460 HydrophobicContact CG-CE1 4.39Å; E1443-F1460 HydrophobicContact CG-CE2 3.79Å; E1443-F1460 HydrophobicContact CG-CG 4.42Å; E1443-F1460 HydrophobicContact CG-CZ 3.99Å |
| 1444 | L | 76.7 | Confident | 71.5 | Confident | 15 Ų | 15 | 51.2 Ų | 51.2 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 178.2 | -142 | 163.9 | 0 | 0 | 0 | 110.3 | L1440 A1441 K1447 T1448 F1460 M1464 L1518 N1522 | L1440-L1444 WeakPolarHBondContact O-CB 3.42Å; L1440-L1444 PolarHBondContact O-N 3.03Å; A1441-L1444 PolarHBondContact O-N 3.27Å; L1444-K1447 PolarHBondContact O-N 2.94Å; L1444-T1448 HydrophobicContact CD2-CG2 4.12Å; L1444-T1448 PolarHBondContact O-N 3.09Å; L1444-T1448 PolarHBondContact O-OG1 3.06Å; L1444-F1460 HydrophobicContact CB-CZ 4.1Å; L1444-F1460 HydrophobicContact CG-CE1 4.27Å; L1444-F1460 HydrophobicContact CG-CZ 4.21Å; L1444-M1464 HydrophobicContact CD1-CE 3.76Å; L1444-M1464 HydrophobicContact CD1-SD 4.24Å; L1444-L1518 HydrophobicContact CD1-CD1 4.09Å; L1444-N1522 WeakPolarHBondContact CD1-OD1 3.22Å |
| 1445 | Y | 75.8 | Confident | 70.4 | Confident | 130 Ų | 130 | 58.6 Ų | 58.6 | 51% | 0.51 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 175.1 | -178.2 | -99.5 | 0 | 0 | 0 | 113.9 | A1441 E1443 K1447 T1448 S1449 L1521 | A1441-Y1445 WeakPolarHBondContact O-CB 3.12Å; A1441-Y1445 PolarHBondContact O-N 3.4Å; E1443-Y1445 VanDerWaalsContact C-N 3.31Å; E1443-Y1445 PolarHBondContact O-N 3.4Å; Y1445-K1447 PolarHBondContact O-N 3.39Å; Y1445-T1448 PolarHBondContact O-OG1 3.12Å; Y1445-S1449 PolarHBondContact O-OG 3.02Å; Y1445-L1521 HydrophobicContact CD2-CD2 4.01Å |
| 1446 | N | 71.4 | Confident | 69.4 | Low | 39 Ų | 39 | 59.5 Ų | 59.5 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.8 | -21.2 | 176.5 | -78.3 | -52 | 0 | 0 | 0 | 113 | L1442 E1443 S1449 | L1442-N1446 WeakPolarHBondContact O-CB 3.39Å; L1442-N1446 VanDerWaalsContact O-CG 3.3Å; L1442-N1446 PolarHBondContact O-N 2.89Å; L1442-N1446 PolarHBondContact O-ND2 3.08Å; E1443-N1446 PolarHBondContact O-N 3.35Å; N1446-S1449 PolarHBondContact O-OG 3.07Å |
| 1447 | K | 66.5 | Low | 68.6 | Low | 37 Ų | 37 | 61.9 Ų | 61.9 | 16% | 0.161 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -97.3 | -23.8 | 178.4 | -81.4 | -72.4 | -174.4 | 173.2 | 0 | 114.7 | E1443 L1444 Y1445 S1449 Y1450 T1452 D1454 F1457 | E1443-K1447 PolarHBondContact O-N 2.95Å; L1444-K1447 PolarHBondContact O-N 2.94Å; Y1445-K1447 PolarHBondContact O-N 3.39Å; K1447-S1449 PolarHBondContact O-N 3.26Å; K1447-Y1450 PolarHBondContact O-N 3.37Å; K1447-T1452 PolarHBondContact NZ-OG1 3.23Å; K1447-D1454 IonicContact NZ-OD2 3.04Å; K1447-D1454 PolarHBondContact NZ-OD2 3.48Å; K1447-F1457 HydrophobicContact CB-CD2 4.48Å; K1447-F1457 HydrophobicContact CB-CE2 4.05Å; K1447-F1457 HydrophobicContact CD-CD2 4.05Å; K1447-F1457 HydrophobicContact CD-CE2 4.32Å; K1447-F1457 HydrophobicContact CG-CD2 4.09Å; K1447-F1457 HydrophobicContact CG-CE2 4.16Å |
| 1448 | T | 58.1 | Low | 67.9 | Low | 84 Ų | 84 | 67.5 Ų | 67.5 | 52% | 0.515 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.6 | -16 | 169.3 | 46.4 | 0 | 0 | 0 | 0 | 113.1 | L1444 Y1445 | L1444-T1448 HydrophobicContact CD2-CG2 4.12Å; L1444-T1448 PolarHBondContact O-N 3.09Å; L1444-T1448 PolarHBondContact O-OG1 3.06Å; Y1445-T1448 PolarHBondContact O-OG1 3.12Å |
| 1449 | S | 54.3 | Low | 67.2 | Low | 70 Ų | 70 | 68.2 Ų | 68.2 | 49% | 0.49 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -11.6 | 177.9 | 43.7 | 0 | 0 | 0 | 0 | 115.4 | Y1445 N1446 K1447 | Y1445-S1449 PolarHBondContact O-OG 3.02Å; N1446-S1449 PolarHBondContact O-OG 3.07Å; K1447-S1449 PolarHBondContact O-N 3.26Å |
| 1450 | Y | 50 | Low | 66.8 | Low | 171 Ų | 171 | 68.5 Ų | 68.5 | 67% | 0.671 | 35% | 0.354 | S | S | * | . | trans | -143.4 | 111.4 | -174.4 | -69.5 | -85 | 0 | 0 | 0 | 114.5 | K1447 T1452 | K1447-Y1450 PolarHBondContact O-N 3.37Å; Y1450-T1452 PolarHBondContact O-N 2.85Å; Y1450-T1452 VanDerWaalsContact O-N 3.16Å | ||
| 1451 | T | 47.8 | Very low | 66.3 | Low | 149 Ų | 149 | 69.6 Ų | 69.6 | 91% | 0.914 | 36% | 0.36 | S | S | * | . | trans | -87.7 | 69.9 | -175 | 44.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1452 | T | 49.1 | Very low | 66 | Low | 76 Ų | 76 | 72.2 Ų | 72.2 | 47% | 0.466 | 38% | 0.378 | S | S | . | . | trans | -103.8 | 132 | 172.2 | 59 | 0 | 0 | 0 | 0 | 113.1 | K1447 Y1450 D1454 | K1447-T1452 PolarHBondContact NZ-OG1 3.23Å; Y1450-T1452 PolarHBondContact O-N 2.85Å; Y1450-T1452 VanDerWaalsContact O-N 3.16Å; T1452-D1454 VanDerWaalsContact C-N 3.29Å; T1452-D1454 PolarHBondContact O-N 2.96Å; T1452-D1454 PolarHBondContact OG1-OD2 3.43Å | ||
| 1453 | N | 50.9 | Low | 65.7 | Low | 133 Ų | 133 | 69.9 Ų | 69.9 | 71% | 0.711 | 37% | 0.366 | S | S | * | . | trans | -77.9 | 65.6 | -179.6 | -66.5 | -24.3 | 0 | 0 | 0 | 112 | R1545 | N1453-R1545 PolarHBondContact ND2-NH2 3.47Å; N1453-R1545 PolarHBondContact OD1-NH2 3.38Å | ||
| 1454 | D | 59.8 | Low | 65.6 | Low | 71 Ų | 71 | 70.4 Ų | 70.4 | 38% | 0.38 | 37% | 0.369 | S | S | . | . | trans | -86 | 144.3 | 177.9 | -55.9 | -59.9 | 0 | 0 | 0 | 112 | K1447 T1452 S1456 F1457 | K1447-D1454 IonicContact NZ-OD2 3.04Å; K1447-D1454 PolarHBondContact NZ-OD2 3.48Å; T1452-D1454 VanDerWaalsContact C-N 3.29Å; T1452-D1454 PolarHBondContact O-N 2.96Å; T1452-D1454 PolarHBondContact OG1-OD2 3.43Å; D1454-S1456 VanDerWaalsContact C-N 3.31Å; D1454-S1456 PolarHBondContact O-N 2.91Å; D1454-F1457 WeakPolarHBondContact O-CB 3.41Å; D1454-F1457 PolarHBondContact O-N 2.89Å | ||
| 1455 | E | 60.9 | Low | 65.6 | Low | 155 Ų | 155 | 71.1 Ų | 71.1 | 72% | 0.724 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -67.4 | -33.1 | 177.2 | -62.4 | -148.6 | 110.8 | 0 | 0 | 112.7 | F1457 K1458 | E1455-F1457 PolarHBondContact O-N 3.42Å; E1455-K1458 WeakPolarHBondContact O-CB 3.3Å; E1455-K1458 PolarHBondContact O-N 2.95Å; E1455-K1458 IonicContact OE1-NZ 3.94Å |
| 1456 | S | 62.7 | Low | 65.7 | Low | 28 Ų | 28 | 68.1 Ų | 68.1 | 20% | 0.196 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.6 | -26.5 | 174.2 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | K1398 D1454 S1459 F1460 | K1398-S1456 VanDerWaalsContact O-CB 3.31Å; K1398-S1456 WeakPolarHBondContact O-CB 3.49Å; D1454-S1456 VanDerWaalsContact C-N 3.31Å; D1454-S1456 PolarHBondContact O-N 2.91Å; S1456-S1459 WeakPolarHBondContact CA-OG 3.29Å; S1456-S1459 PolarHBondContact O-N 3.43Å; S1456-S1459 PolarHBondContact O-OG 3.11Å; S1456-F1460 PolarHBondContact O-N 3.22Å |
| 1457 | F | 68.5 | Low | 65.9 | Low | 50 Ų | 50 | 66.2 Ų | 66.2 | 22% | 0.219 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.3 | -29.7 | 174.1 | -174.7 | -102.6 | 0 | 0 | 0 | 112.6 | K1447 D1454 E1455 F1460 T1461 | K1447-F1457 HydrophobicContact CB-CD2 4.48Å; K1447-F1457 HydrophobicContact CB-CE2 4.05Å; K1447-F1457 HydrophobicContact CD-CD2 4.05Å; K1447-F1457 HydrophobicContact CD-CE2 4.32Å; K1447-F1457 HydrophobicContact CG-CD2 4.09Å; K1447-F1457 HydrophobicContact CG-CE2 4.16Å; D1454-F1457 WeakPolarHBondContact O-CB 3.41Å; D1454-F1457 PolarHBondContact O-N 2.89Å; E1455-F1457 PolarHBondContact O-N 3.42Å; F1457-F1460 HydrophobicContact CD2-CD1 4.44Å; F1457-F1460 HydrophobicContact CE2-CD1 4.45Å; F1457-T1461 WeakPolarHBondContact O-CB 3.3Å; F1457-T1461 PolarHBondContact O-N 2.93Å; F1457-T1461 PolarHBondContact O-OG1 3.39Å |
| 1458 | K | 70.4 | Confident | 66.3 | Low | 117 Ų | 117 | 65.1 Ų | 65.1 | 51% | 0.509 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 172.9 | -64.7 | 176.4 | -175.6 | 162.5 | 0 | 110.9 | E1455 T1461 S1462 | E1455-K1458 WeakPolarHBondContact O-CB 3.3Å; E1455-K1458 PolarHBondContact O-N 2.95Å; E1455-K1458 IonicContact OE1-NZ 3.94Å; K1458-T1461 PolarHBondContact O-N 2.95Å; K1458-S1462 PolarHBondContact O-N 3.35Å |
| 1459 | S | 70.9 | Confident | 67 | Low | 36 Ų | 36 | 67.5 Ų | 67.5 | 25% | 0.252 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 174.9 | 36 | 0 | 0 | 0 | 0 | 112 | S1456 T1461 S1462 V1463 | S1456-S1459 WeakPolarHBondContact CA-OG 3.29Å; S1456-S1459 PolarHBondContact O-N 3.43Å; S1456-S1459 PolarHBondContact O-OG 3.11Å; S1459-T1461 PolarHBondContact O-N 3.13Å; S1459-S1462 PolarHBondContact O-N 3.26Å; S1459-S1462 PolarHBondContact O-OG 3.5Å; S1459-V1463 PolarHBondContact O-N 2.96Å; S1459-V1463 VanDerWaalsContact O-N 3.08Å |
| 1460 | F | 77.7 | Confident | 67.9 | Low | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.1 | -45 | 174.8 | 177.6 | -100.5 | 0 | 0 | 0 | 112.1 | W1404 L1440 E1443 L1444 S1456 F1457 S1462 V1463 M1464 | W1404-F1460 HydrophobicContact CD2-CB 4.36Å; W1404-F1460 HydrophobicContact CD2-CD2 4.08Å; W1404-F1460 AromaticContact CE2-CD2 3.93Å; W1404-F1460 HydrophobicContact CE3-CD2 4.05Å; W1404-F1460 HydrophobicContact CG-CB 4.49Å; W1404-F1460 AromaticContact CH2-CD2 3.78Å; W1404-F1460 HydrophobicContact CH2-CD2 3.78Å; W1404-F1460 HydrophobicContact CH2-CE2 4.12Å; W1404-F1460 HydrophobicContact CZ2-CB 4.49Å; W1404-F1460 AromaticContact CZ2-CD2 3.79Å; W1404-F1460 HydrophobicContact CZ2-CD2 3.79Å; W1404-F1460 HydrophobicContact CZ2-CG 4.45Å; W1404-F1460 AromaticContact CZ3-CD2 3.92Å; W1404-F1460 HydrophobicContact CZ3-CD2 3.92Å; W1404-F1460 HydrophobicContact CZ3-CE2 4.25Å; L1440-F1460 HydrophobicContact CD2-CD2 4.3Å; L1440-F1460 HydrophobicContact CD2-CE2 3.81Å; E1443-F1460 HydrophobicContact CB-CE2 3.85Å; E1443-F1460 HydrophobicContact CB-CZ 4.06Å; E1443-F1460 HydrophobicContact CG-CD2 4.02Å; E1443-F1460 HydrophobicContact CG-CE1 4.39Å; E1443-F1460 HydrophobicContact CG-CE2 3.79Å; E1443-F1460 HydrophobicContact CG-CG 4.42Å; E1443-F1460 HydrophobicContact CG-CZ 3.99Å; L1444-F1460 HydrophobicContact CB-CZ 4.1Å; L1444-F1460 HydrophobicContact CG-CE1 4.27Å; L1444-F1460 HydrophobicContact CG-CZ 4.21Å; S1456-F1460 PolarHBondContact O-N 3.22Å; F1457-F1460 HydrophobicContact CD2-CD1 4.44Å; F1457-F1460 HydrophobicContact CE2-CD1 4.45Å; F1460-S1462 VanDerWaalsContact C-N 3.32Å; F1460-S1462 PolarHBondContact O-N 2.78Å; F1460-V1463 WeakPolarHBondContact O-CB 3.47Å; F1460-V1463 PolarHBondContact O-N 2.82Å; F1460-V1463 VanDerWaalsContact O-N 3.15Å; F1460-M1464 HydrophobicContact CD1-CG 4.39Å; F1460-M1464 HydrophobicContact CE1-CG 3.92Å; F1460-M1464 HydrophobicContact CE2-CG 4.42Å; F1460-M1464 HydrophobicContact CZ-CG 3.94Å; F1460-M1464 HydrophobicContact CZ-SD 4.2Å; F1460-M1464 PolarHBondContact O-N 2.92Å |
| 1461 | T | 73.4 | Confident | 69.1 | Low | 22 Ų | 22 | 61.6 Ų | 61.6 | 14% | 0.135 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 176.4 | -55 | 0 | 0 | 0 | 0 | 111.3 | F1457 K1458 S1459 V1463 M1464 D1465 | F1457-T1461 WeakPolarHBondContact O-CB 3.3Å; F1457-T1461 PolarHBondContact O-N 2.93Å; F1457-T1461 PolarHBondContact O-OG1 3.39Å; K1458-T1461 PolarHBondContact O-N 2.95Å; S1459-T1461 PolarHBondContact O-N 3.13Å; T1461-V1463 VanDerWaalsContact C-N 3.3Å; T1461-V1463 PolarHBondContact O-N 3.48Å; T1461-M1464 PolarHBondContact O-N 3.27Å; T1461-D1465 PolarHBondContact O-N 2.88Å |
| 1462 | S | 77.5 | Confident | 70.4 | Confident | 63 Ų | 63 | 54.8 Ų | 54.8 | 44% | 0.441 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.4 | -29.1 | 177.2 | 70 | 0 | 0 | 0 | 0 | 113.9 | K1458 S1459 F1460 Y1466 | K1458-S1462 PolarHBondContact O-N 3.35Å; S1459-S1462 PolarHBondContact O-N 3.26Å; S1459-S1462 PolarHBondContact O-OG 3.5Å; F1460-S1462 VanDerWaalsContact C-N 3.32Å; F1460-S1462 PolarHBondContact O-N 2.78Å; S1462-Y1466 WeakPolarHBondContact O-CB 3.41Å; S1462-Y1466 PolarHBondContact O-N 3.17Å; S1462-Y1466 VanDerWaalsContact O-N 3.1Å |
| 1463 | V | 76.6 | Confident | 71.9 | Confident | 9 Ų | 9 | 51.2 Ų | 51.2 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71 | -42.2 | 171.5 | 167.2 | 0 | 0 | 0 | 0 | 110.6 | W1404 T1408 F1412 L1440 S1459 F1460 T1461 Y1466 F1467 | W1404-V1463 HydrophobicContact CB-CG2 4.27Å; T1408-V1463 HydrophobicContact CG2-CG1 3.78Å; F1412-V1463 HydrophobicContact CZ-CG1 4.11Å; L1440-V1463 HydrophobicContact CD2-CG1 4.21Å; S1459-V1463 PolarHBondContact O-N 2.96Å; S1459-V1463 VanDerWaalsContact O-N 3.08Å; F1460-V1463 WeakPolarHBondContact O-CB 3.47Å; F1460-V1463 PolarHBondContact O-N 2.82Å; F1460-V1463 VanDerWaalsContact O-N 3.15Å; T1461-V1463 VanDerWaalsContact C-N 3.3Å; T1461-V1463 PolarHBondContact O-N 3.48Å; V1463-Y1466 WeakPolarHBondContact O-CB 3.43Å; V1463-Y1466 PolarHBondContact O-N 2.66Å; V1463-F1467 HydrophobicContact CG1-CD2 4.36Å; V1463-F1467 HydrophobicContact CG1-CE2 4.42Å; V1463-F1467 PolarHBondContact O-N 3.04Å |
| 1464 | M | 79 | Confident | 73.3 | Confident | 18 Ų | 18 | 45.4 Ų | 45.4 | 9% | 0.089 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 174.6 | -66.6 | -53.7 | -52.9 | 0 | 0 | 112.1 | L1444 F1460 T1461 Y1466 F1467 V1468 L1518 | L1444-M1464 HydrophobicContact CD1-CE 3.76Å; L1444-M1464 HydrophobicContact CD1-SD 4.24Å; F1460-M1464 HydrophobicContact CD1-CG 4.39Å; F1460-M1464 HydrophobicContact CE1-CG 3.92Å; F1460-M1464 HydrophobicContact CE2-CG 4.42Å; F1460-M1464 HydrophobicContact CZ-CG 3.94Å; F1460-M1464 HydrophobicContact CZ-SD 4.2Å; F1460-M1464 PolarHBondContact O-N 2.92Å; T1461-M1464 PolarHBondContact O-N 3.27Å; M1464-Y1466 PolarHBondContact O-N 2.97Å; M1464-F1467 WeakPolarHBondContact O-CB 3.35Å; M1464-F1467 PolarHBondContact O-N 3.14Å; M1464-F1467 VanDerWaalsContact O-N 3.11Å; M1464-V1468 WeakPolarHBondContact O-CG2 3.17Å; M1464-V1468 PolarHBondContact O-N 3.05Å; M1464-V1468 VanDerWaalsContact O-N 3.08Å; M1464-L1518 HydrophobicContact CE-CD1 4.18Å |
| 1465 | D | 75.5 | Confident | 74.3 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 16% | 0.16 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.6 | -30.7 | 172.3 | -76.3 | -37.4 | 0 | 0 | 0 | 111.9 | T1461 K1469 S1555 | T1461-D1465 PolarHBondContact O-N 2.88Å; D1465-K1469 WeakPolarHBondContact O-CB 3.47Å; D1465-K1469 VanDerWaalsContact O-CG 3.28Å; D1465-K1469 WeakPolarHBondContact O-CG 2.95Å; D1465-K1469 PolarHBondContact O-N 3.09Å; D1465-S1555 WeakPolarHBondContact OD1-CB 3.29Å; D1465-S1555 PolarHBondContact OD1-OG 3.21Å |
| 1466 | Y | 78.7 | Confident | 75.4 | Confident | 66 Ų | 66 | 35.3 Ų | 35.3 | 26% | 0.259 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -74.7 | -38 | 175 | -177.4 | -83 | 0 | 0 | 0 | 112.6 | F1412 R1416 S1462 V1463 M1464 V1468 K1469 N1470 L1472 | F1412-Y1466 HydrophobicContact CB-CE1 4.13Å; F1412-Y1466 HydrophobicContact CD1-CD1 4.28Å; F1412-Y1466 AromaticContact CD1-CE1 3.82Å; F1412-Y1466 HydrophobicContact CD1-CE1 3.82Å; F1412-Y1466 AromaticContact CD2-CD1 3.81Å; F1412-Y1466 HydrophobicContact CD2-CD1 3.81Å; F1412-Y1466 AromaticContact CD2-CE1 3.35Å; F1412-Y1466 HydrophobicContact CD2-CE1 3.35Å; F1412-Y1466 AromaticContact CD2-CZ 3.95Å; F1412-Y1466 AromaticContact CE1-CD1 3.94Å; F1412-Y1466 HydrophobicContact CE1-CD1 3.94Å; F1412-Y1466 AromaticContact CE1-CE1 3.98Å; F1412-Y1466 HydrophobicContact CE1-CE1 3.98Å; F1412-Y1466 AromaticContact CE2-CD1 3.42Å; F1412-Y1466 HydrophobicContact CE2-CD1 3.42Å; F1412-Y1466 VanDerWaalsContact CE2-CD1 3.42Å; F1412-Y1466 AromaticContact CE2-CE1 3.51Å; F1412-Y1466 HydrophobicContact CE2-CE1 3.51Å; F1412-Y1466 HydrophobicContact CE2-CG 4.23Å; F1412-Y1466 HydrophobicContact CG-CD1 4.22Å; F1412-Y1466 AromaticContact CG-CE1 3.51Å; F1412-Y1466 HydrophobicContact CG-CE1 3.51Å; F1412-Y1466 AromaticContact CZ-CD1 3.49Å; F1412-Y1466 HydrophobicContact CZ-CD1 3.49Å; F1412-Y1466 VanDerWaalsContact CZ-CD1 3.49Å; F1412-Y1466 AromaticContact CZ-CE1 3.82Å; F1412-Y1466 HydrophobicContact CZ-CE1 3.82Å; F1412-Y1466 HydrophobicContact CZ-CG 4.48Å; R1416-Y1466 PolarHBondContact NH1-OH 3.27Å; R1416-Y1466 VanDerWaalsContact NH1-OH 3.1Å; R1416-Y1466 PolarHBondContact NH2-OH 3.37Å; S1462-Y1466 WeakPolarHBondContact O-CB 3.41Å; S1462-Y1466 PolarHBondContact O-N 3.17Å; S1462-Y1466 VanDerWaalsContact O-N 3.1Å; V1463-Y1466 WeakPolarHBondContact O-CB 3.43Å; V1463-Y1466 PolarHBondContact O-N 2.66Å; M1464-Y1466 PolarHBondContact O-N 2.97Å; Y1466-V1468 VanDerWaalsContact C-N 3.27Å; Y1466-V1468 PolarHBondContact O-N 3.22Å; Y1466-K1469 PolarHBondContact O-N 2.86Å; Y1466-N1470 WeakPolarHBondContact CD1-ND2 3.45Å; Y1466-N1470 VanDerWaalsContact CD2-ND2 3.3Å; Y1466-N1470 WeakPolarHBondContact CD2-ND2 3.25Å; Y1466-N1470 WeakPolarHBondContact CE2-ND2 3.45Å; Y1466-N1470 PolarHBondContact O-N 3.45Å; Y1466-N1470 VanDerWaalsContact O-N 3.08Å; Y1466-N1470 PolarHBondContact O-ND2 3.42Å; Y1466-L1472 HydrophobicContact CD1-CD1 4.26Å; Y1466-L1472 HydrophobicContact CE1-CD1 4.27Å |
| 1467 | F | 76 | Confident | 76.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.7 | -42.1 | 169.8 | -99.9 | -99.6 | 0 | 0 | 0 | 111.7 | F1411 F1412 L1440 V1463 M1464 L1472 Y1473 W1515 L1518 | F1411-F1467 HydrophobicContact CE1-CE2 4.26Å; F1411-F1467 AromaticContact CE1-CZ 3.69Å; F1411-F1467 HydrophobicContact CE1-CZ 3.69Å; F1411-F1467 HydrophobicContact CZ-CZ 4.25Å; F1412-F1467 AromaticContact CE1-CD2 3.81Å; F1412-F1467 HydrophobicContact CE1-CD2 3.81Å; F1412-F1467 AromaticContact CE1-CE2 3.48Å; F1412-F1467 HydrophobicContact CE1-CE2 3.48Å; F1412-F1467 VanDerWaalsContact CE1-CE2 3.48Å; F1412-F1467 HydrophobicContact CE1-CZ 4.13Å; F1412-F1467 AromaticContact CZ-CD2 3.81Å; F1412-F1467 HydrophobicContact CZ-CD2 3.81Å; F1412-F1467 AromaticContact CZ-CE2 3.7Å; F1412-F1467 HydrophobicContact CZ-CE2 3.7Å; L1440-F1467 HydrophobicContact CD1-CD2 4.48Å; L1440-F1467 HydrophobicContact CD1-CE2 3.43Å; L1440-F1467 VanDerWaalsContact CD1-CE2 3.43Å; L1440-F1467 HydrophobicContact CD1-CZ 3.52Å; V1463-F1467 HydrophobicContact CG1-CD2 4.36Å; V1463-F1467 HydrophobicContact CG1-CE2 4.42Å; V1463-F1467 PolarHBondContact O-N 3.04Å; M1464-F1467 WeakPolarHBondContact O-CB 3.35Å; M1464-F1467 PolarHBondContact O-N 3.14Å; M1464-F1467 VanDerWaalsContact O-N 3.11Å; F1467-L1472 HydrophobicContact CD1-CB 3.95Å; F1467-L1472 HydrophobicContact CD1-CD1 4.09Å; F1467-L1472 HydrophobicContact CD2-CD1 4.24Å; F1467-L1472 HydrophobicContact CE1-CB 4.4Å; F1467-L1472 HydrophobicContact CE1-CD1 4.37Å; F1467-L1472 HydrophobicContact CG-CD1 4.03Å; F1467-L1472 PolarHBondContact O-N 3.27Å; F1467-L1472 VanDerWaalsContact O-N 3.14Å; F1467-Y1473 HydrophobicContact CB-CE2 4.18Å; F1467-Y1473 HydrophobicContact CD1-CE1 4.47Å; F1467-Y1473 HydrophobicContact CD1-CE2 4.03Å; F1467-Y1473 AromaticContact CD1-CZ 3.9Å; F1467-W1515 HydrophobicContact CD1-CZ3 4.39Å; F1467-W1515 AromaticContact CE1-CH2 3.86Å; F1467-W1515 HydrophobicContact CE1-CH2 3.86Å; F1467-W1515 AromaticContact CE1-CZ3 3.81Å; F1467-W1515 HydrophobicContact CE1-CZ3 3.81Å; F1467-L1518 HydrophobicContact CE1-CD2 4.12Å |
| 1468 | V | 74.7 | Confident | 77 | Confident | 13 Ų | 13 | 35.2 Ų | 35.2 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.5 | -60.4 | 174 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | M1464 Y1466 N1470 N1471 D1558 F1559 I1562 | M1464-V1468 WeakPolarHBondContact O-CG2 3.17Å; M1464-V1468 PolarHBondContact O-N 3.05Å; M1464-V1468 VanDerWaalsContact O-N 3.08Å; Y1466-V1468 VanDerWaalsContact C-N 3.27Å; Y1466-V1468 PolarHBondContact O-N 3.22Å; V1468-N1470 PolarHBondContact O-N 3Å; V1468-N1470 VanDerWaalsContact O-N 3.08Å; V1468-N1471 PolarHBondContact O-N 3.36Å; V1468-N1471 PolarHBondContact O-OD1 2.85Å; V1468-D1558 HydrophobicContact CG1-CB 3.92Å; V1468-F1559 HydrophobicContact CB-CD2 4.45Å; V1468-F1559 HydrophobicContact CG1-CB 4Å; V1468-F1559 HydrophobicContact CG1-CD2 4.1Å; V1468-F1559 HydrophobicContact CG2-CD2 3.69Å; V1468-F1559 HydrophobicContact CG2-CE2 4.35Å; V1468-I1562 HydrophobicContact CB-CD1 4.32Å; V1468-I1562 HydrophobicContact CG1-CD1 3.89Å; V1468-I1562 WeakPolarHBondContact O-CD1 3.2Å |
| 1469 | K | 73.6 | Confident | 77.4 | Confident | 134 Ų | 134 | 30.1 Ų | 30.1 | 58% | 0.583 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -62.5 | -22.6 | -171.5 | -74.7 | 171.5 | 179.9 | 173.1 | 0 | 115.8 | D1465 Y1466 | D1465-K1469 WeakPolarHBondContact O-CB 3.47Å; D1465-K1469 VanDerWaalsContact O-CG 3.28Å; D1465-K1469 WeakPolarHBondContact O-CG 2.95Å; D1465-K1469 PolarHBondContact O-N 3.09Å; Y1466-K1469 PolarHBondContact O-N 2.86Å |
| 1470 | N | 71.9 | Confident | 77.8 | Confident | 55 Ų | 55 | 28.4 Ų | 28.4 | 29% | 0.294 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 8.1 | 175.8 | -62.9 | -97.7 | 0 | 0 | 0 | 112.9 | R1416 Y1466 V1468 L1472 | R1416-N1470 PolarHBondContact NH2-OD1 2.86Å; Y1466-N1470 WeakPolarHBondContact CD1-ND2 3.45Å; Y1466-N1470 VanDerWaalsContact CD2-ND2 3.3Å; Y1466-N1470 WeakPolarHBondContact CD2-ND2 3.25Å; Y1466-N1470 WeakPolarHBondContact CE2-ND2 3.45Å; Y1466-N1470 PolarHBondContact O-N 3.45Å; Y1466-N1470 VanDerWaalsContact O-N 3.08Å; Y1466-N1470 PolarHBondContact O-ND2 3.42Å; V1468-N1470 PolarHBondContact O-N 3Å; V1468-N1470 VanDerWaalsContact O-N 3.08Å; N1470-L1472 HydrophobicContact CB-CD2 3.73Å; N1470-L1472 HydrophobicContact CB-CG 3.96Å; N1470-L1472 PolarHBondContact O-N 3.02Å; N1470-L1472 VanDerWaalsContact O-N 3.16Å |
| 1471 | N | 74.9 | Confident | 78 | Confident | 63 Ų | 63 | 30.7 Ų | 30.7 | 34% | 0.337 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 38.2 | -177.8 | -64.8 | -11.4 | 0 | 0 | 0 | 113.8 | V1468 Y1473 N1474 L1475 I1562 | V1468-N1471 PolarHBondContact O-N 3.36Å; V1468-N1471 PolarHBondContact O-OD1 2.85Å; N1471-Y1473 PolarHBondContact O-N 3.3Å; N1471-Y1473 VanDerWaalsContact O-N 3.07Å; N1471-N1474 HydrophobicContact CB-CB 4.33Å; N1471-N1474 WeakPolarHBondContact O-CB 3.27Å; N1471-N1474 PolarHBondContact O-N 2.66Å; N1471-L1475 PolarHBondContact O-N 2.93Å; N1471-I1562 HydrophobicContact CB-CG1 4.46Å; N1471-I1562 VanDerWaalsContact OD1-CG1 3.27Å; N1471-I1562 WeakPolarHBondContact OD1-CG1 3.27Å |
| 1472 | L | 76.6 | Confident | 78.4 | Confident | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.7 | -26.7 | -168.4 | -63.4 | -174.8 | 0 | 0 | 0 | 113.7 | F1412 Y1466 F1467 N1470 L1475 W1476 | F1412-L1472 HydrophobicContact CD1-CD1 3.54Å; F1412-L1472 HydrophobicContact CE1-CD1 3.32Å; F1412-L1472 HydrophobicContact CZ-CD1 4.28Å; Y1466-L1472 HydrophobicContact CD1-CD1 4.26Å; Y1466-L1472 HydrophobicContact CE1-CD1 4.27Å; F1467-L1472 HydrophobicContact CD1-CB 3.95Å; F1467-L1472 HydrophobicContact CD1-CD1 4.09Å; F1467-L1472 HydrophobicContact CD2-CD1 4.24Å; F1467-L1472 HydrophobicContact CE1-CB 4.4Å; F1467-L1472 HydrophobicContact CE1-CD1 4.37Å; F1467-L1472 HydrophobicContact CG-CD1 4.03Å; F1467-L1472 PolarHBondContact O-N 3.27Å; F1467-L1472 VanDerWaalsContact O-N 3.14Å; N1470-L1472 HydrophobicContact CB-CD2 3.73Å; N1470-L1472 HydrophobicContact CB-CG 3.96Å; N1470-L1472 PolarHBondContact O-N 3.02Å; N1470-L1472 VanDerWaalsContact O-N 3.16Å; L1472-L1475 PolarHBondContact O-N 2.76Å; L1472-W1476 PolarHBondContact O-N 3.43Å |
| 1473 | Y | 80.2 | Confident | 78.3 | Confident | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.6 | -42.2 | 171.6 | -60.7 | -79.8 | 0 | 0 | 0 | 112.5 | F1467 N1471 W1476 F1477 W1515 L1518 L1519 N1522 F1559 I1562 | F1467-Y1473 HydrophobicContact CB-CE2 4.18Å; F1467-Y1473 HydrophobicContact CD1-CE1 4.47Å; F1467-Y1473 HydrophobicContact CD1-CE2 4.03Å; F1467-Y1473 AromaticContact CD1-CZ 3.9Å; N1471-Y1473 PolarHBondContact O-N 3.3Å; N1471-Y1473 VanDerWaalsContact O-N 3.07Å; Y1473-W1476 PolarHBondContact O-N 3.35Å; Y1473-F1477 WeakPolarHBondContact O-CD2 3.49Å; Y1473-F1477 PolarHBondContact O-N 2.63Å; Y1473-W1515 AromaticContact CD1-CE3 3.77Å; Y1473-W1515 HydrophobicContact CD1-CE3 3.77Å; Y1473-W1515 AromaticContact CD1-CZ3 3.86Å; Y1473-W1515 HydrophobicContact CD1-CZ3 3.86Å; Y1473-W1515 HydrophobicContact CE1-CE3 4.09Å; Y1473-W1515 HydrophobicContact CE1-CZ3 4.18Å; Y1473-W1515 HydrophobicContact CG-CZ3 4.43Å; Y1473-L1518 HydrophobicContact CE1-CD2 4Å; Y1473-L1518 HydrophobicContact CE1-CG 4.11Å; Y1473-L1518 WeakPolarHBondContact OH-CD2 3.27Å; Y1473-L1518 WeakPolarHBondContact OH-CG 3.29Å; Y1473-L1519 HydrophobicContact CD1-CB 4.45Å; Y1473-L1519 HydrophobicContact CD1-CD1 3.92Å; Y1473-L1519 HydrophobicContact CE1-CB 4.46Å; Y1473-L1519 HydrophobicContact CE1-CD1 4.33Å; Y1473-L1519 HydrophobicContact CG-CD1 4.13Å; Y1473-N1522 PolarHBondContact OH-ND2 3.29Å; Y1473-F1559 HydrophobicContact CE2-CE2 4.27Å; Y1473-I1562 HydrophobicContact CD2-CG2 4.23Å |
| 1474 | N | 80.1 | Confident | 78.4 | Confident | 11 Ų | 11 | 29.7 Ų | 29.7 | 6% | 0.059 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.1 | -43.2 | 175.1 | 175.7 | -87.3 | 0 | 0 | 0 | 110.9 | N1471 W1476 F1477 K1478 S1565 I1566 D1569 | N1471-N1474 HydrophobicContact CB-CB 4.33Å; N1471-N1474 WeakPolarHBondContact O-CB 3.27Å; N1471-N1474 PolarHBondContact O-N 2.66Å; N1474-W1476 VanDerWaalsContact C-N 3.3Å; N1474-W1476 PolarHBondContact O-N 3.39Å; N1474-F1477 PolarHBondContact O-N 3.08Å; N1474-K1478 PolarHBondContact O-N 3.14Å; N1474-K1478 WeakPolarHBondContact OD1-CD 3.33Å; N1474-K1478 WeakPolarHBondContact OD1-CE 3.5Å; N1474-K1478 PolarHBondContact OD1-NZ 3.41Å; N1474-S1565 PolarHBondContact ND2-O 2.96Å; N1474-S1565 VanDerWaalsContact ND2-O 3.07Å; N1474-S1565 PolarHBondContact ND2-OG 3.35Å; N1474-I1566 HydrophobicContact CB-CG1 4.12Å; N1474-D1569 PolarHBondContact ND2-OD2 3.29Å |
| 1475 | L | 80.4 | Confident | 78.5 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.068 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.1 | -40.2 | 176 | -175.5 | 148.3 | 0 | 0 | 0 | 111.6 | L1415 E1419 N1471 L1472 K1478 L1479 | L1415-L1475 HydrophobicContact CB-CD2 3.96Å; L1415-L1475 HydrophobicContact CD1-CD2 4.49Å; L1415-L1475 HydrophobicContact CD2-CD2 4.12Å; L1415-L1475 HydrophobicContact CG-CD2 4.43Å; E1419-L1475 HydrophobicContact CB-CD1 4.39Å; N1471-L1475 PolarHBondContact O-N 2.93Å; L1472-L1475 PolarHBondContact O-N 2.76Å; L1475-K1478 PolarHBondContact O-N 3.14Å; L1475-L1479 HydrophobicContact CD2-CD1 3.61Å; L1475-L1479 HydrophobicContact CD2-CG 4.33Å; L1475-L1479 WeakPolarHBondContact O-CG 3.36Å; L1475-L1479 PolarHBondContact O-N 3.24Å |
| 1476 | W | 84.3 | Confident | 78.5 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 172.9 | 176.9 | -99.3 | 0 | 0 | 0 | 113.2 | L1425 C1433 L1472 Y1473 N1474 K1478 L1479 T1480 L1508 V1511 T1512 W1515 | L1425-W1476 HydrophobicContact CD1-CH2 4.24Å; L1425-W1476 HydrophobicContact CD1-CZ3 3.71Å; C1433-W1476 HydrophobicContact CB-CH2 4.44Å; C1433-W1476 HydrophobicContact CB-CZ3 3.87Å; L1472-W1476 PolarHBondContact O-N 3.43Å; Y1473-W1476 PolarHBondContact O-N 3.35Å; N1474-W1476 VanDerWaalsContact C-N 3.3Å; N1474-W1476 PolarHBondContact O-N 3.39Å; W1476-K1478 VanDerWaalsContact C-N 3.32Å; W1476-K1478 PolarHBondContact O-N 3.13Å; W1476-L1479 PolarHBondContact O-N 3.17Å; W1476-T1480 PolarHBondContact NE1-OG1 3.42Å; W1476-T1480 PolarHBondContact O-N 3.21Å; W1476-T1480 PolarHBondContact O-OG1 3.16Å; W1476-L1508 HydrophobicContact CZ2-CD1 4.48Å; W1476-V1511 HydrophobicContact CH2-CB 4.33Å; W1476-V1511 HydrophobicContact CH2-CG1 3.45Å; W1476-V1511 VanDerWaalsContact CH2-CG1 3.45Å; W1476-V1511 HydrophobicContact CZ2-CB 4.15Å; W1476-V1511 HydrophobicContact CZ2-CG1 3.44Å; W1476-V1511 VanDerWaalsContact CZ2-CG1 3.44Å; W1476-V1511 HydrophobicContact CZ3-CG1 4.27Å; W1476-T1512 HydrophobicContact CZ2-CG2 4.38Å; W1476-W1515 HydrophobicContact CB-CD2 4.02Å; W1476-W1515 HydrophobicContact CB-CE3 4.03Å; W1476-W1515 HydrophobicContact CB-CH2 3.83Å; W1476-W1515 HydrophobicContact CB-CZ2 3.82Å; W1476-W1515 HydrophobicContact CB-CZ3 3.94Å; W1476-W1515 AromaticContact CD1-CD1 3.93Å; W1476-W1515 AromaticContact CD1-CD2 3.82Å; W1476-W1515 AromaticContact CD1-CG 3.71Å; W1476-W1515 AromaticContact CD2-CD1 3.71Å; W1476-W1515 HydrophobicContact CD2-CD2 4.02Å; W1476-W1515 AromaticContact CD2-CE2 3.47Å; W1476-W1515 VanDerWaalsContact CD2-CE2 3.47Å; W1476-W1515 HydrophobicContact CD2-CG 4.15Å; W1476-W1515 AromaticContact CD2-CZ2 3.92Å; W1476-W1515 HydrophobicContact CD2-CZ2 3.92Å; W1476-W1515 AromaticContact CD2-NE1 3.26Å; W1476-W1515 VanDerWaalsContact CD2-NE1 3.26Å; W1476-W1515 AromaticContact CE2-CD1 3.57Å; W1476-W1515 AromaticContact CE2-NE1 3.57Å; W1476-W1515 AromaticContact CE3-CE2 3.71Å; W1476-W1515 AromaticContact CE3-CZ2 3.82Å; W1476-W1515 HydrophobicContact CE3-CZ2 3.82Å; W1476-W1515 AromaticContact CE3-NE1 3.46Å; W1476-W1515 AromaticContact CG-CD2 3.62Å; W1476-W1515 HydrophobicContact CG-CD2 3.62Å; W1476-W1515 AromaticContact CG-CE2 3.49Å; W1476-W1515 VanDerWaalsContact CG-CE2 3.49Å; W1476-W1515 HydrophobicContact CG-CE3 4.11Å; W1476-W1515 AromaticContact CG-CG 3.94Å; W1476-W1515 HydrophobicContact CG-CG 3.94Å; W1476-W1515 HydrophobicContact CG-CH2 4.35Å; W1476-W1515 AromaticContact CG-CZ2 3.89Å; W1476-W1515 HydrophobicContact CG-CZ2 3.89Å; W1476-W1515 HydrophobicContact CG-CZ3 4.45Å; W1476-W1515 AromaticContact CG-NE1 3.74Å; W1476-W1515 AromaticContact CZ3-NE1 3.93Å; W1476-W1515 AromaticContact NE1-CD1 3.66Å; W1476-W1515 AromaticContact NE1-CG 3.82Å |
| 1477 | F | 83 | Confident | 78.3 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.2 | -30.9 | 178 | -70.1 | -63.6 | 0 | 0 | 0 | 112.6 | Y1473 N1474 T1480 R1481 I1566 D1569 L1570 L1593 I1596 | Y1473-F1477 WeakPolarHBondContact O-CD2 3.49Å; Y1473-F1477 PolarHBondContact O-N 2.63Å; N1474-F1477 PolarHBondContact O-N 3.08Å; F1477-T1480 WeakPolarHBondContact O-CB 3.26Å; F1477-T1480 PolarHBondContact O-N 3.16Å; F1477-R1481 PolarHBondContact O-N 3.14Å; F1477-I1566 HydrophobicContact CD2-CB 4.47Å; F1477-I1566 HydrophobicContact CD2-CD1 4.19Å; F1477-I1566 HydrophobicContact CD2-CG1 4.08Å; F1477-I1566 HydrophobicContact CD2-CG2 3.63Å; F1477-I1566 HydrophobicContact CE2-CD1 4.24Å; F1477-I1566 HydrophobicContact CE2-CG2 3.89Å; F1477-I1566 HydrophobicContact CG-CG2 4.38Å; F1477-D1569 HydrophobicContact CB-CB 4.15Å; F1477-L1570 HydrophobicContact CD1-CD2 3.74Å; F1477-L1570 HydrophobicContact CE1-CD2 3.73Å; F1477-L1570 HydrophobicContact CG-CD2 4.22Å; F1477-L1570 HydrophobicContact CZ-CD2 4.21Å; F1477-L1593 HydrophobicContact CD1-CD2 4.47Å; F1477-L1593 HydrophobicContact CE1-CD2 4.22Å; F1477-I1596 HydrophobicContact CE1-CD1 4.01Å; F1477-I1596 HydrophobicContact CZ-CD1 3.98Å; F1477-I1596 HydrophobicContact CZ-CG2 4.05Å |
| 1478 | K | 81.8 | Confident | 78.2 | Confident | 75 Ų | 75 | 34.4 Ų | 34.4 | 33% | 0.326 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -65.1 | -40.2 | 168.7 | -76.1 | 173.6 | 175.1 | 158.2 | 0 | 113.2 | N1474 L1475 W1476 T1480 R1481 K1482 D1569 | N1474-K1478 PolarHBondContact O-N 3.14Å; N1474-K1478 WeakPolarHBondContact OD1-CD 3.33Å; N1474-K1478 WeakPolarHBondContact OD1-CE 3.5Å; N1474-K1478 PolarHBondContact OD1-NZ 3.41Å; L1475-K1478 PolarHBondContact O-N 3.14Å; W1476-K1478 VanDerWaalsContact C-N 3.32Å; W1476-K1478 PolarHBondContact O-N 3.13Å; K1478-T1480 VanDerWaalsContact C-N 3.34Å; K1478-R1481 PolarHBondContact O-N 3Å; K1478-K1482 PolarHBondContact O-N 2.8Å; K1478-D1569 WeakPolarHBondContact CG-OD1 3.43Å |
| 1479 | L | 78.2 | Confident | 78.2 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.7 | -37.6 | 173.5 | -69.7 | 172.6 | 0 | 0 | 0 | 111.4 | L1415 Q1418 L1425 L1475 W1476 R1481 K1482 C1483 | L1415-L1479 HydrophobicContact CD2-CD1 3.85Å; Q1418-L1479 HydrophobicContact CB-CD2 4.2Å; Q1418-L1479 WeakPolarHBondContact O-CD2 3.48Å; L1425-L1479 HydrophobicContact CD1-CB 4.17Å; L1425-L1479 HydrophobicContact CD1-CD1 4.04Å; L1475-L1479 HydrophobicContact CD2-CD1 3.61Å; L1475-L1479 HydrophobicContact CD2-CG 4.33Å; L1475-L1479 WeakPolarHBondContact O-CG 3.36Å; L1475-L1479 PolarHBondContact O-N 3.24Å; W1476-L1479 PolarHBondContact O-N 3.17Å; L1479-R1481 PolarHBondContact O-N 3.47Å; L1479-K1482 HydrophobicContact CD2-CD 4.2Å; L1479-K1482 PolarHBondContact O-N 3.13Å; L1479-C1483 WeakPolarHBondContact O-CB 3.48Å; L1479-C1483 PolarHBondContact O-N 2.67Å |
| 1480 | T | 80.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.5 | -47 | 171.1 | -53.1 | 0 | 0 | 0 | 0 | 110.5 | W1476 F1477 K1478 C1483 L1484 L1508 T1512 | W1476-T1480 PolarHBondContact NE1-OG1 3.42Å; W1476-T1480 PolarHBondContact O-N 3.21Å; W1476-T1480 PolarHBondContact O-OG1 3.16Å; F1477-T1480 WeakPolarHBondContact O-CB 3.26Å; F1477-T1480 PolarHBondContact O-N 3.16Å; K1478-T1480 VanDerWaalsContact C-N 3.34Å; T1480-C1483 PolarHBondContact O-N 2.88Å; T1480-L1484 HydrophobicContact CG2-CD1 4.41Å; T1480-L1484 WeakPolarHBondContact O-CG 3.4Å; T1480-L1484 PolarHBondContact O-N 2.88Å; T1480-L1508 HydrophobicContact CG2-CD1 4.37Å; T1480-L1508 HydrophobicContact CG2-CD2 4.08Å; T1480-L1508 HydrophobicContact CG2-CG 4.27Å; T1480-T1512 HydrophobicContact CG2-CG2 4.22Å |
| 1481 | R | 82.1 | Confident | 77.1 | Confident | 55 Ų | 55 | 32 Ų | 32 | 21% | 0.208 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 175.2 | -165.1 | -172.7 | 59.1 | -147.6 | -16.8 | 112.6 | F1477 K1478 L1479 C1483 L1484 H1485 D1569 E1572 L1576 | F1477-R1481 PolarHBondContact O-N 3.14Å; K1478-R1481 PolarHBondContact O-N 3Å; L1479-R1481 PolarHBondContact O-N 3.47Å; R1481-C1483 VanDerWaalsContact C-N 3.27Å; R1481-C1483 PolarHBondContact O-N 3.4Å; R1481-L1484 PolarHBondContact O-N 3.31Å; R1481-H1485 PolarHBondContact O-CD2 3.32Å; R1481-H1485 PolarHBondContact O-N 3.07Å; R1481-D1569 IonicContact CZ-OD1 3.77Å; R1481-D1569 VanDerWaalsContact CZ-OD1 3.3Å; R1481-D1569 IonicContact NH1-OD1 3.76Å; R1481-D1569 PolarHBondContact NH1-OD1 3.01Å; R1481-D1569 IonicContact NH2-OD1 3.94Å; R1481-E1572 VanDerWaalsContact CD-CD 3.46Å; R1481-E1572 WeakPolarHBondContact CD-OE2 3.38Å; R1481-E1572 IonicContact CZ-OE2 2.86Å; R1481-E1572 IonicContact NE-OE2 2.73Å; R1481-E1572 IonicContact NH1-OE2 3.79Å; R1481-E1572 PolarHBondContact NH1-OE2 3.32Å; R1481-L1576 HydrophobicContact CG-CD1 3.63Å |
| 1482 | K | 80.6 | Confident | 76.3 | Confident | 67 Ų | 67 | 37.2 Ų | 37.2 | 29% | 0.291 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -54.6 | -44.6 | 172.9 | -80.2 | -164.4 | -174.4 | -178.5 | 0 | 110.9 | Q1418 E1419 E1421 K1478 L1479 H1485 K1486 | Q1418-K1482 PolarHBondContact O-NZ 3.42Å; E1419-K1482 PolarHBondContact O-NZ 3.38Å; E1421-K1482 PolarHBondContact O-NZ 2.89Å; K1478-K1482 PolarHBondContact O-N 2.8Å; L1479-K1482 HydrophobicContact CD2-CD 4.2Å; L1479-K1482 PolarHBondContact O-N 3.13Å; K1482-H1485 PolarHBondContact O-N 2.87Å; K1482-K1486 PolarHBondContact O-N 3.44Å; K1482-K1486 VanDerWaalsContact O-N 3.1Å |
| 1483 | C | 76.4 | Confident | 75.2 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.6 | -47.1 | -177.7 | -165.9 | 0 | 0 | 0 | 0 | 111.8 | P1424 L1479 T1480 R1481 H1485 K1486 V1487 L1508 | P1424-C1483 HydrophobicContact CB-CB 4.03Å; L1479-C1483 WeakPolarHBondContact O-CB 3.48Å; L1479-C1483 PolarHBondContact O-N 2.67Å; T1480-C1483 PolarHBondContact O-N 2.88Å; R1481-C1483 VanDerWaalsContact C-N 3.27Å; R1481-C1483 PolarHBondContact O-N 3.4Å; C1483-H1485 PolarHBondContact O-N 3.12Å; C1483-K1486 PolarHBondContact O-N 3.02Å; C1483-V1487 WeakPolarHBondContact O-CG2 3.5Å; C1483-V1487 PolarHBondContact O-N 3.49Å; C1483-L1508 HydrophobicContact CB-CD2 4.48Å |
| 1484 | L | 78.5 | Confident | 73.8 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 175.4 | -71.4 | 169.3 | 0 | 0 | 0 | 111.8 | T1480 R1481 K1486 V1487 L1488 L1505 L1508 C1573 L1576 L1577 L1580 L1589 | T1480-L1484 HydrophobicContact CG2-CD1 4.41Å; T1480-L1484 WeakPolarHBondContact O-CG 3.4Å; T1480-L1484 PolarHBondContact O-N 2.88Å; R1481-L1484 PolarHBondContact O-N 3.31Å; L1484-K1486 PolarHBondContact O-N 3.48Å; L1484-V1487 PolarHBondContact O-N 2.93Å; L1484-L1488 PolarHBondContact O-N 3.04Å; L1484-L1505 HydrophobicContact CD2-CD2 4.04Å; L1484-L1508 HydrophobicContact CD2-CD2 4.21Å; L1484-L1508 HydrophobicContact CG-CD2 4.25Å; L1484-C1573 HydrophobicContact CD1-CB 3.98Å; L1484-L1576 HydrophobicContact CB-CB 4.07Å; L1484-L1576 HydrophobicContact CB-CD1 3.99Å; L1484-L1576 HydrophobicContact CD1-CB 4.48Å; L1484-L1577 HydrophobicContact CD1-CG 4.37Å; L1484-L1577 HydrophobicContact CD2-CD2 4.23Å; L1484-L1577 HydrophobicContact CD2-CG 4.38Å; L1484-L1580 HydrophobicContact CD2-CD1 3.86Å; L1484-L1589 HydrophobicContact CD2-CD2 4.15Å |
| 1485 | H | 81.3 | Confident | 72.5 | Confident | 86 Ų | 86 | 56.6 Ų | 56.6 | 40% | 0.398 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.4 | -44.4 | 174.3 | -90.3 | -62.6 | 0 | 0 | 0 | 113.2 | R1481 K1482 C1483 L1488 S1489 L1576 | R1481-H1485 PolarHBondContact O-CD2 3.32Å; R1481-H1485 PolarHBondContact O-N 3.07Å; K1482-H1485 PolarHBondContact O-N 2.87Å; C1483-H1485 PolarHBondContact O-N 3.12Å; H1485-L1488 WeakPolarHBondContact O-CB 3.42Å; H1485-L1488 PolarHBondContact O-N 3.45Å; H1485-S1489 PolarHBondContact O-N 3.46Å; H1485-S1489 PolarHBondContact O-OG 3.12Å; H1485-L1576 VanDerWaalsContact CE1-CD2 3.47Å; H1485-L1576 WeakPolarHBondContact CE1-CD2 3.37Å |
| 1486 | K | 75.6 | Confident | 71.4 | Confident | 85 Ų | 85 | 58.6 Ų | 58.6 | 37% | 0.37 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.6 | -38.8 | -179.9 | -164.2 | 178 | 178.9 | -167.5 | 0 | 111.4 | E1423 P1424 K1482 C1483 L1484 L1488 S1489 S1490 | E1423-K1486 IonicContact OE1-NZ 3.84Å; E1423-K1486 PolarHBondContact OE1-NZ 2.93Å; P1424-K1486 HydrophobicContact CG-CB 4.05Å; P1424-K1486 HydrophobicContact CG-CD 3.74Å; P1424-K1486 HydrophobicContact CG-CG 4.47Å; K1482-K1486 PolarHBondContact O-N 3.44Å; K1482-K1486 VanDerWaalsContact O-N 3.1Å; C1483-K1486 PolarHBondContact O-N 3.02Å; L1484-K1486 PolarHBondContact O-N 3.48Å; K1486-L1488 VanDerWaalsContact C-N 3.34Å; K1486-L1488 PolarHBondContact O-N 3.04Å; K1486-S1489 WeakPolarHBondContact CA-OG 3.26Å; K1486-S1489 PolarHBondContact O-N 3.31Å; K1486-S1489 PolarHBondContact O-OG 3.35Å; K1486-S1490 WeakPolarHBondContact O-CB 3.11Å; K1486-S1490 PolarHBondContact O-N 3.14Å; K1486-S1490 PolarHBondContact O-OG 2.85Å |
| 1487 | V | 74.5 | Confident | 70.4 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.9 | -47.9 | 173.9 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | C1483 L1484 S1490 S1491 L1501 R1504 L1580 | C1483-V1487 WeakPolarHBondContact O-CG2 3.5Å; C1483-V1487 PolarHBondContact O-N 3.49Å; L1484-V1487 PolarHBondContact O-N 2.93Å; V1487-S1490 WeakPolarHBondContact CA-OG 3.47Å; V1487-S1490 WeakPolarHBondContact O-CB 3.33Å; V1487-S1490 PolarHBondContact O-N 2.83Å; V1487-S1490 VanDerWaalsContact O-N 3.08Å; V1487-S1490 PolarHBondContact O-OG 3.3Å; V1487-S1491 PolarHBondContact O-N 3.45Å; V1487-S1491 PolarHBondContact O-OG 3.18Å; V1487-L1501 HydrophobicContact CG1-CD1 4.46Å; V1487-L1501 HydrophobicContact CG1-CD2 3.6Å; V1487-L1501 HydrophobicContact CG1-CG 3.86Å; V1487-R1504 HydrophobicContact CG2-CG 4.06Å; V1487-L1580 HydrophobicContact CG1-CD2 3.82Å |
| 1488 | L | 73.8 | Confident | 69.6 | Low | 31 Ų | 31 | 67 Ų | 67 | 16% | 0.162 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.1 | -52.2 | 174.1 | -95 | 162.8 | 0 | 0 | 0 | 113.2 | L1484 H1485 K1486 S1490 S1491 L1576 D1579 L1580 | L1484-L1488 PolarHBondContact O-N 3.04Å; H1485-L1488 WeakPolarHBondContact O-CB 3.42Å; H1485-L1488 PolarHBondContact O-N 3.45Å; K1486-L1488 VanDerWaalsContact C-N 3.34Å; K1486-L1488 PolarHBondContact O-N 3.04Å; L1488-S1490 PolarHBondContact O-N 3.19Å; L1488-S1490 VanDerWaalsContact O-N 3.08Å; L1488-S1491 WeakPolarHBondContact CA-OG 3.49Å; L1488-S1491 PolarHBondContact O-N 3.16Å; L1488-S1491 VanDerWaalsContact O-N 3.15Å; L1488-S1491 PolarHBondContact O-OG 2.87Å; L1488-L1576 HydrophobicContact CD1-CB 3.94Å; L1488-L1576 HydrophobicContact CD1-CD2 3.7Å; L1488-L1576 HydrophobicContact CD1-CG 4.41Å; L1488-L1576 WeakPolarHBondContact CD1-O 3.39Å; L1488-D1579 HydrophobicContact CD1-CB 4.14Å; L1488-D1579 HydrophobicContact CD2-CB 3.62Å; L1488-L1580 HydrophobicContact CD2-CD2 4.2Å; L1488-L1580 HydrophobicContact CD2-CG 4.4Å; L1488-L1580 HydrophobicContact CG-CD2 3.91Å; L1488-L1580 HydrophobicContact CG-CG 4.11Å |
| 1489 | S | 73.9 | Confident | 68.9 | Low | 72 Ų | 72 | 70.6 Ų | 70.6 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.1 | -16.4 | 177.9 | 68.5 | 0 | 0 | 0 | 0 | 113.9 | H1485 K1486 | H1485-S1489 PolarHBondContact O-N 3.46Å; H1485-S1489 PolarHBondContact O-OG 3.12Å; K1486-S1489 WeakPolarHBondContact CA-OG 3.26Å; K1486-S1489 PolarHBondContact O-N 3.31Å; K1486-S1489 PolarHBondContact O-OG 3.35Å |
| 1490 | S | 65.9 | Low | 68.5 | Low | 29 Ų | 29 | 76 Ų | 76 | 20% | 0.203 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -89.9 | -35.2 | 177.3 | 77.8 | 0 | 0 | 0 | 0 | 111.7 | K1486 V1487 L1488 E1492 S1493 I1496 | K1486-S1490 WeakPolarHBondContact O-CB 3.11Å; K1486-S1490 PolarHBondContact O-N 3.14Å; K1486-S1490 PolarHBondContact O-OG 2.85Å; V1487-S1490 WeakPolarHBondContact CA-OG 3.47Å; V1487-S1490 WeakPolarHBondContact O-CB 3.33Å; V1487-S1490 PolarHBondContact O-N 2.83Å; V1487-S1490 VanDerWaalsContact O-N 3.08Å; V1487-S1490 PolarHBondContact O-OG 3.3Å; L1488-S1490 PolarHBondContact O-N 3.19Å; L1488-S1490 VanDerWaalsContact O-N 3.08Å; S1490-E1492 PolarHBondContact O-N 3.42Å; S1490-S1493 PolarHBondContact O-N 3.31Å; S1490-S1493 PolarHBondContact O-OG 3.39Å; S1490-I1496 VanDerWaalsContact C-CD1 3.43Å; S1490-I1496 WeakPolarHBondContact O-CD1 3.23Å; S1490-I1496 WeakPolarHBondContact OG-CD1 3.26Å |
| 1491 | S | 56.5 | Low | 68.1 | Low | 49 Ų | 49 | 76.6 Ų | 76.6 | 34% | 0.343 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.9 | -8.8 | 174.5 | 41.4 | 0 | 0 | 0 | 0 | 114.8 | V1487 L1488 | V1487-S1491 PolarHBondContact O-N 3.45Å; V1487-S1491 PolarHBondContact O-OG 3.18Å; L1488-S1491 WeakPolarHBondContact CA-OG 3.49Å; L1488-S1491 PolarHBondContact O-N 3.16Å; L1488-S1491 VanDerWaalsContact O-N 3.15Å; L1488-S1491 PolarHBondContact O-OG 2.87Å |
| 1492 | E | 57.3 | Low | 68 | Low | 173 Ų | 173 | 78.1 Ų | 78.1 | 81% | 0.808 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -6.9 | 167.4 | -63.5 | -174.5 | 154.2 | 0 | 0 | 113.2 | S1490 | S1490-E1492 PolarHBondContact O-N 3.42Š|
| 1493 | S | 55 | Low | 67.8 | Low | 62 Ų | 62 | 77.9 Ų | 77.9 | 43% | 0.434 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -102.1 | 129.2 | 170.4 | 64.1 | 0 | 0 | 0 | 0 | 111.1 | S1490 D1495 | S1490-S1493 PolarHBondContact O-N 3.31Å; S1490-S1493 PolarHBondContact O-OG 3.39Å; S1493-D1495 PolarHBondContact O-N 2.85Å |
| 1494 | E | 50.8 | Low | 67.9 | Low | 202 Ų | 202 | 78.5 Ų | 78.5 | 94% | 0.944 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -10 | -163.5 | -60.4 | -175.2 | 130.8 | 0 | 0 | 115.1 | ||
| 1495 | D | 51.4 | Low | 68 | Low | 161 Ų | 161 | 78.5 Ų | 78.5 | 86% | 0.861 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 2.1 | -170.4 | -71.2 | -46 | 0 | 0 | 0 | 115.6 | S1493 S1497 | S1493-D1495 PolarHBondContact O-N 2.85Å; D1495-S1497 PolarHBondContact O-N 3.43Å |
| 1496 | I | 57.8 | Low | 68 | Low | 55 Ų | 55 | 76.9 Ų | 76.9 | 28% | 0.282 | 40% | 0.404 | S | S | . | . | trans | -82.8 | 119.1 | -173.3 | -58 | -161.5 | 0 | 0 | 0 | 112.8 | S1490 Y1500 | S1490-I1496 VanDerWaalsContact C-CD1 3.43Å; S1490-I1496 WeakPolarHBondContact O-CD1 3.23Å; S1490-I1496 WeakPolarHBondContact OG-CD1 3.26Å; I1496-Y1500 HydrophobicContact CG2-CD1 4.11Å | ||
| 1497 | S | 63 | Low | 68.2 | Low | 63 Ų | 63 | 73.3 Ų | 73.3 | 44% | 0.441 | 39% | 0.39 | S | S | . | . | trans | -67.6 | 138.1 | 176.6 | 68.4 | 0 | 0 | 0 | 0 | 112.6 | D1495 E1499 Y1500 L1501 | D1495-S1497 PolarHBondContact O-N 3.43Å; S1497-E1499 PolarHBondContact O-N 3.13Å; S1497-Y1500 PolarHBondContact O-N 3.47Å; S1497-Y1500 VanDerWaalsContact O-N 3.1Å; S1497-L1501 PolarHBondContact O-N 2.94Å | ||
| 1498 | I | 67.2 | Low | 68.6 | Low | 117 Ų | 117 | 73 Ų | 73 | 60% | 0.6 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -57.6 | -34.9 | 178.3 | -62 | 173.5 | 0 | 0 | 0 | 111 | Y1500 L1501 Q1502 I1583 | I1498-Y1500 PolarHBondContact O-N 3.35Å; I1498-L1501 PolarHBondContact O-N 3.48Å; I1498-Q1502 WeakPolarHBondContact O-CB 3.49Å; I1498-Q1502 PolarHBondContact O-N 3.35Å; I1498-I1583 HydrophobicContact CG2-CD1 3.94Å; I1498-I1583 HydrophobicContact CG2-CG1 4.43Å |
| 1499 | E | 66 | Low | 69.1 | Low | 149 Ų | 149 | 72.7 Ų | 72.7 | 70% | 0.696 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58 | -44.1 | 175.6 | -65 | 175.9 | 177.6 | 0 | 0 | 113.1 | S1497 Q1502 S1503 | S1497-E1499 PolarHBondContact O-N 3.13Å; E1499-Q1502 PolarHBondContact O-N 2.96Å; E1499-S1503 WeakPolarHBondContact O-CB 3.45Å; E1499-S1503 PolarHBondContact O-N 3.11Å |
| 1500 | Y | 70.1 | Confident | 69.4 | Low | 124 Ų | 124 | 72.8 Ų | 72.8 | 49% | 0.486 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 178.3 | 176.7 | -105 | 0 | 0 | 0 | 110.7 | I1496 S1497 I1498 Q1502 S1503 R1504 | I1496-Y1500 HydrophobicContact CG2-CD1 4.11Å; S1497-Y1500 PolarHBondContact O-N 3.47Å; S1497-Y1500 VanDerWaalsContact O-N 3.1Å; I1498-Y1500 PolarHBondContact O-N 3.35Å; Y1500-Q1502 PolarHBondContact O-N 3.49Å; Y1500-S1503 PolarHBondContact O-N 3.24Å; Y1500-R1504 VanDerWaalsContact O-CB 3.24Å; Y1500-R1504 WeakPolarHBondContact O-CB 3.45Å; Y1500-R1504 PolarHBondContact O-N 3.2Å |
| 1501 | L | 73.1 | Confident | 70.2 | Confident | 12 Ų | 12 | 71.5 Ų | 71.5 | 6% | 0.063 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 178.5 | -142 | 168.7 | 0 | 0 | 0 | 111.1 | V1487 S1497 I1498 R1504 L1505 P1581 I1583 | V1487-L1501 HydrophobicContact CG1-CD1 4.46Å; V1487-L1501 HydrophobicContact CG1-CD2 3.6Å; V1487-L1501 HydrophobicContact CG1-CG 3.86Å; S1497-L1501 PolarHBondContact O-N 2.94Å; I1498-L1501 PolarHBondContact O-N 3.48Å; L1501-R1504 PolarHBondContact O-N 2.97Å; L1501-L1505 HydrophobicContact CD2-CD1 3.52Å; L1501-L1505 HydrophobicContact CD2-CG 4.04Å; L1501-L1505 WeakPolarHBondContact O-CG 3.26Å; L1501-L1505 PolarHBondContact O-N 3.49Å; L1501-P1581 HydrophobicContact CD1-CG 4.02Å; L1501-I1583 HydrophobicContact CB-CD1 4.41Å; L1501-I1583 HydrophobicContact CD2-CD1 4.29Å |
| 1502 | Q | 79.6 | Confident | 71.5 | Confident | 86 Ų | 86 | 69.1 Ų | 69.1 | 40% | 0.402 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.6 | -44.7 | 176.9 | -175.4 | 170.5 | -14.2 | 0 | 0 | 112.7 | I1498 E1499 Y1500 R1504 T1506 I1583 | I1498-Q1502 WeakPolarHBondContact O-CB 3.49Å; I1498-Q1502 PolarHBondContact O-N 3.35Å; E1499-Q1502 PolarHBondContact O-N 2.96Å; Y1500-Q1502 PolarHBondContact O-N 3.49Å; Q1502-R1504 VanDerWaalsContact C-N 3.31Å; Q1502-R1504 PolarHBondContact O-N 3.44Å; Q1502-T1506 VanDerWaalsContact O-CB 3.3Å; Q1502-T1506 WeakPolarHBondContact O-CB 3.32Å; Q1502-T1506 PolarHBondContact O-N 3.37Å; Q1502-T1506 PolarHBondContact O-OG1 3.37Å; Q1502-I1583 HydrophobicContact CB-CG2 4.13Å; Q1502-I1583 HydrophobicContact CG-CG2 4.01Å |
| 1503 | S | 77.1 | Confident | 72.7 | Confident | 62 Ų | 62 | 62.5 Ų | 62.5 | 43% | 0.434 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -55.1 | -49.3 | 173.2 | -180 | 0 | 0 | 0 | 0 | 110.7 | E1499 Y1500 L1505 T1506 S1507 | E1499-S1503 WeakPolarHBondContact O-CB 3.45Å; E1499-S1503 PolarHBondContact O-N 3.11Å; Y1500-S1503 PolarHBondContact O-N 3.24Å; S1503-L1505 PolarHBondContact O-N 3.06Å; S1503-T1506 PolarHBondContact O-N 2.89Å; S1503-S1507 PolarHBondContact O-N 3.23Å |
| 1504 | R | 77.6 | Confident | 74 | Confident | 17 Ų | 17 | 63 Ų | 63 | 6% | 0.064 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.7 | -49.3 | -176.8 | -165.5 | 58.1 | 163.1 | 144.3 | 4.9 | 112.2 | P1424 L1425 D1427 N1430 V1487 Y1500 L1501 Q1502 S1507 L1508 | P1424-R1504 PolarHBondContact O-NH2 2.91Å; L1425-R1504 PolarHBondContact O-NH1 3.27Å; L1425-R1504 PolarHBondContact O-NH2 2.92Å; D1427-R1504 WeakPolarHBondContact OD1-CD 3.37Å; D1427-R1504 IonicContact OD1-CZ 3.6Å; D1427-R1504 IonicContact OD1-NE 3.45Å; D1427-R1504 IonicContact OD1-NH1 2.69Å; D1427-R1504 PolarHBondContact OD1-NH1 3.31Å; N1430-R1504 PolarHBondContact ND2-NH1 2.95Å; V1487-R1504 HydrophobicContact CG2-CG 4.06Å; Y1500-R1504 VanDerWaalsContact O-CB 3.24Å; Y1500-R1504 WeakPolarHBondContact O-CB 3.45Å; Y1500-R1504 PolarHBondContact O-N 3.2Å; L1501-R1504 PolarHBondContact O-N 2.97Å; Q1502-R1504 VanDerWaalsContact C-N 3.31Å; Q1502-R1504 PolarHBondContact O-N 3.44Å; R1504-S1507 PolarHBondContact O-N 2.93Å; R1504-S1507 PolarHBondContact O-OG 3.41Å; R1504-L1508 PolarHBondContact O-N 3.01Å |
| 1505 | L | 80.1 | Confident | 75.7 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.8 | -36.1 | 176.7 | -72 | 173 | 0 | 0 | 0 | 112.6 | L1484 L1501 S1503 L1508 H1509 L1580 S1585 T1586 L1589 | L1484-L1505 HydrophobicContact CD2-CD2 4.04Å; L1501-L1505 HydrophobicContact CD2-CD1 3.52Å; L1501-L1505 HydrophobicContact CD2-CG 4.04Å; L1501-L1505 WeakPolarHBondContact O-CG 3.26Å; L1501-L1505 PolarHBondContact O-N 3.49Å; S1503-L1505 PolarHBondContact O-N 3.06Å; L1505-L1508 PolarHBondContact O-N 2.96Å; L1505-H1509 WeakPolarHBondContact O-CB 3.42Å; L1505-H1509 PolarHBondContact O-N 3.36Å; L1505-L1580 HydrophobicContact CD2-CD1 4.31Å; L1505-S1585 WeakPolarHBondContact CB-OG 3.34Å; L1505-T1586 WeakPolarHBondContact CD1-OG1 3.26Å; L1505-L1589 HydrophobicContact CD2-CD2 4.11Å |
| 1506 | T | 81.3 | Confident | 77.3 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 32% | 0.319 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.1 | -39.8 | 177.5 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | Q1502 S1503 L1508 H1509 N1510 | Q1502-T1506 VanDerWaalsContact O-CB 3.3Å; Q1502-T1506 WeakPolarHBondContact O-CB 3.32Å; Q1502-T1506 PolarHBondContact O-N 3.37Å; Q1502-T1506 PolarHBondContact O-OG1 3.37Å; S1503-T1506 PolarHBondContact O-N 2.89Å; T1506-L1508 VanDerWaalsContact C-N 3.34Å; T1506-L1508 PolarHBondContact O-N 3.34Å; T1506-H1509 PolarHBondContact O-N 3.46Å; T1506-N1510 PolarHBondContact O-N 3.26Å; T1506-N1510 PolarHBondContact O-ND2 3.23Å |
| 1507 | S | 79.7 | Confident | 78.4 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 8% | 0.077 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 172.4 | 82.4 | 0 | 0 | 0 | 0 | 111.5 | D1427 N1430 S1503 R1504 H1509 N1510 V1511 | D1427-S1507 PolarHBondContact OD1-OG 2.97Å; N1430-S1507 PolarHBondContact ND2-OG 2.86Å; S1503-S1507 PolarHBondContact O-N 3.23Å; R1504-S1507 PolarHBondContact O-N 2.93Å; R1504-S1507 PolarHBondContact O-OG 3.41Å; S1507-H1509 PolarHBondContact O-N 3.49Å; S1507-N1510 PolarHBondContact O-N 3.33Å; S1507-V1511 VanDerWaalsContact O-CG2 3.28Å; S1507-V1511 WeakPolarHBondContact O-CG2 3.34Å; S1507-V1511 PolarHBondContact O-N 3.38Å; S1507-V1511 VanDerWaalsContact O-N 3.15Å |
| 1508 | L | 82.8 | Confident | 79.4 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.6 | -38 | -178.4 | -160.1 | 67.4 | 0 | 0 | 0 | 111.8 | W1476 T1480 C1483 L1484 R1504 L1505 T1506 T1512 L1589 | W1476-L1508 HydrophobicContact CZ2-CD1 4.48Å; T1480-L1508 HydrophobicContact CG2-CD1 4.37Å; T1480-L1508 HydrophobicContact CG2-CD2 4.08Å; T1480-L1508 HydrophobicContact CG2-CG 4.27Å; C1483-L1508 HydrophobicContact CB-CD2 4.48Å; L1484-L1508 HydrophobicContact CD2-CD2 4.21Å; L1484-L1508 HydrophobicContact CG-CD2 4.25Å; R1504-L1508 PolarHBondContact O-N 3.01Å; L1505-L1508 PolarHBondContact O-N 2.96Å; T1506-L1508 VanDerWaalsContact C-N 3.34Å; T1506-L1508 PolarHBondContact O-N 3.34Å; L1508-T1512 WeakPolarHBondContact O-CB 3.5Å; L1508-T1512 VanDerWaalsContact O-CG2 3.32Å; L1508-T1512 WeakPolarHBondContact O-CG2 3.31Å; L1508-T1512 PolarHBondContact O-N 2.97Å; L1508-T1512 PolarHBondContact O-OG1 3.42Å; L1508-L1589 HydrophobicContact CD2-CD2 3.88Å; L1508-L1589 HydrophobicContact CG-CD2 4.34Å |
| 1509 | H | 85.3 | Confident | 80.1 | Confident | 25 Ų | 25 | 39.2 Ų | 39.2 | 12% | 0.116 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60 | -53.8 | 170.6 | 171.1 | 88 | 0 | 0 | 0 | 111.9 | L1505 T1506 S1507 V1511 T1512 C1513 D1588 L1589 Q1592 | L1505-H1509 WeakPolarHBondContact O-CB 3.42Å; L1505-H1509 PolarHBondContact O-N 3.36Å; T1506-H1509 PolarHBondContact O-N 3.46Å; S1507-H1509 PolarHBondContact O-N 3.49Å; H1509-V1511 PolarHBondContact O-N 3.13Å; H1509-V1511 VanDerWaalsContact O-N 3.17Å; H1509-T1512 WeakPolarHBondContact CA-OG1 2.96Å; H1509-T1512 PolarHBondContact O-N 3.4Å; H1509-T1512 PolarHBondContact O-OG1 3.09Å; H1509-T1512 VanDerWaalsContact O-OG1 3.05Å; H1509-C1513 WeakPolarHBondContact O-CB 3.49Å; H1509-C1513 PolarHBondContact O-N 3.19Å; H1509-D1588 PolarHBondContact CE1-O 3.48Å; H1509-D1588 VanDerWaalsContact CE1-O 3.24Å; H1509-D1588 PolarHBondContact ND1-O 2.9Å; H1509-L1589 HydrophobicContact CB-CB 4.36Å; H1509-L1589 PolarHBondContact ND1-N 2.94Å; H1509-Q1592 VanDerWaalsContact CE1-CG 3.42Å; H1509-Q1592 WeakPolarHBondContact CE1-CG 3.23Å; H1509-Q1592 WeakPolarHBondContact ND1-CG 3.35Å |
| 1510 | N | 80.4 | Confident | 80.7 | Confident | 73 Ų | 73 | 34.4 Ų | 34.4 | 39% | 0.39 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -57.7 | -34.9 | -177.3 | -76.9 | -22.5 | 0 | 0 | 0 | 112.4 | T1506 S1507 C1513 R1514 | T1506-N1510 PolarHBondContact O-N 3.26Å; T1506-N1510 PolarHBondContact O-ND2 3.23Å; S1507-N1510 PolarHBondContact O-N 3.33Å; N1510-C1513 WeakPolarHBondContact O-CB 3.24Å; N1510-R1514 WeakPolarHBondContact O-CD 3.4Å; N1510-R1514 WeakPolarHBondContact O-CG 3.28Å |
| 1511 | V | 82.5 | Confident | 80.9 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -84.3 | -41.6 | -178 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | N1430 C1433 W1476 S1507 H1509 C1513 R1514 W1515 | N1430-V1511 VanDerWaalsContact C-CG2 3.48Å; N1430-V1511 HydrophobicContact CB-CG2 4.13Å; N1430-V1511 WeakPolarHBondContact O-CG1 3.32Å; N1430-V1511 WeakPolarHBondContact O-CG2 3.29Å; C1433-V1511 HydrophobicContact CB-CG1 4.37Å; W1476-V1511 HydrophobicContact CH2-CB 4.33Å; W1476-V1511 HydrophobicContact CH2-CG1 3.45Å; W1476-V1511 VanDerWaalsContact CH2-CG1 3.45Å; W1476-V1511 HydrophobicContact CZ2-CB 4.15Å; W1476-V1511 HydrophobicContact CZ2-CG1 3.44Å; W1476-V1511 VanDerWaalsContact CZ2-CG1 3.44Å; W1476-V1511 HydrophobicContact CZ3-CG1 4.27Å; S1507-V1511 VanDerWaalsContact O-CG2 3.28Å; S1507-V1511 WeakPolarHBondContact O-CG2 3.34Å; S1507-V1511 PolarHBondContact O-N 3.38Å; S1507-V1511 VanDerWaalsContact O-N 3.15Å; H1509-V1511 PolarHBondContact O-N 3.13Å; H1509-V1511 VanDerWaalsContact O-N 3.17Å; V1511-C1513 VanDerWaalsContact C-N 3.26Å; V1511-C1513 PolarHBondContact O-N 3.24Å; V1511-R1514 PolarHBondContact O-N 3.3Å; V1511-W1515 PolarHBondContact O-N 3.26Å |
| 1512 | T | 83 | Confident | 81 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.8 | -33.5 | 172.8 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | W1476 T1480 L1508 H1509 R1514 W1515 K1516 L1589 | W1476-T1512 HydrophobicContact CZ2-CG2 4.38Å; T1480-T1512 HydrophobicContact CG2-CG2 4.22Å; L1508-T1512 WeakPolarHBondContact O-CB 3.5Å; L1508-T1512 VanDerWaalsContact O-CG2 3.32Å; L1508-T1512 WeakPolarHBondContact O-CG2 3.31Å; L1508-T1512 PolarHBondContact O-N 2.97Å; L1508-T1512 PolarHBondContact O-OG1 3.42Å; H1509-T1512 WeakPolarHBondContact CA-OG1 2.96Å; H1509-T1512 PolarHBondContact O-N 3.4Å; H1509-T1512 PolarHBondContact O-OG1 3.09Å; H1509-T1512 VanDerWaalsContact O-OG1 3.05Å; T1512-R1514 PolarHBondContact O-N 3Å; T1512-W1515 PolarHBondContact O-N 2.73Å; T1512-K1516 WeakPolarHBondContact O-CB 3.32Å; T1512-K1516 PolarHBondContact O-N 3.42Å; T1512-L1589 HydrophobicContact CG2-CD1 4.2Å; T1512-L1589 WeakPolarHBondContact OG1-CD1 3.37Å |
| 1513 | C | 83.1 | Confident | 80.7 | Confident | 34 Ų | 34 | 27.6 Ų | 27.6 | 23% | 0.23 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -52.4 | -48.5 | 167.1 | -106.8 | 0 | 0 | 0 | 0 | 112.6 | H1509 N1510 V1511 K1516 C1517 Q1592 | H1509-C1513 WeakPolarHBondContact O-CB 3.49Å; H1509-C1513 PolarHBondContact O-N 3.19Å; N1510-C1513 WeakPolarHBondContact O-CB 3.24Å; V1511-C1513 VanDerWaalsContact C-N 3.26Å; V1511-C1513 PolarHBondContact O-N 3.24Å; C1513-K1516 WeakPolarHBondContact O-CB 3.42Å; C1513-K1516 PolarHBondContact O-N 3.07Å; C1513-C1517 PolarHBondContact O-N 2.8Å; C1513-C1517 PolarHBondContact O-SG 3.25Å; C1513-C1517 VanDerWaalsContact O-SG 3.39Å; C1513-Q1592 PolarHBondContact SG-OE1 3.41Å; C1513-Q1592 VanDerWaalsContact SG-OE1 3.39Å |
| 1514 | R | 82.7 | Confident | 80.1 | Confident | 71 Ų | 71 | 27 Ų | 27 | 27% | 0.268 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -70.5 | -42.4 | -178 | -62.6 | 161.9 | 177.6 | -133.2 | 15.7 | 111.8 | G1434 D1435 V1437 S1438 N1510 V1511 T1512 K1516 C1517 L1518 | G1434-R1514 WeakPolarHBondContact O-CD 3.46Å; G1434-R1514 PolarHBondContact O-NH1 3.45Å; D1435-R1514 IonicContact OD1-CZ 3.23Å; D1435-R1514 IonicContact OD1-NH1 3.19Å; D1435-R1514 PolarHBondContact OD1-NH1 3.4Å; D1435-R1514 IonicContact OD1-NH2 2.69Å; V1437-R1514 HydrophobicContact CG1-CB 4.31Å; V1437-R1514 WeakPolarHBondContact CG1-O 3.48Å; S1438-R1514 WeakPolarHBondContact OG-CD 3.38Å; S1438-R1514 PolarHBondContact OG-NH1 2.87Å; S1438-R1514 VanDerWaalsContact OG-NH1 3.08Å; N1510-R1514 WeakPolarHBondContact O-CD 3.4Å; N1510-R1514 WeakPolarHBondContact O-CG 3.28Å; V1511-R1514 PolarHBondContact O-N 3.3Å; T1512-R1514 PolarHBondContact O-N 3Å; R1514-K1516 VanDerWaalsContact C-N 3.33Å; R1514-K1516 PolarHBondContact O-N 2.98Å; R1514-C1517 WeakPolarHBondContact O-CB 3.26Å; R1514-C1517 PolarHBondContact O-N 3.45Å; R1514-L1518 PolarHBondContact O-N 2.8Å |
| 1515 | W | 86.4 | Confident | 79 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -38.2 | 172.8 | -81.9 | 91 | 0 | 0 | 0 | 112.7 | F1411 L1415 V1437 F1467 Y1473 W1476 V1511 T1512 C1517 L1518 L1519 | F1411-W1515 HydrophobicContact CZ-CH2 4.34Å; F1411-W1515 HydrophobicContact CZ-CZ2 4.03Å; L1415-W1515 HydrophobicContact CD1-CH2 4.46Å; V1437-W1515 HydrophobicContact CG1-CD2 4.37Å; V1437-W1515 HydrophobicContact CG1-CG 4.19Å; V1437-W1515 HydrophobicContact CG2-CD2 3.99Å; V1437-W1515 HydrophobicContact CG2-CE3 4.47Å; V1437-W1515 HydrophobicContact CG2-CG 4.45Å; V1437-W1515 HydrophobicContact CG2-CH2 4.39Å; V1437-W1515 HydrophobicContact CG2-CZ2 3.89Å; F1467-W1515 HydrophobicContact CD1-CZ3 4.39Å; F1467-W1515 AromaticContact CE1-CH2 3.86Å; F1467-W1515 HydrophobicContact CE1-CH2 3.86Å; F1467-W1515 AromaticContact CE1-CZ3 3.81Å; F1467-W1515 HydrophobicContact CE1-CZ3 3.81Å; Y1473-W1515 AromaticContact CD1-CE3 3.77Å; Y1473-W1515 HydrophobicContact CD1-CE3 3.77Å; Y1473-W1515 AromaticContact CD1-CZ3 3.86Å; Y1473-W1515 HydrophobicContact CD1-CZ3 3.86Å; Y1473-W1515 HydrophobicContact CE1-CE3 4.09Å; Y1473-W1515 HydrophobicContact CE1-CZ3 4.18Å; Y1473-W1515 HydrophobicContact CG-CZ3 4.43Å; W1476-W1515 HydrophobicContact CB-CD2 4.02Å; W1476-W1515 HydrophobicContact CB-CE3 4.03Å; W1476-W1515 HydrophobicContact CB-CH2 3.83Å; W1476-W1515 HydrophobicContact CB-CZ2 3.82Å; W1476-W1515 HydrophobicContact CB-CZ3 3.94Å; W1476-W1515 AromaticContact CD1-CD1 3.93Å; W1476-W1515 AromaticContact CD1-CD2 3.82Å; W1476-W1515 AromaticContact CD1-CG 3.71Å; W1476-W1515 AromaticContact CD2-CD1 3.71Å; W1476-W1515 HydrophobicContact CD2-CD2 4.02Å; W1476-W1515 AromaticContact CD2-CE2 3.47Å; W1476-W1515 VanDerWaalsContact CD2-CE2 3.47Å; W1476-W1515 HydrophobicContact CD2-CG 4.15Å; W1476-W1515 AromaticContact CD2-CZ2 3.92Å; W1476-W1515 HydrophobicContact CD2-CZ2 3.92Å; W1476-W1515 AromaticContact CD2-NE1 3.26Å; W1476-W1515 VanDerWaalsContact CD2-NE1 3.26Å; W1476-W1515 AromaticContact CE2-CD1 3.57Å; W1476-W1515 AromaticContact CE2-NE1 3.57Å; W1476-W1515 AromaticContact CE3-CE2 3.71Å; W1476-W1515 AromaticContact CE3-CZ2 3.82Å; W1476-W1515 HydrophobicContact CE3-CZ2 3.82Å; W1476-W1515 AromaticContact CE3-NE1 3.46Å; W1476-W1515 AromaticContact CG-CD2 3.62Å; W1476-W1515 HydrophobicContact CG-CD2 3.62Å; W1476-W1515 AromaticContact CG-CE2 3.49Å; W1476-W1515 VanDerWaalsContact CG-CE2 3.49Å; W1476-W1515 HydrophobicContact CG-CE3 4.11Å; W1476-W1515 AromaticContact CG-CG 3.94Å; W1476-W1515 HydrophobicContact CG-CG 3.94Å; W1476-W1515 HydrophobicContact CG-CH2 4.35Å; W1476-W1515 AromaticContact CG-CZ2 3.89Å; W1476-W1515 HydrophobicContact CG-CZ2 3.89Å; W1476-W1515 HydrophobicContact CG-CZ3 4.45Å; W1476-W1515 AromaticContact CG-NE1 3.74Å; W1476-W1515 AromaticContact CZ3-NE1 3.93Å; W1476-W1515 AromaticContact NE1-CD1 3.66Å; W1476-W1515 AromaticContact NE1-CG 3.82Å; V1511-W1515 PolarHBondContact O-N 3.26Å; T1512-W1515 PolarHBondContact O-N 2.73Å; W1515-C1517 PolarHBondContact O-N 2.63Å; W1515-L1518 PolarHBondContact O-N 2.93Å; W1515-L1519 WeakPolarHBondContact O-CB 3.48Å; W1515-L1519 PolarHBondContact O-N 2.81Å |
| 1516 | K | 84.4 | Confident | 77.4 | Confident | 33 Ų | 33 | 31.1 Ų | 31.1 | 14% | 0.143 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.9 | -47.3 | 172.3 | 179.8 | 177.4 | 89.5 | 179.6 | 0 | 111.4 | T1512 C1513 R1514 L1518 L1519 L1520 T1595 I1596 | T1512-K1516 WeakPolarHBondContact O-CB 3.32Å; T1512-K1516 PolarHBondContact O-N 3.42Å; C1513-K1516 WeakPolarHBondContact O-CB 3.42Å; C1513-K1516 PolarHBondContact O-N 3.07Å; R1514-K1516 VanDerWaalsContact C-N 3.33Å; R1514-K1516 PolarHBondContact O-N 2.98Å; K1516-L1518 VanDerWaalsContact C-N 3.34Å; K1516-L1518 PolarHBondContact O-N 2.79Å; K1516-L1519 PolarHBondContact O-N 3.47Å; K1516-L1520 HydrophobicContact CD-CD1 4.24Å; K1516-L1520 HydrophobicContact CG-CD1 3.71Å; K1516-L1520 HydrophobicContact CG-CG 4.06Å; K1516-L1520 WeakPolarHBondContact O-CB 3.46Å; K1516-L1520 VanDerWaalsContact O-CG 3.29Å; K1516-L1520 WeakPolarHBondContact O-CG 3.24Å; K1516-L1520 PolarHBondContact O-N 2.94Å; K1516-T1595 VanDerWaalsContact CD-OG1 3.25Å; K1516-T1595 WeakPolarHBondContact CD-OG1 3.42Å; K1516-T1595 PolarHBondContact NZ-OG1 3.35Å; K1516-I1596 HydrophobicContact CB-CD1 3.94Å; K1516-I1596 HydrophobicContact CB-CG1 3.81Å; K1516-I1596 HydrophobicContact CD-CD1 4.3Å; K1516-I1596 HydrophobicContact CD-CG1 3.56Å; K1516-I1596 HydrophobicContact CG-CD1 4.27Å; K1516-I1596 HydrophobicContact CG-CG1 3.57Å |
| 1517 | C | 81.6 | Confident | 75.8 | Confident | 65 Ų | 65 | 33.6 Ų | 33.6 | 44% | 0.439 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.8 | -43.5 | 179.2 | -67.3 | 0 | 0 | 0 | 0 | 112.3 | C1513 R1514 W1515 L1521 | C1513-C1517 PolarHBondContact O-N 2.8Å; C1513-C1517 PolarHBondContact O-SG 3.25Å; C1513-C1517 VanDerWaalsContact O-SG 3.39Å; R1514-C1517 WeakPolarHBondContact O-CB 3.26Å; R1514-C1517 PolarHBondContact O-N 3.45Å; W1515-C1517 PolarHBondContact O-N 2.63Å; C1517-L1521 VanDerWaalsContact O-CG 3.31Å; C1517-L1521 WeakPolarHBondContact O-CG 3.47Å; C1517-L1521 PolarHBondContact O-N 3.04Å; C1517-L1521 VanDerWaalsContact O-N 3.14Å |
| 1518 | L | 83.3 | Confident | 74 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 175.7 | -174.8 | 63.6 | 0 | 0 | 0 | 112.4 | V1437 L1440 A1441 L1444 M1464 F1467 Y1473 R1514 W1515 K1516 N1522 | V1437-L1518 HydrophobicContact CG1-CB 3.95Å; V1437-L1518 HydrophobicContact CG1-CD2 4.01Å; L1440-L1518 HydrophobicContact CB-CD1 4.26Å; L1440-L1518 HydrophobicContact CB-CD2 4.47Å; A1441-L1518 HydrophobicContact CB-CB 4.13Å; A1441-L1518 HydrophobicContact CB-CD1 4.06Å; L1444-L1518 HydrophobicContact CD1-CD1 4.09Å; M1464-L1518 HydrophobicContact CE-CD1 4.18Å; F1467-L1518 HydrophobicContact CE1-CD2 4.12Å; Y1473-L1518 HydrophobicContact CE1-CD2 4Å; Y1473-L1518 HydrophobicContact CE1-CG 4.11Å; Y1473-L1518 WeakPolarHBondContact OH-CD2 3.27Å; Y1473-L1518 WeakPolarHBondContact OH-CG 3.29Å; R1514-L1518 PolarHBondContact O-N 2.8Å; W1515-L1518 PolarHBondContact O-N 2.93Å; K1516-L1518 VanDerWaalsContact C-N 3.34Å; K1516-L1518 PolarHBondContact O-N 2.79Å; L1518-N1522 PolarHBondContact O-N 2.95Å; L1518-N1522 PolarHBondContact O-ND2 3.2Å |
| 1519 | L | 81.8 | Confident | 72 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -46 | 177.9 | -174 | 70.3 | 0 | 0 | 0 | 111.8 | Y1473 W1515 K1516 L1521 N1522 Y1523 F1559 I1566 I1596 | Y1473-L1519 HydrophobicContact CD1-CB 4.45Å; Y1473-L1519 HydrophobicContact CD1-CD1 3.92Å; Y1473-L1519 HydrophobicContact CE1-CB 4.46Å; Y1473-L1519 HydrophobicContact CE1-CD1 4.33Å; Y1473-L1519 HydrophobicContact CG-CD1 4.13Å; W1515-L1519 WeakPolarHBondContact O-CB 3.48Å; W1515-L1519 PolarHBondContact O-N 2.81Å; K1516-L1519 PolarHBondContact O-N 3.47Å; L1519-L1521 VanDerWaalsContact C-N 3.35Å; L1519-L1521 PolarHBondContact O-N 2.82Å; L1519-N1522 PolarHBondContact O-N 3.37Å; L1519-Y1523 HydrophobicContact CD1-CE1 4Å; L1519-Y1523 HydrophobicContact CD2-CE2 4.24Å; L1519-Y1523 HydrophobicContact CG-CE1 4.12Å; L1519-Y1523 HydrophobicContact CG-CE2 4.07Å; L1519-Y1523 PolarHBondContact O-N 2.79Å; L1519-Y1523 VanDerWaalsContact O-N 3.12Å; L1519-F1559 HydrophobicContact CD1-CZ 4.44Å; L1519-I1566 HydrophobicContact CD1-CD1 4.49Å; L1519-I1596 HydrophobicContact CD2-CG2 4Å |
| 1520 | L | 78.6 | Confident | 70 | Confident | 47 Ų | 47 | 48.7 Ų | 48.7 | 25% | 0.246 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 179 | -70.8 | 175.6 | 0 | 0 | 0 | 112.7 | K1516 N1522 Y1523 N1524 T1599 | K1516-L1520 HydrophobicContact CD-CD1 4.24Å; K1516-L1520 HydrophobicContact CG-CD1 3.71Å; K1516-L1520 HydrophobicContact CG-CG 4.06Å; K1516-L1520 WeakPolarHBondContact O-CB 3.46Å; K1516-L1520 VanDerWaalsContact O-CG 3.29Å; K1516-L1520 WeakPolarHBondContact O-CG 3.24Å; K1516-L1520 PolarHBondContact O-N 2.94Å; L1520-N1522 VanDerWaalsContact C-N 3.29Å; L1520-N1522 PolarHBondContact O-N 2.41Å; L1520-Y1523 HydrophobicContact CD2-CD2 4.19Å; L1520-Y1523 PolarHBondContact O-N 2.96Å; L1520-N1524 VanDerWaalsContact O-CG 3.22Å; L1520-N1524 PolarHBondContact O-N 3.5Å; L1520-N1524 PolarHBondContact O-ND2 3.04Å; L1520-T1599 HydrophobicContact CD2-CG2 3.82Å; L1520-T1599 WeakPolarHBondContact CD2-OG1 3.37Å |
| 1521 | L | 73.9 | Confident | 68.3 | Low | 35 Ų | 35 | 50.8 Ų | 50.8 | 18% | 0.183 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62 | -37.7 | 175.3 | -72.9 | 167.2 | 0 | 0 | 0 | 111.8 | A1441 Y1445 C1517 L1519 N1524 | A1441-L1521 HydrophobicContact CB-CD1 3.98Å; A1441-L1521 VanDerWaalsContact O-CD1 3.26Å; A1441-L1521 WeakPolarHBondContact O-CD1 3.47Å; Y1445-L1521 HydrophobicContact CD2-CD2 4.01Å; C1517-L1521 VanDerWaalsContact O-CG 3.31Å; C1517-L1521 WeakPolarHBondContact O-CG 3.47Å; C1517-L1521 PolarHBondContact O-N 3.04Å; C1517-L1521 VanDerWaalsContact O-N 3.14Å; L1519-L1521 VanDerWaalsContact C-N 3.35Å; L1519-L1521 PolarHBondContact O-N 2.82Å; L1521-N1524 PolarHBondContact O-N 3.49Å |
| 1522 | N | 75.8 | Confident | 66.5 | Low | 31 Ų | 31 | 56.6 Ų | 56.6 | 17% | 0.166 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.4 | -30.1 | 175.6 | -68.2 | -41.8 | 0 | 0 | 0 | 113.3 | L1444 Y1473 L1518 L1519 L1520 N1524 F1559 | L1444-N1522 WeakPolarHBondContact CD1-OD1 3.22Å; Y1473-N1522 PolarHBondContact OH-ND2 3.29Å; L1518-N1522 PolarHBondContact O-N 2.95Å; L1518-N1522 PolarHBondContact O-ND2 3.2Å; L1519-N1522 PolarHBondContact O-N 3.37Å; L1520-N1522 VanDerWaalsContact C-N 3.29Å; L1520-N1522 PolarHBondContact O-N 2.41Å; N1522-N1524 PolarHBondContact O-N 2.21Å; N1522-F1559 HydrophobicContact CB-CE1 4.23Å; N1522-F1559 HydrophobicContact CB-CE2 4.22Å; N1522-F1559 HydrophobicContact CB-CZ 3.66Å |
| 1523 | Y | 73.4 | Confident | 64.6 | Low | 13 Ų | 13 | 61.7 Ų | 61.7 | 5% | 0.051 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.9 | -17.3 | 170.9 | -66.9 | -12.4 | 0 | 0 | 0 | 113.3 | L1519 L1520 F1559 P1563 T1600 Y1603 | L1519-Y1523 HydrophobicContact CD1-CE1 4Å; L1519-Y1523 HydrophobicContact CD2-CE2 4.24Å; L1519-Y1523 HydrophobicContact CG-CE1 4.12Å; L1519-Y1523 HydrophobicContact CG-CE2 4.07Å; L1519-Y1523 PolarHBondContact O-N 2.79Å; L1519-Y1523 VanDerWaalsContact O-N 3.12Å; L1520-Y1523 HydrophobicContact CD2-CD2 4.19Å; L1520-Y1523 PolarHBondContact O-N 2.96Å; Y1523-F1559 AromaticContact CD1-CE1 3.9Å; Y1523-F1559 HydrophobicContact CD1-CE1 3.9Å; Y1523-F1559 HydrophobicContact CD1-CZ 4.3Å; Y1523-F1559 AromaticContact CE1-CE1 3.94Å; Y1523-F1559 HydrophobicContact CE1-CE1 3.94Å; Y1523-F1559 HydrophobicContact CE1-CZ 4.18Å; Y1523-P1563 HydrophobicContact CE1-CG 3.89Å; Y1523-T1600 WeakPolarHBondContact OH-CG2 3.29Å; Y1523-T1600 PolarHBondContact OH-OG1 3.2Å; Y1523-Y1603 HydrophobicContact CD1-CD1 4.09Å; Y1523-Y1603 HydrophobicContact CD1-CD2 4.03Å; Y1523-Y1603 HydrophobicContact CD1-CE1 4.37Å; Y1523-Y1603 HydrophobicContact CD1-CE2 4.32Å; Y1523-Y1603 AromaticContact CD1-CG 3.92Å; Y1523-Y1603 HydrophobicContact CD1-CG 3.92Å; Y1523-Y1603 HydrophobicContact CE1-CD1 4.12Å; Y1523-Y1603 HydrophobicContact CE1-CG 4.26Å; Y1523-Y1603 HydrophobicContact CG-CD2 4.01Å; Y1523-Y1603 HydrophobicContact CG-CG 4.06Å |
| 1524 | N | 63.9 | Low | 62.8 | Low | 49 Ų | 49 | 63.5 Ų | 63.5 | 26% | 0.262 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -9.1 | -173.5 | -70.5 | -17 | 0 | 0 | 0 | 114.9 | L1520 L1521 N1522 D1526 Y1866 | L1520-N1524 VanDerWaalsContact O-CG 3.22Å; L1520-N1524 PolarHBondContact O-N 3.5Å; L1520-N1524 PolarHBondContact O-ND2 3.04Å; L1521-N1524 PolarHBondContact O-N 3.49Å; N1522-N1524 PolarHBondContact O-N 2.21Å; N1524-D1526 PolarHBondContact O-N 2.72Å; N1524-Y1866 HydrophobicContact CB-CE1 4.36Å; N1524-Y1866 VanDerWaalsContact CG-CE1 3.42Å; N1524-Y1866 WeakPolarHBondContact ND2-CE1 3.29Å; N1524-Y1866 WeakPolarHBondContact OD1-CE1 3.33Å |
| 1525 | D | 54.6 | Low | 61 | Low | 47 Ų | 47 | 63.8 Ų | 63.8 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 30.9 | -179.5 | -155.3 | 32.2 | 0 | 0 | 0 | 113.1 | R1552 K1556 | D1525-R1552 IonicContact OD2-CZ 3.27Å; D1525-R1552 IonicContact OD2-NH1 2.7Å; D1525-R1552 PolarHBondContact OD2-NH1 3.25Å; D1525-R1552 IonicContact OD2-NH2 3.74Å; D1525-K1556 PolarHBondContact O-NZ 3.2Å |
| 1526 | D | 47.8 | Very low | 58.8 | Low | 58 Ų | 58 | 72.6 Ų | 72.6 | 31% | 0.31 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | -9.4 | 179.5 | -90 | 2 | 0 | 0 | 0 | 113 | N1524 V1528 K1556 K1606 | N1524-D1526 PolarHBondContact O-N 2.72Å; D1526-V1528 PolarHBondContact O-N 3.5Å; D1526-K1556 IonicContact OD1-NZ 3.7Å; D1526-K1556 PolarHBondContact OD1-NZ 2.86Å; D1526-K1606 IonicContact OD2-NZ 2.68Å; D1526-K1606 PolarHBondContact OD2-NZ 2.75Å |
| 1527 | N | 45.8 | Very low | 56.7 | Low | 105 Ų | 105 | 77.2 Ų | 77.2 | 56% | 0.561 | 42% | 0.421 | S | S | * | . | trans | -96.6 | 29.8 | -173.7 | -65 | -14.8 | 0 | 0 | 0 | 113.3 | Y1866 | N1527-Y1866 PolarHBondContact ND2-OH 3.19Š| ||
| 1528 | V | 43.5 | Very low | 54.7 | Low | 116 Ų | 116 | 79.8 Ų | 79.8 | 70% | 0.703 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -93.7 | 103.6 | 166.8 | -179.9 | 0 | 0 | 0 | 0 | 107.2 | D1526 D1530 | D1526-V1528 PolarHBondContact O-N 3.5Å; V1528-D1530 PolarHBondContact O-N 3.05Å |
| 1529 | D | 40.3 | Very low | 52.4 | Low | 119 Ų | 119 | 84.6 Ų | 84.6 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | trans | -59.7 | 116.6 | -177.5 | -62.5 | -51.7 | 0 | 0 | 0 | 111.7 | D1531 N1532 | D1529-D1531 PolarHBondContact O-N 3.13Å; D1529-D1531 VanDerWaalsContact O-N 3.09Å; D1529-N1532 PolarHBondContact O-N 3.05Å | ||
| 1530 | D | 43.4 | Very low | 50.2 | Low | 123 Ų | 123 | 92.2 Ų | 92.2 | 66% | 0.658 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -57.5 | -22.9 | 176.6 | -93 | -36.1 | 0 | 0 | 0 | 112.4 | V1528 N1532 P2074 | V1528-D1530 PolarHBondContact O-N 3.05Å; D1530-N1532 VanDerWaalsContact C-N 3.29Å; D1530-N1532 PolarHBondContact O-N 3.07Å; D1530-P2074 HydrophobicContact CB-CG 4.4Å |
| 1531 | D | 44.9 | Very low | 48.1 | Very low | 117 Ų | 117 | 94.8 Ų | 94.8 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -72.2 | -9.8 | -174.1 | -73.7 | -26.8 | 0 | 0 | 0 | 115.2 | D1529 P2074 | D1529-D1531 PolarHBondContact O-N 3.13Å; D1529-D1531 VanDerWaalsContact O-N 3.09Å; D1531-P2074 WeakPolarHBondContact OD1-CB 3.32Å |
| 1532 | N | 44 | Very low | 46.4 | Very low | 123 Ų | 123 | 99.4 Ų | 99.4 | 66% | 0.658 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -100.1 | -2.9 | -178.3 | -94.2 | -51.4 | 0 | 0 | 0 | 115.2 | D1529 D1530 | D1529-N1532 PolarHBondContact O-N 3.05Å; D1530-N1532 VanDerWaalsContact C-N 3.29Å; D1530-N1532 PolarHBondContact O-N 3.07Å |
| 1533 | L | 43.6 | Very low | 45 | Very low | 108 Ų | 108 | 102.6 Ų | 102.6 | 57% | 0.565 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -75.5 | -28.5 | -170.5 | -159.6 | 68 | 0 | 0 | 0 | 114.1 | A1535 | L1533-A1535 VanDerWaalsContact C-N 3.26Å; L1533-A1535 PolarHBondContact O-N 2.77Å |
| 1534 | D | 46 | Very low | 43.8 | Very low | 72 Ų | 72 | 107.4 Ų | 107.4 | 39% | 0.385 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -73.4 | -13.2 | -173.9 | -66.5 | -49.9 | 0 | 0 | 0 | 114.1 | G2076 | D1534-G2076 WeakPolarHBondContact OD2-CA 3.23Å; D1534-G2076 PolarHBondContact OD2-N 3.45Å |
| 1535 | A | 43.9 | Very low | 42.7 | Very low | 76 Ų | 76 | 112.9 Ų | 112.9 | 63% | 0.628 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -80.4 | -14.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1533 | L1533-A1535 VanDerWaalsContact C-N 3.26Å; L1533-A1535 PolarHBondContact O-N 2.77Å |
| 1536 | F | 40.8 | Very low | 42.4 | Very low | 187 Ų | 187 | 116.3 Ų | 116.3 | 82% | 0.82 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -115.6 | 2.8 | -169.5 | -111.4 | -81.7 | 0 | 0 | 0 | 115.6 | ||
| 1537 | L | 39.7 | Very low | 42.4 | Very low | 130 Ų | 130 | 120.7 Ų | 120.7 | 68% | 0.681 | 66% | 0.661 | S | S | * | * | trans | -96.4 | 13.7 | -173 | -73.5 | 170.2 | 0 | 0 | 0 | 115.2 | S1539 | L1537-S1539 PolarHBondContact O-N 3.04Š| ||
| 1538 | T | 38.7 | Very low | 42.2 | Very low | 118 Ų | 118 | 120 Ų | 120 | 72% | 0.724 | 66% | 0.657 | S | S | * | * | trans | -97.8 | 46.8 | 177.2 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1539 | S | 36.9 | Very low | 42.1 | Very low | 102 Ų | 102 | 120.1 Ų | 120.1 | 71% | 0.713 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -146.7 | 132.5 | 162.8 | 57.6 | 0 | 0 | 0 | 0 | 110.7 | L1537 | L1537-S1539 PolarHBondContact O-N 3.04Š|
| 1540 | D | 34.6 | Very low | 42.4 | Very low | 161 Ų | 161 | 119.8 Ų | 119.8 | 86% | 0.861 | 65% | 0.649 | S | S | * | * | trans | -70.3 | 159.2 | -174 | -80.6 | -62.8 | 0 | 0 | 0 | 114 | ||||
| 1541 | S | 33.7 | Very low | 42.6 | Very low | 101 Ų | 101 | 116.4 Ų | 116.4 | 71% | 0.706 | 64% | 0.635 | S | S | * | * | trans | 73.3 | 98 | 175.1 | 74.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1542 | N | 39.3 | Very low | 42.6 | Very low | 131 Ų | 131 | 115.5 Ų | 115.5 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | -180 | 111.2 | 116.5 | -98.2 | -66.3 | 0 | 0 | 0 | 111.6 | N1544 | N1542-N1544 PolarHBondContact O-N 3.05Å; N1542-N1544 VanDerWaalsContact O-N 3.13Å | |||
| 1543 | S | 46.1 | Very low | 42.8 | Very low | 98 Ų | 98 | 116.5 Ų | 116.5 | 69% | 0.685 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -16.8 | -177.2 | 48.2 | 0 | 0 | 0 | 0 | 115.3 | R1545 | S1543-R1545 PolarHBondContact O-N 2.98Š|
| 1544 | N | 47.4 | Very low | 43 | Very low | 115 Ų | 115 | 118.3 Ų | 118.3 | 62% | 0.615 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -11.5 | -166.6 | -63.8 | -2.2 | 0 | 0 | 0 | 114.2 | N1542 | N1542-N1544 PolarHBondContact O-N 3.05Å; N1542-N1544 VanDerWaalsContact O-N 3.13Å |
| 1545 | R | 42.6 | Very low | 43.3 | Very low | 164 Ų | 164 | 115.4 Ų | 115.4 | 62% | 0.619 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.4 | -34.8 | -179.2 | -113.5 | 178.4 | 178.4 | 171 | -1.2 | 113.4 | N1453 S1543 Q1547 L1548 | N1453-R1545 PolarHBondContact ND2-NH2 3.47Å; N1453-R1545 PolarHBondContact OD1-NH2 3.38Å; S1543-R1545 PolarHBondContact O-N 2.98Å; R1545-Q1547 VanDerWaalsContact C-N 3.35Å; R1545-Q1547 PolarHBondContact O-N 3.2Å; R1545-L1548 PolarHBondContact O-N 3.15Å |
| 1546 | N | 47.9 | Very low | 43.8 | Very low | 118 Ų | 118 | 115.9 Ų | 115.9 | 63% | 0.631 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.7 | -25.5 | -173.8 | -67.4 | 3.9 | 0 | 0 | 0 | 113.4 | N1550 | N1546-N1550 PolarHBondContact O-N 3.37Å |
| 1547 | Q | 46.3 | Very low | 44.5 | Very low | 150 Ų | 150 | 111.2 Ų | 111.2 | 70% | 0.701 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.6 | -36.8 | 175.2 | -72.3 | -177.3 | -20.5 | 0 | 0 | 112.2 | R1545 N1550 S1551 | R1545-Q1547 VanDerWaalsContact C-N 3.35Å; R1545-Q1547 PolarHBondContact O-N 3.2Å; Q1547-N1550 PolarHBondContact O-N 3.03Å; Q1547-S1551 PolarHBondContact O-N 3.44Å |
| 1548 | L | 42.4 | Very low | 45.3 | Very low | 91 Ų | 91 | 108.5 Ų | 108.5 | 48% | 0.476 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.8 | -30.3 | -178.8 | -151.4 | 82 | 0 | 0 | 0 | 113 | R1545 S1551 | R1545-L1548 PolarHBondContact O-N 3.15Å; L1548-S1551 PolarHBondContact O-OG 3.31Å |
| 1549 | M | 42 | Very low | 46.6 | Very low | 118 Ų | 118 | 103.5 Ų | 103.5 | 58% | 0.581 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.7 | -38.8 | 172.6 | -79.7 | -65.3 | -160.9 | 0 | 0 | 112.1 | R1552 K1553 | M1549-R1552 PolarHBondContact O-N 2.68Å; M1549-K1553 PolarHBondContact O-N 2.91Å |
| 1550 | N | 45.5 | Very low | 48 | Very low | 112 Ų | 112 | 99.5 Ų | 99.5 | 60% | 0.599 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.6 | -36 | -179.3 | -76.1 | -8 | 0 | 0 | 0 | 112.7 | N1546 Q1547 K1553 Q1554 | N1546-N1550 PolarHBondContact O-N 3.37Å; Q1547-N1550 PolarHBondContact O-N 3.03Å; N1550-K1553 PolarHBondContact O-N 3.03Å; N1550-Q1554 PolarHBondContact O-N 3.38Å |
| 1551 | S | 47.8 | Very low | 49.5 | Very low | 52 Ų | 52 | 93.6 Ų | 93.6 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 174.3 | 53.4 | 0 | 0 | 0 | 0 | 112.5 | Q1547 L1548 K1553 Q1554 S1555 | Q1547-S1551 PolarHBondContact O-N 3.44Å; L1548-S1551 PolarHBondContact O-OG 3.31Å; S1551-K1553 VanDerWaalsContact C-N 3.35Å; S1551-K1553 PolarHBondContact O-N 3.45Å; S1551-Q1554 PolarHBondContact O-N 3.27Å; S1551-S1555 PolarHBondContact O-N 2.78Å; S1551-S1555 VanDerWaalsContact O-N 3.17Å; S1551-S1555 PolarHBondContact O-OG 3.41Å |
| 1552 | R | 45.9 | Very low | 51.2 | Low | 98 Ų | 98 | 88.8 Ų | 88.8 | 37% | 0.37 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65 | -31.9 | 175.5 | -100.6 | -176.5 | 167.2 | -128.4 | -6.6 | 113.6 | D1525 M1549 K1556 | D1525-R1552 IonicContact OD2-CZ 3.27Å; D1525-R1552 IonicContact OD2-NH1 2.7Å; D1525-R1552 PolarHBondContact OD2-NH1 3.25Å; D1525-R1552 IonicContact OD2-NH2 3.74Å; M1549-R1552 PolarHBondContact O-N 2.68Å; R1552-K1556 PolarHBondContact O-N 3.03Å; R1552-K1556 VanDerWaalsContact O-N 3.14Å |
| 1553 | K | 48.7 | Very low | 52.7 | Low | 144 Ų | 144 | 82.5 Ų | 82.5 | 63% | 0.626 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -67.1 | -38.5 | 172.9 | -76 | -168.3 | 173.4 | -174.5 | 0 | 111.7 | M1549 N1550 S1551 K1556 D1557 | M1549-K1553 PolarHBondContact O-N 2.91Å; N1550-K1553 PolarHBondContact O-N 3.03Å; S1551-K1553 VanDerWaalsContact C-N 3.35Å; S1551-K1553 PolarHBondContact O-N 3.45Å; K1553-K1556 PolarHBondContact O-N 3.03Å; K1553-D1557 PolarHBondContact O-N 3.48Å |
| 1554 | Q | 47.8 | Very low | 53.9 | Low | 146 Ų | 146 | 79.6 Ų | 79.6 | 68% | 0.682 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -68.8 | -37 | 179.4 | -157.8 | 165 | 11.2 | 0 | 0 | 112.6 | N1550 S1551 D1558 | N1550-Q1554 PolarHBondContact O-N 3.38Å; S1551-Q1554 PolarHBondContact O-N 3.27Å; Q1554-D1558 PolarHBondContact O-N 2.88Å |
| 1555 | S | 52.3 | Low | 55.2 | Low | 12 Ų | 12 | 75.8 Ų | 75.8 | 8% | 0.084 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -75.8 | -19.6 | 172.4 | 48.5 | 0 | 0 | 0 | 0 | 114.6 | D1465 S1551 F1559 | D1465-S1555 WeakPolarHBondContact OD1-CB 3.29Å; D1465-S1555 PolarHBondContact OD1-OG 3.21Å; S1551-S1555 PolarHBondContact O-N 2.78Å; S1551-S1555 VanDerWaalsContact O-N 3.17Å; S1551-S1555 PolarHBondContact O-OG 3.41Å; S1555-F1559 WeakPolarHBondContact O-CB 3.39Å; S1555-F1559 PolarHBondContact O-N 2.93Å |
| 1556 | K | 54.5 | Low | 57 | Low | 86 Ų | 86 | 68 Ų | 68 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 169.1 | -88.6 | -156 | 173.2 | -168.6 | 0 | 113.1 | D1525 D1526 R1552 K1553 F1559 I1560 | D1525-K1556 PolarHBondContact O-NZ 3.2Å; D1526-K1556 IonicContact OD1-NZ 3.7Å; D1526-K1556 PolarHBondContact OD1-NZ 2.86Å; R1552-K1556 PolarHBondContact O-N 3.03Å; R1552-K1556 VanDerWaalsContact O-N 3.14Å; K1553-K1556 PolarHBondContact O-N 3.03Å; K1556-F1559 PolarHBondContact O-N 2.67Å; K1556-I1560 PolarHBondContact O-N 2.85Å |
| 1557 | D | 55.1 | Low | 58.5 | Low | 89 Ų | 89 | 62.4 Ų | 62.4 | 48% | 0.476 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68 | -40.3 | 176 | -77.7 | -44.1 | 0 | 0 | 0 | 111.6 | K1553 F1559 I1560 N1614 | K1553-D1557 PolarHBondContact O-N 3.48Å; D1557-F1559 VanDerWaalsContact C-N 3.32Å; D1557-F1559 PolarHBondContact O-N 3.24Å; D1557-I1560 PolarHBondContact O-N 2.98Å; D1557-N1614 PolarHBondContact OD1-ND2 3.43Å |
| 1558 | D | 55.7 | Low | 60 | Low | 73 Ų | 73 | 57.5 Ų | 57.5 | 39% | 0.39 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 172 | -71.8 | -23 | 0 | 0 | 0 | 111.5 | V1468 Q1554 I1560 A1561 | V1468-D1558 HydrophobicContact CG1-CB 3.92Å; Q1554-D1558 PolarHBondContact O-N 2.88Å; D1558-I1560 PolarHBondContact O-N 2.68Å; D1558-A1561 PolarHBondContact O-N 3.43Å |
| 1559 | F | 66.1 | Low | 61.8 | Low | 13 Ų | 13 | 53.4 Ų | 53.4 | 6% | 0.057 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.4 | -26.2 | -176.8 | -167.6 | -102.8 | 0 | 0 | 0 | 113.6 | V1468 Y1473 L1519 N1522 Y1523 S1555 K1556 D1557 A1561 I1562 P1563 | V1468-F1559 HydrophobicContact CB-CD2 4.45Å; V1468-F1559 HydrophobicContact CG1-CB 4Å; V1468-F1559 HydrophobicContact CG1-CD2 4.1Å; V1468-F1559 HydrophobicContact CG2-CD2 3.69Å; V1468-F1559 HydrophobicContact CG2-CE2 4.35Å; Y1473-F1559 HydrophobicContact CE2-CE2 4.27Å; L1519-F1559 HydrophobicContact CD1-CZ 4.44Å; N1522-F1559 HydrophobicContact CB-CE1 4.23Å; N1522-F1559 HydrophobicContact CB-CE2 4.22Å; N1522-F1559 HydrophobicContact CB-CZ 3.66Å; Y1523-F1559 AromaticContact CD1-CE1 3.9Å; Y1523-F1559 HydrophobicContact CD1-CE1 3.9Å; Y1523-F1559 HydrophobicContact CD1-CZ 4.3Å; Y1523-F1559 AromaticContact CE1-CE1 3.94Å; Y1523-F1559 HydrophobicContact CE1-CE1 3.94Å; Y1523-F1559 HydrophobicContact CE1-CZ 4.18Å; S1555-F1559 WeakPolarHBondContact O-CB 3.39Å; S1555-F1559 PolarHBondContact O-N 2.93Å; K1556-F1559 PolarHBondContact O-N 2.67Å; D1557-F1559 VanDerWaalsContact C-N 3.32Å; D1557-F1559 PolarHBondContact O-N 3.24Å; F1559-A1561 PolarHBondContact O-N 3.27Å; F1559-I1562 HydrophobicContact CD2-CD1 3.86Å; F1559-I1562 HydrophobicContact CE2-CD1 4.32Å; F1559-I1562 WeakPolarHBondContact O-CB 3.47Å; F1559-I1562 PolarHBondContact O-N 3.14Å; F1559-I1562 VanDerWaalsContact O-N 3.11Å; F1559-P1563 WeakPolarHBondContact O-CD 3.43Å |
| 1560 | I | 66.3 | Low | 63.6 | Low | 18 Ų | 18 | 47.8 Ų | 47.8 | 9% | 0.092 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -29.5 | 178.8 | -69.7 | 168.4 | 0 | 0 | 0 | 112.1 | K1556 D1557 D1558 I1562 I1617 | K1556-I1560 PolarHBondContact O-N 2.85Å; D1557-I1560 PolarHBondContact O-N 2.98Å; D1558-I1560 PolarHBondContact O-N 2.68Å; I1560-I1562 VanDerWaalsContact C-N 3.29Å; I1560-I1562 PolarHBondContact O-N 3.44Å; I1560-I1617 HydrophobicContact CG2-CD1 3.71Å; I1560-I1617 HydrophobicContact CG2-CG1 3.7Å |
| 1561 | A | 67.1 | Low | 65.2 | Low | 36 Ų | 36 | 42.5 Ų | 42.5 | 30% | 0.298 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.5 | -24.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1558 F1559 L1564 S1565 | D1558-A1561 PolarHBondContact O-N 3.43Å; F1559-A1561 PolarHBondContact O-N 3.27Å; A1561-L1564 WeakPolarHBondContact O-CB 3.41Å; A1561-L1564 PolarHBondContact O-N 2.94Å; A1561-S1565 PolarHBondContact O-N 3.36Å; A1561-S1565 VanDerWaalsContact O-N 3.08Å |
| 1562 | I | 68.9 | Low | 66.7 | Low | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69 | -55 | -173.2 | -66.5 | 172.9 | 0 | 0 | 0 | 111.8 | V1468 N1471 Y1473 F1559 I1560 L1564 S1565 I1566 | V1468-I1562 HydrophobicContact CB-CD1 4.32Å; V1468-I1562 HydrophobicContact CG1-CD1 3.89Å; V1468-I1562 WeakPolarHBondContact O-CD1 3.2Å; N1471-I1562 HydrophobicContact CB-CG1 4.46Å; N1471-I1562 VanDerWaalsContact OD1-CG1 3.27Å; N1471-I1562 WeakPolarHBondContact OD1-CG1 3.27Å; Y1473-I1562 HydrophobicContact CD2-CG2 4.23Å; F1559-I1562 HydrophobicContact CD2-CD1 3.86Å; F1559-I1562 HydrophobicContact CE2-CD1 4.32Å; F1559-I1562 WeakPolarHBondContact O-CB 3.47Å; F1559-I1562 PolarHBondContact O-N 3.14Å; F1559-I1562 VanDerWaalsContact O-N 3.11Å; I1560-I1562 VanDerWaalsContact C-N 3.29Å; I1560-I1562 PolarHBondContact O-N 3.44Å; I1562-L1564 PolarHBondContact O-N 3.3Å; I1562-S1565 PolarHBondContact O-N 2.64Å; I1562-S1565 VanDerWaalsContact O-N 3.09Å; I1562-S1565 PolarHBondContact O-OG 3.28Å; I1562-I1566 HydrophobicContact CG2-CD1 3.52Å; I1562-I1566 HydrophobicContact CG2-CG1 4.29Å; I1562-I1566 WeakPolarHBondContact O-CG1 3.36Å; I1562-I1566 PolarHBondContact O-N 2.97Å |
| 1563 | P | 70.9 | Confident | 68.5 | Low | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -48.9 | -40.5 | 171.2 | -33.6 | 39.8 | 0 | 0 | 0 | 114.1 | Y1523 F1559 I1566 L1567 T1600 Y1603 L1604 | Y1523-P1563 HydrophobicContact CE1-CG 3.89Å; F1559-P1563 WeakPolarHBondContact O-CD 3.43Å; P1563-I1566 PolarHBondContact O-N 2.85Å; P1563-L1567 PolarHBondContact O-N 2.94Å; P1563-T1600 HydrophobicContact CB-CG2 3.91Å; P1563-Y1603 HydrophobicContact CG-CD1 4.07Å; P1563-Y1603 HydrophobicContact CG-CE1 4.22Å; P1563-L1604 HydrophobicContact CB-CD1 4.1Å; P1563-L1604 HydrophobicContact CB-CD2 3.89Å; P1563-L1604 HydrophobicContact CB-CG 3.87Å |
| 1564 | L | 71.7 | Confident | 69.9 | Low | 37 Ų | 37 | 31.8 Ų | 31.8 | 19% | 0.194 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.4 | -44.1 | -179.9 | -143.8 | 76.6 | 0 | 0 | 0 | 111.4 | A1561 I1562 L1604 L1620 | A1561-L1564 WeakPolarHBondContact O-CB 3.41Å; A1561-L1564 PolarHBondContact O-N 2.94Å; I1562-L1564 PolarHBondContact O-N 3.3Å; L1564-L1604 HydrophobicContact CD1-CD1 4.3Å; L1564-L1604 HydrophobicContact CD1-CD2 3.74Å; L1564-L1620 HydrophobicContact CD1-CD1 4.32Å; L1564-L1620 HydrophobicContact CD1-CD2 4.47Å; L1564-L1620 HydrophobicContact CD2-CD1 4.21Å; L1564-L1620 HydrophobicContact CG-CD1 4.15Å |
| 1565 | S | 74.7 | Confident | 71.4 | Confident | 34 Ų | 34 | 27 Ų | 27 | 24% | 0.238 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -71 | -32.9 | 177.5 | 72.8 | 0 | 0 | 0 | 0 | 113.7 | N1474 A1561 I1562 L1567 S1568 | N1474-S1565 PolarHBondContact ND2-O 2.96Å; N1474-S1565 VanDerWaalsContact ND2-O 3.07Å; N1474-S1565 PolarHBondContact ND2-OG 3.35Å; A1561-S1565 PolarHBondContact O-N 3.36Å; A1561-S1565 VanDerWaalsContact O-N 3.08Å; I1562-S1565 PolarHBondContact O-N 2.64Å; I1562-S1565 VanDerWaalsContact O-N 3.09Å; I1562-S1565 PolarHBondContact O-OG 3.28Å; S1565-L1567 VanDerWaalsContact C-N 3.33Å; S1565-S1568 PolarHBondContact O-OG 2.79Å; S1565-S1568 VanDerWaalsContact O-OG 3.1Å |
| 1566 | I | 79.4 | Confident | 72.7 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.8 | -30.8 | -179.8 | -71.7 | 170.3 | 0 | 0 | 0 | 111.3 | N1474 F1477 L1519 I1562 P1563 S1568 D1569 L1570 | N1474-I1566 HydrophobicContact CB-CG1 4.12Å; F1477-I1566 HydrophobicContact CD2-CB 4.47Å; F1477-I1566 HydrophobicContact CD2-CD1 4.19Å; F1477-I1566 HydrophobicContact CD2-CG1 4.08Å; F1477-I1566 HydrophobicContact CD2-CG2 3.63Å; F1477-I1566 HydrophobicContact CE2-CD1 4.24Å; F1477-I1566 HydrophobicContact CE2-CG2 3.89Å; F1477-I1566 HydrophobicContact CG-CG2 4.38Å; L1519-I1566 HydrophobicContact CD1-CD1 4.49Å; I1562-I1566 HydrophobicContact CG2-CD1 3.52Å; I1562-I1566 HydrophobicContact CG2-CG1 4.29Å; I1562-I1566 WeakPolarHBondContact O-CG1 3.36Å; I1562-I1566 PolarHBondContact O-N 2.97Å; P1563-I1566 PolarHBondContact O-N 2.85Å; I1566-S1568 VanDerWaalsContact C-N 3.29Å; I1566-S1568 PolarHBondContact O-N 3.17Å; I1566-D1569 PolarHBondContact O-N 2.92Å; I1566-D1569 VanDerWaalsContact O-N 3.16Å; I1566-L1570 HydrophobicContact CG2-CD1 3.53Å; I1566-L1570 HydrophobicContact CG2-CD2 4.41Å; I1566-L1570 HydrophobicContact CG2-CG 3.63Å; I1566-L1570 WeakPolarHBondContact O-CG 3.41Å; I1566-L1570 PolarHBondContact O-N 3.09Å |
| 1567 | L | 78.7 | Confident | 73.7 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.8 | -40.5 | -175.7 | -170.9 | 69.2 | 0 | 0 | 0 | 113.1 | P1563 S1565 I1571 L1597 L1601 Y1628 | P1563-L1567 PolarHBondContact O-N 2.94Å; S1565-L1567 VanDerWaalsContact C-N 3.33Å; L1567-I1571 HydrophobicContact CD1-CD1 4.23Å; L1567-I1571 HydrophobicContact CG-CD1 4.17Å; L1567-I1571 WeakPolarHBondContact O-CG1 3.14Å; L1567-I1571 PolarHBondContact O-N 3.23Å; L1567-L1597 HydrophobicContact CD1-CD1 3.57Å; L1567-L1601 HydrophobicContact CD1-CD2 3.82Å; L1567-L1601 HydrophobicContact CD1-CG 4.12Å; L1567-L1601 HydrophobicContact CD2-CD2 4.43Å; L1567-Y1628 HydrophobicContact CD2-CD2 3.9Å; L1567-Y1628 HydrophobicContact CD2-CE2 3.83Å; L1567-Y1628 HydrophobicContact CD2-CG 4.36Å |
| 1568 | S | 78 | Confident | 74.6 | Confident | 46 Ų | 46 | 20.8 Ų | 20.8 | 32% | 0.322 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -68.3 | -45.8 | 177.3 | 48.2 | 0 | 0 | 0 | 0 | 112.5 | S1565 I1566 L1570 I1571 E1572 | S1565-S1568 PolarHBondContact O-OG 2.79Å; S1565-S1568 VanDerWaalsContact O-OG 3.1Å; I1566-S1568 VanDerWaalsContact C-N 3.29Å; I1566-S1568 PolarHBondContact O-N 3.17Å; S1568-L1570 PolarHBondContact O-N 3Å; S1568-I1571 PolarHBondContact O-N 2.91Å; S1568-E1572 WeakPolarHBondContact O-CB 3.48Å; S1568-E1572 PolarHBondContact O-N 2.56Å; S1568-E1572 VanDerWaalsContact O-N 3.16Å |
| 1569 | D | 79.9 | Confident | 75.5 | Confident | 5 Ų | 5 | 22.7 Ų | 22.7 | 3% | 0.027 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.1 | -34.5 | -178.1 | -66.2 | -57.3 | 0 | 0 | 0 | 111.5 | N1474 F1477 K1478 R1481 I1566 C1573 | N1474-D1569 PolarHBondContact ND2-OD2 3.29Å; F1477-D1569 HydrophobicContact CB-CB 4.15Å; K1478-D1569 WeakPolarHBondContact CG-OD1 3.43Å; R1481-D1569 IonicContact CZ-OD1 3.77Å; R1481-D1569 VanDerWaalsContact CZ-OD1 3.3Å; R1481-D1569 IonicContact NH1-OD1 3.76Å; R1481-D1569 PolarHBondContact NH1-OD1 3.01Å; R1481-D1569 IonicContact NH2-OD1 3.94Å; I1566-D1569 PolarHBondContact O-N 2.92Å; I1566-D1569 VanDerWaalsContact O-N 3.16Å; D1569-C1573 WeakPolarHBondContact O-CB 3.48Å; D1569-C1573 PolarHBondContact O-N 2.81Å; D1569-C1573 PolarHBondContact O-SG 2.9Å |
| 1570 | L | 81 | Confident | 75.9 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.9 | -47.5 | 174.3 | -74.9 | 176 | 0 | 0 | 0 | 113.2 | F1477 I1566 S1568 E1572 C1573 F1574 L1593 I1596 L1597 | F1477-L1570 HydrophobicContact CD1-CD2 3.74Å; F1477-L1570 HydrophobicContact CE1-CD2 3.73Å; F1477-L1570 HydrophobicContact CG-CD2 4.22Å; F1477-L1570 HydrophobicContact CZ-CD2 4.21Å; I1566-L1570 HydrophobicContact CG2-CD1 3.53Å; I1566-L1570 HydrophobicContact CG2-CD2 4.41Å; I1566-L1570 HydrophobicContact CG2-CG 3.63Å; I1566-L1570 WeakPolarHBondContact O-CG 3.41Å; I1566-L1570 PolarHBondContact O-N 3.09Å; S1568-L1570 PolarHBondContact O-N 3Å; L1570-E1572 PolarHBondContact O-N 3.15Å; L1570-C1573 PolarHBondContact O-N 2.98Å; L1570-F1574 PolarHBondContact O-N 3.29Å; L1570-L1593 HydrophobicContact CD2-CD2 3.73Å; L1570-I1596 HydrophobicContact CD1-CG2 3.77Å; L1570-I1596 HydrophobicContact CD2-CG2 4.04Å; L1570-L1597 HydrophobicContact CD1-CB 4.47Å; L1570-L1597 HydrophobicContact CD1-CD1 4.41Å |
| 1571 | I | 78.9 | Confident | 76.1 | Confident | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67 | -31.4 | -178.3 | -68.8 | 170.2 | 0 | 0 | 0 | 110.4 | L1567 S1568 F1574 S1575 L1597 Y1628 K1631 L1632 L1635 | L1567-I1571 HydrophobicContact CD1-CD1 4.23Å; L1567-I1571 HydrophobicContact CG-CD1 4.17Å; L1567-I1571 WeakPolarHBondContact O-CG1 3.14Å; L1567-I1571 PolarHBondContact O-N 3.23Å; S1568-I1571 PolarHBondContact O-N 2.91Å; I1571-F1574 WeakPolarHBondContact O-CB 3.24Å; I1571-F1574 PolarHBondContact O-N 3.01Å; I1571-S1575 PolarHBondContact O-N 2.99Å; I1571-L1597 HydrophobicContact CD1-CD1 4.43Å; I1571-L1597 HydrophobicContact CG1-CD1 4.14Å; I1571-Y1628 HydrophobicContact CD1-CD1 3.46Å; I1571-Y1628 VanDerWaalsContact CD1-CD1 3.46Å; I1571-Y1628 HydrophobicContact CD1-CE1 4.19Å; I1571-Y1628 HydrophobicContact CD1-CG 4.03Å; I1571-K1631 HydrophobicContact CG2-CB 3.79Å; I1571-K1631 HydrophobicContact CG2-CD 3.81Å; I1571-K1631 HydrophobicContact CG2-CG 4.45Å; I1571-L1632 HydrophobicContact CD1-CD1 4.43Å; I1571-L1632 HydrophobicContact CD1-CG 4.44Å; I1571-L1632 HydrophobicContact CG1-CD2 4.43Å; I1571-L1635 HydrophobicContact CG2-CD1 4.34Å |
| 1572 | E | 80.1 | Confident | 76.2 | Confident | 68 Ų | 68 | 27.7 Ų | 27.7 | 32% | 0.318 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -75.2 | -39.4 | 175.6 | -161.5 | 169.4 | -160.5 | 0 | 0 | 112.9 | R1481 S1568 L1570 F1574 S1575 L1576 | R1481-E1572 VanDerWaalsContact CD-CD 3.46Å; R1481-E1572 WeakPolarHBondContact CD-OE2 3.38Å; R1481-E1572 IonicContact CZ-OE2 2.86Å; R1481-E1572 IonicContact NE-OE2 2.73Å; R1481-E1572 IonicContact NH1-OE2 3.79Å; R1481-E1572 PolarHBondContact NH1-OE2 3.32Å; S1568-E1572 WeakPolarHBondContact O-CB 3.48Å; S1568-E1572 PolarHBondContact O-N 2.56Å; S1568-E1572 VanDerWaalsContact O-N 3.16Å; L1570-E1572 PolarHBondContact O-N 3.15Å; E1572-F1574 PolarHBondContact O-N 3.26Å; E1572-S1575 WeakPolarHBondContact CA-OG 3.44Å; E1572-S1575 PolarHBondContact O-N 2.86Å; E1572-S1575 PolarHBondContact O-OG 2.91Å; E1572-L1576 WeakPolarHBondContact O-CG 3.32Å; E1572-L1576 PolarHBondContact O-N 3.16Å; E1572-L1576 VanDerWaalsContact O-N 3.15Å |
| 1573 | C | 82 | Confident | 76.4 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.5 | -35.9 | 167.4 | -77.2 | 0 | 0 | 0 | 0 | 112.2 | L1484 D1569 L1570 L1576 L1577 L1593 | L1484-C1573 HydrophobicContact CD1-CB 3.98Å; D1569-C1573 WeakPolarHBondContact O-CB 3.48Å; D1569-C1573 PolarHBondContact O-N 2.81Å; D1569-C1573 PolarHBondContact O-SG 2.9Å; L1570-C1573 PolarHBondContact O-N 2.98Å; C1573-L1576 PolarHBondContact O-N 3.32Å; C1573-L1577 PolarHBondContact O-N 3.05Å; C1573-L1577 VanDerWaalsContact O-N 3.16Å; C1573-L1593 HydrophobicContact CB-CD1 4.16Å |
| 1574 | F | 78.4 | Confident | 76.7 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.7 | -41.9 | 175.3 | -99.7 | -65.4 | 0 | 0 | 0 | 113.6 | L1570 I1571 E1572 L1576 L1577 C1578 G1590 L1593 A1594 L1597 L1635 F1639 M1650 L1654 | L1570-F1574 PolarHBondContact O-N 3.29Å; I1571-F1574 WeakPolarHBondContact O-CB 3.24Å; I1571-F1574 PolarHBondContact O-N 3.01Å; E1572-F1574 PolarHBondContact O-N 3.26Å; F1574-L1576 VanDerWaalsContact C-N 3.33Å; F1574-L1576 PolarHBondContact O-N 2.82Å; F1574-L1577 WeakPolarHBondContact O-CB 3.39Å; F1574-L1577 PolarHBondContact O-N 3.41Å; F1574-L1577 VanDerWaalsContact O-N 3.15Å; F1574-C1578 PolarHBondContact O-N 3.03Å; F1574-C1578 PolarHBondContact O-SG 3.45Å; F1574-G1590 VanDerWaalsContact CZ-O 3.32Å; F1574-G1590 WeakPolarHBondContact CZ-O 3.44Å; F1574-L1593 HydrophobicContact CD2-CB 4.26Å; F1574-L1593 HydrophobicContact CE2-CB 3.57Å; F1574-L1593 HydrophobicContact CZ-CB 3.73Å; F1574-A1594 HydrophobicContact CZ-CB 3.88Å; F1574-L1597 HydrophobicContact CE2-CD2 4.45Å; F1574-L1635 HydrophobicContact CB-CD1 3.73Å; F1574-L1635 HydrophobicContact CB-CD2 4.03Å; F1574-L1635 HydrophobicContact CG-CD1 4.47Å; F1574-F1639 HydrophobicContact CD1-CE2 4.2Å; F1574-F1639 HydrophobicContact CD1-CZ 4.36Å; F1574-M1650 HydrophobicContact CE1-CG 4.33Å; F1574-M1650 HydrophobicContact CE1-SD 4.06Å; F1574-L1654 HydrophobicContact CE2-CD2 4.41Å; F1574-L1654 HydrophobicContact CZ-CD2 4.3Å |
| 1575 | S | 79.3 | Confident | 76.8 | Confident | 46 Ų | 46 | 31.8 Ų | 31.8 | 32% | 0.322 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 174.4 | 34.1 | 0 | 0 | 0 | 0 | 112 | I1571 E1572 L1577 C1578 | I1571-S1575 PolarHBondContact O-N 2.99Å; E1572-S1575 WeakPolarHBondContact CA-OG 3.44Å; E1572-S1575 PolarHBondContact O-N 2.86Å; E1572-S1575 PolarHBondContact O-OG 2.91Å; S1575-L1577 PolarHBondContact O-N 3.3Å; S1575-C1578 WeakPolarHBondContact O-CB 3.39Å; S1575-C1578 PolarHBondContact O-N 3.11Å |
| 1576 | L | 79.7 | Confident | 77 | Confident | 14 Ų | 14 | 30.5 Ų | 30.5 | 7% | 0.073 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.1 | -22.3 | 176.6 | -60.2 | 173.7 | 0 | 0 | 0 | 113.2 | R1481 L1484 H1485 L1488 E1572 C1573 F1574 L1580 | R1481-L1576 HydrophobicContact CG-CD1 3.63Å; L1484-L1576 HydrophobicContact CB-CB 4.07Å; L1484-L1576 HydrophobicContact CB-CD1 3.99Å; L1484-L1576 HydrophobicContact CD1-CB 4.48Å; H1485-L1576 VanDerWaalsContact CE1-CD2 3.47Å; H1485-L1576 WeakPolarHBondContact CE1-CD2 3.37Å; L1488-L1576 HydrophobicContact CD1-CB 3.94Å; L1488-L1576 HydrophobicContact CD1-CD2 3.7Å; L1488-L1576 HydrophobicContact CD1-CG 4.41Å; L1488-L1576 WeakPolarHBondContact CD1-O 3.39Å; E1572-L1576 WeakPolarHBondContact O-CG 3.32Å; E1572-L1576 PolarHBondContact O-N 3.16Å; E1572-L1576 VanDerWaalsContact O-N 3.15Å; C1573-L1576 PolarHBondContact O-N 3.32Å; F1574-L1576 VanDerWaalsContact C-N 3.33Å; F1574-L1576 PolarHBondContact O-N 2.82Å; L1576-L1580 WeakPolarHBondContact O-CG 3.47Å |
| 1577 | L | 76.2 | Confident | 76.9 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -80 | -16.8 | 173.2 | -82.6 | 163 | 0 | 0 | 0 | 113.6 | L1484 C1573 F1574 S1575 L1580 T1586 L1589 L1593 F1639 | L1484-L1577 HydrophobicContact CD1-CG 4.37Å; L1484-L1577 HydrophobicContact CD2-CD2 4.23Å; L1484-L1577 HydrophobicContact CD2-CG 4.38Å; C1573-L1577 PolarHBondContact O-N 3.05Å; C1573-L1577 VanDerWaalsContact O-N 3.16Å; F1574-L1577 WeakPolarHBondContact O-CB 3.39Å; F1574-L1577 PolarHBondContact O-N 3.41Å; F1574-L1577 VanDerWaalsContact O-N 3.15Å; S1575-L1577 PolarHBondContact O-N 3.3Å; L1577-L1580 HydrophobicContact CD2-CD1 4.15Å; L1577-T1586 HydrophobicContact CD2-CG2 3.61Å; L1577-L1589 HydrophobicContact CD1-CD2 4.45Å; L1577-L1589 HydrophobicContact CD1-CG 4.26Å; L1577-L1589 HydrophobicContact CD2-CD2 4.18Å; L1577-L1593 HydrophobicContact CD1-CD1 3.4Å; L1577-L1593 VanDerWaalsContact CD1-CD1 3.4Å; L1577-F1639 HydrophobicContact CB-CZ 4.48Å |
| 1578 | C | 73.4 | Confident | 76.8 | Confident | 39 Ų | 39 | 34.3 Ų | 34.3 | 26% | 0.264 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -75.5 | -31.5 | 173 | -62.3 | 0 | 0 | 0 | 0 | 112.7 | F1574 S1575 L1635 S1638 F1639 | F1574-C1578 PolarHBondContact O-N 3.03Å; F1574-C1578 PolarHBondContact O-SG 3.45Å; S1575-C1578 WeakPolarHBondContact O-CB 3.39Å; S1575-C1578 PolarHBondContact O-N 3.11Å; C1578-L1635 WeakPolarHBondContact SG-CD2 3.23Å; C1578-S1638 PolarHBondContact SG-OG 3.13Å; C1578-F1639 WeakPolarHBondContact SG-CE2 3.48Å; C1578-F1639 WeakPolarHBondContact SG-CZ 3.44Å |
| 1579 | D | 75.3 | Confident | 77 | Confident | 113 Ų | 113 | 32.1 Ų | 32.1 | 60% | 0.604 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -85.8 | -8.6 | -175.1 | -58 | -34.9 | 0 | 0 | 0 | 112.9 | L1488 | L1488-D1579 HydrophobicContact CD1-CB 4.14Å; L1488-D1579 HydrophobicContact CD2-CB 3.62Å |
| 1580 | L | 74.3 | Confident | 77.1 | Confident | 11 Ų | 11 | 31.9 Ų | 31.9 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -85.5 | 152.6 | 178.5 | -76.5 | 171 | 0 | 0 | 0 | 112.5 | L1484 V1487 L1488 L1505 L1576 L1577 T1586 | L1484-L1580 HydrophobicContact CD2-CD1 3.86Å; V1487-L1580 HydrophobicContact CG1-CD2 3.82Å; L1488-L1580 HydrophobicContact CD2-CD2 4.2Å; L1488-L1580 HydrophobicContact CD2-CG 4.4Å; L1488-L1580 HydrophobicContact CG-CD2 3.91Å; L1488-L1580 HydrophobicContact CG-CG 4.11Å; L1505-L1580 HydrophobicContact CD2-CD1 4.31Å; L1576-L1580 WeakPolarHBondContact O-CG 3.47Å; L1577-L1580 HydrophobicContact CD2-CD1 4.15Å; L1580-T1586 HydrophobicContact CB-CG2 4.13Å |
| 1581 | P | 69.4 | Low | 77.1 | Confident | 52 Ų | 52 | 32.7 Ų | 32.7 | 34% | 0.338 | 18% | 0.183 | S | C | . | . | trans | -60.8 | 146.4 | 176.3 | 24.6 | -33.8 | 0 | 0 | 0 | 112.2 | L1501 I1583 T1586 | L1501-P1581 HydrophobicContact CD1-CG 4.02Å; P1581-I1583 HydrophobicContact CB-CD1 4.42Å; P1581-I1583 HydrophobicContact CB-CG1 4.33Å; P1581-I1583 HydrophobicContact CG-CD1 3.92Å; P1581-I1583 HydrophobicContact CG-CG1 4.33Å; P1581-I1583 PolarHBondContact O-N 3.44Å; P1581-T1586 PolarHBondContact O-OG1 3.1Å | ||
| 1582 | P | 69.1 | Low | 77.2 | Confident | 109 Ų | 109 | 34.2 Ų | 34.2 | 71% | 0.708 | 19% | 0.19 | S | C | * | . | trans | -77.6 | 64.3 | -174 | 33.2 | -37.4 | 0 | 0 | 0 | 112.4 | F1587 | P1582-F1587 HydrophobicContact CB-CE2 3.88Å; P1582-F1587 HydrophobicContact CB-CZ 3.68Å | ||
| 1583 | I | 73.1 | Confident | 77.4 | Confident | 22 Ų | 22 | 31 Ų | 31 | 11% | 0.113 | 18% | 0.175 | C | C | . | . | trans | -85.8 | 149.2 | 174.1 | -55.7 | 168.7 | 0 | 0 | 0 | 108.5 | I1498 L1501 Q1502 P1581 S1585 T1586 F1587 | I1498-I1583 HydrophobicContact CG2-CD1 3.94Å; I1498-I1583 HydrophobicContact CG2-CG1 4.43Å; L1501-I1583 HydrophobicContact CB-CD1 4.41Å; L1501-I1583 HydrophobicContact CD2-CD1 4.29Å; Q1502-I1583 HydrophobicContact CB-CG2 4.13Å; Q1502-I1583 HydrophobicContact CG-CG2 4.01Å; P1581-I1583 HydrophobicContact CB-CD1 4.42Å; P1581-I1583 HydrophobicContact CB-CG1 4.33Å; P1581-I1583 HydrophobicContact CG-CD1 3.92Å; P1581-I1583 HydrophobicContact CG-CG1 4.33Å; P1581-I1583 PolarHBondContact O-N 3.44Å; I1583-S1585 VanDerWaalsContact C-N 3.27Å; I1583-S1585 WeakPolarHBondContact CG2-OG 3.34Å; I1583-S1585 PolarHBondContact O-N 2.97Å; I1583-T1586 WeakPolarHBondContact O-CA 3.25Å; I1583-T1586 WeakPolarHBondContact O-CB 3.48Å; I1583-T1586 PolarHBondContact O-N 3.47Å; I1583-T1586 PolarHBondContact O-OG1 3.05Å; I1583-F1587 WeakPolarHBondContact O-CD2 3.43Å | ||
| 1584 | Q | 77.3 | Confident | 77.3 | Confident | 99 Ų | 99 | 31 Ų | 31 | 46% | 0.463 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -46.3 | -49 | 178 | -168.9 | 66.4 | 29.8 | 0 | 0 | 112.8 | T1586 F1587 D1588 Q1646 | Q1584-T1586 PolarHBondContact O-N 3.17Å; Q1584-F1587 PolarHBondContact O-N 3.41Å; Q1584-D1588 PolarHBondContact O-N 3.41Å; Q1584-Q1646 VanDerWaalsContact NE2-CD 3.27Å |
| 1585 | S | 75.2 | Confident | 77.5 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.1 | -26.1 | 179.3 | 54.4 | 0 | 0 | 0 | 0 | 114.3 | L1505 I1583 L1589 | L1505-S1585 WeakPolarHBondContact CB-OG 3.34Å; I1583-S1585 VanDerWaalsContact C-N 3.27Å; I1583-S1585 WeakPolarHBondContact CG2-OG 3.34Å; I1583-S1585 PolarHBondContact O-N 2.97Å; S1585-L1589 WeakPolarHBondContact O-CB 3.43Å; S1585-L1589 PolarHBondContact O-N 3.45Å; S1585-L1589 VanDerWaalsContact O-N 3.11Å |
| 1586 | T | 78 | Confident | 77.6 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.5 | -44.6 | 174.5 | -45.6 | 0 | 0 | 0 | 0 | 110.2 | L1505 L1577 L1580 P1581 I1583 Q1584 G1590 | L1505-T1586 WeakPolarHBondContact CD1-OG1 3.26Å; L1577-T1586 HydrophobicContact CD2-CG2 3.61Å; L1580-T1586 HydrophobicContact CB-CG2 4.13Å; P1581-T1586 PolarHBondContact O-OG1 3.1Å; I1583-T1586 WeakPolarHBondContact O-CA 3.25Å; I1583-T1586 WeakPolarHBondContact O-CB 3.48Å; I1583-T1586 PolarHBondContact O-N 3.47Å; I1583-T1586 PolarHBondContact O-OG1 3.05Å; Q1584-T1586 PolarHBondContact O-N 3.17Å; T1586-G1590 PolarHBondContact O-N 2.68Å |
| 1587 | F | 77.6 | Confident | 77.8 | Confident | 42 Ų | 42 | 29.5 Ų | 29.5 | 18% | 0.184 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74.2 | -37.6 | 177.5 | -59 | -63.5 | 0 | 0 | 0 | 112.6 | P1582 I1583 Q1584 L1589 G1590 N1591 V1647 | P1582-F1587 HydrophobicContact CB-CE2 3.88Å; P1582-F1587 HydrophobicContact CB-CZ 3.68Å; I1583-F1587 WeakPolarHBondContact O-CD2 3.43Å; Q1584-F1587 PolarHBondContact O-N 3.41Å; F1587-L1589 VanDerWaalsContact C-N 3.34Å; F1587-L1589 PolarHBondContact O-N 3Å; F1587-G1590 PolarHBondContact O-N 3.33Å; F1587-N1591 PolarHBondContact O-N 2.96Å; F1587-N1591 PolarHBondContact O-ND2 2.76Å; F1587-V1647 HydrophobicContact CD1-CG2 3.75Å; F1587-V1647 HydrophobicContact CD2-CG2 4.44Å; F1587-V1647 HydrophobicContact CE1-CG2 3.99Å; F1587-V1647 HydrophobicContact CG-CG2 3.99Å; F1587-V1647 HydrophobicContact CZ-CG2 4.43Å |
| 1588 | D | 77.3 | Confident | 78.1 | Confident | 40 Ų | 40 | 30.1 Ų | 30.1 | 21% | 0.214 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.2 | -47.3 | 171.7 | -84.2 | -55 | 0 | 0 | 0 | 111.1 | H1509 Q1584 Q1592 Q1646 | H1509-D1588 PolarHBondContact CE1-O 3.48Å; H1509-D1588 VanDerWaalsContact CE1-O 3.24Å; H1509-D1588 PolarHBondContact ND1-O 2.9Å; Q1584-D1588 PolarHBondContact O-N 3.41Å; D1588-Q1592 PolarHBondContact O-N 3.5Å; D1588-Q1646 PolarHBondContact OD1-NE2 3.33Å; D1588-Q1646 PolarHBondContact OD1-OE1 3.04Å |
| 1589 | L | 82.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | 176.5 | 179.5 | 58.3 | 0 | 0 | 0 | 112.2 | L1484 L1505 L1508 H1509 T1512 L1577 S1585 F1587 N1591 Q1592 L1593 | L1484-L1589 HydrophobicContact CD2-CD2 4.15Å; L1505-L1589 HydrophobicContact CD2-CD2 4.11Å; L1508-L1589 HydrophobicContact CD2-CD2 3.88Å; L1508-L1589 HydrophobicContact CG-CD2 4.34Å; H1509-L1589 HydrophobicContact CB-CB 4.36Å; H1509-L1589 PolarHBondContact ND1-N 2.94Å; T1512-L1589 HydrophobicContact CG2-CD1 4.2Å; T1512-L1589 WeakPolarHBondContact OG1-CD1 3.37Å; L1577-L1589 HydrophobicContact CD1-CD2 4.45Å; L1577-L1589 HydrophobicContact CD1-CG 4.26Å; L1577-L1589 HydrophobicContact CD2-CD2 4.18Å; S1585-L1589 WeakPolarHBondContact O-CB 3.43Å; S1585-L1589 PolarHBondContact O-N 3.45Å; S1585-L1589 VanDerWaalsContact O-N 3.11Å; F1587-L1589 VanDerWaalsContact C-N 3.34Å; F1587-L1589 PolarHBondContact O-N 3Å; L1589-N1591 VanDerWaalsContact C-N 3.31Å; L1589-N1591 PolarHBondContact O-N 3.45Å; L1589-Q1592 PolarHBondContact O-N 2.76Å; L1589-Q1592 VanDerWaalsContact O-N 3.12Å; L1589-L1593 HydrophobicContact CD1-CD1 4.39Å; L1589-L1593 HydrophobicContact CD1-CG 4.45Å; L1589-L1593 HydrophobicContact CG-CD1 4.24Å; L1589-L1593 PolarHBondContact O-N 2.96Å; L1589-L1593 VanDerWaalsContact O-N 3.1Å |
| 1590 | G | 80.6 | Confident | 78.6 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.7 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1574 T1586 F1587 Q1592 L1593 A1594 | F1574-G1590 VanDerWaalsContact CZ-O 3.32Å; F1574-G1590 WeakPolarHBondContact CZ-O 3.44Å; T1586-G1590 PolarHBondContact O-N 2.68Å; F1587-G1590 PolarHBondContact O-N 3.33Å; G1590-Q1592 PolarHBondContact O-N 2.92Å; G1590-L1593 PolarHBondContact O-N 3.22Å; G1590-A1594 WeakPolarHBondContact O-CB 3.42Å; G1590-A1594 PolarHBondContact O-N 2.86Å |
| 1591 | N | 80.7 | Confident | 78.8 | Confident | 17 Ų | 17 | 24.1 Ų | 24.1 | 9% | 0.091 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.8 | -43.6 | 173.8 | -86.4 | -74.3 | 0 | 0 | 0 | 113.1 | F1587 L1589 A1594 T1595 Q1646 H1649 M1650 | F1587-N1591 PolarHBondContact O-N 2.96Å; F1587-N1591 PolarHBondContact O-ND2 2.76Å; L1589-N1591 VanDerWaalsContact C-N 3.31Å; L1589-N1591 PolarHBondContact O-N 3.45Å; N1591-A1594 PolarHBondContact O-N 3Å; N1591-T1595 PolarHBondContact O-N 3.48Å; N1591-T1595 VanDerWaalsContact O-N 3.1Å; N1591-T1595 PolarHBondContact O-OG1 3.4Å; N1591-Q1646 PolarHBondContact ND2-O 3.17Å; N1591-Q1646 PolarHBondContact OD1-O 2.85Å; N1591-H1649 WeakPolarHBondContact OD1-CB 3.32Å; N1591-M1650 PolarHBondContact OD1-N 3.14Å |
| 1592 | Q | 82.5 | Confident | 79.3 | Confident | 33 Ų | 33 | 24.2 Ų | 24.2 | 15% | 0.154 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.6 | -46 | 179 | -57.7 | -50.7 | -36.5 | 0 | 0 | 110.7 | H1509 C1513 D1588 L1589 G1590 A1594 T1595 I1596 | H1509-Q1592 VanDerWaalsContact CE1-CG 3.42Å; H1509-Q1592 WeakPolarHBondContact CE1-CG 3.23Å; H1509-Q1592 WeakPolarHBondContact ND1-CG 3.35Å; C1513-Q1592 PolarHBondContact SG-OE1 3.41Å; C1513-Q1592 VanDerWaalsContact SG-OE1 3.39Å; D1588-Q1592 PolarHBondContact O-N 3.5Å; L1589-Q1592 PolarHBondContact O-N 2.76Å; L1589-Q1592 VanDerWaalsContact O-N 3.12Å; G1590-Q1592 PolarHBondContact O-N 2.92Å; Q1592-A1594 VanDerWaalsContact C-N 3.29Å; Q1592-A1594 PolarHBondContact O-N 2.92Å; Q1592-T1595 PolarHBondContact O-N 2.94Å; Q1592-T1595 PolarHBondContact O-OG1 2.86Å; Q1592-I1596 WeakPolarHBondContact O-CD1 3.31Å; Q1592-I1596 WeakPolarHBondContact O-CG1 3.49Å; Q1592-I1596 PolarHBondContact O-N 2.9Å |
| 1593 | L | 83.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.1 | -34.6 | 176.2 | -64.4 | 170.5 | 0 | 0 | 0 | 112.6 | F1477 L1570 C1573 F1574 L1577 L1589 G1590 I1596 L1597 | F1477-L1593 HydrophobicContact CD1-CD2 4.47Å; F1477-L1593 HydrophobicContact CE1-CD2 4.22Å; L1570-L1593 HydrophobicContact CD2-CD2 3.73Å; C1573-L1593 HydrophobicContact CB-CD1 4.16Å; F1574-L1593 HydrophobicContact CD2-CB 4.26Å; F1574-L1593 HydrophobicContact CE2-CB 3.57Å; F1574-L1593 HydrophobicContact CZ-CB 3.73Å; L1577-L1593 HydrophobicContact CD1-CD1 3.4Å; L1577-L1593 VanDerWaalsContact CD1-CD1 3.4Å; L1589-L1593 HydrophobicContact CD1-CD1 4.39Å; L1589-L1593 HydrophobicContact CD1-CG 4.45Å; L1589-L1593 HydrophobicContact CG-CD1 4.24Å; L1589-L1593 PolarHBondContact O-N 2.96Å; L1589-L1593 VanDerWaalsContact O-N 3.1Å; G1590-L1593 PolarHBondContact O-N 3.22Å; L1593-I1596 HydrophobicContact CD2-CD1 4.37Å; L1593-I1596 PolarHBondContact O-N 3.48Å; L1593-L1597 WeakPolarHBondContact O-CB 3.48Å; L1593-L1597 PolarHBondContact O-N 3.07Å |
| 1594 | A | 81.2 | Confident | 79.7 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.7 | -48.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1574 G1590 N1591 Q1592 I1596 L1597 N1598 M1650 D1653 | F1574-A1594 HydrophobicContact CZ-CB 3.88Å; G1590-A1594 WeakPolarHBondContact O-CB 3.42Å; G1590-A1594 PolarHBondContact O-N 2.86Å; N1591-A1594 PolarHBondContact O-N 3Å; Q1592-A1594 VanDerWaalsContact C-N 3.29Å; Q1592-A1594 PolarHBondContact O-N 2.92Å; A1594-I1596 VanDerWaalsContact C-N 3.31Å; A1594-I1596 PolarHBondContact O-N 3.25Å; A1594-L1597 PolarHBondContact O-N 3.48Å; A1594-N1598 WeakPolarHBondContact O-CB 3.16Å; A1594-N1598 PolarHBondContact O-N 3.1Å; A1594-M1650 HydrophobicContact CB-CG 4.14Å; A1594-D1653 HydrophobicContact CB-CB 3.71Å |
| 1595 | T | 81.3 | Confident | 79.6 | Confident | 29 Ų | 29 | 17.3 Ų | 17.3 | 18% | 0.178 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.7 | -34.9 | 176.3 | 60.6 | 0 | 0 | 0 | 0 | 112.5 | K1516 N1591 Q1592 T1599 D1653 | K1516-T1595 VanDerWaalsContact CD-OG1 3.25Å; K1516-T1595 WeakPolarHBondContact CD-OG1 3.42Å; K1516-T1595 PolarHBondContact NZ-OG1 3.35Å; N1591-T1595 PolarHBondContact O-N 3.48Å; N1591-T1595 VanDerWaalsContact O-N 3.1Å; N1591-T1595 PolarHBondContact O-OG1 3.4Å; Q1592-T1595 PolarHBondContact O-N 2.94Å; Q1592-T1595 PolarHBondContact O-OG1 2.86Å; T1595-T1599 WeakPolarHBondContact O-CB 3.3Å; T1595-T1599 WeakPolarHBondContact O-CG2 3.27Å; T1595-T1599 PolarHBondContact O-N 3.11Å; T1595-T1599 VanDerWaalsContact O-N 3.11Å; T1595-T1599 PolarHBondContact O-OG1 3.41Å; T1595-D1653 WeakPolarHBondContact CG2-OD2 3.23Å |
| 1596 | I | 82.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.4 | -45.9 | 174.3 | -62.6 | 162.2 | 0 | 0 | 0 | 110.4 | F1477 K1516 L1519 L1570 Q1592 L1593 A1594 T1599 T1600 | F1477-I1596 HydrophobicContact CE1-CD1 4.01Å; F1477-I1596 HydrophobicContact CZ-CD1 3.98Å; F1477-I1596 HydrophobicContact CZ-CG2 4.05Å; K1516-I1596 HydrophobicContact CB-CD1 3.94Å; K1516-I1596 HydrophobicContact CB-CG1 3.81Å; K1516-I1596 HydrophobicContact CD-CD1 4.3Å; K1516-I1596 HydrophobicContact CD-CG1 3.56Å; K1516-I1596 HydrophobicContact CG-CD1 4.27Å; K1516-I1596 HydrophobicContact CG-CG1 3.57Å; L1519-I1596 HydrophobicContact CD2-CG2 4Å; L1570-I1596 HydrophobicContact CD1-CG2 3.77Å; L1570-I1596 HydrophobicContact CD2-CG2 4.04Å; Q1592-I1596 WeakPolarHBondContact O-CD1 3.31Å; Q1592-I1596 WeakPolarHBondContact O-CG1 3.49Å; Q1592-I1596 PolarHBondContact O-N 2.9Å; L1593-I1596 HydrophobicContact CD2-CD1 4.37Å; L1593-I1596 PolarHBondContact O-N 3.48Å; A1594-I1596 VanDerWaalsContact C-N 3.31Å; A1594-I1596 PolarHBondContact O-N 3.25Å; I1596-T1599 PolarHBondContact O-OG1 3.09Å; I1596-T1600 WeakPolarHBondContact O-CB 3.3Å; I1596-T1600 PolarHBondContact O-N 2.93Å; I1596-T1600 PolarHBondContact O-OG1 3.47Å |
| 1597 | L | 83.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.3 | -50.4 | 179.1 | 179.4 | 67.8 | 0 | 0 | 0 | 111.4 | L1567 L1570 I1571 F1574 L1593 A1594 T1600 L1601 L1632 L1654 | L1567-L1597 HydrophobicContact CD1-CD1 3.57Å; L1570-L1597 HydrophobicContact CD1-CB 4.47Å; L1570-L1597 HydrophobicContact CD1-CD1 4.41Å; I1571-L1597 HydrophobicContact CD1-CD1 4.43Å; I1571-L1597 HydrophobicContact CG1-CD1 4.14Å; F1574-L1597 HydrophobicContact CE2-CD2 4.45Å; L1593-L1597 WeakPolarHBondContact O-CB 3.48Å; L1593-L1597 PolarHBondContact O-N 3.07Å; A1594-L1597 PolarHBondContact O-N 3.48Å; L1597-T1600 PolarHBondContact O-N 2.9Å; L1597-L1601 HydrophobicContact CD1-CD1 4.05Å; L1597-L1601 HydrophobicContact CD1-CG 4.42Å; L1597-L1601 HydrophobicContact CG-CD1 4.01Å; L1597-L1601 WeakPolarHBondContact O-CB 3.36Å; L1597-L1601 WeakPolarHBondContact O-CG 3.49Å; L1597-L1601 PolarHBondContact O-N 3.41Å; L1597-L1632 HydrophobicContact CD2-CD2 3.68Å; L1597-L1654 HydrophobicContact CD2-CD2 4.03Å |
| 1598 | N | 81.8 | Confident | 78.6 | Confident | 17 Ų | 17 | 21.7 Ų | 21.7 | 9% | 0.091 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.1 | -52.2 | -180 | -173.1 | 9.9 | 0 | 0 | 0 | 110.9 | A1594 T1600 L1601 V1602 D1653 S1657 I1660 | A1594-N1598 WeakPolarHBondContact O-CB 3.16Å; A1594-N1598 PolarHBondContact O-N 3.1Å; N1598-T1600 VanDerWaalsContact C-N 3.35Å; N1598-T1600 PolarHBondContact O-N 3.46Å; N1598-L1601 PolarHBondContact O-N 3.11Å; N1598-V1602 WeakPolarHBondContact O-CG2 3.39Å; N1598-V1602 PolarHBondContact O-N 3.14Å; N1598-D1653 HydrophobicContact CB-CB 4.44Å; N1598-D1653 PolarHBondContact ND2-OD1 2.92Å; N1598-S1657 WeakPolarHBondContact CA-OG 3.44Å; N1598-S1657 WeakPolarHBondContact CB-OG 3.34Å; N1598-S1657 PolarHBondContact N-OG 3.43Å; N1598-I1660 WeakPolarHBondContact OD1-CD1 3.24Å |
| 1599 | T | 78.8 | Confident | 78.1 | Confident | 36 Ų | 36 | 24 Ų | 24 | 22% | 0.221 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.5 | -35.6 | 179.9 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | L1520 T1595 I1596 V1602 Y1603 | L1520-T1599 HydrophobicContact CD2-CG2 3.82Å; L1520-T1599 WeakPolarHBondContact CD2-OG1 3.37Å; T1595-T1599 WeakPolarHBondContact O-CB 3.3Å; T1595-T1599 WeakPolarHBondContact O-CG2 3.27Å; T1595-T1599 PolarHBondContact O-N 3.11Å; T1595-T1599 VanDerWaalsContact O-N 3.11Å; T1595-T1599 PolarHBondContact O-OG1 3.41Å; I1596-T1599 PolarHBondContact O-OG1 3.09Å; T1599-V1602 PolarHBondContact O-N 3.39Å; T1599-Y1603 WeakPolarHBondContact O-CB 3.35Å; T1599-Y1603 PolarHBondContact O-N 2.89Å |
| 1600 | T | 80.3 | Confident | 77.1 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.1 | -41.2 | 174.2 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | Y1523 P1563 I1596 L1597 N1598 Y1603 L1604 | Y1523-T1600 WeakPolarHBondContact OH-CG2 3.29Å; Y1523-T1600 PolarHBondContact OH-OG1 3.2Å; P1563-T1600 HydrophobicContact CB-CG2 3.91Å; I1596-T1600 WeakPolarHBondContact O-CB 3.3Å; I1596-T1600 PolarHBondContact O-N 2.93Å; I1596-T1600 PolarHBondContact O-OG1 3.47Å; L1597-T1600 PolarHBondContact O-N 2.9Å; N1598-T1600 VanDerWaalsContact C-N 3.35Å; N1598-T1600 PolarHBondContact O-N 3.46Å; T1600-Y1603 PolarHBondContact O-N 3.3Å; T1600-L1604 HydrophobicContact CG2-CD1 4.27Å; T1600-L1604 WeakPolarHBondContact O-CB 3.35Å; T1600-L1604 WeakPolarHBondContact O-CG 3.42Å; T1600-L1604 PolarHBondContact O-N 2.86Å |
| 1601 | L | 79.8 | Confident | 75.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68 | -38.5 | 174.2 | -75.1 | 169.3 | 0 | 0 | 0 | 112.5 | L1567 L1597 N1598 L1604 Y1605 I1660 L1661 | L1567-L1601 HydrophobicContact CD1-CD2 3.82Å; L1567-L1601 HydrophobicContact CD1-CG 4.12Å; L1567-L1601 HydrophobicContact CD2-CD2 4.43Å; L1597-L1601 HydrophobicContact CD1-CD1 4.05Å; L1597-L1601 HydrophobicContact CD1-CG 4.42Å; L1597-L1601 HydrophobicContact CG-CD1 4.01Å; L1597-L1601 WeakPolarHBondContact O-CB 3.36Å; L1597-L1601 WeakPolarHBondContact O-CG 3.49Å; L1597-L1601 PolarHBondContact O-N 3.41Å; N1598-L1601 PolarHBondContact O-N 3.11Å; L1601-L1604 PolarHBondContact O-N 3.38Å; L1601-Y1605 VanDerWaalsContact O-CB 3.23Å; L1601-Y1605 WeakPolarHBondContact O-CB 3.39Å; L1601-Y1605 PolarHBondContact O-N 3.15Å; L1601-I1660 HydrophobicContact CB-CG2 4.21Å; L1601-L1661 HydrophobicContact CD1-CD1 4.15Å; L1601-L1661 HydrophobicContact CD2-CD1 3.89Å; L1601-L1661 HydrophobicContact CD2-CG 4.15Å |
| 1602 | V | 79 | Confident | 74.4 | Confident | 55 Ų | 55 | 34.8 Ų | 34.8 | 33% | 0.333 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.8 | -45.8 | 171.8 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | N1598 T1599 Y1605 K1606 I1660 | N1598-V1602 WeakPolarHBondContact O-CG2 3.39Å; N1598-V1602 PolarHBondContact O-N 3.14Å; T1599-V1602 PolarHBondContact O-N 3.39Å; V1602-Y1605 PolarHBondContact O-N 3.41Å; V1602-K1606 VanDerWaalsContact O-CB 3.31Å; V1602-K1606 WeakPolarHBondContact O-CB 3.29Å; V1602-K1606 PolarHBondContact O-N 3.49Å; V1602-I1660 HydrophobicContact CG2-CD1 3.56Å |
| 1603 | Y | 76.1 | Confident | 72.6 | Confident | 19 Ų | 19 | 42.4 Ų | 42.4 | 8% | 0.075 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 178.7 | -176.2 | -97 | 0 | 0 | 0 | 112.5 | Y1523 P1563 T1599 T1600 Y1605 K1606 T1607 | Y1523-Y1603 HydrophobicContact CD1-CD1 4.09Å; Y1523-Y1603 HydrophobicContact CD1-CD2 4.03Å; Y1523-Y1603 HydrophobicContact CD1-CE1 4.37Å; Y1523-Y1603 HydrophobicContact CD1-CE2 4.32Å; Y1523-Y1603 AromaticContact CD1-CG 3.92Å; Y1523-Y1603 HydrophobicContact CD1-CG 3.92Å; Y1523-Y1603 HydrophobicContact CE1-CD1 4.12Å; Y1523-Y1603 HydrophobicContact CE1-CG 4.26Å; Y1523-Y1603 HydrophobicContact CG-CD2 4.01Å; Y1523-Y1603 HydrophobicContact CG-CG 4.06Å; P1563-Y1603 HydrophobicContact CG-CD1 4.07Å; P1563-Y1603 HydrophobicContact CG-CE1 4.22Å; T1599-Y1603 WeakPolarHBondContact O-CB 3.35Å; T1599-Y1603 PolarHBondContact O-N 2.89Å; T1600-Y1603 PolarHBondContact O-N 3.3Å; Y1603-Y1605 PolarHBondContact O-N 3.17Å; Y1603-K1606 PolarHBondContact O-N 2.68Å; Y1603-T1607 HydrophobicContact CD1-CG2 4.42Å; Y1603-T1607 HydrophobicContact CE1-CG2 3.97Å; Y1603-T1607 HydrophobicContact CE2-CG2 4.29Å; Y1603-T1607 WeakPolarHBondContact O-CG2 3.41Å; Y1603-T1607 PolarHBondContact O-N 2.93Å; Y1603-T1607 PolarHBondContact O-OG1 2.99Å |
| 1604 | L | 75.3 | Confident | 71 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.1 | -41 | 175 | -78.4 | 170.8 | 0 | 0 | 0 | 112.4 | P1563 L1564 T1600 L1601 T1607 Y1608 W1664 | P1563-L1604 HydrophobicContact CB-CD1 4.1Å; P1563-L1604 HydrophobicContact CB-CD2 3.89Å; P1563-L1604 HydrophobicContact CB-CG 3.87Å; L1564-L1604 HydrophobicContact CD1-CD1 4.3Å; L1564-L1604 HydrophobicContact CD1-CD2 3.74Å; T1600-L1604 HydrophobicContact CG2-CD1 4.27Å; T1600-L1604 WeakPolarHBondContact O-CB 3.35Å; T1600-L1604 WeakPolarHBondContact O-CG 3.42Å; T1600-L1604 PolarHBondContact O-N 2.86Å; L1601-L1604 PolarHBondContact O-N 3.38Å; L1604-T1607 WeakPolarHBondContact CA-OG1 3.39Å; L1604-T1607 PolarHBondContact O-OG1 2.69Å; L1604-T1607 VanDerWaalsContact O-OG1 3.06Å; L1604-Y1608 VanDerWaalsContact O-CB 3.26Å; L1604-Y1608 WeakPolarHBondContact O-CB 3.24Å; L1604-Y1608 PolarHBondContact O-N 3.16Å; L1604-W1664 HydrophobicContact CB-CH2 4.06Å; L1604-W1664 HydrophobicContact CB-CZ3 4.08Å |
| 1605 | Y | 74 | Confident | 69.5 | Low | 65 Ų | 65 | 50.3 Ų | 50.3 | 26% | 0.255 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -71.8 | -36.4 | 177.8 | -172.6 | -111.8 | 0 | 0 | 0 | 112.4 | L1601 V1602 Y1603 N1609 I1660 W1664 | L1601-Y1605 VanDerWaalsContact O-CB 3.23Å; L1601-Y1605 WeakPolarHBondContact O-CB 3.39Å; L1601-Y1605 PolarHBondContact O-N 3.15Å; V1602-Y1605 PolarHBondContact O-N 3.41Å; Y1603-Y1605 PolarHBondContact O-N 3.17Å; Y1605-N1609 WeakPolarHBondContact CE1-ND2 3.4Å; Y1605-N1609 WeakPolarHBondContact CE2-ND2 3.21Å; Y1605-N1609 VanDerWaalsContact CZ-ND2 3.3Å; Y1605-N1609 PolarHBondContact O-N 3.44Å; Y1605-N1609 VanDerWaalsContact O-N 3.17Å; Y1605-N1609 PolarHBondContact O-ND2 3.22Å; Y1605-I1660 HydrophobicContact CG-CG2 4.23Å; Y1605-W1664 HydrophobicContact CD2-CB 3.86Å; Y1605-W1664 HydrophobicContact CD2-CD2 4.38Å; Y1605-W1664 AromaticContact CD2-CG 3.9Å; Y1605-W1664 HydrophobicContact CD2-CG 3.9Å; Y1605-W1664 HydrophobicContact CE2-CB 4.01Å; Y1605-W1664 HydrophobicContact CE2-CG 4.29Å |
| 1606 | K | 74 | Confident | 68.1 | Low | 71 Ų | 71 | 52.9 Ų | 52.9 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.3 | -52.6 | 172 | -176.6 | -166.5 | 176.4 | -155.3 | 0 | 110.3 | D1526 V1602 Y1603 Y1608 N1609 T1610 | D1526-K1606 IonicContact OD2-NZ 2.68Å; D1526-K1606 PolarHBondContact OD2-NZ 2.75Å; V1602-K1606 VanDerWaalsContact O-CB 3.31Å; V1602-K1606 WeakPolarHBondContact O-CB 3.29Å; V1602-K1606 PolarHBondContact O-N 3.49Å; Y1603-K1606 PolarHBondContact O-N 2.68Å; K1606-Y1608 PolarHBondContact O-N 2.74Å; K1606-N1609 PolarHBondContact O-N 3.32Å; K1606-T1610 PolarHBondContact O-N 3.28Å; K1606-T1610 PolarHBondContact O-OG1 2.88Å |
| 1607 | T | 69.1 | Low | 66.8 | Low | 11 Ų | 11 | 53.1 Ų | 53.1 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -37.7 | -178.8 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | Y1603 L1604 N1609 T1610 S1611 | Y1603-T1607 HydrophobicContact CD1-CG2 4.42Å; Y1603-T1607 HydrophobicContact CE1-CG2 3.97Å; Y1603-T1607 HydrophobicContact CE2-CG2 4.29Å; Y1603-T1607 WeakPolarHBondContact O-CG2 3.41Å; Y1603-T1607 PolarHBondContact O-N 2.93Å; Y1603-T1607 PolarHBondContact O-OG1 2.99Å; L1604-T1607 WeakPolarHBondContact CA-OG1 3.39Å; L1604-T1607 PolarHBondContact O-OG1 2.69Å; L1604-T1607 VanDerWaalsContact O-OG1 3.06Å; T1607-N1609 VanDerWaalsContact C-N 3.33Å; T1607-N1609 PolarHBondContact O-N 2.96Å; T1607-T1610 PolarHBondContact O-N 3.12Å; T1607-T1610 PolarHBondContact O-OG1 3.4Å; T1607-S1611 WeakPolarHBondContact O-CB 3.22Å; T1607-S1611 PolarHBondContact O-N 3.11Å; T1607-S1611 PolarHBondContact O-OG 3.39Å |
| 1608 | Y | 68.3 | Low | 65.4 | Low | 61 Ų | 61 | 55.3 Ų | 55.3 | 24% | 0.239 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.8 | -40.4 | 171.4 | 175.1 | -98.8 | 0 | 0 | 0 | 112.8 | L1604 K1606 I1617 W1664 | L1604-Y1608 VanDerWaalsContact O-CB 3.26Å; L1604-Y1608 WeakPolarHBondContact O-CB 3.24Å; L1604-Y1608 PolarHBondContact O-N 3.16Å; K1606-Y1608 PolarHBondContact O-N 2.74Å; Y1608-I1617 HydrophobicContact CD2-CG2 3.97Å; Y1608-W1664 AromaticContact CD1-CD1 3.83Å; Y1608-W1664 AromaticContact CD1-NE1 3.41Å; Y1608-W1664 HydrophobicContact CD2-CZ2 4.12Å; Y1608-W1664 AromaticContact CD2-NE1 3.44Å; Y1608-W1664 AromaticContact CE1-CD1 3.75Å; Y1608-W1664 AromaticContact CE1-NE1 3.55Å; Y1608-W1664 AromaticContact CE2-NE1 3.56Å; Y1608-W1664 AromaticContact CG-CE2 3.97Å; Y1608-W1664 HydrophobicContact CG-CZ2 4.2Å; Y1608-W1664 AromaticContact CG-NE1 3.36Å; Y1608-W1664 AromaticContact CZ-NE1 3.62Å |
| 1609 | N | 67.1 | Low | 64.1 | Low | 88 Ų | 88 | 61.4 Ų | 61.4 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -78.8 | -31.4 | -179 | -75.6 | -63.5 | 0 | 0 | 0 | 113.5 | Y1605 K1606 T1607 | Y1605-N1609 WeakPolarHBondContact CE1-ND2 3.4Å; Y1605-N1609 WeakPolarHBondContact CE2-ND2 3.21Å; Y1605-N1609 VanDerWaalsContact CZ-ND2 3.3Å; Y1605-N1609 PolarHBondContact O-N 3.44Å; Y1605-N1609 VanDerWaalsContact O-N 3.17Å; Y1605-N1609 PolarHBondContact O-ND2 3.22Å; K1606-N1609 PolarHBondContact O-N 3.32Å; T1607-N1609 VanDerWaalsContact C-N 3.33Å; T1607-N1609 PolarHBondContact O-N 2.96Å |
| 1610 | T | 60.8 | Low | 63.2 | Low | 91 Ų | 91 | 60.7 Ų | 60.7 | 56% | 0.558 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -84.5 | -39.4 | 179.3 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | K1606 T1607 K1612 | K1606-T1610 PolarHBondContact O-N 3.28Å; K1606-T1610 PolarHBondContact O-OG1 2.88Å; T1607-T1610 PolarHBondContact O-N 3.12Å; T1607-T1610 PolarHBondContact O-OG1 3.4Å; T1610-K1612 PolarHBondContact O-N 2.94Å |
| 1611 | S | 53.7 | Low | 62.5 | Low | 35 Ų | 35 | 62.5 Ų | 62.5 | 25% | 0.245 | 33% | 0.328 | C | S | . | . | trans | -93.5 | 79.6 | -169 | 69.5 | 0 | 0 | 0 | 0 | 113.5 | T1607 K1613 | T1607-S1611 WeakPolarHBondContact O-CB 3.22Å; T1607-S1611 PolarHBondContact O-N 3.11Å; T1607-S1611 PolarHBondContact O-OG 3.39Å; S1611-K1613 PolarHBondContact O-N 3.29Å | ||
| 1612 | K | 51.1 | Low | 61.8 | Low | 119 Ų | 119 | 63.4 Ų | 63.4 | 52% | 0.517 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 15 | 176.6 | -114.3 | -170.7 | 173.6 | -163.6 | 0 | 116.3 | T1610 N2068 Q2069 I2071 | T1610-K1612 PolarHBondContact O-N 2.94Å; K1612-N2068 PolarHBondContact NZ-OD1 3.31Å; K1612-Q2069 PolarHBondContact NZ-O 3.47Å; K1612-I2071 HydrophobicContact CB-CD1 4.19Å |
| 1613 | K | 44.7 | Very low | 61.3 | Low | 192 Ų | 192 | 66 Ų | 66 | 84% | 0.835 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.7 | -8 | -171.3 | -86 | -168.1 | 172.1 | -176.2 | 0 | 117.4 | S1611 | S1611-K1613 PolarHBondContact O-N 3.29Š|
| 1614 | N | 48.5 | Very low | 61.1 | Low | 60 Ų | 60 | 68 Ų | 68 | 32% | 0.321 | 36% | 0.357 | S | S | . | . | trans | -87.8 | 120.5 | -177.8 | -76.8 | 37.3 | 0 | 0 | 0 | 110.5 | D1557 | D1557-N1614 PolarHBondContact OD1-ND2 3.43Š| ||
| 1615 | T | 51.1 | Low | 60.9 | Low | 107 Ų | 107 | 68 Ų | 68 | 66% | 0.656 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -71.2 | -38 | -167.7 | 44.7 | 0 | 0 | 0 | 0 | 114.1 | I1617 G1618 | T1615-I1617 PolarHBondContact O-N 3Å; T1615-G1618 WeakPolarHBondContact O-CA 3.43Å; T1615-G1618 PolarHBondContact O-N 2.99Å |
| 1616 | L | 50.7 | Low | 60.8 | Low | 83 Ų | 83 | 65.9 Ų | 65.9 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -61.6 | -38.9 | -171 | -70.5 | 163.3 | 0 | 0 | 0 | 114.1 | G1618 E1619 | L1616-G1618 PolarHBondContact O-N 3.38Å; L1616-E1619 PolarHBondContact O-N 3.2Å |
| 1617 | I | 54.6 | Low | 60.9 | Low | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -70.8 | -21.2 | 175.8 | -47.7 | 177.8 | 0 | 0 | 0 | 111 | I1560 Y1608 T1615 E1619 W1664 | I1560-I1617 HydrophobicContact CG2-CD1 3.71Å; I1560-I1617 HydrophobicContact CG2-CG1 3.7Å; Y1608-I1617 HydrophobicContact CD2-CG2 3.97Å; T1615-I1617 PolarHBondContact O-N 3Å; I1617-E1619 VanDerWaalsContact C-N 3.31Å; I1617-E1619 PolarHBondContact O-N 2.84Å; I1617-W1664 HydrophobicContact CG2-CH2 4.3Å; I1617-W1664 HydrophobicContact CG2-CZ2 3.8Å |
| 1618 | G | 54.5 | Low | 61.2 | Low | 47 Ų | 47 | 68 Ų | 68 | 49% | 0.485 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -63.7 | -35.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1615 L1616 L1620 K1668 | T1615-G1618 WeakPolarHBondContact O-CA 3.43Å; T1615-G1618 PolarHBondContact O-N 2.99Å; L1616-G1618 PolarHBondContact O-N 3.38Å; G1618-L1620 PolarHBondContact O-N 2.77Å; G1618-K1668 PolarHBondContact O-NZ 2.89Å |
| 1619 | E | 54.1 | Low | 61.5 | Low | 144 Ų | 144 | 65.2 Ų | 65.2 | 67% | 0.673 | 35% | 0.354 | S | S | * | . | trans | -74.2 | -21 | -168.9 | -63.9 | 178.6 | 162 | 0 | 0 | 114.6 | L1616 I1617 S1621 | L1616-E1619 PolarHBondContact O-N 3.2Å; I1617-E1619 VanDerWaalsContact C-N 3.31Å; I1617-E1619 PolarHBondContact O-N 2.84Å; E1619-S1621 PolarHBondContact O-N 3.06Å; E1619-S1621 VanDerWaalsContact O-N 3.12Å | ||
| 1620 | L | 60.9 | Low | 62 | Low | 21 Ų | 21 | 63.5 Ų | 63.5 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -62.7 | 112.2 | 179.2 | -154.9 | 81.2 | 0 | 0 | 0 | 110.5 | L1564 G1618 D1624 L1625 W1664 K1668 | L1564-L1620 HydrophobicContact CD1-CD1 4.32Å; L1564-L1620 HydrophobicContact CD1-CD2 4.47Å; L1564-L1620 HydrophobicContact CD2-CD1 4.21Å; L1564-L1620 HydrophobicContact CG-CD1 4.15Å; G1618-L1620 PolarHBondContact O-N 2.77Å; L1620-D1624 HydrophobicContact CG-CB 4.29Å; L1620-L1625 HydrophobicContact CD2-CD2 3.77Å; L1620-L1625 HydrophobicContact CD2-CG 4.1Å; L1620-W1664 HydrophobicContact CD2-CH2 4.32Å; L1620-K1668 PolarHBondContact O-NZ 3.17Å |
| 1621 | S | 64.5 | Low | 62.8 | Low | 39 Ų | 39 | 64.1 Ų | 64.1 | 27% | 0.273 | 34% | 0.341 | S | S | . | . | trans | -72.1 | 160.3 | -168.9 | 76.5 | 0 | 0 | 0 | 0 | 112.5 | E1619 N1623 D1624 L1625 | E1619-S1621 PolarHBondContact O-N 3.06Å; E1619-S1621 VanDerWaalsContact O-N 3.12Å; S1621-N1623 PolarHBondContact O-N 3.15Å; S1621-N1623 PolarHBondContact OG-N 3.12Å; S1621-D1624 VanDerWaalsContact CB-OD2 3.24Å; S1621-D1624 WeakPolarHBondContact CB-OD2 3.48Å; S1621-D1624 PolarHBondContact N-OD2 2.82Å; S1621-D1624 PolarHBondContact O-N 3.45Å; S1621-D1624 VanDerWaalsContact O-N 3.13Å; S1621-D1624 PolarHBondContact OG-N 3.19Å; S1621-D1624 VanDerWaalsContact OG-N 3.08Å; S1621-D1624 PolarHBondContact OG-OD2 3.49Å; S1621-L1625 PolarHBondContact O-N 3Å; S1621-L1625 VanDerWaalsContact O-N 3.16Å | ||
| 1622 | T | 65.8 | Low | 63.8 | Low | 18 Ų | 18 | 62.4 Ų | 62.4 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.5 | -33.4 | 169.4 | 27.6 | 0 | 0 | 0 | 0 | 111.7 | A1626 Y1665 K1668 E1672 | T1622-A1626 WeakPolarHBondContact O-CB 3.5Å; T1622-A1626 PolarHBondContact O-N 3.03Å; T1622-Y1665 WeakPolarHBondContact O-CE2 3.34Å; T1622-K1668 HydrophobicContact CG2-CB 4.42Å; T1622-K1668 HydrophobicContact CG2-CG 4.46Å; T1622-E1672 WeakPolarHBondContact CB-OE2 3.43Å; T1622-E1672 HydrophobicContact CG2-CB 4.48Å; T1622-E1672 WeakPolarHBondContact CG2-OE2 3.44Å; T1622-E1672 PolarHBondContact OG1-OE2 2.85Å |
| 1623 | N | 68.4 | Low | 64.9 | Low | 111 Ų | 111 | 57.4 Ų | 57.4 | 59% | 0.594 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67 | -38.6 | 174.1 | -65.9 | -16.3 | 0 | 0 | 0 | 112.6 | S1621 A1626 N1627 | S1621-N1623 PolarHBondContact O-N 3.15Å; S1621-N1623 PolarHBondContact OG-N 3.12Å; N1623-A1626 WeakPolarHBondContact O-CB 3.27Å; N1623-A1626 PolarHBondContact O-N 3.26Å; N1623-N1627 WeakPolarHBondContact O-CB 3.45Å; N1623-N1627 PolarHBondContact O-N 3.27Å; N1623-N1627 PolarHBondContact O-ND2 3.5Å |
| 1624 | D | 70.9 | Confident | 66.3 | Low | 60 Ų | 60 | 52.3 Ų | 52.3 | 32% | 0.321 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 178.2 | -58.1 | -51.9 | 0 | 0 | 0 | 111 | L1620 S1621 A1626 N1627 Y1628 | L1620-D1624 HydrophobicContact CG-CB 4.29Å; S1621-D1624 VanDerWaalsContact CB-OD2 3.24Å; S1621-D1624 WeakPolarHBondContact CB-OD2 3.48Å; S1621-D1624 PolarHBondContact N-OD2 2.82Å; S1621-D1624 PolarHBondContact O-N 3.45Å; S1621-D1624 VanDerWaalsContact O-N 3.13Å; S1621-D1624 PolarHBondContact OG-N 3.19Å; S1621-D1624 VanDerWaalsContact OG-N 3.08Å; S1621-D1624 PolarHBondContact OG-OD2 3.49Å; D1624-A1626 VanDerWaalsContact C-N 3.3Å; D1624-A1626 PolarHBondContact O-N 2.86Å; D1624-N1627 PolarHBondContact O-N 3.43Å; D1624-Y1628 HydrophobicContact CB-CE2 4.3Å; D1624-Y1628 WeakPolarHBondContact O-CD2 3.01Å; D1624-Y1628 PolarHBondContact O-N 3.49Å |
| 1625 | L | 72.7 | Confident | 67.4 | Low | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 172.9 | -71.2 | 172 | 0 | 0 | 0 | 112 | L1620 S1621 L1629 L1661 W1664 Y1665 K1668 | L1620-L1625 HydrophobicContact CD2-CD2 3.77Å; L1620-L1625 HydrophobicContact CD2-CG 4.1Å; S1621-L1625 PolarHBondContact O-N 3Å; S1621-L1625 VanDerWaalsContact O-N 3.16Å; L1625-L1629 WeakPolarHBondContact O-CB 3.44Å; L1625-L1629 PolarHBondContact O-N 3.39Å; L1625-L1629 VanDerWaalsContact O-N 3.09Å; L1625-L1661 HydrophobicContact CB-CD2 4.23Å; L1625-L1661 HydrophobicContact CD2-CD2 3.65Å; L1625-L1661 WeakPolarHBondContact O-CD2 3.37Å; L1625-W1664 HydrophobicContact CD2-CD2 4.17Å; L1625-W1664 HydrophobicContact CD2-CE3 3.9Å; L1625-W1664 HydrophobicContact CD2-CZ3 4.19Å; L1625-Y1665 HydrophobicContact CB-CD2 3.86Å; L1625-K1668 HydrophobicContact CD1-CB 4.45Å; L1625-K1668 HydrophobicContact CD1-CD 3.99Å |
| 1626 | A | 71.5 | Confident | 68.4 | Low | 20 Ų | 20 | 45.1 Ų | 45.1 | 17% | 0.165 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.9 | -41.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1622 N1623 D1624 Y1628 L1629 T1630 Y1665 | T1622-A1626 WeakPolarHBondContact O-CB 3.5Å; T1622-A1626 PolarHBondContact O-N 3.03Å; N1623-A1626 WeakPolarHBondContact O-CB 3.27Å; N1623-A1626 PolarHBondContact O-N 3.26Å; D1624-A1626 VanDerWaalsContact C-N 3.3Å; D1624-A1626 PolarHBondContact O-N 2.86Å; A1626-Y1628 VanDerWaalsContact C-N 3.33Å; A1626-Y1628 PolarHBondContact O-N 2.87Å; A1626-L1629 CarbonylContact O-C 3.6Å; A1626-L1629 WeakPolarHBondContact O-CA 3.48Å; A1626-L1629 WeakPolarHBondContact O-CB 3.24Å; A1626-L1629 PolarHBondContact O-N 2.95Å; A1626-L1629 VanDerWaalsContact O-N 3.11Å; A1626-T1630 PolarHBondContact O-N 3.22Å; A1626-T1630 PolarHBondContact O-OG1 2.76Å; A1626-Y1665 HydrophobicContact CB-CE2 3.95Å |
| 1627 | N | 76.4 | Confident | 69.3 | Low | 89 Ų | 89 | 44.8 Ų | 44.8 | 48% | 0.476 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.2 | -29.5 | 177.8 | -72.9 | -30.9 | 0 | 0 | 0 | 113.3 | N1623 D1624 T1630 K1631 | N1623-N1627 WeakPolarHBondContact O-CB 3.45Å; N1623-N1627 PolarHBondContact O-N 3.27Å; N1623-N1627 PolarHBondContact O-ND2 3.5Å; D1624-N1627 PolarHBondContact O-N 3.43Å; N1627-T1630 WeakPolarHBondContact CA-OG1 3.44Å; N1627-T1630 PolarHBondContact O-OG1 3.41Å; N1627-K1631 WeakPolarHBondContact O-CG 3.13Å; N1627-K1631 PolarHBondContact O-N 2.83Å |
| 1628 | Y | 75.6 | Confident | 69.9 | Low | 39 Ų | 39 | 47.5 Ų | 47.5 | 15% | 0.153 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -75.9 | -32.4 | 169.8 | -63.9 | -51.5 | 0 | 0 | 0 | 111.9 | L1567 I1571 D1624 A1626 L1632 | L1567-Y1628 HydrophobicContact CD2-CD2 3.9Å; L1567-Y1628 HydrophobicContact CD2-CE2 3.83Å; L1567-Y1628 HydrophobicContact CD2-CG 4.36Å; I1571-Y1628 HydrophobicContact CD1-CD1 3.46Å; I1571-Y1628 VanDerWaalsContact CD1-CD1 3.46Å; I1571-Y1628 HydrophobicContact CD1-CE1 4.19Å; I1571-Y1628 HydrophobicContact CD1-CG 4.03Å; D1624-Y1628 HydrophobicContact CB-CE2 4.3Å; D1624-Y1628 WeakPolarHBondContact O-CD2 3.01Å; D1624-Y1628 PolarHBondContact O-N 3.49Å; A1626-Y1628 VanDerWaalsContact C-N 3.33Å; A1626-Y1628 PolarHBondContact O-N 2.87Å; Y1628-L1632 WeakPolarHBondContact O-CB 3.17Å; Y1628-L1632 VanDerWaalsContact O-CG 3.3Å; Y1628-L1632 WeakPolarHBondContact O-CG 3.35Å; Y1628-L1632 PolarHBondContact O-N 3.39Å |
| 1629 | L | 74.5 | Confident | 70.3 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.6 | -39.1 | 174.8 | -96.3 | 155.1 | 0 | 0 | 0 | 113.8 | L1625 A1626 N1633 L1661 F1662 Y1665 L1682 L1686 | L1625-L1629 WeakPolarHBondContact O-CB 3.44Å; L1625-L1629 PolarHBondContact O-N 3.39Å; L1625-L1629 VanDerWaalsContact O-N 3.09Å; A1626-L1629 CarbonylContact O-C 3.6Å; A1626-L1629 WeakPolarHBondContact O-CA 3.48Å; A1626-L1629 WeakPolarHBondContact O-CB 3.24Å; A1626-L1629 PolarHBondContact O-N 2.95Å; A1626-L1629 VanDerWaalsContact O-N 3.11Å; L1629-N1633 VanDerWaalsContact O-CB 3.29Å; L1629-N1633 WeakPolarHBondContact O-CB 3.43Å; L1629-N1633 PolarHBondContact O-N 3.07Å; L1629-L1661 HydrophobicContact CD1-CD2 3.99Å; L1629-L1661 HydrophobicContact CG-CB 4.49Å; L1629-L1661 HydrophobicContact CG-CD2 4Å; L1629-F1662 HydrophobicContact CD1-CB 4.46Å; L1629-F1662 HydrophobicContact CD1-CD2 4.13Å; L1629-F1662 HydrophobicContact CD2-CB 4.02Å; L1629-F1662 HydrophobicContact CD2-CD2 4.14Å; L1629-Y1665 HydrophobicContact CD1-CG 4.02Å; L1629-L1682 HydrophobicContact CB-CD1 4.2Å; L1629-L1682 HydrophobicContact CB-CD2 4.32Å; L1629-L1682 HydrophobicContact CD2-CD2 4.37Å; L1629-L1686 HydrophobicContact CD2-CD1 4.13Å |
| 1630 | T | 76.1 | Confident | 70.4 | Confident | 51 Ų | 51 | 50.5 Ų | 50.5 | 31% | 0.313 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.3 | -56.9 | 172.1 | 47.2 | 0 | 0 | 0 | 0 | 109.9 | A1626 N1627 L1632 N1633 D1634 L1682 | A1626-T1630 PolarHBondContact O-N 3.22Å; A1626-T1630 PolarHBondContact O-OG1 2.76Å; N1627-T1630 WeakPolarHBondContact CA-OG1 3.44Å; N1627-T1630 PolarHBondContact O-OG1 3.41Å; T1630-L1632 VanDerWaalsContact C-N 3.3Å; T1630-L1632 PolarHBondContact O-N 2.87Å; T1630-N1633 WeakPolarHBondContact O-CA 3.27Å; T1630-N1633 WeakPolarHBondContact O-CB 3.42Å; T1630-N1633 PolarHBondContact O-N 3.48Å; T1630-D1634 PolarHBondContact O-N 3.18Å; T1630-L1682 HydrophobicContact CG2-CD1 3.58Å |
| 1631 | K | 77.6 | Confident | 70.1 | Confident | 104 Ų | 104 | 52.2 Ų | 52.2 | 45% | 0.452 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -52.7 | -44.3 | 179.2 | -73.4 | -175.7 | 176.2 | -166.3 | 0 | 112.8 | I1571 N1627 D1634 L1635 | I1571-K1631 HydrophobicContact CG2-CB 3.79Å; I1571-K1631 HydrophobicContact CG2-CD 3.81Å; I1571-K1631 HydrophobicContact CG2-CG 4.45Å; N1627-K1631 WeakPolarHBondContact O-CG 3.13Å; N1627-K1631 PolarHBondContact O-N 2.83Å; K1631-D1634 PolarHBondContact O-N 3.18Å; K1631-L1635 WeakPolarHBondContact O-CB 3.48Å; K1631-L1635 WeakPolarHBondContact O-CD1 3.42Å; K1631-L1635 WeakPolarHBondContact O-CG 3.48Å; K1631-L1635 PolarHBondContact O-N 2.87Å |
| 1632 | L | 75.2 | Confident | 69.7 | Low | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.2 | -32.5 | 177.8 | -71.6 | 169.6 | 0 | 0 | 0 | 113.8 | I1571 L1597 Y1628 T1630 D1634 L1635 L1636 L1654 T1658 L1661 | I1571-L1632 HydrophobicContact CD1-CD1 4.43Å; I1571-L1632 HydrophobicContact CD1-CG 4.44Å; I1571-L1632 HydrophobicContact CG1-CD2 4.43Å; L1597-L1632 HydrophobicContact CD2-CD2 3.68Å; Y1628-L1632 WeakPolarHBondContact O-CB 3.17Å; Y1628-L1632 VanDerWaalsContact O-CG 3.3Å; Y1628-L1632 WeakPolarHBondContact O-CG 3.35Å; Y1628-L1632 PolarHBondContact O-N 3.39Å; T1630-L1632 VanDerWaalsContact C-N 3.3Å; T1630-L1632 PolarHBondContact O-N 2.87Å; L1632-D1634 VanDerWaalsContact C-N 3.34Å; L1632-L1635 HydrophobicContact CD2-CD1 4.11Å; L1632-L1636 WeakPolarHBondContact O-CB 3.15Å; L1632-L1636 WeakPolarHBondContact O-CG 3.18Å; L1632-L1636 PolarHBondContact O-N 3.28Å; L1632-L1654 HydrophobicContact CD2-CD2 4.03Å; L1632-T1658 HydrophobicContact CB-CG2 3.54Å; L1632-T1658 HydrophobicContact CD1-CG2 4.22Å; L1632-T1658 HydrophobicContact CG-CG2 4.44Å; L1632-L1661 HydrophobicContact CD1-CD1 3.85Å |
| 1633 | N | 74.9 | Confident | 69.1 | Low | 13 Ų | 13 | 58 Ų | 58 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 171 | 170 | 91.2 | 0 | 0 | 0 | 111.7 | L1629 T1630 L1636 S1637 S1685 L1686 N1689 | L1629-N1633 VanDerWaalsContact O-CB 3.29Å; L1629-N1633 WeakPolarHBondContact O-CB 3.43Å; L1629-N1633 PolarHBondContact O-N 3.07Å; T1630-N1633 WeakPolarHBondContact O-CA 3.27Å; T1630-N1633 WeakPolarHBondContact O-CB 3.42Å; T1630-N1633 PolarHBondContact O-N 3.48Å; N1633-L1636 PolarHBondContact O-N 2.86Å; N1633-S1637 PolarHBondContact O-N 3.43Å; N1633-S1685 VanDerWaalsContact CG-OG 3.32Å; N1633-S1685 PolarHBondContact ND2-OG 3.38Å; N1633-S1685 WeakPolarHBondContact OD1-CB 3.35Å; N1633-S1685 PolarHBondContact OD1-OG 3.09Å; N1633-L1686 HydrophobicContact CB-CD2 3.94Å; N1633-L1686 HydrophobicContact CB-CG 4.47Å; N1633-L1686 PolarHBondContact OD1-N 2.8Å; N1633-N1689 PolarHBondContact O-ND2 2.9Å; N1633-N1689 PolarHBondContact OD1-ND2 3.47Å |
| 1634 | D | 74.5 | Confident | 68.6 | Low | 86 Ų | 86 | 57.4 Ų | 57.4 | 46% | 0.46 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.1 | -43.3 | -178.5 | -57.1 | -19.6 | 0 | 0 | 0 | 110.1 | T1630 K1631 L1632 L1636 S1637 S1638 | T1630-D1634 PolarHBondContact O-N 3.18Å; K1631-D1634 PolarHBondContact O-N 3.18Å; L1632-D1634 VanDerWaalsContact C-N 3.34Å; D1634-L1636 VanDerWaalsContact C-N 3.33Å; D1634-L1636 PolarHBondContact O-N 3.43Å; D1634-S1637 WeakPolarHBondContact O-CA 3.18Å; D1634-S1637 WeakPolarHBondContact O-CB 3.41Å; D1634-S1637 PolarHBondContact O-N 3.3Å; D1634-S1637 PolarHBondContact O-OG 3.06Å; D1634-S1638 PolarHBondContact O-N 2.79Å |
| 1635 | L | 71 | Confident | 68.1 | Low | 11 Ų | 11 | 59.9 Ų | 59.9 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.6 | -40.5 | 169.7 | -71.2 | 167.4 | 0 | 0 | 0 | 112.8 | I1571 F1574 C1578 K1631 L1632 S1637 S1638 F1639 | I1571-L1635 HydrophobicContact CG2-CD1 4.34Å; F1574-L1635 HydrophobicContact CB-CD1 3.73Å; F1574-L1635 HydrophobicContact CB-CD2 4.03Å; F1574-L1635 HydrophobicContact CG-CD1 4.47Å; C1578-L1635 WeakPolarHBondContact SG-CD2 3.23Å; K1631-L1635 WeakPolarHBondContact O-CB 3.48Å; K1631-L1635 WeakPolarHBondContact O-CD1 3.42Å; K1631-L1635 WeakPolarHBondContact O-CG 3.48Å; K1631-L1635 PolarHBondContact O-N 2.87Å; L1632-L1635 HydrophobicContact CD2-CD1 4.11Å; L1635-S1637 PolarHBondContact O-N 3.18Å; L1635-S1638 PolarHBondContact O-N 3.13Å; L1635-S1638 PolarHBondContact O-OG 3.07Å; L1635-S1638 VanDerWaalsContact O-OG 3.08Å; L1635-F1639 HydrophobicContact CD2-CE2 4.45Å; L1635-F1639 WeakPolarHBondContact O-CD2 3.36Å |
| 1636 | L | 71.2 | Confident | 67.5 | Low | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.4 | -16.6 | 174.1 | -80.8 | 173.3 | 0 | 0 | 0 | 113.6 | L1632 N1633 D1634 L1654 L1655 T1658 F1693 | L1632-L1636 WeakPolarHBondContact O-CB 3.15Å; L1632-L1636 WeakPolarHBondContact O-CG 3.18Å; L1632-L1636 PolarHBondContact O-N 3.28Å; N1633-L1636 PolarHBondContact O-N 2.86Å; D1634-L1636 VanDerWaalsContact C-N 3.33Å; D1634-L1636 PolarHBondContact O-N 3.43Å; L1636-L1654 HydrophobicContact CD2-CB 3.79Å; L1636-L1654 HydrophobicContact CD2-CD1 4.47Å; L1636-L1654 HydrophobicContact CG-CB 4.44Å; L1636-L1655 HydrophobicContact CD1-CD2 4.11Å; L1636-L1655 HydrophobicContact CD2-CD2 4.43Å; L1636-L1655 HydrophobicContact CD2-CG 4.36Å; L1636-T1658 HydrophobicContact CD1-CG2 3.87Å; L1636-F1693 HydrophobicContact CD2-CE2 4.11Å; L1636-F1693 HydrophobicContact CD2-CZ 4.09Å |
| 1637 | S | 69.9 | Low | 67.1 | Low | 76 Ų | 76 | 61.7 Ų | 61.7 | 53% | 0.531 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -99.1 | -21.5 | 177.5 | 76.3 | 0 | 0 | 0 | 0 | 114.4 | N1633 D1634 L1635 | N1633-S1637 PolarHBondContact O-N 3.43Å; D1634-S1637 WeakPolarHBondContact O-CA 3.18Å; D1634-S1637 WeakPolarHBondContact O-CB 3.41Å; D1634-S1637 PolarHBondContact O-N 3.3Å; D1634-S1637 PolarHBondContact O-OG 3.06Å; L1635-S1637 PolarHBondContact O-N 3.18Å |
| 1638 | S | 67.7 | Low | 66.7 | Low | 61 Ų | 61 | 58.4 Ų | 58.4 | 43% | 0.427 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -81.5 | -40.7 | -178.5 | 60.1 | 0 | 0 | 0 | 0 | 113.1 | C1578 D1634 L1635 R1640 | C1578-S1638 PolarHBondContact SG-OG 3.13Å; D1634-S1638 PolarHBondContact O-N 2.79Å; L1635-S1638 PolarHBondContact O-N 3.13Å; L1635-S1638 PolarHBondContact O-OG 3.07Å; L1635-S1638 VanDerWaalsContact O-OG 3.08Å; S1638-R1640 PolarHBondContact O-N 3.23Å |
| 1639 | F | 63.3 | Low | 66.4 | Low | 25 Ų | 25 | 60.1 Ų | 60.1 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -70 | 117.7 | 178.4 | -72.4 | -67 | 0 | 0 | 0 | 111.3 | F1574 L1577 C1578 L1635 L1641 M1650 | F1574-F1639 HydrophobicContact CD1-CE2 4.2Å; F1574-F1639 HydrophobicContact CD1-CZ 4.36Å; L1577-F1639 HydrophobicContact CB-CZ 4.48Å; C1578-F1639 WeakPolarHBondContact SG-CE2 3.48Å; C1578-F1639 WeakPolarHBondContact SG-CZ 3.44Å; L1635-F1639 HydrophobicContact CD2-CE2 4.45Å; L1635-F1639 WeakPolarHBondContact O-CD2 3.36Å; F1639-L1641 PolarHBondContact O-N 3.3Å; F1639-M1650 HydrophobicContact CB-CE 4.25Å; F1639-M1650 HydrophobicContact CD1-CE 3.76Å; F1639-M1650 HydrophobicContact CD2-CE 3.83Å; F1639-M1650 HydrophobicContact CE1-CE 4.01Å; F1639-M1650 HydrophobicContact CE2-CE 4.07Å; F1639-M1650 HydrophobicContact CE2-SD 4.49Å; F1639-M1650 HydrophobicContact CG-CE 3.68Å; F1639-M1650 HydrophobicContact CZ-CE 4.16Å; F1639-M1650 HydrophobicContact CZ-SD 4.41Å |
| 1640 | R | 56.7 | Low | 66.3 | Low | 228 Ų | 228 | 60.1 Ų | 60.1 | 86% | 0.86 | 30% | 0.304 | S | S | * | . | trans | -67.2 | 127.5 | 174.8 | -74 | -173.5 | 175.8 | -173.1 | 0.7 | 110.9 | S1638 A1642 | S1638-R1640 PolarHBondContact O-N 3.23Å; R1640-A1642 PolarHBondContact O-N 3.06Å | ||
| 1641 | L | 53.9 | Low | 66.2 | Low | 58 Ų | 58 | 58 Ų | 58 | 30% | 0.304 | 29% | 0.291 | S | S | . | . | trans | -60.2 | 95.2 | 169.9 | -91.7 | 150.9 | 0 | 0 | 0 | 111.7 | F1639 F1693 L1696 | F1639-L1641 PolarHBondContact O-N 3.3Å; L1641-F1693 HydrophobicContact CD1-CD1 3.72Å; L1641-F1693 HydrophobicContact CD1-CE1 3.66Å; L1641-F1693 HydrophobicContact CD1-CG 4.44Å; L1641-F1693 HydrophobicContact CD1-CZ 4.36Å; L1641-F1693 HydrophobicContact CD2-CD1 3.76Å; L1641-F1693 HydrophobicContact CD2-CE1 3.76Å; L1641-F1693 HydrophobicContact CG-CD1 4.07Å; L1641-F1693 HydrophobicContact CG-CE1 3.76Å; L1641-L1696 HydrophobicContact CB-CD1 3.91Å; L1641-L1696 HydrophobicContact CD1-CD1 4.09Å; L1641-L1696 HydrophobicContact CG-CD1 4.44Å | ||
| 1642 | A | 55.1 | Low | 66 | Low | 37 Ų | 37 | 53.6 Ų | 53.6 | 31% | 0.306 | 27% | 0.273 | S | S | . | . | trans | -88.7 | 165.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | R1640 D1644 V1647 | R1640-A1642 PolarHBondContact O-N 3.06Å; A1642-D1644 VanDerWaalsContact C-N 3.33Å; A1642-V1647 HydrophobicContact CB-CB 4.49Å; A1642-V1647 HydrophobicContact CB-CG1 4.49Å; A1642-V1647 HydrophobicContact CB-CG2 4.31Å | ||
| 1643 | I | 53.4 | Low | 65.8 | Low | 141 Ų | 141 | 54.4 Ų | 54.4 | 72% | 0.723 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -79.3 | -19.8 | 179.6 | -62.4 | 175.2 | 0 | 0 | 0 | 111.3 | F1645 Q1648 | I1643-F1645 PolarHBondContact O-N 3.43Å; I1643-Q1648 PolarHBondContact O-NE2 2.8Å |
| 1644 | D | 57.9 | Low | 65.9 | Low | 99 Ų | 99 | 53.9 Ų | 53.9 | 53% | 0.529 | 27% | 0.274 | S | S | . | . | trans | -60.6 | 128.2 | -174.9 | -65.7 | -71.6 | 0 | 0 | 0 | 114.3 | A1642 Q1646 V1647 Q1648 | A1642-D1644 VanDerWaalsContact C-N 3.33Å; D1644-Q1646 PolarHBondContact O-N 3.48Å; D1644-V1647 HydrophobicContact CB-CG2 4.39Å; D1644-V1647 PolarHBondContact O-N 3.01Å; D1644-Q1648 PolarHBondContact O-N 2.87Å | ||
| 1645 | F | 60.6 | Low | 65.8 | Low | 111 Ų | 111 | 50 Ų | 50 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -48.6 | -36 | -179.8 | -71.2 | -84.8 | 0 | 0 | 0 | 114 | I1643 Q1648 H1649 N1704 I1706 | I1643-F1645 PolarHBondContact O-N 3.43Å; F1645-Q1648 PolarHBondContact O-N 2.7Å; F1645-H1649 PolarHBondContact O-CD2 3.02Å; F1645-H1649 PolarHBondContact O-N 3.49Å; F1645-H1649 VanDerWaalsContact O-N 3.09Å; F1645-N1704 HydrophobicContact CE1-CB 4.41Å; F1645-I1706 HydrophobicContact CD1-CD1 4.36Å |
| 1646 | Q | 60 | Low | 65.8 | Low | 57 Ų | 57 | 49.8 Ų | 49.8 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67 | -38.5 | 177.8 | -71.7 | -163.5 | -9.6 | 0 | 0 | 112.9 | Q1584 D1588 N1591 D1644 Q1648 H1649 M1650 | Q1584-Q1646 VanDerWaalsContact NE2-CD 3.27Å; D1588-Q1646 PolarHBondContact OD1-NE2 3.33Å; D1588-Q1646 PolarHBondContact OD1-OE1 3.04Å; N1591-Q1646 PolarHBondContact ND2-O 3.17Å; N1591-Q1646 PolarHBondContact OD1-O 2.85Å; D1644-Q1646 PolarHBondContact O-N 3.48Å; Q1646-Q1648 VanDerWaalsContact C-N 3.32Å; Q1646-H1649 PolarHBondContact O-N 2.78Å; Q1646-M1650 PolarHBondContact O-N 2.88Å |
| 1647 | V | 64.3 | Low | 66 | Low | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.9 | -36.9 | 178.4 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | F1587 A1642 D1644 H1649 M1650 H1651 | F1587-V1647 HydrophobicContact CD1-CG2 3.75Å; F1587-V1647 HydrophobicContact CD2-CG2 4.44Å; F1587-V1647 HydrophobicContact CE1-CG2 3.99Å; F1587-V1647 HydrophobicContact CG-CG2 3.99Å; F1587-V1647 HydrophobicContact CZ-CG2 4.43Å; A1642-V1647 HydrophobicContact CB-CB 4.49Å; A1642-V1647 HydrophobicContact CB-CG1 4.49Å; A1642-V1647 HydrophobicContact CB-CG2 4.31Å; D1644-V1647 HydrophobicContact CB-CG2 4.39Å; D1644-V1647 PolarHBondContact O-N 3.01Å; V1647-H1649 PolarHBondContact O-N 2.92Å; V1647-M1650 PolarHBondContact O-N 3.04Å; V1647-H1651 PolarHBondContact O-CD2 2.64Å; V1647-H1651 PolarHBondContact O-N 3.12Å; V1647-H1651 VanDerWaalsContact O-N 3.09Å |
| 1648 | Q | 66.7 | Low | 66.3 | Low | 21 Ų | 21 | 46 Ų | 46 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -41.6 | 173.7 | -58.6 | -176 | -3 | 0 | 0 | 113.1 | I1643 D1644 F1645 Q1646 H1651 S1652 E1707 | I1643-Q1648 PolarHBondContact O-NE2 2.8Å; D1644-Q1648 PolarHBondContact O-N 2.87Å; F1645-Q1648 PolarHBondContact O-N 2.7Å; Q1646-Q1648 VanDerWaalsContact C-N 3.32Å; Q1648-H1651 PolarHBondContact O-N 3.32Å; Q1648-S1652 PolarHBondContact O-N 3.38Å; Q1648-E1707 VanDerWaalsContact OE1-CG 3.22Å |
| 1649 | H | 70.3 | Confident | 66.6 | Low | 75 Ų | 75 | 46.8 Ų | 46.8 | 35% | 0.347 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.3 | -50.3 | 175.1 | -92.5 | -73.3 | 0 | 0 | 0 | 112.1 | N1591 F1645 Q1646 V1647 H1651 S1652 D1653 I1706 | N1591-H1649 WeakPolarHBondContact OD1-CB 3.32Å; F1645-H1649 PolarHBondContact O-CD2 3.02Å; F1645-H1649 PolarHBondContact O-N 3.49Å; F1645-H1649 VanDerWaalsContact O-N 3.09Å; Q1646-H1649 PolarHBondContact O-N 2.78Å; V1647-H1649 PolarHBondContact O-N 2.92Å; H1649-H1651 VanDerWaalsContact C-N 3.3Å; H1649-H1651 PolarHBondContact O-N 3.33Å; H1649-S1652 PolarHBondContact O-N 3.01Å; H1649-S1652 VanDerWaalsContact O-N 3.09Å; H1649-S1652 PolarHBondContact O-OG 2.79Å; H1649-D1653 PolarHBondContact O-N 3.3Å; H1649-D1653 VanDerWaalsContact O-N 3.09Å; H1649-I1706 VanDerWaalsContact NE2-CD1 3.28Å; H1649-I1706 WeakPolarHBondContact NE2-CD1 3.28Å |
| 1650 | M | 72.9 | Confident | 67.1 | Low | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.9 | -44.2 | 177.9 | -175.2 | -178.1 | 70.3 | 0 | 0 | 111.6 | F1574 N1591 A1594 F1639 Q1646 V1647 L1654 | F1574-M1650 HydrophobicContact CE1-CG 4.33Å; F1574-M1650 HydrophobicContact CE1-SD 4.06Å; N1591-M1650 PolarHBondContact OD1-N 3.14Å; A1594-M1650 HydrophobicContact CB-CG 4.14Å; F1639-M1650 HydrophobicContact CB-CE 4.25Å; F1639-M1650 HydrophobicContact CD1-CE 3.76Å; F1639-M1650 HydrophobicContact CD2-CE 3.83Å; F1639-M1650 HydrophobicContact CE1-CE 4.01Å; F1639-M1650 HydrophobicContact CE2-CE 4.07Å; F1639-M1650 HydrophobicContact CE2-SD 4.49Å; F1639-M1650 HydrophobicContact CG-CE 3.68Å; F1639-M1650 HydrophobicContact CZ-CE 4.16Å; F1639-M1650 HydrophobicContact CZ-SD 4.41Å; Q1646-M1650 PolarHBondContact O-N 2.88Å; V1647-M1650 PolarHBondContact O-N 3.04Å; M1650-L1654 HydrophobicContact CG-CD1 4.04Å; M1650-L1654 WeakPolarHBondContact O-CB 3.26Å; M1650-L1654 VanDerWaalsContact O-CG 3.26Å; M1650-L1654 WeakPolarHBondContact O-CG 3.29Å; M1650-L1654 PolarHBondContact O-N 2.95Å |
| 1651 | H | 73.6 | Confident | 68 | Low | 6 Ų | 6 | 35.5 Ų | 35.5 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.5 | -36 | 176 | -73.3 | -64.3 | 0 | 0 | 0 | 113.3 | V1647 Q1648 H1649 L1654 L1655 F1693 | V1647-H1651 PolarHBondContact O-CD2 2.64Å; V1647-H1651 PolarHBondContact O-N 3.12Å; V1647-H1651 VanDerWaalsContact O-N 3.09Å; Q1648-H1651 PolarHBondContact O-N 3.32Å; H1649-H1651 VanDerWaalsContact C-N 3.3Å; H1649-H1651 PolarHBondContact O-N 3.33Å; H1651-L1654 PolarHBondContact O-N 2.94Å; H1651-L1655 WeakPolarHBondContact O-CB 3.49Å; H1651-L1655 VanDerWaalsContact O-CG 3.27Å; H1651-L1655 WeakPolarHBondContact O-CG 3.16Å; H1651-L1655 PolarHBondContact O-N 3Å; H1651-F1693 HydrophobicContact CB-CE1 4Å; H1651-F1693 AromaticContact CD2-CE1 3.97Å; H1651-F1693 AromaticContact CE1-CE1 3.73Å; H1651-F1693 AromaticContact CE1-CZ 3.76Å; H1651-F1693 AromaticContact CG-CE1 3.6Å; H1651-F1693 AromaticContact ND1-CE1 3.45Å; H1651-F1693 WeakPolarHBondContact ND1-CE1 3.29Å; H1651-F1693 AromaticContact ND1-CZ 3.45Å; H1651-F1693 WeakPolarHBondContact ND1-CZ 3.49Å |
| 1652 | S | 72 | Confident | 69 | Low | 12 Ų | 12 | 32.8 Ų | 32.8 | 8% | 0.084 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.7 | -39.5 | 179.7 | 74.8 | 0 | 0 | 0 | 0 | 112.3 | Q1648 H1649 L1655 A1656 | Q1648-S1652 PolarHBondContact O-N 3.38Å; H1649-S1652 PolarHBondContact O-N 3.01Å; H1649-S1652 VanDerWaalsContact O-N 3.09Å; H1649-S1652 PolarHBondContact O-OG 2.79Å; S1652-L1655 PolarHBondContact O-N 3.22Å; S1652-A1656 WeakPolarHBondContact O-CB 3.32Å; S1652-A1656 PolarHBondContact O-N 3.08Å |
| 1653 | D | 72.6 | Confident | 69.9 | Low | 17 Ų | 17 | 31.4 Ų | 31.4 | 9% | 0.091 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.6 | -35.5 | 172.5 | -89.2 | -52.9 | 0 | 0 | 0 | 112.7 | A1594 T1595 N1598 H1649 S1657 | A1594-D1653 HydrophobicContact CB-CB 3.71Å; T1595-D1653 WeakPolarHBondContact CG2-OD2 3.23Å; N1598-D1653 HydrophobicContact CB-CB 4.44Å; N1598-D1653 PolarHBondContact ND2-OD1 2.92Å; H1649-D1653 PolarHBondContact O-N 3.3Å; H1649-D1653 VanDerWaalsContact O-N 3.09Å; D1653-S1657 VanDerWaalsContact O-CB 3.28Å; D1653-S1657 WeakPolarHBondContact O-CB 3.44Å; D1653-S1657 PolarHBondContact O-N 2.99Å; D1653-S1657 PolarHBondContact O-OG 2.9Å |
| 1654 | L | 75.8 | Confident | 70.9 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.6 | -35.8 | 173.8 | -72.1 | 170.9 | 0 | 0 | 0 | 112.5 | F1574 L1597 L1632 L1636 M1650 H1651 S1657 T1658 | F1574-L1654 HydrophobicContact CE2-CD2 4.41Å; F1574-L1654 HydrophobicContact CZ-CD2 4.3Å; L1597-L1654 HydrophobicContact CD2-CD2 4.03Å; L1632-L1654 HydrophobicContact CD2-CD2 4.03Å; L1636-L1654 HydrophobicContact CD2-CB 3.79Å; L1636-L1654 HydrophobicContact CD2-CD1 4.47Å; L1636-L1654 HydrophobicContact CG-CB 4.44Å; M1650-L1654 HydrophobicContact CG-CD1 4.04Å; M1650-L1654 WeakPolarHBondContact O-CB 3.26Å; M1650-L1654 VanDerWaalsContact O-CG 3.26Å; M1650-L1654 WeakPolarHBondContact O-CG 3.29Å; M1650-L1654 PolarHBondContact O-N 2.95Å; H1651-L1654 PolarHBondContact O-N 2.94Å; L1654-S1657 PolarHBondContact O-N 2.96Å; L1654-T1658 WeakPolarHBondContact O-CG2 3.43Å; L1654-T1658 PolarHBondContact O-N 3.27Å; L1654-T1658 PolarHBondContact O-OG1 3.15Å |
| 1655 | L | 74 | Confident | 71.7 | Confident | 6 Ų | 6 | 20.9 Ų | 20.9 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.4 | -38.7 | 172.5 | -75.5 | 169.8 | 0 | 0 | 0 | 111.9 | L1636 H1651 S1652 T1658 Y1659 F1693 | L1636-L1655 HydrophobicContact CD1-CD2 4.11Å; L1636-L1655 HydrophobicContact CD2-CD2 4.43Å; L1636-L1655 HydrophobicContact CD2-CG 4.36Å; H1651-L1655 WeakPolarHBondContact O-CB 3.49Å; H1651-L1655 VanDerWaalsContact O-CG 3.27Å; H1651-L1655 WeakPolarHBondContact O-CG 3.16Å; H1651-L1655 PolarHBondContact O-N 3Å; S1652-L1655 PolarHBondContact O-N 3.22Å; L1655-T1658 WeakPolarHBondContact CA-OG1 3.42Å; L1655-T1658 PolarHBondContact O-OG1 2.68Å; L1655-T1658 VanDerWaalsContact O-OG1 3.14Å; L1655-Y1659 WeakPolarHBondContact O-CB 3.48Å; L1655-Y1659 PolarHBondContact O-N 3.09Å; L1655-F1693 HydrophobicContact CD1-CD2 4.28Å; L1655-F1693 HydrophobicContact CD1-CG 4.24Å; L1655-F1693 HydrophobicContact CD2-CD2 4.33Å |
| 1656 | A | 70.6 | Confident | 72.2 | Confident | 5 Ų | 5 | 16.1 Ų | 16.1 | 4% | 0.041 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.8 | -46 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1652 T1658 Y1659 I1660 | S1652-A1656 WeakPolarHBondContact O-CB 3.32Å; S1652-A1656 PolarHBondContact O-N 3.08Å; A1656-T1658 PolarHBondContact O-N 3.39Å; A1656-Y1659 PolarHBondContact O-N 3.31Å; A1656-I1660 WeakPolarHBondContact O-CD1 3.31Å; A1656-I1660 VanDerWaalsContact O-CG1 3.29Å; A1656-I1660 WeakPolarHBondContact O-CG1 3.47Å; A1656-I1660 PolarHBondContact O-N 3.01Å |
| 1657 | S | 75.6 | Confident | 72.7 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.5 | -47.2 | 177.5 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | N1598 D1653 L1654 I1660 L1661 | N1598-S1657 WeakPolarHBondContact CA-OG 3.44Å; N1598-S1657 WeakPolarHBondContact CB-OG 3.34Å; N1598-S1657 PolarHBondContact N-OG 3.43Å; D1653-S1657 VanDerWaalsContact O-CB 3.28Å; D1653-S1657 WeakPolarHBondContact O-CB 3.44Å; D1653-S1657 PolarHBondContact O-N 2.99Å; D1653-S1657 PolarHBondContact O-OG 2.9Å; L1654-S1657 PolarHBondContact O-N 2.96Å; S1657-I1660 PolarHBondContact O-N 3.06Å; S1657-L1661 WeakPolarHBondContact O-CB 3.47Å; S1657-L1661 PolarHBondContact O-N 3.05Å |
| 1658 | T | 76 | Confident | 72.8 | Confident | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.006 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.2 | -37.5 | 177.4 | 46.1 | 0 | 0 | 0 | 0 | 112.7 | L1632 L1636 L1654 L1655 A1656 L1661 F1662 | L1632-T1658 HydrophobicContact CB-CG2 3.54Å; L1632-T1658 HydrophobicContact CD1-CG2 4.22Å; L1632-T1658 HydrophobicContact CG-CG2 4.44Å; L1636-T1658 HydrophobicContact CD1-CG2 3.87Å; L1654-T1658 WeakPolarHBondContact O-CG2 3.43Å; L1654-T1658 PolarHBondContact O-N 3.27Å; L1654-T1658 PolarHBondContact O-OG1 3.15Å; L1655-T1658 WeakPolarHBondContact CA-OG1 3.42Å; L1655-T1658 PolarHBondContact O-OG1 2.68Å; L1655-T1658 VanDerWaalsContact O-OG1 3.14Å; A1656-T1658 PolarHBondContact O-N 3.39Å; T1658-L1661 PolarHBondContact O-N 2.87Å; T1658-F1662 WeakPolarHBondContact O-CB 3.39Å; T1658-F1662 PolarHBondContact O-N 3.1Å |
| 1659 | Y | 74 | Confident | 72.9 | Confident | 78 Ų | 78 | 16.9 Ų | 16.9 | 31% | 0.306 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | -59 | -46.9 | 170.9 | 175.3 | -93.1 | 0 | 0 | 0 | 111.6 | L1655 A1656 S1663 L1717 F1720 | L1655-Y1659 WeakPolarHBondContact O-CB 3.48Å; L1655-Y1659 PolarHBondContact O-N 3.09Å; A1656-Y1659 PolarHBondContact O-N 3.31Å; Y1659-S1663 VanDerWaalsContact O-CB 3.27Å; Y1659-S1663 WeakPolarHBondContact O-CB 3.27Å; Y1659-S1663 PolarHBondContact O-N 2.91Å; Y1659-L1717 HydrophobicContact CD2-CD1 4.18Å; Y1659-F1720 HydrophobicContact CE2-CB 4.34Å; Y1659-F1720 HydrophobicContact CE2-CG 4.37Å |
| 1660 | I | 74 | Confident | 72.6 | Confident | 17 Ų | 17 | 17.1 Ų | 17.1 | 9% | 0.087 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.1 | -50.8 | 178.5 | -66.6 | 159.8 | 0 | 0 | 0 | 110.5 | N1598 L1601 V1602 Y1605 A1656 S1657 F1662 S1663 W1664 | N1598-I1660 WeakPolarHBondContact OD1-CD1 3.24Å; L1601-I1660 HydrophobicContact CB-CG2 4.21Å; V1602-I1660 HydrophobicContact CG2-CD1 3.56Å; Y1605-I1660 HydrophobicContact CG-CG2 4.23Å; A1656-I1660 WeakPolarHBondContact O-CD1 3.31Å; A1656-I1660 VanDerWaalsContact O-CG1 3.29Å; A1656-I1660 WeakPolarHBondContact O-CG1 3.47Å; A1656-I1660 PolarHBondContact O-N 3.01Å; S1657-I1660 PolarHBondContact O-N 3.06Å; I1660-F1662 PolarHBondContact O-N 3.19Å; I1660-S1663 WeakPolarHBondContact O-CB 3.37Å; I1660-S1663 PolarHBondContact O-N 3.5Å; I1660-S1663 VanDerWaalsContact O-N 3.13Å; I1660-S1663 PolarHBondContact O-OG 3.34Å; I1660-W1664 PolarHBondContact O-N 2.96Å |
| 1661 | L | 74.4 | Confident | 71.9 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.2 | -39.1 | -177.5 | -139.2 | 162.3 | 0 | 0 | 0 | 111.6 | L1601 L1625 L1629 L1632 S1657 T1658 W1664 Y1665 | L1601-L1661 HydrophobicContact CD1-CD1 4.15Å; L1601-L1661 HydrophobicContact CD2-CD1 3.89Å; L1601-L1661 HydrophobicContact CD2-CG 4.15Å; L1625-L1661 HydrophobicContact CB-CD2 4.23Å; L1625-L1661 HydrophobicContact CD2-CD2 3.65Å; L1625-L1661 WeakPolarHBondContact O-CD2 3.37Å; L1629-L1661 HydrophobicContact CD1-CD2 3.99Å; L1629-L1661 HydrophobicContact CG-CB 4.49Å; L1629-L1661 HydrophobicContact CG-CD2 4Å; L1632-L1661 HydrophobicContact CD1-CD1 3.85Å; S1657-L1661 WeakPolarHBondContact O-CB 3.47Å; S1657-L1661 PolarHBondContact O-N 3.05Å; T1658-L1661 PolarHBondContact O-N 2.87Å; L1661-W1664 PolarHBondContact O-N 3.31Å; L1661-Y1665 WeakPolarHBondContact O-CB 3.35Å; L1661-Y1665 PolarHBondContact O-N 3.03Å |
| 1662 | F | 75.1 | Confident | 71 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.6 | -37.3 | 172.4 | -166.9 | -109.1 | 0 | 0 | 0 | 112.4 | L1629 T1658 I1660 W1664 N1666 F1679 Q1683 L1686 F1720 L1721 | L1629-F1662 HydrophobicContact CD1-CB 4.46Å; L1629-F1662 HydrophobicContact CD1-CD2 4.13Å; L1629-F1662 HydrophobicContact CD2-CB 4.02Å; L1629-F1662 HydrophobicContact CD2-CD2 4.14Å; T1658-F1662 WeakPolarHBondContact O-CB 3.39Å; T1658-F1662 PolarHBondContact O-N 3.1Å; I1660-F1662 PolarHBondContact O-N 3.19Å; F1662-W1664 VanDerWaalsContact C-N 3.31Å; F1662-W1664 PolarHBondContact O-N 3.44Å; F1662-N1666 WeakPolarHBondContact O-CB 3.47Å; F1662-N1666 PolarHBondContact O-N 2.92Å; F1662-F1679 HydrophobicContact CE2-CD2 4.41Å; F1662-F1679 AromaticContact CE2-CE2 3.52Å; F1662-F1679 HydrophobicContact CE2-CE2 3.52Å; F1662-F1679 HydrophobicContact CE2-CZ 4.01Å; F1662-F1679 AromaticContact CZ-CE2 3.75Å; F1662-F1679 HydrophobicContact CZ-CE2 3.75Å; F1662-F1679 AromaticContact CZ-CZ 3.72Å; F1662-F1679 HydrophobicContact CZ-CZ 3.72Å; F1662-Q1683 HydrophobicContact CE2-CG 4.18Å; F1662-Q1683 HydrophobicContact CZ-CG 3.78Å; F1662-L1686 HydrophobicContact CD2-CD1 4.25Å; F1662-F1720 AromaticContact CD1-CD1 3.91Å; F1662-F1720 HydrophobicContact CD1-CD1 3.91Å; F1662-F1720 AromaticContact CD1-CE1 3.6Å; F1662-F1720 HydrophobicContact CD1-CE1 3.6Å; F1662-F1720 AromaticContact CE1-CD1 3.94Å; F1662-F1720 HydrophobicContact CE1-CD1 3.94Å; F1662-F1720 AromaticContact CE1-CE1 3.64Å; F1662-F1720 HydrophobicContact CE1-CE1 3.64Å; F1662-L1721 HydrophobicContact CD1-CD2 4.47Å; F1662-L1721 HydrophobicContact CE1-CD2 3.65Å; F1662-L1721 HydrophobicContact CZ-CD2 3.87Å |
| 1663 | S | 74.6 | Confident | 70 | Confident | 8 Ų | 8 | 34.2 Ų | 34.2 | 6% | 0.056 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.7 | -37.9 | 174.1 | 87.7 | 0 | 0 | 0 | 0 | 111.7 | Y1659 I1660 S1667 K2063 | Y1659-S1663 VanDerWaalsContact O-CB 3.27Å; Y1659-S1663 WeakPolarHBondContact O-CB 3.27Å; Y1659-S1663 PolarHBondContact O-N 2.91Å; I1660-S1663 WeakPolarHBondContact O-CB 3.37Å; I1660-S1663 PolarHBondContact O-N 3.5Å; I1660-S1663 VanDerWaalsContact O-N 3.13Å; I1660-S1663 PolarHBondContact O-OG 3.34Å; S1663-S1667 WeakPolarHBondContact O-CB 3.39Å; S1663-S1667 PolarHBondContact O-N 3.08Å; S1663-S1667 PolarHBondContact O-OG 3.33Å; S1663-K2063 PolarHBondContact O-NZ 3.36Å |
| 1664 | W | 74.6 | Confident | 69 | Low | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.6 | -50.9 | 177.3 | -168.1 | 10.4 | 0 | 0 | 0 | 111.4 | L1604 Y1605 Y1608 I1617 L1620 L1625 I1660 L1661 F1662 N1666 S1667 K1668 | L1604-W1664 HydrophobicContact CB-CH2 4.06Å; L1604-W1664 HydrophobicContact CB-CZ3 4.08Å; Y1605-W1664 HydrophobicContact CD2-CB 3.86Å; Y1605-W1664 HydrophobicContact CD2-CD2 4.38Å; Y1605-W1664 AromaticContact CD2-CG 3.9Å; Y1605-W1664 HydrophobicContact CD2-CG 3.9Å; Y1605-W1664 HydrophobicContact CE2-CB 4.01Å; Y1605-W1664 HydrophobicContact CE2-CG 4.29Å; Y1608-W1664 AromaticContact CD1-CD1 3.83Å; Y1608-W1664 AromaticContact CD1-NE1 3.41Å; Y1608-W1664 HydrophobicContact CD2-CZ2 4.12Å; Y1608-W1664 AromaticContact CD2-NE1 3.44Å; Y1608-W1664 AromaticContact CE1-CD1 3.75Å; Y1608-W1664 AromaticContact CE1-NE1 3.55Å; Y1608-W1664 AromaticContact CE2-NE1 3.56Å; Y1608-W1664 AromaticContact CG-CE2 3.97Å; Y1608-W1664 HydrophobicContact CG-CZ2 4.2Å; Y1608-W1664 AromaticContact CG-NE1 3.36Å; Y1608-W1664 AromaticContact CZ-NE1 3.62Å; I1617-W1664 HydrophobicContact CG2-CH2 4.3Å; I1617-W1664 HydrophobicContact CG2-CZ2 3.8Å; L1620-W1664 HydrophobicContact CD2-CH2 4.32Å; L1625-W1664 HydrophobicContact CD2-CD2 4.17Å; L1625-W1664 HydrophobicContact CD2-CE3 3.9Å; L1625-W1664 HydrophobicContact CD2-CZ3 4.19Å; I1660-W1664 PolarHBondContact O-N 2.96Å; L1661-W1664 PolarHBondContact O-N 3.31Å; F1662-W1664 VanDerWaalsContact C-N 3.31Å; F1662-W1664 PolarHBondContact O-N 3.44Å; W1664-N1666 PolarHBondContact O-N 3.43Å; W1664-S1667 CarbonylContact O-C 3.57Å; W1664-S1667 WeakPolarHBondContact O-CA 3.47Å; W1664-S1667 PolarHBondContact O-N 3.1Å; W1664-K1668 PolarHBondContact O-N 2.94Å |
| 1665 | Y | 74.2 | Confident | 67.7 | Low | 18 Ų | 18 | 42.8 Ų | 42.8 | 7% | 0.071 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -53.5 | -51.5 | 175.8 | 175.3 | -91 | 0 | 0 | 0 | 112 | T1622 L1625 A1626 L1629 L1661 S1667 K1668 R1669 F1679 | T1622-Y1665 WeakPolarHBondContact O-CE2 3.34Å; L1625-Y1665 HydrophobicContact CB-CD2 3.86Å; A1626-Y1665 HydrophobicContact CB-CE2 3.95Å; L1629-Y1665 HydrophobicContact CD1-CG 4.02Å; L1661-Y1665 WeakPolarHBondContact O-CB 3.35Å; L1661-Y1665 PolarHBondContact O-N 3.03Å; Y1665-S1667 VanDerWaalsContact C-N 3.25Å; Y1665-S1667 PolarHBondContact O-N 3.12Å; Y1665-K1668 PolarHBondContact O-N 3.22Å; Y1665-K1668 VanDerWaalsContact O-N 3.11Å; Y1665-R1669 HydrophobicContact CE1-CB 4.32Å; Y1665-R1669 WeakPolarHBondContact O-CB 3.36Å; Y1665-R1669 PolarHBondContact O-N 3.19Å; Y1665-F1679 HydrophobicContact CD1-CD2 4.29Å; Y1665-F1679 AromaticContact CD1-CE2 3.91Å; Y1665-F1679 HydrophobicContact CD1-CE2 3.91Å; Y1665-F1679 AromaticContact CE1-CD2 3.48Å; Y1665-F1679 HydrophobicContact CE1-CD2 3.48Å; Y1665-F1679 VanDerWaalsContact CE1-CD2 3.48Å; Y1665-F1679 AromaticContact CE1-CE2 3.49Å; Y1665-F1679 HydrophobicContact CE1-CE2 3.49Å; Y1665-F1679 VanDerWaalsContact CE1-CE2 3.49Å |
| 1666 | N | 71.4 | Confident | 66.7 | Low | 11 Ų | 11 | 46 Ų | 46 | 6% | 0.059 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.6 | -38 | 177.6 | -174.8 | -19.2 | 0 | 0 | 0 | 111 | F1662 W1664 L1670 H1724 | F1662-N1666 WeakPolarHBondContact O-CB 3.47Å; F1662-N1666 PolarHBondContact O-N 2.92Å; W1664-N1666 PolarHBondContact O-N 3.43Å; N1666-L1670 VanDerWaalsContact O-CG 3.28Å; N1666-L1670 WeakPolarHBondContact O-CG 3.43Å; N1666-L1670 PolarHBondContact O-N 2.86Å; N1666-H1724 PolarHBondContact ND2-NE2 3.04Å; N1666-H1724 VanDerWaalsContact ND2-NE2 3.15Å |
| 1667 | S | 70.3 | Confident | 66.1 | Low | 30 Ų | 30 | 52.6 Ų | 52.6 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -74.3 | -23.5 | 177.9 | -50.7 | 0 | 0 | 0 | 0 | 114.1 | S1663 W1664 Y1665 N1671 K2063 | S1663-S1667 WeakPolarHBondContact O-CB 3.39Å; S1663-S1667 PolarHBondContact O-N 3.08Å; S1663-S1667 PolarHBondContact O-OG 3.33Å; W1664-S1667 CarbonylContact O-C 3.57Å; W1664-S1667 WeakPolarHBondContact O-CA 3.47Å; W1664-S1667 PolarHBondContact O-N 3.1Å; Y1665-S1667 VanDerWaalsContact C-N 3.25Å; Y1665-S1667 PolarHBondContact O-N 3.12Å; S1667-N1671 PolarHBondContact O-ND2 2.83Å; S1667-N1671 VanDerWaalsContact O-ND2 3.15Å; S1667-K2063 PolarHBondContact OG-NZ 3.47Å |
| 1668 | K | 67.1 | Low | 65.4 | Low | 11 Ų | 11 | 60.1 Ų | 60.1 | 5% | 0.048 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -84.7 | -43.1 | 173.2 | -152.7 | 168.9 | -176.1 | 176.7 | 0 | 111.3 | G1618 L1620 T1622 L1625 W1664 Y1665 L1670 N1671 E1672 | G1618-K1668 PolarHBondContact O-NZ 2.89Å; L1620-K1668 PolarHBondContact O-NZ 3.17Å; T1622-K1668 HydrophobicContact CG2-CB 4.42Å; T1622-K1668 HydrophobicContact CG2-CG 4.46Å; L1625-K1668 HydrophobicContact CD1-CB 4.45Å; L1625-K1668 HydrophobicContact CD1-CD 3.99Å; W1664-K1668 PolarHBondContact O-N 2.94Å; Y1665-K1668 PolarHBondContact O-N 3.22Å; Y1665-K1668 VanDerWaalsContact O-N 3.11Å; K1668-L1670 VanDerWaalsContact C-N 3.28Å; K1668-L1670 PolarHBondContact O-N 3.34Å; K1668-N1671 WeakPolarHBondContact O-CB 3.02Å; K1668-N1671 PolarHBondContact O-N 3.5Å; K1668-E1672 PolarHBondContact O-N 3.39Å |
| 1669 | R | 68.5 | Low | 64.9 | Low | 55 Ų | 55 | 61.3 Ų | 61.3 | 21% | 0.208 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.9 | -30.8 | 173.1 | -172.1 | 179.6 | 179.6 | -150.9 | -0.4 | 113.6 | Y1665 N1671 E1672 T1674 | Y1665-R1669 HydrophobicContact CE1-CB 4.32Å; Y1665-R1669 WeakPolarHBondContact O-CB 3.36Å; Y1665-R1669 PolarHBondContact O-N 3.19Å; R1669-N1671 PolarHBondContact O-N 3.26Å; R1669-E1672 CarbonylContact O-C 3.43Å; R1669-E1672 PolarHBondContact O-N 3.4Å; R1669-E1672 VanDerWaalsContact O-N 3.17Å; R1669-T1674 PolarHBondContact NE-O 3.47Å; R1669-T1674 PolarHBondContact NH2-O 3.2Å |
| 1670 | L | 63.4 | Low | 64.5 | Low | 80 Ų | 80 | 64.4 Ų | 64.4 | 42% | 0.419 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15.4 | 172.5 | -78.5 | 168.3 | 0 | 0 | 0 | 113.8 | N1666 K1668 I2066 | N1666-L1670 VanDerWaalsContact O-CG 3.28Å; N1666-L1670 WeakPolarHBondContact O-CG 3.43Å; N1666-L1670 PolarHBondContact O-N 2.86Å; K1668-L1670 VanDerWaalsContact C-N 3.28Å; K1668-L1670 PolarHBondContact O-N 3.34Å; L1670-I2066 HydrophobicContact CB-CD1 4.18Å |
| 1671 | N | 58.6 | Low | 64.2 | Low | 93 Ų | 93 | 69.4 Ų | 69.4 | 50% | 0.497 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -36.9 | 169.4 | -52.4 | -53.6 | 0 | 0 | 0 | 112.1 | S1667 K1668 R1669 I2066 | S1667-N1671 PolarHBondContact O-ND2 2.83Å; S1667-N1671 VanDerWaalsContact O-ND2 3.15Å; K1668-N1671 WeakPolarHBondContact O-CB 3.02Å; K1668-N1671 PolarHBondContact O-N 3.5Å; R1669-N1671 PolarHBondContact O-N 3.26Å; N1671-I2066 WeakPolarHBondContact OD1-CD1 3.45Å |
| 1672 | E | 55.4 | Low | 63.8 | Low | 76 Ų | 76 | 70.6 Ų | 70.6 | 36% | 0.355 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -99.8 | 99.1 | -175.6 | -71.1 | 168.7 | -144.8 | 0 | 0 | 111.4 | T1622 K1668 R1669 T1674 | T1622-E1672 WeakPolarHBondContact CB-OE2 3.43Å; T1622-E1672 HydrophobicContact CG2-CB 4.48Å; T1622-E1672 WeakPolarHBondContact CG2-OE2 3.44Å; T1622-E1672 PolarHBondContact OG1-OE2 2.85Å; K1668-E1672 PolarHBondContact O-N 3.39Å; R1669-E1672 CarbonylContact O-C 3.43Å; R1669-E1672 PolarHBondContact O-N 3.4Å; R1669-E1672 VanDerWaalsContact O-N 3.17Å; E1672-T1674 PolarHBondContact O-N 3.32Å |
| 1673 | K | 51 | Low | 63.5 | Low | 211 Ų | 211 | 70.8 Ų | 70.8 | 92% | 0.917 | 36% | 0.358 | S | S | * | . | trans | -73.1 | 81.1 | -174.2 | -65.8 | -176.7 | 179.4 | 179.7 | 0 | 113.7 | ||||
| 1674 | T | 50.6 | Low | 63.3 | Low | 65 Ų | 65 | 72.7 Ų | 72.7 | 40% | 0.399 | 37% | 0.372 | S | S | . | . | trans | -118.6 | 150.4 | 167.8 | 71.1 | 0 | 0 | 0 | 0 | 113 | R1669 E1672 D1676 | R1669-T1674 PolarHBondContact NE-O 3.47Å; R1669-T1674 PolarHBondContact NH2-O 3.2Å; E1672-T1674 PolarHBondContact O-N 3.32Å; T1674-D1676 WeakPolarHBondContact CB-OD2 3.44Å; T1674-D1676 PolarHBondContact OG1-OD2 3.02Å | ||
| 1675 | T | 47.6 | Very low | 63.2 | Low | 133 Ų | 133 | 74 Ų | 74 | 82% | 0.816 | 38% | 0.381 | S | S | * | . | trans | -121.5 | 95.4 | -177.6 | 49.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1676 | D | 54.2 | Low | 63 | Low | 74 Ų | 74 | 73.3 Ų | 73.3 | 40% | 0.396 | 38% | 0.379 | S | S | . | . | trans | -122.2 | 119.4 | -172.9 | -56.4 | -75.1 | 0 | 0 | 0 | 110.5 | T1674 Q1678 F1679 | T1674-D1676 WeakPolarHBondContact CB-OD2 3.44Å; T1674-D1676 PolarHBondContact OG1-OD2 3.02Å; D1676-Q1678 PolarHBondContact O-N 2.94Å; D1676-Q1678 VanDerWaalsContact O-N 3.13Å; D1676-F1679 WeakPolarHBondContact O-CB 3.35Å; D1676-F1679 PolarHBondContact O-N 3.5Å | ||
| 1677 | D | 58.4 | Low | 63 | Low | 143 Ų | 143 | 73 Ų | 73 | 77% | 0.765 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25 | -177.7 | -56.2 | -35.6 | 0 | 0 | 0 | 112.7 | F1679 E1680 L1681 | D1677-F1679 PolarHBondContact O-N 3.14Å; D1677-F1679 VanDerWaalsContact O-N 3.15Å; D1677-E1680 PolarHBondContact O-N 3.26Å; D1677-L1681 PolarHBondContact O-N 3.37Å |
| 1678 | Q | 59.4 | Low | 63.1 | Low | 158 Ų | 158 | 74 Ų | 74 | 74% | 0.738 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -55.4 | -29.3 | 174.2 | -64.2 | -176.8 | -6 | 0 | 0 | 112.6 | D1676 L1682 | D1676-Q1678 PolarHBondContact O-N 2.94Å; D1676-Q1678 VanDerWaalsContact O-N 3.13Å; Q1678-L1682 VanDerWaalsContact O-CB 3.29Å; Q1678-L1682 WeakPolarHBondContact O-CB 3.46Å; Q1678-L1682 PolarHBondContact O-N 3.25Å |
| 1679 | F | 65.6 | Low | 63.3 | Low | 26 Ų | 26 | 75 Ų | 75 | 11% | 0.114 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -69.8 | -42.1 | 178.7 | -179.4 | -102.1 | 0 | 0 | 0 | 112.9 | F1662 Y1665 D1676 D1677 L1681 L1682 Q1683 | F1662-F1679 HydrophobicContact CE2-CD2 4.41Å; F1662-F1679 AromaticContact CE2-CE2 3.52Å; F1662-F1679 HydrophobicContact CE2-CE2 3.52Å; F1662-F1679 HydrophobicContact CE2-CZ 4.01Å; F1662-F1679 AromaticContact CZ-CE2 3.75Å; F1662-F1679 HydrophobicContact CZ-CE2 3.75Å; F1662-F1679 AromaticContact CZ-CZ 3.72Å; F1662-F1679 HydrophobicContact CZ-CZ 3.72Å; Y1665-F1679 HydrophobicContact CD1-CD2 4.29Å; Y1665-F1679 AromaticContact CD1-CE2 3.91Å; Y1665-F1679 HydrophobicContact CD1-CE2 3.91Å; Y1665-F1679 AromaticContact CE1-CD2 3.48Å; Y1665-F1679 HydrophobicContact CE1-CD2 3.48Å; Y1665-F1679 VanDerWaalsContact CE1-CD2 3.48Å; Y1665-F1679 AromaticContact CE1-CE2 3.49Å; Y1665-F1679 HydrophobicContact CE1-CE2 3.49Å; Y1665-F1679 VanDerWaalsContact CE1-CE2 3.49Å; D1676-F1679 WeakPolarHBondContact O-CB 3.35Å; D1676-F1679 PolarHBondContact O-N 3.5Å; D1677-F1679 PolarHBondContact O-N 3.14Å; D1677-F1679 VanDerWaalsContact O-N 3.15Å; F1679-L1681 VanDerWaalsContact C-N 3.3Å; F1679-L1681 PolarHBondContact O-N 2.98Å; F1679-L1682 PolarHBondContact O-N 3.31Å; F1679-Q1683 HydrophobicContact CD1-CG 4.23Å; F1679-Q1683 HydrophobicContact CE1-CG 3.95Å; F1679-Q1683 HydrophobicContact CE2-CG 4.37Å; F1679-Q1683 HydrophobicContact CZ-CG 4.03Å; F1679-Q1683 WeakPolarHBondContact O-CB 3.41Å; F1679-Q1683 WeakPolarHBondContact O-CG 3.47Å; F1679-Q1683 PolarHBondContact O-N 2.83Å |
| 1680 | E | 66.3 | Low | 63.4 | Low | 142 Ų | 142 | 72.4 Ų | 72.4 | 66% | 0.664 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.9 | -38.8 | 177 | -64.4 | -163.5 | 165.2 | 0 | 0 | 110.6 | D1677 Q1683 S1684 | D1677-E1680 PolarHBondContact O-N 3.26Å; E1680-Q1683 PolarHBondContact O-N 3.44Å; E1680-S1684 WeakPolarHBondContact O-CB 3.35Å; E1680-S1684 PolarHBondContact O-N 3.2Å |
| 1681 | L | 67.6 | Low | 63.8 | Low | 123 Ų | 123 | 69 Ų | 69 | 64% | 0.644 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.3 | -48.5 | 175.2 | -129.1 | 168.9 | 0 | 0 | 0 | 111.2 | D1677 F1679 S1684 S1685 | D1677-L1681 PolarHBondContact O-N 3.37Å; F1679-L1681 VanDerWaalsContact C-N 3.3Å; F1679-L1681 PolarHBondContact O-N 2.98Å; L1681-S1684 WeakPolarHBondContact O-CB 3.22Å; L1681-S1684 PolarHBondContact O-N 3.23Å; L1681-S1684 VanDerWaalsContact O-N 3.12Å; L1681-S1684 PolarHBondContact O-OG 2.94Å; L1681-S1685 PolarHBondContact O-N 2.96Å |
| 1682 | L | 65.7 | Low | 64.4 | Low | 24 Ų | 24 | 68 Ų | 68 | 13% | 0.126 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.4 | -34.4 | 179.2 | -169.2 | 148.5 | 0 | 0 | 0 | 113 | L1629 T1630 Q1678 F1679 S1684 S1685 L1686 | L1629-L1682 HydrophobicContact CB-CD1 4.2Å; L1629-L1682 HydrophobicContact CB-CD2 4.32Å; L1629-L1682 HydrophobicContact CD2-CD2 4.37Å; T1630-L1682 HydrophobicContact CG2-CD1 3.58Å; Q1678-L1682 VanDerWaalsContact O-CB 3.29Å; Q1678-L1682 WeakPolarHBondContact O-CB 3.46Å; Q1678-L1682 PolarHBondContact O-N 3.25Å; F1679-L1682 PolarHBondContact O-N 3.31Å; L1682-S1684 VanDerWaalsContact C-N 3.3Å; L1682-S1685 PolarHBondContact O-OG 3.5Å; L1682-L1686 HydrophobicContact CD2-CD1 3.62Å; L1682-L1686 HydrophobicContact CD2-CG 4.27Å; L1682-L1686 WeakPolarHBondContact O-CB 3.34Å; L1682-L1686 WeakPolarHBondContact O-CG 3.31Å; L1682-L1686 PolarHBondContact O-N 3.29Å; L1682-L1686 VanDerWaalsContact O-N 3.11Å |
| 1683 | Q | 70.1 | Confident | 65 | Low | 5 Ų | 5 | 64.7 Ų | 64.7 | 2% | 0.023 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 168.3 | -76.7 | -176.5 | -69.4 | 0 | 0 | 111.7 | F1662 F1679 E1680 F1687 L1721 N1725 | F1662-Q1683 HydrophobicContact CE2-CG 4.18Å; F1662-Q1683 HydrophobicContact CZ-CG 3.78Å; F1679-Q1683 HydrophobicContact CD1-CG 4.23Å; F1679-Q1683 HydrophobicContact CE1-CG 3.95Å; F1679-Q1683 HydrophobicContact CE2-CG 4.37Å; F1679-Q1683 HydrophobicContact CZ-CG 4.03Å; F1679-Q1683 WeakPolarHBondContact O-CB 3.41Å; F1679-Q1683 WeakPolarHBondContact O-CG 3.47Å; F1679-Q1683 PolarHBondContact O-N 2.83Å; E1680-Q1683 PolarHBondContact O-N 3.44Å; Q1683-F1687 VanDerWaalsContact O-CB 3.31Å; Q1683-F1687 WeakPolarHBondContact O-CB 3.48Å; Q1683-F1687 PolarHBondContact O-N 3.08Å; Q1683-L1721 HydrophobicContact CB-CD2 4.33Å; Q1683-L1721 HydrophobicContact CG-CD2 4.04Å; Q1683-N1725 PolarHBondContact NE2-OD1 3.07Å |
| 1684 | S | 70.4 | Confident | 66.1 | Low | 49 Ų | 49 | 54.7 Ų | 54.7 | 34% | 0.343 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69 | -38.2 | 179.9 | 85.1 | 0 | 0 | 0 | 0 | 112.4 | E1680 L1681 L1682 N1688 | E1680-S1684 WeakPolarHBondContact O-CB 3.35Å; E1680-S1684 PolarHBondContact O-N 3.2Å; L1681-S1684 WeakPolarHBondContact O-CB 3.22Å; L1681-S1684 PolarHBondContact O-N 3.23Å; L1681-S1684 VanDerWaalsContact O-N 3.12Å; L1681-S1684 PolarHBondContact O-OG 2.94Å; L1682-S1684 VanDerWaalsContact C-N 3.3Å; S1684-N1688 PolarHBondContact O-N 2.63Å; S1684-N1688 PolarHBondContact O-ND2 3.14Å |
| 1685 | S | 70.8 | Confident | 67.1 | Low | 28 Ų | 28 | 53 Ų | 53 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.2 | -47.3 | 176.6 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | N1633 L1681 L1682 F1687 N1688 N1689 | N1633-S1685 VanDerWaalsContact CG-OG 3.32Å; N1633-S1685 PolarHBondContact ND2-OG 3.38Å; N1633-S1685 WeakPolarHBondContact OD1-CB 3.35Å; N1633-S1685 PolarHBondContact OD1-OG 3.09Å; L1681-S1685 PolarHBondContact O-N 2.96Å; L1682-S1685 PolarHBondContact O-OG 3.5Å; S1685-F1687 VanDerWaalsContact C-N 3.3Å; S1685-F1687 PolarHBondContact O-N 2.94Å; S1685-N1688 PolarHBondContact O-N 2.94Å; S1685-N1688 VanDerWaalsContact O-N 3.17Å; S1685-N1689 PolarHBondContact O-N 2.81Å |
| 1686 | L | 70.9 | Confident | 68.2 | Low | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59 | -40.4 | 175.5 | -75 | 175.6 | 0 | 0 | 0 | 112.2 | L1629 N1633 F1662 L1682 A1690 L1721 | L1629-L1686 HydrophobicContact CD2-CD1 4.13Å; N1633-L1686 HydrophobicContact CB-CD2 3.94Å; N1633-L1686 HydrophobicContact CB-CG 4.47Å; N1633-L1686 PolarHBondContact OD1-N 2.8Å; F1662-L1686 HydrophobicContact CD2-CD1 4.25Å; L1682-L1686 HydrophobicContact CD2-CD1 3.62Å; L1682-L1686 HydrophobicContact CD2-CG 4.27Å; L1682-L1686 WeakPolarHBondContact O-CB 3.34Å; L1682-L1686 WeakPolarHBondContact O-CG 3.31Å; L1682-L1686 PolarHBondContact O-N 3.29Å; L1682-L1686 VanDerWaalsContact O-N 3.11Å; L1686-A1690 WeakPolarHBondContact O-CB 3.49Å; L1686-A1690 PolarHBondContact O-N 3.3Å; L1686-L1721 HydrophobicContact CB-CD1 4.39Å |
| 1687 | F | 72.1 | Confident | 68.8 | Low | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.022 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 175.3 | -177.5 | -91.9 | 0 | 0 | 0 | 112 | Q1683 S1685 A1690 V1691 I1718 L1721 L1730 R1733 | Q1683-F1687 VanDerWaalsContact O-CB 3.31Å; Q1683-F1687 WeakPolarHBondContact O-CB 3.48Å; Q1683-F1687 PolarHBondContact O-N 3.08Å; S1685-F1687 VanDerWaalsContact C-N 3.3Å; S1685-F1687 PolarHBondContact O-N 2.94Å; F1687-A1690 PolarHBondContact O-N 2.81Å; F1687-V1691 HydrophobicContact CD1-CG2 4.09Å; F1687-V1691 HydrophobicContact CE1-CG2 3.6Å; F1687-V1691 HydrophobicContact CE2-CG2 4.19Å; F1687-V1691 HydrophobicContact CZ-CG2 3.66Å; F1687-V1691 WeakPolarHBondContact O-CG2 3.46Å; F1687-V1691 PolarHBondContact O-N 3.28Å; F1687-I1718 HydrophobicContact CE2-CG1 4.4Å; F1687-I1718 HydrophobicContact CE2-CG2 4.21Å; F1687-L1721 HydrophobicContact CB-CD1 4.17Å; F1687-L1721 HydrophobicContact CD2-CB 4.48Å; F1687-L1730 HydrophobicContact CD1-CD2 3.99Å; F1687-L1730 HydrophobicContact CD2-CD2 4.09Å; F1687-L1730 HydrophobicContact CE1-CB 4.45Å; F1687-L1730 HydrophobicContact CE1-CD2 3.81Å; F1687-L1730 HydrophobicContact CE2-CB 4.3Å; F1687-L1730 HydrophobicContact CE2-CD1 4.11Å; F1687-L1730 HydrophobicContact CE2-CD2 3.91Å; F1687-L1730 HydrophobicContact CE2-CG 4.33Å; F1687-L1730 HydrophobicContact CG-CD2 4.13Å; F1687-L1730 HydrophobicContact CZ-CB 3.87Å; F1687-L1730 HydrophobicContact CZ-CD1 4.48Å; F1687-L1730 HydrophobicContact CZ-CD2 3.78Å; F1687-L1730 HydrophobicContact CZ-CG 4.24Å; F1687-R1733 HydrophobicContact CE1-CB 3.96Å; F1687-R1733 HydrophobicContact CE1-CG 4.49Å |
| 1688 | N | 71.8 | Confident | 69.2 | Low | 50 Ų | 50 | 40.9 Ų | 40.9 | 27% | 0.267 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.7 | -47.3 | 178.4 | -68.2 | -33.6 | 0 | 0 | 0 | 111.3 | S1684 S1685 A1690 V1691 C1692 R1733 | S1684-N1688 PolarHBondContact O-N 2.63Å; S1684-N1688 PolarHBondContact O-ND2 3.14Å; S1685-N1688 PolarHBondContact O-N 2.94Å; S1685-N1688 VanDerWaalsContact O-N 3.17Å; N1688-A1690 PolarHBondContact O-N 2.89Å; N1688-V1691 PolarHBondContact O-N 3.04Å; N1688-C1692 PolarHBondContact O-N 3.38Å; N1688-C1692 PolarHBondContact O-SG 3.48Å; N1688-C1692 VanDerWaalsContact O-SG 3.38Å; N1688-R1733 VanDerWaalsContact CG-NH1 3.3Å; N1688-R1733 PolarHBondContact ND2-NH1 3.12Å; N1688-R1733 PolarHBondContact OD1-NH1 2.92Å |
| 1689 | N | 70.2 | Confident | 69.6 | Low | 31 Ų | 31 | 42.6 Ų | 42.6 | 17% | 0.166 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.4 | -50.3 | 176.5 | -72.9 | -11.9 | 0 | 0 | 0 | 110.6 | N1633 S1685 V1691 C1692 F1693 | N1633-N1689 PolarHBondContact O-ND2 2.9Å; N1633-N1689 PolarHBondContact OD1-ND2 3.47Å; S1685-N1689 PolarHBondContact O-N 2.81Å; N1689-V1691 VanDerWaalsContact C-N 3.34Å; N1689-V1691 PolarHBondContact O-N 3.28Å; N1689-C1692 WeakPolarHBondContact O-CB 3.31Å; N1689-C1692 PolarHBondContact O-N 2.92Å; N1689-C1692 VanDerWaalsContact O-N 3.11Å; N1689-F1693 HydrophobicContact CB-CE2 4.4Å; N1689-F1693 WeakPolarHBondContact O-CD2 3.32Å; N1689-F1693 PolarHBondContact O-N 2.94Å |
| 1690 | A | 71.1 | Confident | 69.4 | Low | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.5 | -36.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1686 F1687 N1688 L1694 L1717 I1718 | L1686-A1690 WeakPolarHBondContact O-CB 3.49Å; L1686-A1690 PolarHBondContact O-N 3.3Å; F1687-A1690 PolarHBondContact O-N 2.81Å; N1688-A1690 PolarHBondContact O-N 2.89Å; A1690-L1694 WeakPolarHBondContact O-CB 3.3Å; A1690-L1694 PolarHBondContact O-N 3.06Å; A1690-L1717 HydrophobicContact CB-CD2 3.64Å; A1690-I1718 HydrophobicContact CB-CD1 4.29Å; A1690-I1718 HydrophobicContact CB-CG1 4.04Å |
| 1691 | V | 72 | Confident | 69 | Low | 9 Ų | 9 | 41.9 Ų | 41.9 | 6% | 0.055 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.4 | -37.5 | 173.8 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | F1687 N1688 N1689 L1694 S1695 I1718 L1734 A1737 V1739 | F1687-V1691 HydrophobicContact CD1-CG2 4.09Å; F1687-V1691 HydrophobicContact CE1-CG2 3.6Å; F1687-V1691 HydrophobicContact CE2-CG2 4.19Å; F1687-V1691 HydrophobicContact CZ-CG2 3.66Å; F1687-V1691 WeakPolarHBondContact O-CG2 3.46Å; F1687-V1691 PolarHBondContact O-N 3.28Å; N1688-V1691 PolarHBondContact O-N 3.04Å; N1689-V1691 VanDerWaalsContact C-N 3.34Å; N1689-V1691 PolarHBondContact O-N 3.28Å; V1691-L1694 PolarHBondContact O-N 3.33Å; V1691-S1695 VanDerWaalsContact O-CB 3.32Å; V1691-S1695 WeakPolarHBondContact O-CB 3.37Å; V1691-S1695 PolarHBondContact O-N 3.04Å; V1691-S1695 PolarHBondContact O-OG 3.13Å; V1691-I1718 HydrophobicContact CG2-CD1 4.1Å; V1691-L1734 HydrophobicContact CG1-CD2 4.18Å; V1691-L1734 HydrophobicContact CG2-CD2 3.84Å; V1691-A1737 HydrophobicContact CG1-CB 4.05Å; V1691-V1739 HydrophobicContact CG1-CG2 4.43Å |
| 1692 | C | 71 | Confident | 68.8 | Low | 72 Ų | 72 | 42.6 Ų | 42.6 | 49% | 0.486 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.3 | -47.9 | 172.9 | -72.4 | 0 | 0 | 0 | 0 | 111.7 | N1688 N1689 L1694 S1695 L1696 | N1688-C1692 PolarHBondContact O-N 3.38Å; N1688-C1692 PolarHBondContact O-SG 3.48Å; N1688-C1692 VanDerWaalsContact O-SG 3.38Å; N1689-C1692 WeakPolarHBondContact O-CB 3.31Å; N1689-C1692 PolarHBondContact O-N 2.92Å; N1689-C1692 VanDerWaalsContact O-N 3.11Å; C1692-L1694 PolarHBondContact O-N 2.99Å; C1692-S1695 PolarHBondContact O-N 3.34Å; C1692-S1695 PolarHBondContact O-OG 3.25Å; C1692-L1696 PolarHBondContact O-N 2.91Å |
| 1693 | F | 69.3 | Low | 68.8 | Low | 7 Ų | 7 | 43.6 Ų | 43.6 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.4 | -49.4 | 173.3 | -76.1 | -70.5 | 0 | 0 | 0 | 111.6 | L1636 L1641 H1651 L1655 N1689 S1695 L1696 L1697 | L1636-F1693 HydrophobicContact CD2-CE2 4.11Å; L1636-F1693 HydrophobicContact CD2-CZ 4.09Å; L1641-F1693 HydrophobicContact CD1-CD1 3.72Å; L1641-F1693 HydrophobicContact CD1-CE1 3.66Å; L1641-F1693 HydrophobicContact CD1-CG 4.44Å; L1641-F1693 HydrophobicContact CD1-CZ 4.36Å; L1641-F1693 HydrophobicContact CD2-CD1 3.76Å; L1641-F1693 HydrophobicContact CD2-CE1 3.76Å; L1641-F1693 HydrophobicContact CG-CD1 4.07Å; L1641-F1693 HydrophobicContact CG-CE1 3.76Å; H1651-F1693 HydrophobicContact CB-CE1 4Å; H1651-F1693 AromaticContact CD2-CE1 3.97Å; H1651-F1693 AromaticContact CE1-CE1 3.73Å; H1651-F1693 AromaticContact CE1-CZ 3.76Å; H1651-F1693 AromaticContact CG-CE1 3.6Å; H1651-F1693 AromaticContact ND1-CE1 3.45Å; H1651-F1693 WeakPolarHBondContact ND1-CE1 3.29Å; H1651-F1693 AromaticContact ND1-CZ 3.45Å; H1651-F1693 WeakPolarHBondContact ND1-CZ 3.49Å; L1655-F1693 HydrophobicContact CD1-CD2 4.28Å; L1655-F1693 HydrophobicContact CD1-CG 4.24Å; L1655-F1693 HydrophobicContact CD2-CD2 4.33Å; N1689-F1693 HydrophobicContact CB-CE2 4.4Å; N1689-F1693 WeakPolarHBondContact O-CD2 3.32Å; N1689-F1693 PolarHBondContact O-N 2.94Å; F1693-S1695 PolarHBondContact O-N 3.47Å; F1693-L1696 PolarHBondContact O-N 3.28Å; F1693-L1697 WeakPolarHBondContact O-CG 3.15Å; F1693-L1697 PolarHBondContact O-N 2.93Å |
| 1694 | L | 72.8 | Confident | 68.6 | Low | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.8 | -38.5 | -179.6 | -173 | 65.1 | 0 | 0 | 0 | 112.6 | A1690 V1691 C1692 L1696 T1698 I1711 I1715 I1718 V1739 | A1690-L1694 WeakPolarHBondContact O-CB 3.3Å; A1690-L1694 PolarHBondContact O-N 3.06Å; V1691-L1694 PolarHBondContact O-N 3.33Å; C1692-L1694 PolarHBondContact O-N 2.99Å; L1694-L1696 VanDerWaalsContact C-N 3.28Å; L1694-L1696 PolarHBondContact O-N 3.4Å; L1694-T1698 HydrophobicContact CD1-CG2 3.76Å; L1694-T1698 HydrophobicContact CG-CG2 4.17Å; L1694-T1698 WeakPolarHBondContact O-CB 3.3Å; L1694-T1698 WeakPolarHBondContact O-CG2 3.49Å; L1694-T1698 PolarHBondContact O-N 3.17Å; L1694-T1698 VanDerWaalsContact O-N 3.08Å; L1694-T1698 PolarHBondContact O-OG1 2.9Å; L1694-I1711 HydrophobicContact CD1-CG1 4.46Å; L1694-I1711 HydrophobicContact CD1-CG2 4.02Å; L1694-I1715 HydrophobicContact CD1-CG1 4.24Å; L1694-I1715 HydrophobicContact CD2-CG1 4.47Å; L1694-I1718 HydrophobicContact CD2-CD1 3.76Å; L1694-V1739 HydrophobicContact CD2-CG1 3.86Å; L1694-V1739 HydrophobicContact CG-CG1 3.98Å |
| 1695 | S | 72.6 | Confident | 68.3 | Low | 29 Ų | 29 | 53.6 Ų | 53.6 | 20% | 0.203 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.2 | -28.8 | 178.9 | 75.3 | 0 | 0 | 0 | 0 | 113.7 | V1691 C1692 F1693 | V1691-S1695 VanDerWaalsContact O-CB 3.32Å; V1691-S1695 WeakPolarHBondContact O-CB 3.37Å; V1691-S1695 PolarHBondContact O-N 3.04Å; V1691-S1695 PolarHBondContact O-OG 3.13Å; C1692-S1695 PolarHBondContact O-N 3.34Å; C1692-S1695 PolarHBondContact O-OG 3.25Å; F1693-S1695 PolarHBondContact O-N 3.47Å |
| 1696 | L | 69 | Low | 67.7 | Low | 75 Ų | 75 | 54.4 Ų | 54.4 | 39% | 0.393 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -86.9 | -45.6 | -178 | -152.1 | 153.8 | 0 | 0 | 0 | 110.7 | L1641 C1692 F1693 L1694 T1698 R1699 | L1641-L1696 HydrophobicContact CB-CD1 3.91Å; L1641-L1696 HydrophobicContact CD1-CD1 4.09Å; L1641-L1696 HydrophobicContact CG-CD1 4.44Å; C1692-L1696 PolarHBondContact O-N 2.91Å; F1693-L1696 PolarHBondContact O-N 3.28Å; L1694-L1696 VanDerWaalsContact C-N 3.28Å; L1694-L1696 PolarHBondContact O-N 3.4Å; L1696-T1698 PolarHBondContact O-N 3.32Å; L1696-R1699 PolarHBondContact O-N 3.48Å |
| 1697 | L | 67.8 | Low | 67.5 | Low | 15 Ų | 15 | 54.5 Ų | 54.5 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 177 | -68.6 | 170.3 | 0 | 0 | 0 | 112.9 | F1693 R1699 N1700 E1707 A1710 I1711 | F1693-L1697 WeakPolarHBondContact O-CG 3.15Å; F1693-L1697 PolarHBondContact O-N 2.93Å; L1697-R1699 PolarHBondContact O-N 3.48Å; L1697-R1699 VanDerWaalsContact O-N 3.1Å; L1697-N1700 PolarHBondContact O-N 2.7Å; L1697-E1707 HydrophobicContact CD2-CG 4.3Å; L1697-A1710 HydrophobicContact CD1-CB 3.74Å; L1697-I1711 HydrophobicContact CB-CD1 4.25Å; L1697-I1711 HydrophobicContact CB-CG1 3.97Å; L1697-I1711 HydrophobicContact CD1-CG1 4.19Å |
| 1698 | T | 67.6 | Low | 67.4 | Low | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -0.4 | -177.7 | 55.8 | 0 | 0 | 0 | 0 | 114.8 | L1694 L1696 N1742 L1746 | L1694-T1698 HydrophobicContact CD1-CG2 3.76Å; L1694-T1698 HydrophobicContact CG-CG2 4.17Å; L1694-T1698 WeakPolarHBondContact O-CB 3.3Å; L1694-T1698 WeakPolarHBondContact O-CG2 3.49Å; L1694-T1698 PolarHBondContact O-N 3.17Å; L1694-T1698 VanDerWaalsContact O-N 3.08Å; L1694-T1698 PolarHBondContact O-OG1 2.9Å; L1696-T1698 PolarHBondContact O-N 3.32Å; T1698-N1742 WeakPolarHBondContact O-CB 3.07Å; T1698-N1742 WeakPolarHBondContact OG1-CB 3.3Å; T1698-N1742 PolarHBondContact OG1-ND2 3Å; T1698-N1742 VanDerWaalsContact OG1-ND2 3.11Å; T1698-L1746 HydrophobicContact CG2-CD2 4.27Å |
| 1699 | R | 66.5 | Low | 67.2 | Low | 194 Ų | 194 | 56 Ų | 56 | 73% | 0.732 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -19.3 | 173.8 | -75.8 | -178.7 | 170.2 | -171.4 | -2.4 | 113.9 | L1696 L1697 | L1696-R1699 PolarHBondContact O-N 3.48Å; L1697-R1699 PolarHBondContact O-N 3.48Å; L1697-R1699 VanDerWaalsContact O-N 3.1Å |
| 1700 | N | 62.6 | Low | 67.1 | Low | 69 Ų | 69 | 54.9 Ų | 54.9 | 37% | 0.369 | 28% | 0.278 | S | S | . | . | trans | -86.6 | 123.4 | -179.6 | -72.4 | -12.6 | 0 | 0 | 0 | 110.7 | L1697 E1707 | L1697-N1700 PolarHBondContact O-N 2.7Å; N1700-E1707 PolarHBondContact ND2-OE1 3.48Å | ||
| 1701 | P | 58.1 | Low | 67.1 | Low | 84 Ų | 84 | 54.8 Ų | 54.8 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -75.9 | -25.4 | 177.3 | 29.9 | -34.5 | 0 | 0 | 0 | 113.1 | ||
| 1702 | N | 61.7 | Low | 67.1 | Low | 139 Ų | 139 | 55.4 Ų | 55.4 | 74% | 0.743 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -103 | 88.7 | 179.3 | -68.3 | -8.4 | 0 | 0 | 0 | 109.7 | ||
| 1703 | I | 65.9 | Low | 67 | Low | 45 Ų | 45 | 53.2 Ų | 53.2 | 23% | 0.231 | 26% | 0.263 | C | S | . | . | trans | -79.3 | 128.2 | -177.3 | -41.1 | 172.6 | 0 | 0 | 0 | 110.6 | E1707 E1708 I1711 L1746 L1759 | I1703-E1707 HydrophobicContact CG2-CB 3.59Å; I1703-E1708 HydrophobicContact CG2-CB 4.22Å; I1703-I1711 HydrophobicContact CD1-CD1 4.45Å; I1703-I1711 HydrophobicContact CG2-CD1 4.09Å; I1703-L1746 HydrophobicContact CD1-CD1 3.66Å; I1703-L1746 HydrophobicContact CD1-CD2 3.81Å; I1703-L1746 HydrophobicContact CD1-CG 3.7Å; I1703-L1746 HydrophobicContact CG1-CD1 4.01Å; I1703-L1759 HydrophobicContact CD1-CD2 3.58Å | ||
| 1704 | N | 67.2 | Low | 67.2 | Low | 73 Ų | 73 | 52.9 Ų | 52.9 | 39% | 0.39 | 26% | 0.262 | S | S | . | . | trans | -83 | 155.7 | 168.4 | -63.7 | -83 | 0 | 0 | 0 | 111.2 | F1645 I1706 E1707 E1708 | F1645-N1704 HydrophobicContact CE1-CB 4.41Å; N1704-I1706 PolarHBondContact O-N 3.22Å; N1704-E1707 WeakPolarHBondContact CB-OE2 3.21Å; N1704-E1707 PolarHBondContact N-OE2 3.23Å; N1704-E1707 PolarHBondContact ND2-OE2 3.32Å; N1704-E1707 WeakPolarHBondContact O-CA 3.46Å; N1704-E1707 WeakPolarHBondContact O-CB 3.46Å; N1704-E1707 PolarHBondContact O-N 3.31Å; N1704-E1708 PolarHBondContact O-N 3Å | ||
| 1705 | R | 63.2 | Low | 67.2 | Low | 191 Ų | 191 | 53 Ų | 53 | 72% | 0.721 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -53.5 | -26.7 | 179 | -74.6 | -177.3 | 172.9 | 173.8 | -2 | 114.2 | S1709 D1755 | R1705-S1709 PolarHBondContact O-N 3.03Å; R1705-S1709 VanDerWaalsContact O-N 3.07Å; R1705-D1755 IonicContact NH2-OD2 3.07Å; R1705-D1755 PolarHBondContact NH2-OD2 3.38Å; R1705-D1755 VanDerWaalsContact NH2-OD2 3.09Å |
| 1706 | I | 58.5 | Low | 67.1 | Low | 44 Ų | 44 | 54.9 Ų | 54.9 | 23% | 0.226 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.1 | -48 | 176.3 | -57.2 | 152.3 | 0 | 0 | 0 | 110.3 | F1645 H1649 N1704 S1709 A1710 | F1645-I1706 HydrophobicContact CD1-CD1 4.36Å; H1649-I1706 VanDerWaalsContact NE2-CD1 3.28Å; H1649-I1706 WeakPolarHBondContact NE2-CD1 3.28Å; N1704-I1706 PolarHBondContact O-N 3.22Å; I1706-S1709 WeakPolarHBondContact O-CB 3.41Å; I1706-S1709 PolarHBondContact O-N 3.32Å; I1706-S1709 VanDerWaalsContact O-N 3.12Å; I1706-S1709 PolarHBondContact O-OG 3.38Å; I1706-A1710 PolarHBondContact O-N 3.03Å |
| 1707 | E | 67.2 | Low | 67.2 | Low | 5 Ų | 5 | 51.5 Ų | 51.5 | 2% | 0.023 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 173.9 | -65.8 | 168.2 | 115.6 | 0 | 0 | 111 | Q1648 L1697 N1700 I1703 N1704 S1709 A1710 I1711 | Q1648-E1707 VanDerWaalsContact OE1-CG 3.22Å; L1697-E1707 HydrophobicContact CD2-CG 4.3Å; N1700-E1707 PolarHBondContact ND2-OE1 3.48Å; I1703-E1707 HydrophobicContact CG2-CB 3.59Å; N1704-E1707 WeakPolarHBondContact CB-OE2 3.21Å; N1704-E1707 PolarHBondContact N-OE2 3.23Å; N1704-E1707 PolarHBondContact ND2-OE2 3.32Å; N1704-E1707 WeakPolarHBondContact O-CA 3.46Å; N1704-E1707 WeakPolarHBondContact O-CB 3.46Å; N1704-E1707 PolarHBondContact O-N 3.31Å; E1707-S1709 VanDerWaalsContact C-N 3.33Å; E1707-S1709 PolarHBondContact O-N 3.19Å; E1707-A1710 PolarHBondContact O-N 3.12Å; E1707-I1711 WeakPolarHBondContact O-CB 3.3Å; E1707-I1711 VanDerWaalsContact O-CG1 3.24Å; E1707-I1711 WeakPolarHBondContact O-CG1 3.49Å; E1707-I1711 PolarHBondContact O-N 3.37Å |
| 1708 | E | 69.4 | Low | 67.4 | Low | 41 Ų | 41 | 50.8 Ų | 50.8 | 19% | 0.192 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.6 | -47.1 | 170.1 | 166.3 | 172.2 | -159.1 | 0 | 0 | 110.6 | I1703 N1704 A1710 I1711 L1712 T1758 L1759 | I1703-E1708 HydrophobicContact CG2-CB 4.22Å; N1704-E1708 PolarHBondContact O-N 3Å; E1708-A1710 VanDerWaalsContact C-N 3.34Å; E1708-A1710 PolarHBondContact O-N 3.25Å; E1708-I1711 PolarHBondContact O-N 3.26Å; E1708-L1712 HydrophobicContact CG-CD1 3.74Å; E1708-L1712 HydrophobicContact CG-CG 4.19Å; E1708-L1712 WeakPolarHBondContact O-CB 3.29Å; E1708-L1712 VanDerWaalsContact O-CG 3.28Å; E1708-L1712 WeakPolarHBondContact O-CG 3.5Å; E1708-L1712 PolarHBondContact O-N 3.2Å; E1708-T1758 PolarHBondContact OE1-OG1 3.26Å; E1708-L1759 HydrophobicContact CB-CD1 4.3Å; E1708-L1759 HydrophobicContact CG-CD1 3.86Å |
| 1709 | S | 66.9 | Low | 67.6 | Low | 47 Ų | 47 | 51.9 Ų | 51.9 | 33% | 0.329 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 179.5 | 80.1 | 0 | 0 | 0 | 0 | 112.5 | R1705 I1706 E1707 L1712 Q1713 | R1705-S1709 PolarHBondContact O-N 3.03Å; R1705-S1709 VanDerWaalsContact O-N 3.07Å; I1706-S1709 WeakPolarHBondContact O-CB 3.41Å; I1706-S1709 PolarHBondContact O-N 3.32Å; I1706-S1709 VanDerWaalsContact O-N 3.12Å; I1706-S1709 PolarHBondContact O-OG 3.38Å; E1707-S1709 VanDerWaalsContact C-N 3.33Å; E1707-S1709 PolarHBondContact O-N 3.19Å; S1709-L1712 PolarHBondContact O-N 2.97Å; S1709-Q1713 WeakPolarHBondContact O-CG 3.4Å; S1709-Q1713 PolarHBondContact O-N 3.12Å |
| 1710 | A | 67.6 | Low | 67.7 | Low | 6 Ų | 6 | 44 Ų | 44 | 5% | 0.05 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.7 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1697 I1706 E1707 E1708 S1714 | L1697-A1710 HydrophobicContact CD1-CB 3.74Å; I1706-A1710 PolarHBondContact O-N 3.03Å; E1707-A1710 PolarHBondContact O-N 3.12Å; E1708-A1710 VanDerWaalsContact C-N 3.34Å; E1708-A1710 PolarHBondContact O-N 3.25Å; A1710-S1714 WeakPolarHBondContact O-CB 3.35Å; A1710-S1714 PolarHBondContact O-N 3.37Å; A1710-S1714 PolarHBondContact O-OG 3.14Å |
| 1711 | I | 72.3 | Confident | 68 | Low | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | 172.2 | -68.9 | 164.8 | 0 | 0 | 0 | 110.2 | L1694 L1697 I1703 E1707 E1708 S1714 I1715 L1759 | L1694-I1711 HydrophobicContact CD1-CG1 4.46Å; L1694-I1711 HydrophobicContact CD1-CG2 4.02Å; L1697-I1711 HydrophobicContact CB-CD1 4.25Å; L1697-I1711 HydrophobicContact CB-CG1 3.97Å; L1697-I1711 HydrophobicContact CD1-CG1 4.19Å; I1703-I1711 HydrophobicContact CD1-CD1 4.45Å; I1703-I1711 HydrophobicContact CG2-CD1 4.09Å; E1707-I1711 WeakPolarHBondContact O-CB 3.3Å; E1707-I1711 VanDerWaalsContact O-CG1 3.24Å; E1707-I1711 WeakPolarHBondContact O-CG1 3.49Å; E1707-I1711 PolarHBondContact O-N 3.37Å; E1708-I1711 PolarHBondContact O-N 3.26Å; I1711-S1714 WeakPolarHBondContact CA-OG 3.48Å; I1711-S1714 PolarHBondContact O-OG 3.38Å; I1711-S1714 VanDerWaalsContact O-OG 3.07Å; I1711-I1715 HydrophobicContact CG2-CD1 3.59Å; I1711-I1715 HydrophobicContact CG2-CG1 4.33Å; I1711-I1715 VanDerWaalsContact O-CB 3.3Å; I1711-I1715 WeakPolarHBondContact O-CB 3.33Å; I1711-I1715 WeakPolarHBondContact O-CG1 3.22Å; I1711-I1715 PolarHBondContact O-N 3.46Å; I1711-L1759 HydrophobicContact CB-CD1 4.27Å; I1711-L1759 HydrophobicContact CG2-CD1 3.83Å |
| 1712 | L | 71.2 | Confident | 68.5 | Low | 21 Ų | 21 | 37.3 Ų | 37.3 | 11% | 0.11 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.4 | -44.1 | 176.4 | -72 | 172.6 | 0 | 0 | 0 | 112 | E1708 S1709 I1715 N1716 L1759 S1762 | E1708-L1712 HydrophobicContact CG-CD1 3.74Å; E1708-L1712 HydrophobicContact CG-CG 4.19Å; E1708-L1712 WeakPolarHBondContact O-CB 3.29Å; E1708-L1712 VanDerWaalsContact O-CG 3.28Å; E1708-L1712 WeakPolarHBondContact O-CG 3.5Å; E1708-L1712 PolarHBondContact O-N 3.2Å; S1709-L1712 PolarHBondContact O-N 2.97Å; L1712-I1715 PolarHBondContact O-N 3.31Å; L1712-N1716 WeakPolarHBondContact O-CB 3.39Å; L1712-N1716 PolarHBondContact O-N 3.46Å; L1712-N1716 PolarHBondContact O-ND2 2.79Å; L1712-L1759 HydrophobicContact CD2-CD1 4.49Å; L1712-L1759 HydrophobicContact CG-CD1 4.42Å; L1712-S1762 WeakPolarHBondContact CD2-OG 3.45Å |
| 1713 | Q | 69.1 | Low | 68.5 | Low | 27 Ų | 27 | 33.3 Ų | 33.3 | 13% | 0.126 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.3 | -41 | 178 | -64.8 | -61.3 | 7.9 | 0 | 0 | 112.8 | S1709 N1716 L1717 | S1709-Q1713 WeakPolarHBondContact O-CG 3.4Å; S1709-Q1713 PolarHBondContact O-N 3.12Å; Q1713-N1716 PolarHBondContact O-N 3.1Å; Q1713-L1717 WeakPolarHBondContact O-CB 3.36Å; Q1713-L1717 PolarHBondContact O-N 3.32Å |
| 1714 | S | 74.5 | Confident | 68.2 | Low | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.2 | -40.3 | 175.1 | 54 | 0 | 0 | 0 | 0 | 112 | A1710 I1711 L1717 I1718 | A1710-S1714 WeakPolarHBondContact O-CB 3.35Å; A1710-S1714 PolarHBondContact O-N 3.37Å; A1710-S1714 PolarHBondContact O-OG 3.14Å; I1711-S1714 WeakPolarHBondContact CA-OG 3.48Å; I1711-S1714 PolarHBondContact O-OG 3.38Å; I1711-S1714 VanDerWaalsContact O-OG 3.07Å; S1714-L1717 PolarHBondContact O-N 3.04Å; S1714-I1718 VanDerWaalsContact O-CB 3.3Å; S1714-I1718 WeakPolarHBondContact O-CB 3.42Å; S1714-I1718 WeakPolarHBondContact O-CD1 3.2Å; S1714-I1718 VanDerWaalsContact O-CG1 3.24Å; S1714-I1718 WeakPolarHBondContact O-CG1 3.44Å; S1714-I1718 PolarHBondContact O-N 2.9Å |
| 1715 | I | 71.5 | Confident | 67.5 | Low | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.7 | -42.2 | 170.8 | -70.6 | 169.6 | 0 | 0 | 0 | 111.1 | L1694 I1711 L1712 I1718 T1719 L1763 | L1694-I1715 HydrophobicContact CD1-CG1 4.24Å; L1694-I1715 HydrophobicContact CD2-CG1 4.47Å; I1711-I1715 HydrophobicContact CG2-CD1 3.59Å; I1711-I1715 HydrophobicContact CG2-CG1 4.33Å; I1711-I1715 VanDerWaalsContact O-CB 3.3Å; I1711-I1715 WeakPolarHBondContact O-CB 3.33Å; I1711-I1715 WeakPolarHBondContact O-CG1 3.22Å; I1711-I1715 PolarHBondContact O-N 3.46Å; L1712-I1715 PolarHBondContact O-N 3.31Å; I1715-I1718 PolarHBondContact O-N 3.24Å; I1715-T1719 WeakPolarHBondContact O-CB 3.48Å; I1715-T1719 PolarHBondContact O-N 3.33Å; I1715-T1719 PolarHBondContact O-OG1 3.23Å; I1715-L1763 HydrophobicContact CD1-CD2 3.63Å; I1715-L1763 HydrophobicContact CD1-CG 4.33Å |
| 1716 | N | 71.2 | Confident | 67.1 | Low | 69 Ų | 69 | 32.3 Ų | 32.3 | 37% | 0.369 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.8 | -46.1 | 177.3 | -75.2 | -27.8 | 0 | 0 | 0 | 111.9 | L1712 Q1713 T1719 F1720 | L1712-N1716 WeakPolarHBondContact O-CB 3.39Å; L1712-N1716 PolarHBondContact O-N 3.46Å; L1712-N1716 PolarHBondContact O-ND2 2.79Å; Q1713-N1716 PolarHBondContact O-N 3.1Å; N1716-T1719 PolarHBondContact O-N 3.2Å; N1716-F1720 VanDerWaalsContact O-CB 3.31Å; N1716-F1720 WeakPolarHBondContact O-CB 3.43Å; N1716-F1720 PolarHBondContact O-N 2.94Å |
| 1717 | L | 71.3 | Confident | 67.1 | Low | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.1 | -47.1 | 176.8 | -169 | 100.5 | 0 | 0 | 0 | 111.3 | Y1659 A1690 Q1713 S1714 T1719 F1720 L1721 | Y1659-L1717 HydrophobicContact CD2-CD1 4.18Å; A1690-L1717 HydrophobicContact CB-CD2 3.64Å; Q1713-L1717 WeakPolarHBondContact O-CB 3.36Å; Q1713-L1717 PolarHBondContact O-N 3.32Å; S1714-L1717 PolarHBondContact O-N 3.04Å; L1717-T1719 VanDerWaalsContact C-N 3.35Å; L1717-T1719 PolarHBondContact O-N 3.24Å; L1717-F1720 PolarHBondContact O-N 3.31Å; L1717-L1721 HydrophobicContact CD2-CD1 3.97Å; L1717-L1721 HydrophobicContact CG-CD1 4.05Å; L1717-L1721 WeakPolarHBondContact O-CB 3.45Å; L1717-L1721 WeakPolarHBondContact O-CG 3.35Å; L1717-L1721 PolarHBondContact O-N 3.1Å |
| 1718 | I | 72.9 | Confident | 66.6 | Low | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.1 | -47.7 | 174.5 | -74.8 | 166 | 0 | 0 | 0 | 110.3 | F1687 A1690 V1691 L1694 S1714 I1715 F1720 L1721 W1722 L1766 | F1687-I1718 HydrophobicContact CE2-CG1 4.4Å; F1687-I1718 HydrophobicContact CE2-CG2 4.21Å; A1690-I1718 HydrophobicContact CB-CD1 4.29Å; A1690-I1718 HydrophobicContact CB-CG1 4.04Å; V1691-I1718 HydrophobicContact CG2-CD1 4.1Å; L1694-I1718 HydrophobicContact CD2-CD1 3.76Å; S1714-I1718 VanDerWaalsContact O-CB 3.3Å; S1714-I1718 WeakPolarHBondContact O-CB 3.42Å; S1714-I1718 WeakPolarHBondContact O-CD1 3.2Å; S1714-I1718 VanDerWaalsContact O-CG1 3.24Å; S1714-I1718 WeakPolarHBondContact O-CG1 3.44Å; S1714-I1718 PolarHBondContact O-N 2.9Å; I1715-I1718 PolarHBondContact O-N 3.24Å; I1718-F1720 VanDerWaalsContact C-N 3.26Å; I1718-F1720 PolarHBondContact O-N 3.18Å; I1718-L1721 PolarHBondContact O-N 3.23Å; I1718-W1722 HydrophobicContact CG2-CE3 4.5Å; I1718-W1722 VanDerWaalsContact O-CB 3.27Å; I1718-W1722 WeakPolarHBondContact O-CB 3.4Å; I1718-W1722 PolarHBondContact O-N 3.13Å; I1718-L1766 HydrophobicContact CG2-CD1 4.34Å |
| 1719 | T | 70.7 | Confident | 66.2 | Low | 29 Ų | 29 | 40.2 Ų | 40.2 | 18% | 0.178 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -32 | -178.8 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | I1715 N1716 L1717 K1769 | I1715-T1719 WeakPolarHBondContact O-CB 3.48Å; I1715-T1719 PolarHBondContact O-N 3.33Å; I1715-T1719 PolarHBondContact O-OG1 3.23Å; N1716-T1719 PolarHBondContact O-N 3.2Å; L1717-T1719 VanDerWaalsContact C-N 3.35Å; L1717-T1719 PolarHBondContact O-N 3.24Å; T1719-K1769 HydrophobicContact CG2-CD 4.13Å; T1719-K1769 VanDerWaalsContact CG2-NZ 3.33Å; T1719-K1769 PolarHBondContact O-NZ 3.2Å |
| 1720 | F | 68.2 | Low | 65.9 | Low | 28 Ų | 28 | 38.6 Ų | 38.6 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -78.1 | -39.6 | 176 | -173.3 | -102.7 | 0 | 0 | 0 | 112.8 | Y1659 F1662 N1716 L1717 I1718 K2063 | Y1659-F1720 HydrophobicContact CE2-CB 4.34Å; Y1659-F1720 HydrophobicContact CE2-CG 4.37Å; F1662-F1720 AromaticContact CD1-CD1 3.91Å; F1662-F1720 HydrophobicContact CD1-CD1 3.91Å; F1662-F1720 AromaticContact CD1-CE1 3.6Å; F1662-F1720 HydrophobicContact CD1-CE1 3.6Å; F1662-F1720 AromaticContact CE1-CD1 3.94Å; F1662-F1720 HydrophobicContact CE1-CD1 3.94Å; F1662-F1720 AromaticContact CE1-CE1 3.64Å; F1662-F1720 HydrophobicContact CE1-CE1 3.64Å; N1716-F1720 VanDerWaalsContact O-CB 3.31Å; N1716-F1720 WeakPolarHBondContact O-CB 3.43Å; N1716-F1720 PolarHBondContact O-N 2.94Å; L1717-F1720 PolarHBondContact O-N 3.31Å; I1718-F1720 VanDerWaalsContact C-N 3.26Å; I1718-F1720 PolarHBondContact O-N 3.18Å; F1720-K2063 HydrophobicContact CE2-CD 3.85Å; F1720-K2063 HydrophobicContact CE2-CG 4.05Å; F1720-K2063 HydrophobicContact CZ-CD 3.79Å; F1720-K2063 HydrophobicContact CZ-CG 4.45Å |
| 1721 | L | 69.1 | Low | 65.7 | Low | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.5 | -32.9 | 174.6 | -69.8 | 169.9 | 0 | 0 | 0 | 112.2 | F1662 Q1683 L1686 F1687 L1717 I1718 D1723 H1724 N1725 | F1662-L1721 HydrophobicContact CD1-CD2 4.47Å; F1662-L1721 HydrophobicContact CE1-CD2 3.65Å; F1662-L1721 HydrophobicContact CZ-CD2 3.87Å; Q1683-L1721 HydrophobicContact CB-CD2 4.33Å; Q1683-L1721 HydrophobicContact CG-CD2 4.04Å; L1686-L1721 HydrophobicContact CB-CD1 4.39Å; F1687-L1721 HydrophobicContact CB-CD1 4.17Å; F1687-L1721 HydrophobicContact CD2-CB 4.48Å; L1717-L1721 HydrophobicContact CD2-CD1 3.97Å; L1717-L1721 HydrophobicContact CG-CD1 4.05Å; L1717-L1721 WeakPolarHBondContact O-CB 3.45Å; L1717-L1721 WeakPolarHBondContact O-CG 3.35Å; L1717-L1721 PolarHBondContact O-N 3.1Å; I1718-L1721 PolarHBondContact O-N 3.23Å; L1721-D1723 PolarHBondContact O-N 2.78Å; L1721-H1724 PolarHBondContact O-N 3.05Å; L1721-H1724 VanDerWaalsContact O-N 3.11Å; L1721-N1725 PolarHBondContact O-N 3.27Å |
| 1722 | W | 68.2 | Low | 65.4 | Low | 12 Ų | 12 | 42.3 Ų | 42.3 | 5% | 0.045 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.9 | 176.4 | -161.3 | -81.7 | 0 | 0 | 0 | 113.3 | I1718 H1724 L1730 F1731 L1734 L1770 | I1718-W1722 HydrophobicContact CG2-CE3 4.5Å; I1718-W1722 VanDerWaalsContact O-CB 3.27Å; I1718-W1722 WeakPolarHBondContact O-CB 3.4Å; I1718-W1722 PolarHBondContact O-N 3.13Å; W1722-H1724 VanDerWaalsContact C-N 3.29Å; W1722-H1724 PolarHBondContact O-N 2.92Å; W1722-L1730 HydrophobicContact CB-CD1 4.45Å; W1722-L1730 HydrophobicContact CD2-CD1 3.96Å; W1722-L1730 HydrophobicContact CE3-CB 3.85Å; W1722-L1730 HydrophobicContact CE3-CD1 3.64Å; W1722-L1730 HydrophobicContact CE3-CG 4.44Å; W1722-L1730 HydrophobicContact CG-CD1 4.34Å; W1722-L1730 HydrophobicContact CH2-CB 3.79Å; W1722-L1730 HydrophobicContact CZ3-CB 3.41Å; W1722-L1730 VanDerWaalsContact CZ3-CB 3.41Å; W1722-L1730 HydrophobicContact CZ3-CD1 4.12Å; W1722-L1730 HydrophobicContact CZ3-CG 4.44Å; W1722-F1731 HydrophobicContact CH2-CB 4.46Å; W1722-L1734 HydrophobicContact CH2-CD1 4.11Å; W1722-L1734 HydrophobicContact CZ3-CD1 3.61Å; W1722-L1770 HydrophobicContact CH2-CD2 3.52Å; W1722-L1770 HydrophobicContact CZ2-CD2 3.59Å; W1722-L1770 HydrophobicContact CZ3-CD2 4.49Å |
| 1723 | D | 63 | Low | 65.1 | Low | 55 Ų | 55 | 46.6 Ų | 46.6 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -6.7 | -178.6 | -68.6 | -26.1 | 0 | 0 | 0 | 113.6 | L1721 K1769 T2062 | L1721-D1723 PolarHBondContact O-N 2.78Å; D1723-K1769 IonicContact OD1-NZ 2.7Å; D1723-K1769 PolarHBondContact OD1-NZ 3.37Å; D1723-K1769 IonicContact OD2-NZ 3.21Å; D1723-K1769 PolarHBondContact OD2-NZ 3.45Å; D1723-T2062 HydrophobicContact CB-CG2 3.99Å; D1723-T2062 WeakPolarHBondContact OD1-CG2 3.41Å; D1723-T2062 VanDerWaalsContact OD2-CG2 3.28Å; D1723-T2062 WeakPolarHBondContact OD2-CG2 3.32Å |
| 1724 | H | 59.3 | Low | 65 | Low | 75 Ų | 75 | 45.6 Ų | 45.6 | 35% | 0.347 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -20 | -178.4 | -73.8 | -61 | 0 | 0 | 0 | 114.3 | N1666 L1721 W1722 | N1666-H1724 PolarHBondContact ND2-NE2 3.04Å; N1666-H1724 VanDerWaalsContact ND2-NE2 3.15Å; L1721-H1724 PolarHBondContact O-N 3.05Å; L1721-H1724 VanDerWaalsContact O-N 3.11Å; W1722-H1724 VanDerWaalsContact C-N 3.29Å; W1722-H1724 PolarHBondContact O-N 2.92Å |
| 1725 | N | 52.9 | Low | 64.7 | Low | 49 Ų | 49 | 47.4 Ų | 47.4 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -114.8 | 161.8 | -171.5 | -71.7 | 6.5 | 0 | 0 | 0 | 113.6 | Q1683 L1721 S1727 L1730 | Q1683-N1725 PolarHBondContact NE2-OD1 3.07Å; L1721-N1725 PolarHBondContact O-N 3.27Å; N1725-S1727 PolarHBondContact O-N 3.4Å; N1725-L1730 HydrophobicContact CB-CD1 4.15Å |
| 1726 | Q | 54.2 | Low | 64.5 | Low | 165 Ų | 165 | 53.5 Ų | 53.5 | 77% | 0.771 | 28% | 0.275 | S | S | * | . | trans | -67.5 | 116.4 | 178.7 | -63.9 | -168.1 | 26.8 | 0 | 0 | 111.8 | T1728 M1729 | Q1726-T1728 PolarHBondContact O-N 3.01Å; Q1726-M1729 PolarHBondContact O-N 3.43Å | ||
| 1727 | S | 57.5 | Low | 64.2 | Low | 37 Ų | 37 | 52.2 Ų | 52.2 | 26% | 0.259 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.1 | -13.1 | -164.9 | 61 | 0 | 0 | 0 | 0 | 116.5 | N1725 F1731 | N1725-S1727 PolarHBondContact O-N 3.4Å; S1727-F1731 PolarHBondContact O-N 3.5Å |
| 1728 | T | 58.3 | Low | 64.1 | Low | 95 Ų | 95 | 53.7 Ų | 53.7 | 58% | 0.583 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -75 | -40.8 | 180 | 43.8 | 0 | 0 | 0 | 0 | 112.8 | Q1726 F1731 T1732 | Q1726-T1728 PolarHBondContact O-N 3.01Å; T1728-F1731 PolarHBondContact O-N 3.07Å; T1728-T1732 PolarHBondContact O-N 3.06Å |
| 1729 | M | 59.7 | Low | 64 | Low | 124 Ų | 124 | 53.8 Ų | 53.8 | 61% | 0.611 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -75.5 | -28.4 | -178.1 | -171.4 | 175 | 179.5 | 0 | 0 | 112.5 | Q1726 T1732 R1733 | Q1726-M1729 PolarHBondContact O-N 3.43Å; M1729-T1732 PolarHBondContact O-OG1 2.99Å; M1729-R1733 WeakPolarHBondContact O-CG 3.47Å; M1729-R1733 PolarHBondContact O-N 3.05Å |
| 1730 | L | 61.7 | Low | 64.1 | Low | 13 Ų | 13 | 52.8 Ų | 52.8 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.2 | -34 | 172.8 | -55.2 | -171.6 | 0 | 0 | 0 | 111.9 | F1687 W1722 N1725 L1734 | F1687-L1730 HydrophobicContact CD1-CD2 3.99Å; F1687-L1730 HydrophobicContact CD2-CD2 4.09Å; F1687-L1730 HydrophobicContact CE1-CB 4.45Å; F1687-L1730 HydrophobicContact CE1-CD2 3.81Å; F1687-L1730 HydrophobicContact CE2-CB 4.3Å; F1687-L1730 HydrophobicContact CE2-CD1 4.11Å; F1687-L1730 HydrophobicContact CE2-CD2 3.91Å; F1687-L1730 HydrophobicContact CE2-CG 4.33Å; F1687-L1730 HydrophobicContact CG-CD2 4.13Å; F1687-L1730 HydrophobicContact CZ-CB 3.87Å; F1687-L1730 HydrophobicContact CZ-CD1 4.48Å; F1687-L1730 HydrophobicContact CZ-CD2 3.78Å; F1687-L1730 HydrophobicContact CZ-CG 4.24Å; W1722-L1730 HydrophobicContact CB-CD1 4.45Å; W1722-L1730 HydrophobicContact CD2-CD1 3.96Å; W1722-L1730 HydrophobicContact CE3-CB 3.85Å; W1722-L1730 HydrophobicContact CE3-CD1 3.64Å; W1722-L1730 HydrophobicContact CE3-CG 4.44Å; W1722-L1730 HydrophobicContact CG-CD1 4.34Å; W1722-L1730 HydrophobicContact CH2-CB 3.79Å; W1722-L1730 HydrophobicContact CZ3-CB 3.41Å; W1722-L1730 VanDerWaalsContact CZ3-CB 3.41Å; W1722-L1730 HydrophobicContact CZ3-CD1 4.12Å; W1722-L1730 HydrophobicContact CZ3-CG 4.44Å; N1725-L1730 HydrophobicContact CB-CD1 4.15Å; L1730-L1734 PolarHBondContact O-N 2.93Å |
| 1731 | F | 63.9 | Low | 64.4 | Low | 21 Ų | 21 | 54 Ų | 54 | 9% | 0.092 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.8 | -47 | 177.3 | 175.1 | -104.2 | 0 | 0 | 0 | 112.1 | W1722 S1727 T1728 R1733 L1734 T1735 L1740 L1770 I1820 L1823 | W1722-F1731 HydrophobicContact CH2-CB 4.46Å; S1727-F1731 PolarHBondContact O-N 3.5Å; T1728-F1731 PolarHBondContact O-N 3.07Å; F1731-R1733 VanDerWaalsContact C-N 3.34Å; F1731-R1733 PolarHBondContact O-N 3.12Å; F1731-L1734 PolarHBondContact O-N 3.23Å; F1731-L1734 VanDerWaalsContact O-N 3.1Å; F1731-T1735 HydrophobicContact CD1-CG2 4.46Å; F1731-T1735 HydrophobicContact CD2-CG2 4.48Å; F1731-T1735 HydrophobicContact CE1-CG2 3.84Å; F1731-T1735 HydrophobicContact CE2-CG2 3.86Å; F1731-T1735 HydrophobicContact CZ-CG2 3.5Å; F1731-T1735 PolarHBondContact O-N 3.4Å; F1731-T1735 PolarHBondContact O-OG1 2.95Å; F1731-L1740 HydrophobicContact CE2-CD1 4.17Å; F1731-L1770 HydrophobicContact CD2-CD2 4.01Å; F1731-I1820 HydrophobicContact CD1-CD1 4.4Å; F1731-I1820 HydrophobicContact CD1-CG1 4.03Å; F1731-I1820 HydrophobicContact CD2-CD1 4.42Å; F1731-I1820 HydrophobicContact CD2-CG1 4.22Å; F1731-I1820 HydrophobicContact CD2-CG2 4.27Å; F1731-I1820 HydrophobicContact CE1-CG1 3.87Å; F1731-I1820 HydrophobicContact CE2-CB 4.38Å; F1731-I1820 HydrophobicContact CE2-CG1 4.07Å; F1731-I1820 HydrophobicContact CE2-CG2 3.84Å; F1731-I1820 HydrophobicContact CG-CD1 4.24Å; F1731-I1820 HydrophobicContact CG-CG1 4.19Å; F1731-I1820 HydrophobicContact CZ-CB 4.32Å; F1731-I1820 HydrophobicContact CZ-CG1 3.89Å; F1731-I1820 HydrophobicContact CZ-CG2 4.25Å; F1731-L1823 HydrophobicContact CZ-CD1 4.47Å; F1731-L1823 HydrophobicContact CZ-CD2 4.49Å |
| 1732 | T | 65.7 | Low | 64.7 | Low | 62 Ų | 62 | 55.4 Ų | 55.4 | 38% | 0.38 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 178.5 | 56.3 | 0 | 0 | 0 | 0 | 111.1 | T1728 M1729 L1734 T1735 D1736 | T1728-T1732 PolarHBondContact O-N 3.06Å; M1729-T1732 PolarHBondContact O-OG1 2.99Å; T1732-L1734 PolarHBondContact O-N 3.18Å; T1732-T1735 WeakPolarHBondContact CA-OG1 3.4Å; T1732-T1735 PolarHBondContact O-N 3.35Å; T1732-T1735 VanDerWaalsContact O-N 3.11Å; T1732-T1735 PolarHBondContact O-OG1 3.19Å; T1732-D1736 WeakPolarHBondContact O-CB 3.1Å; T1732-D1736 PolarHBondContact O-N 3.26Å; T1732-D1736 VanDerWaalsContact O-OD1 3.13Å |
| 1733 | R | 64.2 | Low | 65 | Low | 111 Ų | 111 | 55 Ų | 55 | 42% | 0.419 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.1 | -35.4 | 174.1 | -70.9 | -85.4 | 169.9 | 142.2 | -9.7 | 113.2 | F1687 N1688 M1729 F1731 A1737 | F1687-R1733 HydrophobicContact CE1-CB 3.96Å; F1687-R1733 HydrophobicContact CE1-CG 4.49Å; N1688-R1733 VanDerWaalsContact CG-NH1 3.3Å; N1688-R1733 PolarHBondContact ND2-NH1 3.12Å; N1688-R1733 PolarHBondContact OD1-NH1 2.92Å; M1729-R1733 WeakPolarHBondContact O-CG 3.47Å; M1729-R1733 PolarHBondContact O-N 3.05Å; F1731-R1733 VanDerWaalsContact C-N 3.34Å; F1731-R1733 PolarHBondContact O-N 3.12Å; R1733-A1737 WeakPolarHBondContact O-CB 3.37Å; R1733-A1737 PolarHBondContact O-N 3.44Å |
| 1734 | L | 66.9 | Low | 65.6 | Low | 6 Ų | 6 | 52.5 Ų | 52.5 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -78.5 | -31.4 | 176.3 | -74.2 | 178.6 | 0 | 0 | 0 | 114.1 | V1691 W1722 L1730 F1731 T1732 V1739 | V1691-L1734 HydrophobicContact CG1-CD2 4.18Å; V1691-L1734 HydrophobicContact CG2-CD2 3.84Å; W1722-L1734 HydrophobicContact CH2-CD1 4.11Å; W1722-L1734 HydrophobicContact CZ3-CD1 3.61Å; L1730-L1734 PolarHBondContact O-N 2.93Å; F1731-L1734 PolarHBondContact O-N 3.23Å; F1731-L1734 VanDerWaalsContact O-N 3.1Å; T1732-L1734 PolarHBondContact O-N 3.18Å; L1734-V1739 HydrophobicContact CD2-CB 4.49Å; L1734-V1739 PolarHBondContact O-N 3.22Å |
| 1735 | T | 67.1 | Low | 66.4 | Low | 39 Ų | 39 | 52 Ų | 52 | 24% | 0.239 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.5 | -45 | 173 | 49.5 | 0 | 0 | 0 | 0 | 111.6 | F1731 T1732 A1737 G1738 L1740 L1823 | F1731-T1735 HydrophobicContact CD1-CG2 4.46Å; F1731-T1735 HydrophobicContact CD2-CG2 4.48Å; F1731-T1735 HydrophobicContact CE1-CG2 3.84Å; F1731-T1735 HydrophobicContact CE2-CG2 3.86Å; F1731-T1735 HydrophobicContact CZ-CG2 3.5Å; F1731-T1735 PolarHBondContact O-N 3.4Å; F1731-T1735 PolarHBondContact O-OG1 2.95Å; T1732-T1735 WeakPolarHBondContact CA-OG1 3.4Å; T1732-T1735 PolarHBondContact O-N 3.35Å; T1732-T1735 VanDerWaalsContact O-N 3.11Å; T1732-T1735 PolarHBondContact O-OG1 3.19Å; T1735-A1737 VanDerWaalsContact C-N 3.26Å; T1735-A1737 PolarHBondContact O-N 2.94Å; T1735-G1738 PolarHBondContact O-N 3.09Å; T1735-L1740 HydrophobicContact CG2-CD1 3.83Å; T1735-L1823 HydrophobicContact CG2-CD1 4.43Å; T1735-L1823 HydrophobicContact CG2-CD2 4.45Å |
| 1736 | D | 68.8 | Low | 67.5 | Low | 130 Ų | 130 | 50 Ų | 50 | 70% | 0.695 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -68.6 | -28.6 | -172.9 | -56.1 | -11.5 | 0 | 0 | 0 | 111.4 | T1732 G1738 | T1732-D1736 WeakPolarHBondContact O-CB 3.1Å; T1732-D1736 PolarHBondContact O-N 3.26Å; T1732-D1736 VanDerWaalsContact O-OD1 3.13Å; D1736-G1738 VanDerWaalsContact C-N 3.32Å |
| 1737 | A | 65.2 | Low | 68.5 | Low | 43 Ų | 43 | 42.1 Ų | 42.1 | 36% | 0.355 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 0.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1691 R1733 T1735 V1739 | V1691-A1737 HydrophobicContact CG1-CB 4.05Å; R1733-A1737 WeakPolarHBondContact O-CB 3.37Å; R1733-A1737 PolarHBondContact O-N 3.44Å; T1735-A1737 VanDerWaalsContact C-N 3.26Å; T1735-A1737 PolarHBondContact O-N 2.94Å; A1737-V1739 HydrophobicContact CB-CG2 3.87Å; A1737-V1739 PolarHBondContact O-N 3.43Å; A1737-V1739 VanDerWaalsContact O-N 3.12Å |
| 1738 | G | 67.6 | Low | 69.3 | Low | 34 Ų | 34 | 41 Ų | 41 | 35% | 0.351 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | T1735 D1736 L1740 N1741 | T1735-G1738 PolarHBondContact O-N 3.09Å; D1736-G1738 VanDerWaalsContact C-N 3.32Å; G1738-L1740 VanDerWaalsContact C-N 3.27Å; G1738-L1740 PolarHBondContact O-N 3.37Å; G1738-N1741 PolarHBondContact O-N 3.34Å; G1738-N1741 VanDerWaalsContact O-N 3.13Å |
| 1739 | V | 71.8 | Confident | 70 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.6 | -35.4 | -169.1 | -177.1 | 0 | 0 | 0 | 0 | 112.9 | V1691 L1694 L1734 A1737 N1741 N1742 I1743 | V1691-V1739 HydrophobicContact CG1-CG2 4.43Å; L1694-V1739 HydrophobicContact CD2-CG1 3.86Å; L1694-V1739 HydrophobicContact CG-CG1 3.98Å; L1734-V1739 HydrophobicContact CD2-CB 4.49Å; L1734-V1739 PolarHBondContact O-N 3.22Å; A1737-V1739 HydrophobicContact CB-CG2 3.87Å; A1737-V1739 PolarHBondContact O-N 3.43Å; A1737-V1739 VanDerWaalsContact O-N 3.12Å; V1739-N1741 VanDerWaalsContact C-N 3.34Å; V1739-N1741 PolarHBondContact O-N 2.82Å; V1739-N1742 PolarHBondContact O-N 3.15Å; V1739-I1743 HydrophobicContact CG1-CD1 3.79Å; V1739-I1743 HydrophobicContact CG1-CG1 4.17Å; V1739-I1743 WeakPolarHBondContact O-CG1 3.48Å; V1739-I1743 PolarHBondContact O-N 3.27Å |
| 1740 | L | 71.8 | Confident | 70.6 | Confident | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60 | -40 | 179.1 | -83.1 | 162.3 | 0 | 0 | 0 | 113.2 | F1731 T1735 G1738 I1743 F1744 L1767 L1770 L1823 | F1731-L1740 HydrophobicContact CE2-CD1 4.17Å; T1735-L1740 HydrophobicContact CG2-CD1 3.83Å; G1738-L1740 VanDerWaalsContact C-N 3.27Å; G1738-L1740 PolarHBondContact O-N 3.37Å; L1740-I1743 PolarHBondContact O-N 2.99Å; L1740-F1744 HydrophobicContact CD2-CE2 4.39Å; L1740-F1744 WeakPolarHBondContact O-CD2 2.99Å; L1740-F1744 PolarHBondContact O-N 3.39Å; L1740-F1744 VanDerWaalsContact O-N 3.15Å; L1740-L1767 HydrophobicContact CD2-CD2 4.03Å; L1740-L1770 HydrophobicContact CD2-CD1 4.06Å; L1740-L1823 HydrophobicContact CD1-CD2 4.41Å |
| 1741 | N | 75.7 | Confident | 71 | Confident | 55 Ų | 55 | 34.6 Ų | 34.6 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 178 | -177.7 | 81.4 | 0 | 0 | 0 | 110.9 | G1738 V1739 I1743 F1744 I1745 Y1827 | G1738-N1741 PolarHBondContact O-N 3.34Å; G1738-N1741 VanDerWaalsContact O-N 3.13Å; V1739-N1741 VanDerWaalsContact C-N 3.34Å; V1739-N1741 PolarHBondContact O-N 2.82Å; N1741-I1743 PolarHBondContact O-N 3.15Å; N1741-F1744 PolarHBondContact O-N 2.94Å; N1741-I1745 WeakPolarHBondContact O-CG1 3.25Å; N1741-I1745 PolarHBondContact O-N 3.3Å; N1741-Y1827 HydrophobicContact CB-CE1 4.25Å; N1741-Y1827 WeakPolarHBondContact OD1-CE1 3.49Å |
| 1742 | N | 74.4 | Confident | 71.3 | Confident | 28 Ų | 28 | 39.2 Ų | 39.2 | 15% | 0.15 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 176.5 | -62.7 | 1.3 | 0 | 0 | 0 | 111.1 | T1698 V1739 F1744 I1745 L1746 | T1698-N1742 WeakPolarHBondContact O-CB 3.07Å; T1698-N1742 WeakPolarHBondContact OG1-CB 3.3Å; T1698-N1742 PolarHBondContact OG1-ND2 3Å; T1698-N1742 VanDerWaalsContact OG1-ND2 3.11Å; V1739-N1742 PolarHBondContact O-N 3.15Å; N1742-F1744 VanDerWaalsContact C-N 3.33Å; N1742-F1744 PolarHBondContact O-N 3.37Å; N1742-I1745 PolarHBondContact O-N 3.21Å; N1742-L1746 WeakPolarHBondContact O-CB 3.45Å; N1742-L1746 PolarHBondContact O-N 3.45Å |
| 1743 | I | 76 | Confident | 71.5 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.3 | -42.4 | 178.5 | -76.8 | 175.7 | 0 | 0 | 0 | 112 | V1739 L1740 N1741 L1746 L1747 L1763 L1766 | V1739-I1743 HydrophobicContact CG1-CD1 3.79Å; V1739-I1743 HydrophobicContact CG1-CG1 4.17Å; V1739-I1743 WeakPolarHBondContact O-CG1 3.48Å; V1739-I1743 PolarHBondContact O-N 3.27Å; L1740-I1743 PolarHBondContact O-N 2.99Å; N1741-I1743 PolarHBondContact O-N 3.15Å; I1743-L1746 WeakPolarHBondContact O-CB 3.43Å; I1743-L1746 PolarHBondContact O-N 3.41Å; I1743-L1747 WeakPolarHBondContact O-CB 3.26Å; I1743-L1747 PolarHBondContact O-N 3.29Å; I1743-L1763 HydrophobicContact CD1-CD2 4.37Å; I1743-L1763 HydrophobicContact CG1-CD2 4.09Å; I1743-L1763 HydrophobicContact CG2-CD2 4.14Å; I1743-L1766 HydrophobicContact CD1-CD2 4.19Å |
| 1744 | F | 75 | Confident | 71.6 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.4 | -39.5 | 177.9 | -72.5 | -59.9 | 0 | 0 | 0 | 112.6 | L1740 N1741 N1742 L1747 T1748 L1767 I1824 Y1827 I1831 | L1740-F1744 HydrophobicContact CD2-CE2 4.39Å; L1740-F1744 WeakPolarHBondContact O-CD2 2.99Å; L1740-F1744 PolarHBondContact O-N 3.39Å; L1740-F1744 VanDerWaalsContact O-N 3.15Å; N1741-F1744 PolarHBondContact O-N 2.94Å; N1742-F1744 VanDerWaalsContact C-N 3.33Å; N1742-F1744 PolarHBondContact O-N 3.37Å; F1744-L1747 PolarHBondContact O-N 3.25Å; F1744-T1748 PolarHBondContact O-N 3.01Å; F1744-L1767 HydrophobicContact CD1-CD1 4.38Å; F1744-L1767 HydrophobicContact CE1-CD1 3.7Å; F1744-L1767 HydrophobicContact CE1-CD2 4.02Å; F1744-L1767 HydrophobicContact CZ-CD1 4.3Å; F1744-L1767 HydrophobicContact CZ-CD2 3.75Å; F1744-I1824 HydrophobicContact CZ-CG2 4.29Å; F1744-Y1827 AromaticContact CD2-CD1 4Å; F1744-Y1827 HydrophobicContact CD2-CD1 4Å; F1744-Y1827 AromaticContact CD2-CD2 3.86Å; F1744-Y1827 HydrophobicContact CD2-CD2 3.86Å; F1744-Y1827 HydrophobicContact CD2-CE2 4.48Å; F1744-Y1827 AromaticContact CD2-CG 3.59Å; F1744-Y1827 HydrophobicContact CD2-CG 3.59Å; F1744-Y1827 AromaticContact CE2-CD2 3.61Å; F1744-Y1827 HydrophobicContact CE2-CD2 3.61Å; F1744-Y1827 HydrophobicContact CE2-CE2 4.33Å; F1744-Y1827 AromaticContact CE2-CG 3.76Å; F1744-Y1827 HydrophobicContact CE2-CG 3.76Å; F1744-Y1827 HydrophobicContact CG-CG 4.44Å; F1744-I1831 HydrophobicContact CD1-CD1 4.49Å; F1744-I1831 HydrophobicContact CD1-CG1 3.85Å; F1744-I1831 HydrophobicContact CE1-CD1 3.83Å; F1744-I1831 HydrophobicContact CE1-CG1 3.63Å; F1744-I1831 HydrophobicContact CZ-CD1 4.18Å; F1744-I1831 HydrophobicContact CZ-CG1 4.42Å |
| 1745 | I | 75.8 | Confident | 71.5 | Confident | 65 Ų | 65 | 45.3 Ų | 45.3 | 33% | 0.333 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.7 | -47.9 | 173.6 | -64.8 | 166.8 | 0 | 0 | 0 | 110.3 | N1741 N1742 L1747 T1748 E1749 Y1830 | N1741-I1745 WeakPolarHBondContact O-CG1 3.25Å; N1741-I1745 PolarHBondContact O-N 3.3Å; N1742-I1745 PolarHBondContact O-N 3.21Å; I1745-L1747 PolarHBondContact O-N 2.84Å; I1745-T1748 PolarHBondContact O-N 3.34Å; I1745-T1748 PolarHBondContact O-OG1 2.84Å; I1745-E1749 PolarHBondContact O-N 3.34Å; I1745-Y1830 HydrophobicContact CG1-CD1 4.42Å; I1745-Y1830 HydrophobicContact CG1-CE1 4.13Å |
| 1746 | L | 75.1 | Confident | 71.6 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.5 | -42.5 | 177.5 | -147.1 | 77.2 | 0 | 0 | 0 | 111.5 | T1698 I1703 N1742 I1743 T1748 E1749 C1750 L1759 L1763 | T1698-L1746 HydrophobicContact CG2-CD2 4.27Å; I1703-L1746 HydrophobicContact CD1-CD1 3.66Å; I1703-L1746 HydrophobicContact CD1-CD2 3.81Å; I1703-L1746 HydrophobicContact CD1-CG 3.7Å; I1703-L1746 HydrophobicContact CG1-CD1 4.01Å; N1742-L1746 WeakPolarHBondContact O-CB 3.45Å; N1742-L1746 PolarHBondContact O-N 3.45Å; I1743-L1746 WeakPolarHBondContact O-CB 3.43Å; I1743-L1746 PolarHBondContact O-N 3.41Å; L1746-T1748 PolarHBondContact O-N 3.22Å; L1746-E1749 PolarHBondContact O-N 2.92Å; L1746-C1750 WeakPolarHBondContact O-CB 3.49Å; L1746-C1750 PolarHBondContact O-N 2.99Å; L1746-C1750 PolarHBondContact O-SG 2.98Å; L1746-L1759 HydrophobicContact CD2-CD2 4.03Å; L1746-L1763 HydrophobicContact CD2-CD1 4.09Å |
| 1747 | L | 76.1 | Confident | 71.6 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 178.5 | -161.2 | 73 | 0 | 0 | 0 | 112.2 | I1743 F1744 I1745 E1749 C1750 T1751 L1763 I1764 A1834 F1835 | I1743-L1747 WeakPolarHBondContact O-CB 3.26Å; I1743-L1747 PolarHBondContact O-N 3.29Å; F1744-L1747 PolarHBondContact O-N 3.25Å; I1745-L1747 PolarHBondContact O-N 2.84Å; L1747-E1749 VanDerWaalsContact C-N 3.28Å; L1747-E1749 PolarHBondContact O-N 3.25Å; L1747-C1750 PolarHBondContact O-N 3.31Å; L1747-T1751 PolarHBondContact O-N 3.37Å; L1747-T1751 VanDerWaalsContact O-N 3.12Å; L1747-T1751 PolarHBondContact O-OG1 3.26Å; L1747-L1763 HydrophobicContact CD1-CB 4.23Å; L1747-L1763 HydrophobicContact CD1-CD1 4.35Å; L1747-I1764 HydrophobicContact CD1-CD1 4.09Å; L1747-I1764 HydrophobicContact CD1-CG1 3.75Å; L1747-I1764 HydrophobicContact CD2-CG1 4.11Å; L1747-A1834 HydrophobicContact CB-CB 4.34Å; L1747-A1834 HydrophobicContact CD2-CB 3.89Å; L1747-A1834 HydrophobicContact CG-CB 4.01Å; L1747-F1835 HydrophobicContact CD2-CE1 4.16Å |
| 1748 | T | 75.4 | Confident | 71.9 | Confident | 12 Ų | 12 | 36.6 Ų | 36.6 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -24.4 | 179.5 | 61.3 | 0 | 0 | 0 | 0 | 114.4 | F1744 I1745 L1746 K1752 Y1830 Q1833 A1834 | F1744-T1748 PolarHBondContact O-N 3.01Å; I1745-T1748 PolarHBondContact O-N 3.34Å; I1745-T1748 PolarHBondContact O-OG1 2.84Å; L1746-T1748 PolarHBondContact O-N 3.22Å; T1748-K1752 WeakPolarHBondContact O-CE 3.42Å; T1748-K1752 PolarHBondContact O-NZ 3.22Å; T1748-Y1830 WeakPolarHBondContact CG2-O 3.24Å; T1748-Q1833 HydrophobicContact CG2-CB 4.03Å; T1748-A1834 HydrophobicContact CG2-CB 3.88Å |
| 1749 | E | 72.9 | Confident | 72.2 | Confident | 78 Ų | 78 | 35.1 Ų | 35.1 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -88.9 | -37.7 | 171.4 | -63.7 | -50 | 136.7 | 0 | 0 | 112 | I1745 L1746 L1747 T1751 K1752 | I1745-E1749 PolarHBondContact O-N 3.34Å; L1746-E1749 PolarHBondContact O-N 2.92Å; L1747-E1749 VanDerWaalsContact C-N 3.28Å; L1747-E1749 PolarHBondContact O-N 3.25Å; E1749-T1751 VanDerWaalsContact C-N 3.31Å; E1749-T1751 PolarHBondContact O-N 3Å; E1749-K1752 WeakPolarHBondContact O-CB 3.44Å; E1749-K1752 PolarHBondContact O-N 3.13Å; E1749-K1752 VanDerWaalsContact O-N 3.11Å; E1749-K1752 IonicContact OE1-NZ 3.26Å; E1749-K1752 PolarHBondContact OE1-NZ 3.13Å; E1749-K1752 WeakPolarHBondContact OE2-CD 3.47Å; E1749-K1752 IonicContact OE2-NZ 2.66Å; E1749-K1752 PolarHBondContact OE2-NZ 3.07Å |
| 1750 | C | 71.8 | Confident | 72.4 | Confident | 12 Ų | 12 | 35.1 Ų | 35.1 | 8% | 0.081 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.5 | -27.4 | -177.3 | -65.1 | 0 | 0 | 0 | 0 | 113.7 | L1746 L1747 K1752 L1753 L1759 | L1746-C1750 WeakPolarHBondContact O-CB 3.49Å; L1746-C1750 PolarHBondContact O-N 2.99Å; L1746-C1750 PolarHBondContact O-SG 2.98Å; L1747-C1750 PolarHBondContact O-N 3.31Å; C1750-K1752 PolarHBondContact O-N 3.27Å; C1750-L1753 PolarHBondContact O-N 3.5Å; C1750-L1759 HydrophobicContact CB-CD2 4.49Å; C1750-L1759 WeakPolarHBondContact SG-CD2 3.43Å |
| 1751 | T | 70.8 | Confident | 72.9 | Confident | 9 Ų | 9 | 35.4 Ų | 35.4 | 6% | 0.055 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -11.1 | 174.7 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | L1747 E1749 A1834 | L1747-T1751 PolarHBondContact O-N 3.37Å; L1747-T1751 VanDerWaalsContact O-N 3.12Å; L1747-T1751 PolarHBondContact O-OG1 3.26Å; E1749-T1751 VanDerWaalsContact C-N 3.31Å; E1749-T1751 PolarHBondContact O-N 3Å; T1751-A1834 VanDerWaalsContact CB-O 3.25Å; T1751-A1834 WeakPolarHBondContact CB-O 3.44Å; T1751-A1834 WeakPolarHBondContact CG2-O 3.34Å; T1751-A1834 PolarHBondContact OG1-O 3.22Å |
| 1752 | K | 69.8 | Low | 72.8 | Confident | 118 Ų | 118 | 33.6 Ų | 33.6 | 51% | 0.513 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -17.6 | 175 | -57.3 | 170.6 | -170.9 | 157 | 0 | 113.4 | T1748 E1749 C1750 | T1748-K1752 WeakPolarHBondContact O-CE 3.42Å; T1748-K1752 PolarHBondContact O-NZ 3.22Å; E1749-K1752 WeakPolarHBondContact O-CB 3.44Å; E1749-K1752 PolarHBondContact O-N 3.13Å; E1749-K1752 VanDerWaalsContact O-N 3.11Å; E1749-K1752 IonicContact OE1-NZ 3.26Å; E1749-K1752 PolarHBondContact OE1-NZ 3.13Å; E1749-K1752 WeakPolarHBondContact OE2-CD 3.47Å; E1749-K1752 IonicContact OE2-NZ 2.66Å; E1749-K1752 PolarHBondContact OE2-NZ 3.07Å; C1750-K1752 PolarHBondContact O-N 3.27Å |
| 1753 | L | 69.4 | Low | 72.9 | Confident | 108 Ų | 108 | 32.3 Ų | 32.3 | 57% | 0.565 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -108.7 | 120.6 | -169.6 | -66.8 | 174 | 0 | 0 | 0 | 111.5 | C1750 D1755 G1756 W1877 | C1750-L1753 PolarHBondContact O-N 3.5Å; L1753-D1755 VanDerWaalsContact C-N 3.27Å; L1753-D1755 PolarHBondContact O-N 3.02Å; L1753-D1755 VanDerWaalsContact O-N 3.11Å; L1753-G1756 PolarHBondContact O-N 3.18Å; L1753-W1877 WeakPolarHBondContact O-CZ2 3.3Å |
| 1754 | K | 66.6 | Low | 73 | Confident | 92 Ų | 92 | 32.1 Ų | 32.1 | 40% | 0.4 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -50.2 | -40.6 | -175.2 | -171.2 | -173.8 | -176.6 | -175.9 | 0 | 114.6 | G1756 W1846 D1849 W1877 | K1754-G1756 VanDerWaalsContact C-N 3.34Å; K1754-W1846 HydrophobicContact CB-CD2 4.35Å; K1754-W1846 HydrophobicContact CB-CZ2 3.99Å; K1754-W1846 HydrophobicContact CG-CD2 4.09Å; K1754-W1846 HydrophobicContact CG-CG 4.12Å; K1754-D1849 WeakPolarHBondContact CE-OD2 3.33Å; K1754-D1849 IonicContact NZ-OD2 2.68Å; K1754-D1849 PolarHBondContact NZ-OD2 3.21Å; K1754-W1877 PolarHBondContact O-NE1 3.06Å |
| 1755 | D | 63.8 | Low | 73.2 | Confident | 107 Ų | 107 | 33.4 Ų | 33.4 | 57% | 0.572 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | -75.8 | -18.6 | -178.4 | -77.4 | 23.3 | 0 | 0 | 0 | 112.9 | R1705 L1753 A1757 | R1705-D1755 IonicContact NH2-OD2 3.07Å; R1705-D1755 PolarHBondContact NH2-OD2 3.38Å; R1705-D1755 VanDerWaalsContact NH2-OD2 3.09Å; L1753-D1755 VanDerWaalsContact C-N 3.27Å; L1753-D1755 PolarHBondContact O-N 3.02Å; L1753-D1755 VanDerWaalsContact O-N 3.11Å; D1755-A1757 PolarHBondContact O-N 2.93Å |
| 1756 | G | 69.5 | Low | 73.2 | Confident | 11 Ų | 11 | 30.7 Ų | 30.7 | 11% | 0.113 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -72.8 | 4.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | L1753 K1754 T1758 L1759 S1760 | L1753-G1756 PolarHBondContact O-N 3.18Å; K1754-G1756 VanDerWaalsContact C-N 3.34Å; G1756-T1758 VanDerWaalsContact C-N 3.32Å; G1756-T1758 PolarHBondContact O-N 2.97Å; G1756-L1759 PolarHBondContact O-N 3.42Å; G1756-S1760 WeakPolarHBondContact O-CB 3.34Å; G1756-S1760 PolarHBondContact O-N 2.96Å; G1756-S1760 PolarHBondContact O-OG 3.33Å |
| 1757 | A | 69.8 | Low | 73.3 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 6% | 0.058 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.3 | -30.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | D1755 S1760 H1761 Y1875 W1877 V1880 | D1755-A1757 PolarHBondContact O-N 2.93Å; A1757-S1760 WeakPolarHBondContact CA-OG 3.26Å; A1757-S1760 PolarHBondContact O-OG 3.05Å; A1757-H1761 VanDerWaalsContact O-CB 3.26Å; A1757-H1761 WeakPolarHBondContact O-CB 3.46Å; A1757-H1761 PolarHBondContact O-N 3.46Å; A1757-H1761 VanDerWaalsContact O-N 3.1Å; A1757-Y1875 WeakPolarHBondContact CB-O 3.39Å; A1757-W1877 HydrophobicContact CB-CD2 4.15Å; A1757-W1877 HydrophobicContact CB-CG 4.44Å; A1757-W1877 HydrophobicContact CB-CZ2 3.92Å; A1757-V1880 HydrophobicContact CB-CG2 3.94Å |
| 1758 | T | 70.2 | Confident | 73.2 | Confident | 10 Ų | 10 | 31.6 Ų | 31.6 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.9 | -48.7 | 174.7 | 34.2 | 0 | 0 | 0 | 0 | 112.1 | E1708 G1756 S1762 | E1708-T1758 PolarHBondContact OE1-OG1 3.26Å; G1756-T1758 VanDerWaalsContact C-N 3.32Å; G1756-T1758 PolarHBondContact O-N 2.97Å; T1758-S1762 WeakPolarHBondContact O-CB 3.45Å; T1758-S1762 PolarHBondContact O-N 3.42Å; T1758-S1762 PolarHBondContact O-OG 3.41Å |
| 1759 | L | 75.5 | Confident | 72.9 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.1 | -47.9 | 178.7 | -164.1 | 94 | 0 | 0 | 0 | 111 | I1703 E1708 I1711 L1712 L1746 C1750 G1756 H1761 S1762 L1763 | I1703-L1759 HydrophobicContact CD1-CD2 3.58Å; E1708-L1759 HydrophobicContact CB-CD1 4.3Å; E1708-L1759 HydrophobicContact CG-CD1 3.86Å; I1711-L1759 HydrophobicContact CB-CD1 4.27Å; I1711-L1759 HydrophobicContact CG2-CD1 3.83Å; L1712-L1759 HydrophobicContact CD2-CD1 4.49Å; L1712-L1759 HydrophobicContact CG-CD1 4.42Å; L1746-L1759 HydrophobicContact CD2-CD2 4.03Å; C1750-L1759 HydrophobicContact CB-CD2 4.49Å; C1750-L1759 WeakPolarHBondContact SG-CD2 3.43Å; G1756-L1759 PolarHBondContact O-N 3.42Å; L1759-H1761 PolarHBondContact O-N 3.43Å; L1759-S1762 PolarHBondContact O-N 3.35Å; L1759-S1762 VanDerWaalsContact O-N 3.12Å; L1759-L1763 HydrophobicContact CD2-CD1 3.71Å; L1759-L1763 HydrophobicContact CG-CD1 3.82Å; L1759-L1763 HydrophobicContact CG-CG 4.34Å; L1759-L1763 VanDerWaalsContact O-CG 3.3Å; L1759-L1763 WeakPolarHBondContact O-CG 3.44Å; L1759-L1763 PolarHBondContact O-N 2.7Å |
| 1760 | S | 75.5 | Confident | 72.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.2 | -45.5 | -177.7 | 68.1 | 0 | 0 | 0 | 0 | 112.2 | G1756 A1757 S1762 L1763 I1764 | G1756-S1760 WeakPolarHBondContact O-CB 3.34Å; G1756-S1760 PolarHBondContact O-N 2.96Å; G1756-S1760 PolarHBondContact O-OG 3.33Å; A1757-S1760 WeakPolarHBondContact CA-OG 3.26Å; A1757-S1760 PolarHBondContact O-OG 3.05Å; S1760-S1762 VanDerWaalsContact C-N 3.28Å; S1760-S1762 PolarHBondContact O-N 3.44Å; S1760-L1763 PolarHBondContact O-N 2.9Å; S1760-I1764 WeakPolarHBondContact O-CD1 3.49Å; S1760-I1764 WeakPolarHBondContact O-CG1 3.25Å; S1760-I1764 PolarHBondContact O-N 2.83Å |
| 1761 | H | 81.6 | Confident | 72.6 | Confident | 15 Ų | 15 | 28 Ų | 28 | 7% | 0.069 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.1 | -43.3 | 173.4 | 179.3 | -77.2 | 0 | 0 | 0 | 111.8 | A1757 L1759 S1765 Y1875 V1880 L1883 | A1757-H1761 VanDerWaalsContact O-CB 3.26Å; A1757-H1761 WeakPolarHBondContact O-CB 3.46Å; A1757-H1761 PolarHBondContact O-N 3.46Å; A1757-H1761 VanDerWaalsContact O-N 3.1Å; L1759-H1761 PolarHBondContact O-N 3.43Å; H1761-S1765 VanDerWaalsContact O-CB 3.24Å; H1761-S1765 WeakPolarHBondContact O-CB 3.08Å; H1761-S1765 PolarHBondContact O-N 3.31Å; H1761-Y1875 HydrophobicContact CB-CD2 3.69Å; H1761-Y1875 HydrophobicContact CB-CE2 4.38Å; H1761-Y1875 HydrophobicContact CB-CG 3.82Å; H1761-Y1875 AromaticContact CD2-CD1 3.62Å; H1761-Y1875 AromaticContact CD2-CG 3.71Å; H1761-Y1875 AromaticContact CE1-CD1 3.72Å; H1761-Y1875 AromaticContact CE1-CE1 3.31Å; H1761-Y1875 WeakPolarHBondContact CE1-CE1 3.35Å; H1761-Y1875 AromaticContact CE1-CE2 3.71Å; H1761-Y1875 AromaticContact CE1-CZ 3.31Å; H1761-Y1875 AromaticContact CG-CD1 3.8Å; H1761-Y1875 AromaticContact CG-CD2 3.51Å; H1761-Y1875 AromaticContact CG-CE2 3.86Å; H1761-Y1875 AromaticContact CG-CG 3.48Å; H1761-Y1875 VanDerWaalsContact CG-CG 3.48Å; H1761-Y1875 AromaticContact ND1-CD1 3.85Å; H1761-Y1875 AromaticContact ND1-CD2 3.43Å; H1761-Y1875 WeakPolarHBondContact ND1-CD2 3.49Å; H1761-Y1875 AromaticContact ND1-CE1 3.7Å; H1761-Y1875 AromaticContact ND1-CE2 3.26Å; H1761-Y1875 VanDerWaalsContact ND1-CE2 3.26Å; H1761-Y1875 WeakPolarHBondContact ND1-CE2 3.34Å; H1761-Y1875 AromaticContact ND1-CG 3.73Å; H1761-Y1875 AromaticContact ND1-CZ 3.4Å; H1761-Y1875 AromaticContact NE2-CD1 3.58Å; H1761-Y1875 AromaticContact NE2-CE1 3.53Å; H1761-V1880 HydrophobicContact CB-CG2 4.2Å; H1761-L1883 VanDerWaalsContact NE2-CD1 3.33Å; H1761-L1883 WeakPolarHBondContact NE2-CD1 3.37Å |
| 1762 | S | 73.5 | Confident | 72.4 | Confident | 17 Ų | 17 | 31 Ų | 31 | 12% | 0.119 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.1 | -41.7 | -177.6 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | L1712 T1758 L1759 S1760 S1765 L1766 | L1712-S1762 WeakPolarHBondContact CD2-OG 3.45Å; T1758-S1762 WeakPolarHBondContact O-CB 3.45Å; T1758-S1762 PolarHBondContact O-N 3.42Å; T1758-S1762 PolarHBondContact O-OG 3.41Å; L1759-S1762 PolarHBondContact O-N 3.35Å; L1759-S1762 VanDerWaalsContact O-N 3.12Å; S1760-S1762 VanDerWaalsContact C-N 3.28Å; S1760-S1762 PolarHBondContact O-N 3.44Å; S1762-S1765 PolarHBondContact O-N 3.35Å; S1762-L1766 PolarHBondContact O-N 3.38Å; S1762-L1766 VanDerWaalsContact O-N 3.13Å |
| 1763 | L | 78 | Confident | 71.7 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.2 | -46.2 | 175.2 | -67.8 | 165.7 | 0 | 0 | 0 | 111.9 | I1715 I1743 L1746 L1747 L1759 S1760 S1765 L1766 L1767 | I1715-L1763 HydrophobicContact CD1-CD2 3.63Å; I1715-L1763 HydrophobicContact CD1-CG 4.33Å; I1743-L1763 HydrophobicContact CD1-CD2 4.37Å; I1743-L1763 HydrophobicContact CG1-CD2 4.09Å; I1743-L1763 HydrophobicContact CG2-CD2 4.14Å; L1746-L1763 HydrophobicContact CD2-CD1 4.09Å; L1747-L1763 HydrophobicContact CD1-CB 4.23Å; L1747-L1763 HydrophobicContact CD1-CD1 4.35Å; L1759-L1763 HydrophobicContact CD2-CD1 3.71Å; L1759-L1763 HydrophobicContact CG-CD1 3.82Å; L1759-L1763 HydrophobicContact CG-CG 4.34Å; L1759-L1763 VanDerWaalsContact O-CG 3.3Å; L1759-L1763 WeakPolarHBondContact O-CG 3.44Å; L1759-L1763 PolarHBondContact O-N 2.7Å; S1760-L1763 PolarHBondContact O-N 2.9Å; L1763-S1765 VanDerWaalsContact C-N 3.29Å; L1763-S1765 PolarHBondContact O-N 3.02Å; L1763-L1766 WeakPolarHBondContact O-CB 3.31Å; L1763-L1766 PolarHBondContact O-N 2.92Å; L1763-L1767 WeakPolarHBondContact O-CG 3.4Å; L1763-L1767 PolarHBondContact O-N 2.79Å |
| 1764 | I | 77.4 | Confident | 70.8 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.1 | -31.1 | 178.5 | -53.5 | 159.5 | 0 | 0 | 0 | 110.1 | L1747 S1760 L1766 L1767 V1768 F1835 V1880 L1883 E1884 F1887 | L1747-I1764 HydrophobicContact CD1-CD1 4.09Å; L1747-I1764 HydrophobicContact CD1-CG1 3.75Å; L1747-I1764 HydrophobicContact CD2-CG1 4.11Å; S1760-I1764 WeakPolarHBondContact O-CD1 3.49Å; S1760-I1764 WeakPolarHBondContact O-CG1 3.25Å; S1760-I1764 PolarHBondContact O-N 2.83Å; I1764-L1766 PolarHBondContact O-N 2.84Å; I1764-L1767 PolarHBondContact O-N 2.86Å; I1764-V1768 HydrophobicContact CG2-CG2 4.48Å; I1764-V1768 WeakPolarHBondContact O-CB 3.23Å; I1764-V1768 WeakPolarHBondContact O-CG2 3.41Å; I1764-V1768 PolarHBondContact O-N 3.47Å; I1764-F1835 HydrophobicContact CD1-CE1 4.29Å; I1764-V1880 HydrophobicContact CD1-CG1 4.16Å; I1764-L1883 HydrophobicContact CB-CD2 3.86Å; I1764-L1883 HydrophobicContact CG2-CD2 3.4Å; I1764-L1883 VanDerWaalsContact CG2-CD2 3.4Å; I1764-E1884 HydrophobicContact CD1-CG 3.82Å; I1764-F1887 HydrophobicContact CG2-CB 4.32Å; I1764-F1887 HydrophobicContact CG2-CG 4.47Å |
| 1765 | S | 78.5 | Confident | 69.9 | Low | 30 Ų | 30 | 21.9 Ų | 21.9 | 21% | 0.21 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.3 | -39.4 | 171.8 | -167 | 0 | 0 | 0 | 0 | 112.7 | H1761 S1762 L1763 V1768 K1769 | H1761-S1765 VanDerWaalsContact O-CB 3.24Å; H1761-S1765 WeakPolarHBondContact O-CB 3.08Å; H1761-S1765 PolarHBondContact O-N 3.31Å; S1762-S1765 PolarHBondContact O-N 3.35Å; L1763-S1765 VanDerWaalsContact C-N 3.29Å; L1763-S1765 PolarHBondContact O-N 3.02Å; S1765-V1768 PolarHBondContact O-N 3.45Å; S1765-K1769 PolarHBondContact O-N 2.8Å |
| 1766 | L | 76.6 | Confident | 68.7 | Low | 7 Ų | 7 | 23.1 Ų | 23.1 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.9 | -44.5 | 172.5 | -174.6 | 65.7 | 0 | 0 | 0 | 111.4 | I1718 I1743 S1762 L1763 I1764 V1768 K1769 L1770 | I1718-L1766 HydrophobicContact CG2-CD1 4.34Å; I1743-L1766 HydrophobicContact CD1-CD2 4.19Å; S1762-L1766 PolarHBondContact O-N 3.38Å; S1762-L1766 VanDerWaalsContact O-N 3.13Å; L1763-L1766 WeakPolarHBondContact O-CB 3.31Å; L1763-L1766 PolarHBondContact O-N 2.92Å; I1764-L1766 PolarHBondContact O-N 2.84Å; L1766-V1768 VanDerWaalsContact C-N 3.33Å; L1766-V1768 PolarHBondContact O-N 2.93Å; L1766-K1769 PolarHBondContact O-N 3.35Å; L1766-L1770 WeakPolarHBondContact O-CG 3.16Å; L1766-L1770 PolarHBondContact O-N 3.09Å |
| 1767 | L | 76 | Confident | 67.1 | Low | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -37 | 174.4 | -66.7 | 172.3 | 0 | 0 | 0 | 112.6 | L1740 F1744 L1763 I1764 L1770 V1771 F1887 | L1740-L1767 HydrophobicContact CD2-CD2 4.03Å; F1744-L1767 HydrophobicContact CD1-CD1 4.38Å; F1744-L1767 HydrophobicContact CE1-CD1 3.7Å; F1744-L1767 HydrophobicContact CE1-CD2 4.02Å; F1744-L1767 HydrophobicContact CZ-CD1 4.3Å; F1744-L1767 HydrophobicContact CZ-CD2 3.75Å; L1763-L1767 WeakPolarHBondContact O-CG 3.4Å; L1763-L1767 PolarHBondContact O-N 2.79Å; I1764-L1767 PolarHBondContact O-N 2.86Å; L1767-L1770 HydrophobicContact CD2-CD1 4.34Å; L1767-L1770 WeakPolarHBondContact O-CB 3.36Å; L1767-L1770 PolarHBondContact O-N 3.32Å; L1767-V1771 WeakPolarHBondContact O-CG2 3.44Å; L1767-V1771 PolarHBondContact O-N 3.44Å; L1767-F1887 HydrophobicContact CB-CD2 4.42Å; L1767-F1887 HydrophobicContact CB-CE2 3.8Å; L1767-F1887 HydrophobicContact CB-CZ 4.29Å |
| 1768 | V | 74.1 | Confident | 65.3 | Low | 23 Ų | 23 | 31.8 Ų | 31.8 | 14% | 0.139 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.1 | -43 | 174.3 | 165.5 | 0 | 0 | 0 | 0 | 111.6 | I1764 S1765 L1766 L1770 V1771 I1772 L1883 F1887 L1890 | I1764-V1768 HydrophobicContact CG2-CG2 4.48Å; I1764-V1768 WeakPolarHBondContact O-CB 3.23Å; I1764-V1768 WeakPolarHBondContact O-CG2 3.41Å; I1764-V1768 PolarHBondContact O-N 3.47Å; S1765-V1768 PolarHBondContact O-N 3.45Å; L1766-V1768 VanDerWaalsContact C-N 3.33Å; L1766-V1768 PolarHBondContact O-N 2.93Å; V1768-L1770 VanDerWaalsContact C-N 3.29Å; V1768-L1770 PolarHBondContact O-N 3.33Å; V1768-V1771 PolarHBondContact O-N 3.35Å; V1768-I1772 HydrophobicContact CG1-CD1 3.59Å; V1768-I1772 HydrophobicContact CG1-CG1 4.32Å; V1768-I1772 WeakPolarHBondContact O-CG1 3.25Å; V1768-I1772 PolarHBondContact O-N 3.33Å; V1768-L1883 HydrophobicContact CG2-CD2 3.7Å; V1768-F1887 HydrophobicContact CG2-CB 3.86Å; V1768-F1887 HydrophobicContact CG2-CD2 3.76Å; V1768-F1887 HydrophobicContact CG2-CG 4.27Å; V1768-L1890 HydrophobicContact CG1-CD1 4.03Å |
| 1769 | K | 70.2 | Confident | 63.3 | Low | 21 Ų | 21 | 37.6 Ų | 37.6 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.1 | -40.8 | 172.5 | -85.6 | -160 | 178 | -166.8 | 0 | 111.7 | T1719 D1723 S1765 L1766 | T1719-K1769 HydrophobicContact CG2-CD 4.13Å; T1719-K1769 VanDerWaalsContact CG2-NZ 3.33Å; T1719-K1769 PolarHBondContact O-NZ 3.2Å; D1723-K1769 IonicContact OD1-NZ 2.7Å; D1723-K1769 PolarHBondContact OD1-NZ 3.37Å; D1723-K1769 IonicContact OD2-NZ 3.21Å; D1723-K1769 PolarHBondContact OD2-NZ 3.45Å; S1765-K1769 PolarHBondContact O-N 2.8Å; L1766-K1769 PolarHBondContact O-N 3.35Å |
| 1770 | L | 70.4 | Confident | 61.2 | Low | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 176 | -72.6 | 167.3 | 0 | 0 | 0 | 112.6 | W1722 F1731 L1740 L1766 L1767 V1768 I1824 | W1722-L1770 HydrophobicContact CH2-CD2 3.52Å; W1722-L1770 HydrophobicContact CZ2-CD2 3.59Å; W1722-L1770 HydrophobicContact CZ3-CD2 4.49Å; F1731-L1770 HydrophobicContact CD2-CD2 4.01Å; L1740-L1770 HydrophobicContact CD2-CD1 4.06Å; L1766-L1770 WeakPolarHBondContact O-CG 3.16Å; L1766-L1770 PolarHBondContact O-N 3.09Å; L1767-L1770 HydrophobicContact CD2-CD1 4.34Å; L1767-L1770 WeakPolarHBondContact O-CB 3.36Å; L1767-L1770 PolarHBondContact O-N 3.32Å; V1768-L1770 VanDerWaalsContact C-N 3.29Å; V1768-L1770 PolarHBondContact O-N 3.33Å; L1770-I1824 HydrophobicContact CB-CD1 4.32Å |
| 1771 | V | 68.6 | Low | 59 | Low | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73.3 | -32.1 | -178.5 | 169.2 | 0 | 0 | 0 | 0 | 113.4 | L1767 V1768 T1821 I1824 F1887 L1890 L1891 N1894 | L1767-V1771 WeakPolarHBondContact O-CG2 3.44Å; L1767-V1771 PolarHBondContact O-N 3.44Å; V1768-V1771 PolarHBondContact O-N 3.35Å; V1771-T1821 HydrophobicContact CB-CG2 4.43Å; V1771-T1821 HydrophobicContact CG1-CG2 3.9Å; V1771-T1821 HydrophobicContact CG2-CG2 4.15Å; V1771-I1824 HydrophobicContact CG2-CD1 3.58Å; V1771-F1887 HydrophobicContact CG2-CD2 4.33Å; V1771-F1887 HydrophobicContact CG2-CE2 3.68Å; V1771-L1890 HydrophobicContact CG1-CB 4Å; V1771-L1891 HydrophobicContact CG1-CD2 4.27Å; V1771-L1891 HydrophobicContact CG2-CD2 3.97Å; V1771-N1894 VanDerWaalsContact CG1-ND2 3.32Å; V1771-N1894 WeakPolarHBondContact CG1-ND2 3.48Å; V1771-N1894 PolarHBondContact O-ND2 2.93Å |
| 1772 | I | 65.4 | Low | 56.4 | Low | 73 Ų | 73 | 57.2 Ų | 57.2 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.4 | -39.4 | -177.8 | -72.8 | 168.5 | 0 | 0 | 0 | 112.3 | V1768 S1774 S1775 L1890 | V1768-I1772 HydrophobicContact CG1-CD1 3.59Å; V1768-I1772 HydrophobicContact CG1-CG1 4.32Å; V1768-I1772 WeakPolarHBondContact O-CG1 3.25Å; V1768-I1772 PolarHBondContact O-N 3.33Å; I1772-S1774 PolarHBondContact O-N 2.92Å; I1772-S1775 PolarHBondContact O-N 3.34Å; I1772-S1775 PolarHBondContact O-OG 3.27Å; I1772-L1890 HydrophobicContact CD1-CD1 4.35Å; I1772-L1890 HydrophobicContact CG1-CD1 4.16Å; I1772-L1890 HydrophobicContact CG1-CD2 4.42Å |
| 1773 | N | 55 | Low | 54.4 | Low | 59 Ų | 59 | 63.4 Ų | 63.4 | 32% | 0.316 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -78.9 | -11.8 | -168.8 | -87.7 | 4.9 | 0 | 0 | 0 | 115.5 | S1775 | N1773-S1775 PolarHBondContact O-N 2.88Å; N1773-S1775 VanDerWaalsContact O-N 3.12Å |
| 1774 | S | 51.6 | Low | 51.9 | Low | 24 Ų | 24 | 68.4 Ų | 68.4 | 17% | 0.168 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.8 | 173.4 | 74.7 | 0 | 0 | 0 | 0 | 113.2 | I1772 N1818 | I1772-S1774 PolarHBondContact O-N 2.92Å; S1774-N1818 WeakPolarHBondContact CB-OD1 3.48Å; S1774-N1818 PolarHBondContact OG-OD1 2.98Å |
| 1775 | S | 46 | Very low | 49.8 | Very low | 43 Ų | 43 | 76.3 Ų | 76.3 | 30% | 0.301 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -10.2 | -171.6 | 74.5 | 0 | 0 | 0 | 0 | 115.8 | I1772 N1773 P1777 R2001 | I1772-S1775 PolarHBondContact O-N 3.34Å; I1772-S1775 PolarHBondContact O-OG 3.27Å; N1773-S1775 PolarHBondContact O-N 2.88Å; N1773-S1775 VanDerWaalsContact O-N 3.12Å; S1775-P1777 WeakPolarHBondContact O-CD 3.46Å; S1775-R2001 PolarHBondContact O-NH1 3Å |
| 1776 | Q | 40.5 | Very low | 47.4 | Very low | 132 Ų | 132 | 80.4 Ų | 80.4 | 62% | 0.617 | 46% | 0.464 | S | S | * | . | trans | -92.3 | 122.8 | -172.2 | -58.8 | -152.1 | 21 | 0 | 0 | 113.7 | ||||
| 1777 | P | 34.2 | Very low | 45.1 | Very low | 72 Ų | 72 | 86.9 Ų | 86.9 | 47% | 0.468 | 50% | 0.498 | S | S | . | . | trans | -84.2 | 125.4 | 166.7 | 32.7 | -29.7 | 0 | 0 | 0 | 110.8 | S1775 T1779 | S1775-P1777 WeakPolarHBondContact O-CD 3.46Å; P1777-T1779 PolarHBondContact O-N 3.19Å | ||
| 1778 | T | 32.7 | Very low | 42.8 | Very low | 128 Ų | 128 | 92.4 Ų | 92.4 | 79% | 0.785 | 53% | 0.532 | S | S | * | . | trans | -66.2 | 114.1 | 174.6 | 36.3 | 0 | 0 | 0 | 0 | 111.4 | L1780 | T1778-L1780 VanDerWaalsContact C-N 3.31Å; T1778-L1780 PolarHBondContact O-N 3.17Å | ||
| 1779 | T | 29.1 | Very low | 40.6 | Very low | 133 Ų | 133 | 97.5 Ų | 97.5 | 82% | 0.816 | 56% | 0.558 | S | S | * | * | trans | -90.6 | 67.2 | 171.1 | 41.1 | 0 | 0 | 0 | 0 | 110.4 | P1777 T1781 | P1777-T1779 PolarHBondContact O-N 3.19Å; T1779-T1781 PolarHBondContact O-N 3.15Å | ||
| 1780 | L | 29.7 | Very low | 38.6 | Very low | 146 Ų | 146 | 102.2 Ų | 102.2 | 76% | 0.764 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 121.1 | 166.6 | -88.3 | 151.7 | 0 | 0 | 0 | 109.4 | T1778 | T1778-L1780 VanDerWaalsContact C-N 3.31Å; T1778-L1780 PolarHBondContact O-N 3.17Å |
| 1781 | T | 31.1 | Very low | 36.7 | Very low | 133 Ų | 133 | 108.9 Ų | 108.9 | 82% | 0.816 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 124.5 | 165.7 | 40.5 | 0 | 0 | 0 | 0 | 108.7 | T1779 | T1779-T1781 PolarHBondContact O-N 3.15Š|
| 1782 | N | 26.8 | Very low | 34.8 | Very low | 152 Ų | 152 | 114.5 Ų | 114.5 | 81% | 0.813 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 130.4 | -175 | -67.2 | -25.6 | 0 | 0 | 0 | 111.9 | ||
| 1783 | T | 30.4 | Very low | 33 | Very low | 147 Ų | 147 | 116.4 Ų | 116.4 | 90% | 0.902 | 67% | 0.673 | S | S | * | * | -141.1 | 137.6 | 122.9 | 40.4 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1784 | S | 25.8 | Very low | 31.7 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | -122.1 | 158.7 | 178.8 | 53.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1785 | I | 34.1 | Very low | 30.5 | Very low | 166 Ų | 166 | 129.4 Ų | 129.4 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | trans | -160.7 | 107.5 | 136.6 | -96.4 | 145.5 | 0 | 0 | 0 | 109.5 | ||||
| 1786 | V | 27.3 | Very low | 29.5 | Very low | 116 Ų | 116 | 133 Ų | 133 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | trans | 2.7 | 128 | 146.4 | -176.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1787 | N | 29.2 | Very low | 29 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | -156.8 | 128 | 118.1 | -108.5 | -16.9 | 0 | 0 | 0 | 115.7 | |||||
| 1788 | T | 26.4 | Very low | 28.7 | Very low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | trans | 46.1 | 115.4 | 151 | 54.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1789 | L | 29.3 | Very low | 28.5 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 68% | 0.681 | 76% | 0.76 | S | S | * | * | trans | -64.5 | 169.2 | 153.1 | -153.3 | 84.7 | 0 | 0 | 0 | 111.6 | ||||
| 1790 | P | 28.1 | Very low | 28.5 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | -128.4 | 148.8 | 123.9 | 36.8 | -31.5 | 0 | 0 | 0 | 114.5 | |||||
| 1791 | H | 28.9 | Very low | 28.4 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 68% | 0.676 | 75% | 0.75 | S | S | * | * | trans | -78.2 | 164.4 | 162.6 | -73.5 | -67.8 | 0 | 0 | 0 | 110.6 | T1793 | H1791-T1793 HydrophobicContact CB-CG2 4.08Š| ||
| 1792 | P | 29.6 | Very low | 28.3 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | -112.8 | 141.4 | 84.6 | -8.1 | 28.1 | 0 | 0 | 0 | 111.5 | |||||
| 1793 | T | 26.9 | Very low | 28.3 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | 67.6 | 87.3 | 51.6 | 67.7 | 0 | 0 | 0 | 0 | 115.2 | H1791 | H1791-T1793 HydrophobicContact CB-CG2 4.08Š| |||
| 1794 | R | 28 | Very low | 28.1 | Very low | 241 Ų | 241 | 131.9 Ų | 131.9 | 91% | 0.909 | 73% | 0.725 | S | S | * | * | trans | -56.8 | 136.6 | 159.4 | 166.9 | -159.4 | -166.7 | 174.6 | 5.9 | 113.2 | ||||
| 1795 | T | 26.3 | Very low | 28.2 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | trans | -171.2 | 141.3 | 156.7 | 40.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1796 | D | 25.6 | Very low | 27.8 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 64% | 0.642 | 72% | 0.719 | S | S | * | * | cis | -157.7 | 144.1 | -3.7 | -91.6 | -24.5 | 0 | 0 | 0 | 108.3 | ||||
| 1797 | L | 30.5 | Very low | 27.7 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | 63.9 | 144.2 | 102.6 | -52.9 | 174.1 | 0 | 0 | 0 | 115 | |||||
| 1798 | D | 26.6 | Very low | 27.6 | Very low | 131 Ų | 131 | 134 Ų | 134 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | cis | -146.1 | -176.6 | 0.3 | -111.4 | -38.2 | 0 | 0 | 0 | 107.5 | ||||
| 1799 | E | 29.7 | Very low | 27.5 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | cis | -133.5 | 141.4 | 22.1 | -72.8 | -179.2 | 140.1 | 0 | 0 | 109.9 | ||||
| 1800 | S | 28.1 | Very low | 27.5 | Very low | 92 Ų | 92 | 138.3 Ų | 138.3 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | 65.6 | 130.9 | 85.9 | 113.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 1801 | T | 28.1 | Very low | 27.5 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | cis | -140.7 | -170 | 9.4 | 51.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1802 | D | 28.8 | Very low | 27.6 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | cis | -157.7 | 162.9 | 9.1 | -147.5 | -5.6 | 0 | 0 | 0 | 115.3 | ||||
| 1803 | Q | 27.7 | Very low | 27.6 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 70% | 0.696 | 76% | 0.763 | S | S | * | * | trans | 32.5 | 134.5 | 146.5 | -89.9 | 163.3 | 82.7 | 0 | 0 | 126.8 | ||||
| 1804 | C | 26.3 | Very low | 27.9 | Very low | 100 Ų | 100 | 146.8 Ų | 146.8 | 68% | 0.676 | 77% | 0.767 | S | S | * | * | trans | 84.1 | 142.7 | 139.6 | -69.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1805 | I | 26.1 | Very low | 28.4 | Very low | 136 Ų | 136 | 144.5 Ų | 144.5 | 70% | 0.697 | 76% | 0.764 | S | S | * | * | cis | -173.6 | 149.9 | -34.7 | -115.3 | 166.9 | 0 | 0 | 0 | 105.6 | ||||
| 1806 | N | 26.1 | Very low | 29.3 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | 17.9 | 138.3 | 161.7 | -52.4 | -16.5 | 0 | 0 | 0 | 119.7 | ||||
| 1807 | E | 25.2 | Very low | 30.4 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | -160.2 | 166.8 | 66.6 | -80.8 | -177.3 | 163.6 | 0 | 0 | 114.3 | |||||
| 1808 | S | 27 | Very low | 31.8 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | 82.1 | 40.8 | 155.8 | 76.1 | 0 | 0 | 0 | 0 | 121.1 | N1810 | S1808-N1810 PolarHBondContact O-N 2.99Š| ||
| 1809 | E | 24.9 | Very low | 33.5 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 87% | 0.869 | 73% | 0.729 | S | S | * | * | trans | -67.3 | 110.5 | 148.4 | -75 | -161.1 | 137.2 | 0 | 0 | 110.2 | ||||
| 1810 | N | 28.8 | Very low | 35.2 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 81% | 0.813 | 70% | 0.699 | S | S | * | * | trans | 163.4 | 84 | 144 | -93.2 | -64.5 | 0 | 0 | 0 | 111.6 | S1808 | S1808-N1810 PolarHBondContact O-N 2.99Š| ||
| 1811 | N | 28.1 | Very low | 37.2 | Very low | 168 Ų | 168 | 128.2 Ų | 128.2 | 90% | 0.898 | 67% | 0.668 | S | S | * | * | trans | 168.7 | 75.3 | 150.5 | -92.5 | -39.9 | 0 | 0 | 0 | 112.6 | ||||
| 1812 | L | 31.2 | Very low | 39.2 | Very low | 168 Ų | 168 | 126.7 Ų | 126.7 | 88% | 0.88 | 65% | 0.652 | S | S | * | * | trans | -156.8 | 36.2 | 169.8 | -120.3 | 169.5 | 0 | 0 | 0 | 116.3 | H1814 | L1812-H1814 VanDerWaalsContact C-N 3.29Å; L1812-H1814 PolarHBondContact O-N 2.88Å | ||
| 1813 | L | 29.5 | Very low | 41.3 | Very low | 172 Ų | 172 | 123.6 Ų | 123.6 | 90% | 0.901 | 64% | 0.635 | S | S | * | * | trans | -84.6 | 56.2 | -173.7 | -145.5 | 144.8 | 0 | 0 | 0 | 113.5 | ||||
| 1814 | H | 34.1 | Very low | 43.5 | Very low | 168 Ų | 168 | 116.5 Ų | 116.5 | 78% | 0.778 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -137.9 | 83.2 | -177.5 | -96.5 | -78.4 | 0 | 0 | 0 | 115.4 | L1812 | L1812-H1814 VanDerWaalsContact C-N 3.29Å; L1812-H1814 PolarHBondContact O-N 2.88Å |
| 1815 | K | 36.9 | Very low | 45.8 | Very low | 193 Ų | 193 | 111.7 Ų | 111.7 | 84% | 0.839 | 57% | 0.57 | S | S | * | * | trans | 35 | 82 | 149 | -63.3 | 178.5 | 179.2 | 172.1 | 0 | 118.7 | K1817 | K1815-K1817 PolarHBondContact O-N 3.32Š| ||
| 1816 | P | 45.5 | Very low | 48.2 | Very low | 100 Ų | 100 | 108.5 Ų | 108.5 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | trans | -80.1 | 98.1 | 164 | 32.5 | -32.1 | 0 | 0 | 0 | 110.7 | I1819 | P1816-I1819 HydrophobicContact CB-CD1 4.44Å; P1816-I1819 HydrophobicContact CB-CG1 4.06Å; P1816-I1819 HydrophobicContact CG-CD1 4.25Å; P1816-I1819 HydrophobicContact CG-CG1 4.42Å | ||
| 1817 | K | 48.6 | Very low | 50.5 | Low | 155 Ų | 155 | 104.5 Ų | 104.5 | 67% | 0.674 | 53% | 0.534 | S | S | * | . | trans | -86.3 | -1 | -176.5 | -116.4 | -165.8 | 177.1 | -159.6 | 0 | 115.9 | K1815 | K1815-K1817 PolarHBondContact O-N 3.32Š| ||
| 1818 | N | 59.8 | Low | 53 | Low | 29 Ų | 29 | 97.8 Ų | 97.8 | 16% | 0.155 | 50% | 0.503 | C | S | . | . | trans | -143.1 | 38.6 | -166.9 | -95.4 | -20.4 | 0 | 0 | 0 | 113.3 | S1774 I1820 T1821 H1822 N1894 | S1774-N1818 WeakPolarHBondContact CB-OD1 3.48Å; S1774-N1818 PolarHBondContact OG-OD1 2.98Å; N1818-I1820 VanDerWaalsContact C-N 3.3Å; N1818-I1820 PolarHBondContact O-N 3.06Å; N1818-T1821 VanDerWaalsContact CB-OG1 3.26Å; N1818-T1821 WeakPolarHBondContact CB-OG1 3.49Å; N1818-T1821 VanDerWaalsContact CG-OG1 3.31Å; N1818-T1821 PolarHBondContact O-N 3.39Å; N1818-T1821 VanDerWaalsContact O-N 3.13Å; N1818-T1821 PolarHBondContact O-OG1 3.02Å; N1818-T1821 VanDerWaalsContact O-OG1 3.1Å; N1818-T1821 PolarHBondContact OD1-OG1 3.4Å; N1818-H1822 PolarHBondContact O-CD2 3.27Å; N1818-H1822 PolarHBondContact O-N 3.32Å; N1818-N1894 PolarHBondContact ND2-O 3.11Å | ||
| 1819 | I | 63.6 | Low | 55.4 | Low | 106 Ų | 106 | 98 Ų | 98 | 54% | 0.544 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -53.4 | -45.8 | -177.2 | -60.2 | 175.3 | 0 | 0 | 0 | 111.8 | P1816 T1821 H1822 L1823 | P1816-I1819 HydrophobicContact CB-CD1 4.44Å; P1816-I1819 HydrophobicContact CB-CG1 4.06Å; P1816-I1819 HydrophobicContact CG-CD1 4.25Å; P1816-I1819 HydrophobicContact CG-CG1 4.42Å; I1819-T1821 VanDerWaalsContact C-N 3.35Å; I1819-T1821 PolarHBondContact O-N 3.19Å; I1819-H1822 PolarHBondContact O-N 2.9Å; I1819-L1823 WeakPolarHBondContact O-CB 3.49Å; I1819-L1823 PolarHBondContact O-N 3.47Å |
| 1820 | I | 65.6 | Low | 57.9 | Low | 33 Ų | 33 | 93.4 Ų | 93.4 | 17% | 0.169 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -55.8 | -47.4 | 178.5 | -60.4 | 172.1 | 0 | 0 | 0 | 111.3 | F1731 N1818 L1823 I1824 | F1731-I1820 HydrophobicContact CD1-CD1 4.4Å; F1731-I1820 HydrophobicContact CD1-CG1 4.03Å; F1731-I1820 HydrophobicContact CD2-CD1 4.42Å; F1731-I1820 HydrophobicContact CD2-CG1 4.22Å; F1731-I1820 HydrophobicContact CD2-CG2 4.27Å; F1731-I1820 HydrophobicContact CE1-CG1 3.87Å; F1731-I1820 HydrophobicContact CE2-CB 4.38Å; F1731-I1820 HydrophobicContact CE2-CG1 4.07Å; F1731-I1820 HydrophobicContact CE2-CG2 3.84Å; F1731-I1820 HydrophobicContact CG-CD1 4.24Å; F1731-I1820 HydrophobicContact CG-CG1 4.19Å; F1731-I1820 HydrophobicContact CZ-CB 4.32Å; F1731-I1820 HydrophobicContact CZ-CG1 3.89Å; F1731-I1820 HydrophobicContact CZ-CG2 4.25Å; N1818-I1820 VanDerWaalsContact C-N 3.3Å; N1818-I1820 PolarHBondContact O-N 3.06Å; I1820-L1823 PolarHBondContact O-N 3.46Å; I1820-I1824 HydrophobicContact CG2-CD1 4.18Å; I1820-I1824 WeakPolarHBondContact O-CG1 3.37Å; I1820-I1824 PolarHBondContact O-N 3.34Å |
| 1821 | T | 69.3 | Low | 60.3 | Low | 0 Ų | 0 | 86.2 Ų | 86.2 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -71 | -31.8 | -178.9 | 12.3 | 0 | 0 | 0 | 0 | 112.9 | V1771 N1818 I1819 L1825 L1891 N1894 V1895 | V1771-T1821 HydrophobicContact CB-CG2 4.43Å; V1771-T1821 HydrophobicContact CG1-CG2 3.9Å; V1771-T1821 HydrophobicContact CG2-CG2 4.15Å; N1818-T1821 VanDerWaalsContact CB-OG1 3.26Å; N1818-T1821 WeakPolarHBondContact CB-OG1 3.49Å; N1818-T1821 VanDerWaalsContact CG-OG1 3.31Å; N1818-T1821 PolarHBondContact O-N 3.39Å; N1818-T1821 VanDerWaalsContact O-N 3.13Å; N1818-T1821 PolarHBondContact O-OG1 3.02Å; N1818-T1821 VanDerWaalsContact O-OG1 3.1Å; N1818-T1821 PolarHBondContact OD1-OG1 3.4Å; I1819-T1821 VanDerWaalsContact C-N 3.35Å; I1819-T1821 PolarHBondContact O-N 3.19Å; T1821-L1825 WeakPolarHBondContact O-CG 3.45Å; T1821-L1825 PolarHBondContact O-N 3.05Å; T1821-L1825 VanDerWaalsContact O-N 3.1Å; T1821-L1891 HydrophobicContact CG2-CD2 4.1Å; T1821-N1894 HydrophobicContact CG2-CB 4.17Å; T1821-V1895 HydrophobicContact CG2-CG2 4.48Å |
| 1822 | H | 70 | Confident | 62.5 | Low | 86 Ų | 86 | 79.3 Ų | 79.3 | 40% | 0.398 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -71.2 | -35.8 | 171 | -72.4 | -71.6 | 0 | 0 | 0 | 112.5 | N1818 I1819 L1825 S1826 H1900 | N1818-H1822 PolarHBondContact O-CD2 3.27Å; N1818-H1822 PolarHBondContact O-N 3.32Å; I1819-H1822 PolarHBondContact O-N 2.9Å; H1822-L1825 CarbonylContact O-C 3.46Å; H1822-L1825 WeakPolarHBondContact O-CB 3.3Å; H1822-L1825 PolarHBondContact O-N 3.4Å; H1822-S1826 PolarHBondContact O-N 2.79Å; H1822-H1900 AromaticContact CE1-CD2 3.74Å; H1822-H1900 AromaticContact CE1-NE2 3.46Å; H1822-H1900 PolarHBondContact CE1-NE2 2.59Å; H1822-H1900 AromaticContact ND1-CE1 3.98Å; H1822-H1900 AromaticContact ND1-NE2 3.29Å; H1822-H1900 PolarHBondContact ND1-NE2 3.19Å |
| 1823 | L | 72.6 | Confident | 64.7 | Low | 54 Ų | 54 | 76.9 Ų | 76.9 | 28% | 0.283 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.6 | -37 | 176.7 | -170.1 | 149 | 0 | 0 | 0 | 111.9 | F1731 T1735 L1740 I1819 I1820 L1825 S1826 Y1827 | F1731-L1823 HydrophobicContact CZ-CD1 4.47Å; F1731-L1823 HydrophobicContact CZ-CD2 4.49Å; T1735-L1823 HydrophobicContact CG2-CD1 4.43Å; T1735-L1823 HydrophobicContact CG2-CD2 4.45Å; L1740-L1823 HydrophobicContact CD1-CD2 4.41Å; I1819-L1823 WeakPolarHBondContact O-CB 3.49Å; I1819-L1823 PolarHBondContact O-N 3.47Å; I1820-L1823 PolarHBondContact O-N 3.46Å; L1823-L1825 VanDerWaalsContact C-N 3.31Å; L1823-S1826 WeakPolarHBondContact CA-OG 3.46Å; L1823-S1826 PolarHBondContact O-N 3.04Å; L1823-S1826 PolarHBondContact O-OG 3.41Å; L1823-Y1827 HydrophobicContact CD2-CE2 4.1Å; L1823-Y1827 VanDerWaalsContact O-CD2 3.31Å; L1823-Y1827 WeakPolarHBondContact O-CD2 3.45Å |
| 1824 | I | 73.6 | Confident | 66.8 | Low | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 168.9 | -71.1 | 170.8 | 0 | 0 | 0 | 110.6 | F1744 L1770 V1771 I1820 S1826 Y1827 I1831 F1887 L1891 | F1744-I1824 HydrophobicContact CZ-CG2 4.29Å; L1770-I1824 HydrophobicContact CB-CD1 4.32Å; V1771-I1824 HydrophobicContact CG2-CD1 3.58Å; I1820-I1824 HydrophobicContact CG2-CD1 4.18Å; I1820-I1824 WeakPolarHBondContact O-CG1 3.37Å; I1820-I1824 PolarHBondContact O-N 3.34Å; I1824-S1826 VanDerWaalsContact C-N 3.33Å; I1824-S1826 PolarHBondContact O-N 3.03Å; I1824-Y1827 PolarHBondContact O-N 3.49Å; I1824-I1831 HydrophobicContact CG2-CD1 4.06Å; I1824-I1831 WeakPolarHBondContact O-CD1 3.24Å; I1824-F1887 HydrophobicContact CG2-CZ 3.93Å; I1824-L1891 HydrophobicContact CG2-CD2 4.2Å |
| 1825 | L | 74.2 | Confident | 68.9 | Low | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.1 | -18.1 | 175.6 | -81.3 | 174.5 | 0 | 0 | 0 | 115.1 | T1821 H1822 L1823 Y1827 H1828 V1895 L1902 A1903 L1906 | T1821-L1825 WeakPolarHBondContact O-CG 3.45Å; T1821-L1825 PolarHBondContact O-N 3.05Å; T1821-L1825 VanDerWaalsContact O-N 3.1Å; H1822-L1825 CarbonylContact O-C 3.46Å; H1822-L1825 WeakPolarHBondContact O-CB 3.3Å; H1822-L1825 PolarHBondContact O-N 3.4Å; L1823-L1825 VanDerWaalsContact C-N 3.31Å; L1825-Y1827 PolarHBondContact O-N 2.86Å; L1825-H1828 VanDerWaalsContact O-CB 3.28Å; L1825-H1828 WeakPolarHBondContact O-CB 3.11Å; L1825-H1828 PolarHBondContact O-N 2.94Å; L1825-V1895 HydrophobicContact CD1-CB 4.31Å; L1825-V1895 HydrophobicContact CD1-CG1 3.85Å; L1825-V1895 HydrophobicContact CD1-CG2 3.81Å; L1825-L1902 HydrophobicContact CB-CB 4.47Å; L1825-A1903 HydrophobicContact CD1-CB 4.29Å; L1825-A1903 HydrophobicContact CD2-CB 4.3Å; L1825-L1906 HydrophobicContact CD2-CD1 4.23Å |
| 1826 | S | 77.8 | Confident | 70.8 | Confident | 69 Ų | 69 | 54.7 Ų | 54.7 | 48% | 0.483 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.9 | -36.9 | 169.3 | 10.1 | 0 | 0 | 0 | 0 | 111.5 | H1822 L1823 I1824 H1828 | H1822-S1826 PolarHBondContact O-N 2.79Å; L1823-S1826 WeakPolarHBondContact CA-OG 3.46Å; L1823-S1826 PolarHBondContact O-N 3.04Å; L1823-S1826 PolarHBondContact O-OG 3.41Å; I1824-S1826 VanDerWaalsContact C-N 3.33Å; I1824-S1826 PolarHBondContact O-N 3.03Å; S1826-H1828 PolarHBondContact O-N 3.5Å; S1826-H1828 VanDerWaalsContact O-N 3.08Å; S1826-H1828 PolarHBondContact O-ND1 2.88Å |
| 1827 | Y | 74.6 | Confident | 72.4 | Confident | 58 Ų | 58 | 50.8 Ų | 50.8 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 17.3 | 177.4 | -62 | -79.1 | 0 | 0 | 0 | 114.2 | N1741 F1744 L1823 I1824 L1825 E1829 Y1830 I1831 | N1741-Y1827 HydrophobicContact CB-CE1 4.25Å; N1741-Y1827 WeakPolarHBondContact OD1-CE1 3.49Å; F1744-Y1827 AromaticContact CD2-CD1 4Å; F1744-Y1827 HydrophobicContact CD2-CD1 4Å; F1744-Y1827 AromaticContact CD2-CD2 3.86Å; F1744-Y1827 HydrophobicContact CD2-CD2 3.86Å; F1744-Y1827 HydrophobicContact CD2-CE2 4.48Å; F1744-Y1827 AromaticContact CD2-CG 3.59Å; F1744-Y1827 HydrophobicContact CD2-CG 3.59Å; F1744-Y1827 AromaticContact CE2-CD2 3.61Å; F1744-Y1827 HydrophobicContact CE2-CD2 3.61Å; F1744-Y1827 HydrophobicContact CE2-CE2 4.33Å; F1744-Y1827 AromaticContact CE2-CG 3.76Å; F1744-Y1827 HydrophobicContact CE2-CG 3.76Å; F1744-Y1827 HydrophobicContact CG-CG 4.44Å; L1823-Y1827 HydrophobicContact CD2-CE2 4.1Å; L1823-Y1827 VanDerWaalsContact O-CD2 3.31Å; L1823-Y1827 WeakPolarHBondContact O-CD2 3.45Å; I1824-Y1827 PolarHBondContact O-N 3.49Å; L1825-Y1827 PolarHBondContact O-N 2.86Å; Y1827-E1829 PolarHBondContact O-N 3.31Å; Y1827-E1829 VanDerWaalsContact O-N 3.1Å; Y1827-Y1830 HydrophobicContact CD1-CD2 4.09Å; Y1827-Y1830 HydrophobicContact CD1-CE2 4.49Å; Y1827-Y1830 PolarHBondContact O-N 3.44Å; Y1827-Y1830 VanDerWaalsContact O-N 3.11Å; Y1827-I1831 WeakPolarHBondContact O-CG1 3.3Å; Y1827-I1831 PolarHBondContact O-N 3.23Å |
| 1828 | H | 77.6 | Confident | 73.6 | Confident | 39 Ų | 39 | 44.7 Ų | 44.7 | 18% | 0.181 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.1 | -32.1 | -175.5 | 70.7 | -53.5 | 0 | 0 | 0 | 115 | L1825 S1826 I1831 S1832 L1906 | L1825-H1828 VanDerWaalsContact O-CB 3.28Å; L1825-H1828 WeakPolarHBondContact O-CB 3.11Å; L1825-H1828 PolarHBondContact O-N 2.94Å; S1826-H1828 PolarHBondContact O-N 3.5Å; S1826-H1828 VanDerWaalsContact O-N 3.08Å; S1826-H1828 PolarHBondContact O-ND1 2.88Å; H1828-I1831 PolarHBondContact O-N 3.01Å; H1828-S1832 WeakPolarHBondContact O-CB 3.48Å; H1828-S1832 PolarHBondContact O-N 3.1Å; H1828-S1832 PolarHBondContact O-OG 3.29Å; H1828-L1906 HydrophobicContact CB-CB 4.47Å; H1828-L1906 HydrophobicContact CB-CD1 3.9Å |
| 1829 | E | 77.3 | Confident | 74.5 | Confident | 121 Ų | 121 | 50.7 Ų | 50.7 | 57% | 0.565 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.2 | -53.4 | 175.3 | -63.8 | -174.2 | 163.8 | 0 | 0 | 111.3 | Y1827 I1831 S1832 Q1833 | Y1827-E1829 PolarHBondContact O-N 3.31Å; Y1827-E1829 VanDerWaalsContact O-N 3.1Å; E1829-I1831 VanDerWaalsContact C-N 3.3Å; E1829-I1831 PolarHBondContact O-N 2.92Å; E1829-S1832 PolarHBondContact O-N 2.91Å; E1829-S1832 VanDerWaalsContact O-N 3.12Å; E1829-S1832 PolarHBondContact O-OG 3.23Å; E1829-Q1833 WeakPolarHBondContact O-CG 3.5Å; E1829-Q1833 PolarHBondContact O-N 3.35Å |
| 1830 | Y | 77.1 | Confident | 75.1 | Confident | 90 Ų | 90 | 48.3 Ų | 48.3 | 35% | 0.353 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.2 | -38 | 175.7 | -65 | -78.4 | 0 | 0 | 0 | 112.4 | I1745 T1748 Y1827 Q1833 A1834 | I1745-Y1830 HydrophobicContact CG1-CD1 4.42Å; I1745-Y1830 HydrophobicContact CG1-CE1 4.13Å; T1748-Y1830 WeakPolarHBondContact CG2-O 3.24Å; Y1827-Y1830 HydrophobicContact CD1-CD2 4.09Å; Y1827-Y1830 HydrophobicContact CD1-CE2 4.49Å; Y1827-Y1830 PolarHBondContact O-N 3.44Å; Y1827-Y1830 VanDerWaalsContact O-N 3.11Å; Y1830-Q1833 PolarHBondContact O-N 3.2Å; Y1830-A1834 WeakPolarHBondContact O-CB 3.44Å; Y1830-A1834 PolarHBondContact O-N 3.34Å |
| 1831 | I | 78.9 | Confident | 75.6 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 175.6 | -61.1 | 168.2 | 0 | 0 | 0 | 110.7 | F1744 I1824 Y1827 H1828 E1829 A1834 F1835 F1887 L1906 | F1744-I1831 HydrophobicContact CD1-CD1 4.49Å; F1744-I1831 HydrophobicContact CD1-CG1 3.85Å; F1744-I1831 HydrophobicContact CE1-CD1 3.83Å; F1744-I1831 HydrophobicContact CE1-CG1 3.63Å; F1744-I1831 HydrophobicContact CZ-CD1 4.18Å; F1744-I1831 HydrophobicContact CZ-CG1 4.42Å; I1824-I1831 HydrophobicContact CG2-CD1 4.06Å; I1824-I1831 WeakPolarHBondContact O-CD1 3.24Å; Y1827-I1831 WeakPolarHBondContact O-CG1 3.3Å; Y1827-I1831 PolarHBondContact O-N 3.23Å; H1828-I1831 PolarHBondContact O-N 3.01Å; E1829-I1831 VanDerWaalsContact C-N 3.3Å; E1829-I1831 PolarHBondContact O-N 2.92Å; I1831-A1834 PolarHBondContact O-N 2.86Å; I1831-F1835 HydrophobicContact CG2-CD2 3.66Å; I1831-F1835 HydrophobicContact CG2-CE2 3.39Å; I1831-F1835 HydrophobicContact CG2-CG 4.45Å; I1831-F1835 HydrophobicContact CG2-CZ 3.99Å; I1831-F1835 WeakPolarHBondContact O-CG 3.45Å; I1831-F1835 PolarHBondContact O-N 3.24Å; I1831-F1887 HydrophobicContact CG2-CE1 4.38Å; I1831-L1906 HydrophobicContact CB-CD1 4.07Å; I1831-L1906 HydrophobicContact CD1-CD1 4.43Å; I1831-L1906 HydrophobicContact CG2-CD1 3.85Å; I1831-L1906 HydrophobicContact CG2-CG 4.44Å |
| 1832 | S | 75.6 | Confident | 76 | Confident | 24 Ų | 24 | 57 Ų | 57 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.6 | -35.2 | 176.6 | 70.6 | 0 | 0 | 0 | 0 | 113 | H1828 E1829 C1836 | H1828-S1832 WeakPolarHBondContact O-CB 3.48Å; H1828-S1832 PolarHBondContact O-N 3.1Å; H1828-S1832 PolarHBondContact O-OG 3.29Å; E1829-S1832 PolarHBondContact O-N 2.91Å; E1829-S1832 VanDerWaalsContact O-N 3.12Å; E1829-S1832 PolarHBondContact O-OG 3.23Å; S1832-C1836 PolarHBondContact O-N 3.21Å |
| 1833 | Q | 77.4 | Confident | 76.4 | Confident | 116 Ų | 116 | 53 Ų | 53 | 54% | 0.542 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.4 | -41 | 173.4 | -69.8 | 176.2 | 11.5 | 0 | 0 | 111.9 | T1748 E1829 Y1830 C1836 | T1748-Q1833 HydrophobicContact CG2-CB 4.03Å; E1829-Q1833 WeakPolarHBondContact O-CG 3.5Å; E1829-Q1833 PolarHBondContact O-N 3.35Å; Y1830-Q1833 PolarHBondContact O-N 3.2Å; Q1833-C1836 PolarHBondContact O-N 3.19Å |
| 1834 | A | 72.7 | Confident | 76.6 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.1 | -41 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1747 T1748 T1751 Y1830 I1831 C1836 | L1747-A1834 HydrophobicContact CB-CB 4.34Å; L1747-A1834 HydrophobicContact CD2-CB 3.89Å; L1747-A1834 HydrophobicContact CG-CB 4.01Å; T1748-A1834 HydrophobicContact CG2-CB 3.88Å; T1751-A1834 VanDerWaalsContact CB-O 3.25Å; T1751-A1834 WeakPolarHBondContact CB-O 3.44Å; T1751-A1834 WeakPolarHBondContact CG2-O 3.34Å; T1751-A1834 PolarHBondContact OG1-O 3.22Å; Y1830-A1834 WeakPolarHBondContact O-CB 3.44Å; Y1830-A1834 PolarHBondContact O-N 3.34Å; I1831-A1834 PolarHBondContact O-N 2.86Å; A1834-C1836 VanDerWaalsContact C-N 3.27Å; A1834-C1836 PolarHBondContact O-N 3.35Å |
| 1835 | F | 77.4 | Confident | 76.7 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.009 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 18.6 | -179.9 | -58.4 | -19.4 | 0 | 0 | 0 | 114 | L1747 I1764 I1831 E1884 F1887 L1888 F1910 N1914 | L1747-F1835 HydrophobicContact CD2-CE1 4.16Å; I1764-F1835 HydrophobicContact CD1-CE1 4.29Å; I1831-F1835 HydrophobicContact CG2-CD2 3.66Å; I1831-F1835 HydrophobicContact CG2-CE2 3.39Å; I1831-F1835 HydrophobicContact CG2-CG 4.45Å; I1831-F1835 HydrophobicContact CG2-CZ 3.99Å; I1831-F1835 WeakPolarHBondContact O-CG 3.45Å; I1831-F1835 PolarHBondContact O-N 3.24Å; F1835-E1884 HydrophobicContact CD1-CB 4.44Å; F1835-E1884 HydrophobicContact CD1-CG 3.84Å; F1835-E1884 HydrophobicContact CE1-CB 4.28Å; F1835-E1884 HydrophobicContact CE1-CG 3.65Å; F1835-E1884 HydrophobicContact CZ-CB 4.44Å; F1835-E1884 HydrophobicContact CZ-CG 4.24Å; F1835-F1887 AromaticContact CE2-CD1 3.79Å; F1835-F1887 HydrophobicContact CE2-CD1 3.79Å; F1835-F1887 HydrophobicContact CE2-CE1 4.13Å; F1835-F1887 AromaticContact CZ-CD1 3.74Å; F1835-F1887 HydrophobicContact CZ-CD1 3.74Å; F1835-F1887 HydrophobicContact CZ-CE1 4.07Å; F1835-L1888 HydrophobicContact CD2-CD2 4Å; F1835-L1888 HydrophobicContact CD2-CG 4.35Å; F1835-L1888 HydrophobicContact CE2-CD2 3.95Å; F1835-L1888 HydrophobicContact CE2-CG 4.25Å; F1835-F1910 HydrophobicContact CB-CD2 3.72Å; F1835-F1910 HydrophobicContact CB-CE2 3.9Å; F1835-F1910 WeakPolarHBondContact O-CD2 3.29Å; F1835-F1910 WeakPolarHBondContact O-CE2 3.45Å; F1835-N1914 PolarHBondContact O-ND2 2.97Å |
| 1836 | C | 78.2 | Confident | 77 | Confident | 64 Ų | 64 | 61.8 Ų | 61.8 | 43% | 0.432 | 30% | 0.301 | S | S | . | . | trans | -86.7 | 109.6 | 169 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | S1832 Q1833 A1834 | S1832-C1836 PolarHBondContact O-N 3.21Å; Q1833-C1836 PolarHBondContact O-N 3.19Å; A1834-C1836 VanDerWaalsContact C-N 3.27Å; A1834-C1836 PolarHBondContact O-N 3.35Å | ||
| 1837 | W | 77.9 | Confident | 76.7 | Confident | 18 Ų | 18 | 58.6 Ų | 58.6 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 155.8 | -170.5 | -59.2 | -29.9 | 0 | 0 | 0 | 113.1 | L1843 L1881 E1884 M1885 F1910 N1914 Q1917 L1918 L1921 | W1837-L1843 HydrophobicContact CB-CD2 4.42Å; W1837-L1843 HydrophobicContact CE3-CD2 4.28Å; W1837-L1881 HydrophobicContact CD2-CD2 3.95Å; W1837-L1881 HydrophobicContact CG-CD2 4.23Å; W1837-L1881 HydrophobicContact CH2-CD2 4.33Å; W1837-L1881 HydrophobicContact CZ2-CD2 3.5Å; W1837-L1881 VanDerWaalsContact NE1-CD2 3.28Å; W1837-E1884 PolarHBondContact NE1-OE2 3.36Å; W1837-M1885 HydrophobicContact CH2-CE 3.4Å; W1837-M1885 VanDerWaalsContact CH2-CE 3.4Å; W1837-M1885 HydrophobicContact CZ2-CE 3.65Å; W1837-F1910 AromaticContact CH2-CZ 3.99Å; W1837-F1910 HydrophobicContact CH2-CZ 3.99Å; W1837-F1910 HydrophobicContact CZ2-CE2 4.14Å; W1837-F1910 AromaticContact CZ2-CZ 3.66Å; W1837-F1910 HydrophobicContact CZ2-CZ 3.66Å; W1837-N1914 VanDerWaalsContact CB-OD1 3.24Å; W1837-N1914 WeakPolarHBondContact CB-OD1 3.41Å; W1837-N1914 HydrophobicContact CD2-CB 4.27Å; W1837-N1914 HydrophobicContact CE3-CB 3.68Å; W1837-N1914 HydrophobicContact CZ3-CB 4.06Å; W1837-N1914 PolarHBondContact N-OD1 2.74Å; W1837-Q1917 HydrophobicContact CE3-CB 3.66Å; W1837-Q1917 HydrophobicContact CE3-CG 4.37Å; W1837-Q1917 HydrophobicContact CZ3-CB 4.02Å; W1837-L1918 HydrophobicContact CH2-CD2 3.67Å; W1837-L1918 HydrophobicContact CH2-CG 4.5Å; W1837-L1918 HydrophobicContact CZ3-CD2 3.67Å; W1837-L1918 HydrophobicContact CZ3-CG 4.03Å; W1837-L1921 HydrophobicContact CE3-CD1 4.27Å; W1837-L1921 HydrophobicContact CH2-CD1 3.77Å; W1837-L1921 HydrophobicContact CZ3-CD1 3.46Å; W1837-L1921 VanDerWaalsContact CZ3-CD1 3.46Å |
| 1838 | P | 75.2 | Confident | 76.6 | Confident | 28 Ų | 28 | 60.7 Ų | 60.7 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 162.7 | 172.7 | -26.6 | 34.1 | 0 | 0 | 0 | 114.4 | T1842 W1846 Q1917 | P1838-T1842 HydrophobicContact CB-CG2 4.46Å; P1838-W1846 HydrophobicContact CG-CE3 4.31Å; P1838-W1846 HydrophobicContact CG-CH2 3.65Å; P1838-W1846 HydrophobicContact CG-CZ2 4.29Å; P1838-W1846 HydrophobicContact CG-CZ3 3.67Å; P1838-Q1917 PolarHBondContact O-NE2 2.86Å |
| 1839 | Q | 78.1 | Confident | 76.1 | Confident | 155 Ų | 155 | 60.9 Ų | 60.9 | 72% | 0.724 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -57 | 149.8 | 174.3 | -65.4 | -176 | 0 | 0 | 0 | 111.4 | E1841 T1842 L1843 | Q1839-E1841 PolarHBondContact O-N 3.05Å; Q1839-E1841 VanDerWaalsContact O-N 3.07Å; Q1839-T1842 WeakPolarHBondContact O-CB 3.45Å; Q1839-T1842 PolarHBondContact O-N 3.36Å; Q1839-T1842 PolarHBondContact O-OG1 2.9Å; Q1839-L1843 PolarHBondContact O-N 3.35Å |
| 1840 | L | 76.2 | Confident | 75.4 | Confident | 55 Ų | 55 | 55.5 Ų | 55.5 | 29% | 0.288 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -50.3 | -40.5 | -169.6 | -173.1 | 71.4 | 0 | 0 | 0 | 114.2 | R1844 Q1917 F1920 | L1840-R1844 VanDerWaalsContact O-CB 3.24Å; L1840-R1844 WeakPolarHBondContact O-CB 3.34Å; L1840-R1844 PolarHBondContact O-N 3.47Å; L1840-Q1917 HydrophobicContact CD1-CG 4.49Å; L1840-F1920 HydrophobicContact CD1-CB 3.58Å; L1840-F1920 HydrophobicContact CD1-CD1 3.8Å; L1840-F1920 HydrophobicContact CD1-CG 3.8Å |
| 1841 | E | 75.3 | Confident | 74.8 | Confident | 163 Ų | 163 | 52.3 Ų | 52.3 | 76% | 0.762 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -70.2 | -43.6 | -179.5 | -59.4 | -172.8 | 158.7 | 0 | 0 | 111.7 | Q1839 R1844 Q1845 | Q1839-E1841 PolarHBondContact O-N 3.05Å; Q1839-E1841 VanDerWaalsContact O-N 3.07Å; E1841-R1844 PolarHBondContact O-N 3.26Å; E1841-Q1845 PolarHBondContact O-N 3.37Å |
| 1842 | T | 77.8 | Confident | 73.8 | Confident | 53 Ų | 53 | 54.6 Ų | 54.6 | 33% | 0.325 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 177.1 | -29.6 | 0 | 0 | 0 | 0 | 111.1 | P1838 Q1839 Q1845 W1846 | P1838-T1842 HydrophobicContact CB-CG2 4.46Å; Q1839-T1842 WeakPolarHBondContact O-CB 3.45Å; Q1839-T1842 PolarHBondContact O-N 3.36Å; Q1839-T1842 PolarHBondContact O-OG1 2.9Å; T1842-Q1845 PolarHBondContact O-N 3.17Å; T1842-W1846 HydrophobicContact CG2-CZ2 4.26Å; T1842-W1846 PolarHBondContact O-N 2.94Å |
| 1843 | L | 79.2 | Confident | 72.5 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 177.5 | -175 | 64.5 | 0 | 0 | 0 | 111.4 | W1837 Q1839 Q1845 W1846 L1847 L1881 Q1917 L1921 | W1837-L1843 HydrophobicContact CB-CD2 4.42Å; W1837-L1843 HydrophobicContact CE3-CD2 4.28Å; Q1839-L1843 PolarHBondContact O-N 3.35Å; L1843-Q1845 VanDerWaalsContact C-N 3.33Å; L1843-Q1845 PolarHBondContact O-N 3.13Å; L1843-W1846 PolarHBondContact O-N 3.28Å; L1843-L1847 HydrophobicContact CD1-CD1 4.5Å; L1843-L1847 HydrophobicContact CG-CD1 4.2Å; L1843-L1847 VanDerWaalsContact O-CG 3.29Å; L1843-L1847 WeakPolarHBondContact O-CG 3.36Å; L1843-L1847 PolarHBondContact O-N 3.06Å; L1843-L1847 VanDerWaalsContact O-N 3.1Å; L1843-L1881 HydrophobicContact CD1-CD1 4.38Å; L1843-Q1917 HydrophobicContact CD2-CB 3.95Å; L1843-Q1917 HydrophobicContact CD2-CG 3.94Å; L1843-L1921 HydrophobicContact CD2-CD1 4.4Å |
| 1844 | R | 77.1 | Confident | 71.1 | Confident | 104 Ų | 104 | 58.7 Ų | 58.7 | 39% | 0.392 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 173 | 177.2 | -177.7 | -68.3 | -176.5 | 1 | 111.4 | L1840 E1841 L1847 Q1848 F1920 | L1840-R1844 VanDerWaalsContact O-CB 3.24Å; L1840-R1844 WeakPolarHBondContact O-CB 3.34Å; L1840-R1844 PolarHBondContact O-N 3.47Å; E1841-R1844 PolarHBondContact O-N 3.26Å; R1844-L1847 PolarHBondContact O-N 3.19Å; R1844-Q1848 HydrophobicContact CG-CG 4.43Å; R1844-Q1848 WeakPolarHBondContact O-CB 3.31Å; R1844-Q1848 VanDerWaalsContact O-CG 3.31Å; R1844-Q1848 WeakPolarHBondContact O-CG 3.45Å; R1844-Q1848 PolarHBondContact O-N 3.2Å; R1844-F1920 HydrophobicContact CB-CE1 4.17Å; R1844-F1920 HydrophobicContact CB-CZ 4.27Å; R1844-F1920 HydrophobicContact CG-CE1 4.43Å; R1844-F1920 HydrophobicContact CG-CZ 4.05Å |
| 1845 | Q | 76.3 | Confident | 69.6 | Low | 107 Ų | 107 | 63.9 Ų | 63.9 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 178.4 | -172.3 | 178.9 | 6 | 0 | 0 | 111.5 | E1841 T1842 L1843 L1847 Q1848 D1849 | E1841-Q1845 PolarHBondContact O-N 3.37Å; T1842-Q1845 PolarHBondContact O-N 3.17Å; L1843-Q1845 VanDerWaalsContact C-N 3.33Å; L1843-Q1845 PolarHBondContact O-N 3.13Å; Q1845-L1847 VanDerWaalsContact C-N 3.28Å; Q1845-L1847 PolarHBondContact O-N 2.8Å; Q1845-Q1848 PolarHBondContact O-N 3.42Å; Q1845-D1849 WeakPolarHBondContact O-CB 3.26Å; Q1845-D1849 PolarHBondContact O-N 3.42Å |
| 1846 | W | 78.7 | Confident | 68 | Low | 27 Ų | 27 | 68.2 Ų | 68.2 | 10% | 0.102 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61 | -37.2 | 179.3 | -66.4 | 7.7 | 0 | 0 | 0 | 112.6 | K1754 P1838 T1842 L1843 G1850 W1877 | K1754-W1846 HydrophobicContact CB-CD2 4.35Å; K1754-W1846 HydrophobicContact CB-CZ2 3.99Å; K1754-W1846 HydrophobicContact CG-CD2 4.09Å; K1754-W1846 HydrophobicContact CG-CG 4.12Å; P1838-W1846 HydrophobicContact CG-CE3 4.31Å; P1838-W1846 HydrophobicContact CG-CH2 3.65Å; P1838-W1846 HydrophobicContact CG-CZ2 4.29Å; P1838-W1846 HydrophobicContact CG-CZ3 3.67Å; T1842-W1846 HydrophobicContact CG2-CZ2 4.26Å; T1842-W1846 PolarHBondContact O-N 2.94Å; L1843-W1846 PolarHBondContact O-N 3.28Å; W1846-G1850 PolarHBondContact O-N 3.45Å; W1846-G1850 VanDerWaalsContact O-N 3.14Å; W1846-W1877 AromaticContact CE3-CD1 3.84Å; W1846-W1877 AromaticContact CE3-CD2 3.92Å; W1846-W1877 HydrophobicContact CE3-CD2 3.92Å; W1846-W1877 AromaticContact CE3-CE2 3.69Å; W1846-W1877 HydrophobicContact CE3-CG 4.05Å; W1846-W1877 HydrophobicContact CE3-CZ2 4.31Å; W1846-W1877 AromaticContact CE3-NE1 3.6Å; W1846-W1877 HydrophobicContact CZ3-CD2 4.19Å; W1846-W1877 AromaticContact CZ3-CE2 3.76Å; W1846-W1877 HydrophobicContact CZ3-CH2 4.38Å; W1846-W1877 AromaticContact CZ3-CZ2 3.9Å; W1846-W1877 HydrophobicContact CZ3-CZ2 3.9Å |
| 1847 | L | 73 | Confident | 66.1 | Low | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71.6 | -39.4 | 176.5 | -66.8 | 170 | 0 | 0 | 0 | 112.5 | L1843 R1844 Q1845 E1851 W1877 L1881 L1921 Y1924 | L1843-L1847 HydrophobicContact CD1-CD1 4.5Å; L1843-L1847 HydrophobicContact CG-CD1 4.2Å; L1843-L1847 VanDerWaalsContact O-CG 3.29Å; L1843-L1847 WeakPolarHBondContact O-CG 3.36Å; L1843-L1847 PolarHBondContact O-N 3.06Å; L1843-L1847 VanDerWaalsContact O-N 3.1Å; R1844-L1847 PolarHBondContact O-N 3.19Å; Q1845-L1847 VanDerWaalsContact C-N 3.28Å; Q1845-L1847 PolarHBondContact O-N 2.8Å; L1847-E1851 WeakPolarHBondContact O-CG 3.47Å; L1847-E1851 PolarHBondContact O-N 3.19Å; L1847-E1851 VanDerWaalsContact O-N 3.12Å; L1847-W1877 HydrophobicContact CD2-CB 4.32Å; L1847-L1881 HydrophobicContact CD2-CD1 4.05Å; L1847-L1921 HydrophobicContact CD1-CD2 3.66Å; L1847-Y1924 HydrophobicContact CB-CE1 4.38Å |
| 1848 | Q | 72.4 | Confident | 64.2 | Low | 102 Ų | 102 | 77.8 Ų | 77.8 | 48% | 0.477 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 174.4 | -74.5 | 177 | -28.5 | 0 | 0 | 112.2 | R1844 Q1845 E1851 S1852 | R1844-Q1848 HydrophobicContact CG-CG 4.43Å; R1844-Q1848 WeakPolarHBondContact O-CB 3.31Å; R1844-Q1848 VanDerWaalsContact O-CG 3.31Å; R1844-Q1848 WeakPolarHBondContact O-CG 3.45Å; R1844-Q1848 PolarHBondContact O-N 3.2Å; Q1845-Q1848 PolarHBondContact O-N 3.42Å; Q1848-E1851 PolarHBondContact O-N 3.03Å; Q1848-S1852 PolarHBondContact O-N 3.42Å |
| 1849 | D | 66.7 | Low | 61.9 | Low | 43 Ų | 43 | 83.8 Ų | 83.8 | 23% | 0.23 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65 | -46.5 | 177.5 | -70.9 | -16.4 | 0 | 0 | 0 | 111.3 | K1754 Q1845 E1851 S1852 Y1853 | K1754-D1849 WeakPolarHBondContact CE-OD2 3.33Å; K1754-D1849 IonicContact NZ-OD2 2.68Å; K1754-D1849 PolarHBondContact NZ-OD2 3.21Å; Q1845-D1849 WeakPolarHBondContact O-CB 3.26Å; Q1845-D1849 PolarHBondContact O-N 3.42Å; D1849-E1851 PolarHBondContact O-N 3.28Å; D1849-S1852 WeakPolarHBondContact O-CB 3.39Å; D1849-S1852 PolarHBondContact O-N 3.23Å; D1849-S1852 PolarHBondContact O-OG 2.96Å; D1849-Y1853 WeakPolarHBondContact O-CD2 3.49Å; D1849-Y1853 PolarHBondContact O-N 3.02Å; D1849-Y1853 VanDerWaalsContact O-N 3.07Å |
| 1850 | G | 63 | Low | 59.4 | Low | 8 Ų | 8 | 80.4 Ų | 80.4 | 8% | 0.082 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | W1846 S1852 Y1853 S1854 D1876 | W1846-G1850 PolarHBondContact O-N 3.45Å; W1846-G1850 VanDerWaalsContact O-N 3.14Å; G1850-S1852 PolarHBondContact O-N 3.34Å; G1850-Y1853 PolarHBondContact O-N 3.27Å; G1850-Y1853 VanDerWaalsContact O-N 3.15Å; G1850-S1854 PolarHBondContact O-N 3.03Å; G1850-S1854 VanDerWaalsContact O-N 3.08Å; G1850-S1854 PolarHBondContact O-OG 3.36Å; G1850-D1876 WeakPolarHBondContact CA-OD1 3.4Å |
| 1851 | E | 63.2 | Low | 57.1 | Low | 24 Ų | 24 | 87.9 Ų | 87.9 | 11% | 0.112 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65 | -22 | 174.6 | -72.3 | -172.9 | 142.4 | 0 | 0 | 113.3 | L1847 Q1848 D1849 S1854 N1855 Y1924 S1958 R1961 | L1847-E1851 WeakPolarHBondContact O-CG 3.47Å; L1847-E1851 PolarHBondContact O-N 3.19Å; L1847-E1851 VanDerWaalsContact O-N 3.12Å; Q1848-E1851 PolarHBondContact O-N 3.03Å; D1849-E1851 PolarHBondContact O-N 3.28Å; E1851-S1854 WeakPolarHBondContact CA-OG 3.37Å; E1851-S1854 PolarHBondContact O-OG 3.36Å; E1851-N1855 PolarHBondContact O-ND2 2.99Å; E1851-Y1924 PolarHBondContact OE2-OH 3.1Å; E1851-S1958 WeakPolarHBondContact OE1-CB 3.49Å; E1851-S1958 PolarHBondContact OE1-OG 3.26Å; E1851-R1961 WeakPolarHBondContact OE1-CG 3.43Å; E1851-R1961 IonicContact OE1-CZ 3.23Å; E1851-R1961 IonicContact OE1-NE 2.83Å; E1851-R1961 PolarHBondContact OE1-NE 3.28Å; E1851-R1961 IonicContact OE1-NH2 2.72Å; E1851-R1961 IonicContact OE2-CZ 2.65Å; E1851-R1961 VanDerWaalsContact OE2-CZ 3.27Å; E1851-R1961 IonicContact OE2-NE 2.61Å; E1851-R1961 PolarHBondContact OE2-NE 2.94Å; E1851-R1961 VanDerWaalsContact OE2-NE 3.08Å; E1851-R1961 IonicContact OE2-NH2 3.65Å; E1851-R1961 PolarHBondContact OE2-NH2 3.22Å |
| 1852 | S | 57.6 | Low | 54.7 | Low | 49 Ų | 49 | 87.8 Ų | 87.8 | 34% | 0.343 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -74.3 | -45.9 | 170.2 | 81.8 | 0 | 0 | 0 | 0 | 111.8 | Q1848 D1849 G1850 S1854 N1855 I1856 | Q1848-S1852 PolarHBondContact O-N 3.42Å; D1849-S1852 WeakPolarHBondContact O-CB 3.39Å; D1849-S1852 PolarHBondContact O-N 3.23Å; D1849-S1852 PolarHBondContact O-OG 2.96Å; G1850-S1852 PolarHBondContact O-N 3.34Å; S1852-S1854 VanDerWaalsContact C-N 3.34Å; S1852-S1854 PolarHBondContact O-N 3.1Å; S1852-N1855 PolarHBondContact O-N 3.17Å; S1852-N1855 VanDerWaalsContact O-N 3.08Å; S1852-I1856 WeakPolarHBondContact O-CD1 3.43Å; S1852-I1856 VanDerWaalsContact O-CG1 3.31Å; S1852-I1856 WeakPolarHBondContact O-CG1 3.49Å; S1852-I1856 PolarHBondContact O-N 3.12Å; S1852-I1856 VanDerWaalsContact O-N 3.07Å |
| 1853 | Y | 48.4 | Very low | 52.3 | Low | 158 Ų | 158 | 92 Ų | 92 | 62% | 0.62 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.8 | -41.8 | 178.9 | -91.7 | -82.1 | 0 | 0 | 0 | 112.3 | D1849 G1850 N1855 I1856 | D1849-Y1853 WeakPolarHBondContact O-CD2 3.49Å; D1849-Y1853 PolarHBondContact O-N 3.02Å; D1849-Y1853 VanDerWaalsContact O-N 3.07Å; G1850-Y1853 PolarHBondContact O-N 3.27Å; G1850-Y1853 VanDerWaalsContact O-N 3.15Å; Y1853-N1855 PolarHBondContact O-N 2.94Å; Y1853-I1856 PolarHBondContact O-N 3.16Å |
| 1854 | S | 49.1 | Very low | 49.8 | Very low | 68 Ų | 68 | 98.1 Ų | 98.1 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.7 | -20.9 | 177.7 | 57.9 | 0 | 0 | 0 | 0 | 114.2 | G1850 E1851 S1852 | G1850-S1854 PolarHBondContact O-N 3.03Å; G1850-S1854 VanDerWaalsContact O-N 3.08Å; G1850-S1854 PolarHBondContact O-OG 3.36Å; E1851-S1854 WeakPolarHBondContact CA-OG 3.37Å; E1851-S1854 PolarHBondContact O-OG 3.36Å; S1852-S1854 VanDerWaalsContact C-N 3.34Å; S1852-S1854 PolarHBondContact O-N 3.1Å |
| 1855 | N | 41.9 | Very low | 47.4 | Very low | 110 Ų | 110 | 98.5 Ų | 98.5 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -93.1 | -25.4 | 176.5 | -80.3 | -70.5 | 0 | 0 | 0 | 113.2 | E1851 S1852 Y1853 | E1851-N1855 PolarHBondContact O-ND2 2.99Å; S1852-N1855 PolarHBondContact O-N 3.17Å; S1852-N1855 VanDerWaalsContact O-N 3.08Å; Y1853-N1855 PolarHBondContact O-N 2.94Å |
| 1856 | I | 42.5 | Very low | 45.2 | Very low | 93 Ų | 93 | 100.8 Ų | 100.8 | 48% | 0.477 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -75.7 | -33.1 | -176.2 | -71.1 | 163.6 | 0 | 0 | 0 | 112.4 | S1852 Y1853 V1858 N1859 | S1852-I1856 WeakPolarHBondContact O-CD1 3.43Å; S1852-I1856 VanDerWaalsContact O-CG1 3.31Å; S1852-I1856 WeakPolarHBondContact O-CG1 3.49Å; S1852-I1856 PolarHBondContact O-N 3.12Å; S1852-I1856 VanDerWaalsContact O-N 3.07Å; Y1853-I1856 PolarHBondContact O-N 3.16Å; I1856-V1858 PolarHBondContact O-N 3.5Å; I1856-N1859 PolarHBondContact O-N 2.94Å; I1856-N1859 VanDerWaalsContact O-N 3.13Å |
| 1857 | Q | 39.2 | Very low | 42.9 | Very low | 167 Ų | 167 | 105.6 Ų | 105.6 | 78% | 0.78 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -1.6 | -174.8 | -74.5 | -169 | 1.1 | 0 | 0 | 116.4 | ||
| 1858 | V | 36.8 | Very low | 40.7 | Very low | 115 Ų | 115 | 112.9 Ų | 112.9 | 70% | 0.697 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -19.2 | 177.3 | -176.8 | 0 | 0 | 0 | 0 | 112.9 | I1856 | I1856-V1858 PolarHBondContact O-N 3.5Š|
| 1859 | N | 27.6 | Very low | 38.8 | Very low | 154 Ų | 154 | 115.4 Ų | 115.4 | 82% | 0.824 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -141 | 33.4 | -168.4 | -80.4 | -54.4 | 0 | 0 | 0 | 115.5 | I1856 | I1856-N1859 PolarHBondContact O-N 2.94Å; I1856-N1859 VanDerWaalsContact O-N 3.13Å |
| 1860 | S | 25.4 | Very low | 37.3 | Very low | 84 Ų | 84 | 117 Ų | 117 | 59% | 0.587 | 61% | 0.605 | S | S | * | * | trans | -144.7 | 102.6 | 168.7 | 62.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1861 | F | 27.6 | Very low | 36.1 | Very low | 212 Ų | 212 | 123.3 Ų | 123.3 | 93% | 0.93 | 63% | 0.632 | S | S | * | * | trans | -78.9 | 131.8 | 154 | -89.2 | -103.8 | 0 | 0 | 0 | 108.3 | ||||
| 1862 | D | 26.4 | Very low | 35.1 | Very low | 161 Ų | 161 | 124.9 Ų | 124.9 | 86% | 0.861 | 65% | 0.646 | S | S | * | * | trans | -160.7 | 158.3 | 153.1 | -110.1 | -30.8 | 0 | 0 | 0 | 108.8 | ||||
| 1863 | D | 27 | Very low | 34.7 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | trans | -79.9 | 166.2 | -154.3 | -74.9 | -48.7 | 0 | 0 | 0 | 117.9 | ||||
| 1864 | N | 26 | Very low | 34.9 | Very low | 132 Ų | 132 | 125.9 Ų | 125.9 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | trans | 74.2 | 97.1 | 159.2 | -57.5 | -58.9 | 0 | 0 | 0 | 119.1 | ||||
| 1865 | C | 26.3 | Very low | 35.3 | Very low | 112 Ų | 112 | 125.3 Ų | 125.3 | 76% | 0.757 | 64% | 0.644 | S | S | * | * | -175.5 | 111.6 | 128 | -99.3 | 0 | 0 | 0 | 0 | 113.2 | M1867 | C1865-M1867 PolarHBondContact O-N 3.06Š| |||
| 1866 | Y | 30.1 | Very low | 36.4 | Very low | 154 Ų | 154 | 123 Ų | 123 | 60% | 0.604 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 77.2 | 172.4 | -89.1 | -88.1 | 0 | 0 | 0 | 112.3 | N1524 N1527 | N1524-Y1866 HydrophobicContact CB-CE1 4.36Å; N1524-Y1866 VanDerWaalsContact CG-CE1 3.42Å; N1524-Y1866 WeakPolarHBondContact ND2-CE1 3.29Å; N1524-Y1866 WeakPolarHBondContact OD1-CE1 3.33Å; N1527-Y1866 PolarHBondContact ND2-OH 3.19Å |
| 1867 | M | 30.4 | Very low | 38.1 | Very low | 129 Ų | 129 | 119.5 Ų | 119.5 | 64% | 0.635 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.4 | 9.1 | 164.1 | -102.4 | -55.8 | 159.8 | 0 | 0 | 114.9 | C1865 Q1869 | C1865-M1867 PolarHBondContact O-N 3.06Å; M1867-Q1869 PolarHBondContact O-N 3.35Å |
| 1868 | K | 26.6 | Very low | 39.8 | Very low | 154 Ų | 154 | 112.2 Ų | 112.2 | 67% | 0.67 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 61.4 | -172.5 | -73.2 | -176.4 | 174.5 | 175.3 | 0 | 114.5 | Q1871 | K1868-Q1871 HydrophobicContact CB-CG 4.36Š|
| 1869 | Q | 32.3 | Very low | 41.5 | Very low | 156 Ų | 156 | 107.8 Ų | 107.8 | 73% | 0.729 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.8 | -10.2 | 160.9 | -128.8 | 166.6 | 54.1 | 0 | 0 | 116.8 | M1867 Q1871 | M1867-Q1869 PolarHBondContact O-N 3.35Å; Q1869-Q1871 PolarHBondContact O-N 3.16Å |
| 1870 | T | 36.3 | Very low | 43.8 | Very low | 77 Ų | 77 | 100.5 Ų | 100.5 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -78.7 | 70 | 134.7 | 52.7 | 0 | 0 | 0 | 0 | 107.8 | S1872 | T1870-S1872 VanDerWaalsContact C-N 3.33Å; T1870-S1872 PolarHBondContact O-N 3.01Å |
| 1871 | Q | 37.8 | Very low | 46.4 | Very low | 139 Ų | 139 | 96.6 Ų | 96.6 | 65% | 0.65 | 49% | 0.487 | S | S | * | . | trans | -66.9 | 99.4 | 169.7 | -73.4 | -172 | -0.9 | 0 | 0 | 107.7 | K1868 Q1869 V1873 | K1868-Q1871 HydrophobicContact CB-CG 4.36Å; Q1869-Q1871 PolarHBondContact O-N 3.16Å; Q1871-V1873 PolarHBondContact O-N 3.47Å | ||
| 1872 | S | 42 | Very low | 48.8 | Very low | 58 Ų | 58 | 87.2 Ų | 87.2 | 41% | 0.406 | 45% | 0.447 | S | S | . | . | trans | -49.9 | 111.7 | 150.3 | 39.3 | 0 | 0 | 0 | 0 | 106.2 | T1870 H1874 | T1870-S1872 VanDerWaalsContact C-N 3.33Å; T1870-S1872 PolarHBondContact O-N 3.01Å; S1872-H1874 PolarHBondContact O-N 3.43Å | ||
| 1873 | V | 48.5 | Very low | 51.3 | Low | 79 Ų | 79 | 80.7 Ų | 80.7 | 48% | 0.479 | 41% | 0.412 | S | S | . | . | trans | -61 | 108.7 | 173.8 | 176.2 | 0 | 0 | 0 | 0 | 105.1 | Q1871 Y1875 | Q1871-V1873 PolarHBondContact O-N 3.47Å; V1873-Y1875 VanDerWaalsContact C-N 3.26Å; V1873-Y1875 HydrophobicContact CB-CD2 4.43Å; V1873-Y1875 HydrophobicContact CB-CE1 4.05Å; V1873-Y1875 HydrophobicContact CB-CE2 3.9Å; V1873-Y1875 HydrophobicContact CG1-CD1 3.89Å; V1873-Y1875 HydrophobicContact CG1-CE1 3.52Å; V1873-Y1875 HydrophobicContact CG1-CE2 4.25Å; V1873-Y1875 HydrophobicContact CG1-CG 4.39Å; V1873-Y1875 WeakPolarHBondContact O-CD2 3.21Å; V1873-Y1875 WeakPolarHBondContact O-CE2 3.4Å; V1873-Y1875 PolarHBondContact O-N 3.12Å | ||
| 1874 | H | 52.6 | Low | 53.9 | Low | 149 Ų | 149 | 74 Ų | 74 | 69% | 0.69 | 38% | 0.376 | S | S | * | . | trans | -67.2 | 93.6 | 177.6 | -84.4 | -74.7 | 0 | 0 | 0 | 107.7 | S1872 D1876 | S1872-H1874 PolarHBondContact O-N 3.43Å; H1874-D1876 PolarHBondContact O-N 3.32Å | ||
| 1875 | Y | 57.9 | Low | 56.4 | Low | 56 Ų | 56 | 67.9 Ų | 67.9 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | trans | -74.4 | 111 | 177.6 | -66.7 | -67.7 | 0 | 0 | 0 | 108.2 | A1757 H1761 V1873 A1879 | A1757-Y1875 WeakPolarHBondContact CB-O 3.39Å; H1761-Y1875 HydrophobicContact CB-CD2 3.69Å; H1761-Y1875 HydrophobicContact CB-CE2 4.38Å; H1761-Y1875 HydrophobicContact CB-CG 3.82Å; H1761-Y1875 AromaticContact CD2-CD1 3.62Å; H1761-Y1875 AromaticContact CD2-CG 3.71Å; H1761-Y1875 AromaticContact CE1-CD1 3.72Å; H1761-Y1875 AromaticContact CE1-CE1 3.31Å; H1761-Y1875 WeakPolarHBondContact CE1-CE1 3.35Å; H1761-Y1875 AromaticContact CE1-CE2 3.71Å; H1761-Y1875 AromaticContact CE1-CZ 3.31Å; H1761-Y1875 AromaticContact CG-CD1 3.8Å; H1761-Y1875 AromaticContact CG-CD2 3.51Å; H1761-Y1875 AromaticContact CG-CE2 3.86Å; H1761-Y1875 AromaticContact CG-CG 3.48Å; H1761-Y1875 VanDerWaalsContact CG-CG 3.48Å; H1761-Y1875 AromaticContact ND1-CD1 3.85Å; H1761-Y1875 AromaticContact ND1-CD2 3.43Å; H1761-Y1875 WeakPolarHBondContact ND1-CD2 3.49Å; H1761-Y1875 AromaticContact ND1-CE1 3.7Å; H1761-Y1875 AromaticContact ND1-CE2 3.26Å; H1761-Y1875 VanDerWaalsContact ND1-CE2 3.26Å; H1761-Y1875 WeakPolarHBondContact ND1-CE2 3.34Å; H1761-Y1875 AromaticContact ND1-CG 3.73Å; H1761-Y1875 AromaticContact ND1-CZ 3.4Å; H1761-Y1875 AromaticContact NE2-CD1 3.58Å; H1761-Y1875 AromaticContact NE2-CE1 3.53Å; V1873-Y1875 VanDerWaalsContact C-N 3.26Å; V1873-Y1875 HydrophobicContact CB-CD2 4.43Å; V1873-Y1875 HydrophobicContact CB-CE1 4.05Å; V1873-Y1875 HydrophobicContact CB-CE2 3.9Å; V1873-Y1875 HydrophobicContact CG1-CD1 3.89Å; V1873-Y1875 HydrophobicContact CG1-CE1 3.52Å; V1873-Y1875 HydrophobicContact CG1-CE2 4.25Å; V1873-Y1875 HydrophobicContact CG1-CG 4.39Å; V1873-Y1875 WeakPolarHBondContact O-CD2 3.21Å; V1873-Y1875 WeakPolarHBondContact O-CE2 3.4Å; V1873-Y1875 PolarHBondContact O-N 3.12Å; Y1875-A1879 HydrophobicContact CD1-CB 4.24Å | ||
| 1876 | D | 65.9 | Low | 59 | Low | 60 Ų | 60 | 66 Ų | 66 | 32% | 0.321 | 32% | 0.323 | S | S | . | . | trans | -57.7 | 155 | 168.3 | -69.9 | -44.4 | 0 | 0 | 0 | 110.7 | G1850 H1874 N1878 A1879 V1880 | G1850-D1876 WeakPolarHBondContact CA-OD1 3.4Å; H1874-D1876 PolarHBondContact O-N 3.32Å; D1876-N1878 HydrophobicContact CB-CB 4.3Å; D1876-N1878 PolarHBondContact O-N 2.87Å; D1876-A1879 WeakPolarHBondContact O-CB 3.46Å; D1876-A1879 PolarHBondContact O-N 3.47Å; D1876-V1880 PolarHBondContact O-N 3.09Å | ||
| 1877 | W | 77.4 | Confident | 61.4 | Low | 21 Ų | 21 | 58.8 Ų | 58.8 | 8% | 0.08 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -52.9 | -30.5 | 171.9 | -76.6 | 98.1 | 0 | 0 | 0 | 113.1 | L1753 K1754 A1757 W1846 L1847 A1879 V1880 L1881 | L1753-W1877 WeakPolarHBondContact O-CZ2 3.3Å; K1754-W1877 PolarHBondContact O-NE1 3.06Å; A1757-W1877 HydrophobicContact CB-CD2 4.15Å; A1757-W1877 HydrophobicContact CB-CG 4.44Å; A1757-W1877 HydrophobicContact CB-CZ2 3.92Å; W1846-W1877 AromaticContact CE3-CD1 3.84Å; W1846-W1877 AromaticContact CE3-CD2 3.92Å; W1846-W1877 HydrophobicContact CE3-CD2 3.92Å; W1846-W1877 AromaticContact CE3-CE2 3.69Å; W1846-W1877 HydrophobicContact CE3-CG 4.05Å; W1846-W1877 HydrophobicContact CE3-CZ2 4.31Å; W1846-W1877 AromaticContact CE3-NE1 3.6Å; W1846-W1877 HydrophobicContact CZ3-CD2 4.19Å; W1846-W1877 AromaticContact CZ3-CE2 3.76Å; W1846-W1877 HydrophobicContact CZ3-CH2 4.38Å; W1846-W1877 AromaticContact CZ3-CZ2 3.9Å; W1846-W1877 HydrophobicContact CZ3-CZ2 3.9Å; L1847-W1877 HydrophobicContact CD2-CB 4.32Å; W1877-A1879 VanDerWaalsContact C-N 3.26Å; W1877-A1879 PolarHBondContact O-N 3.21Å; W1877-V1880 HydrophobicContact CE3-CB 4.01Å; W1877-V1880 HydrophobicContact CE3-CG1 4.13Å; W1877-V1880 HydrophobicContact CE3-CG2 4.16Å; W1877-V1880 HydrophobicContact CZ3-CB 4.29Å; W1877-V1880 HydrophobicContact CZ3-CG1 3.93Å; W1877-V1880 HydrophobicContact CZ3-CG2 4.38Å; W1877-V1880 PolarHBondContact O-N 2.91Å; W1877-L1881 WeakPolarHBondContact O-CB 3.34Å; W1877-L1881 WeakPolarHBondContact O-CD1 3.32Å; W1877-L1881 WeakPolarHBondContact O-CG 3.47Å; W1877-L1881 PolarHBondContact O-N 2.96Å |
| 1878 | N | 74.8 | Confident | 63.7 | Low | 13 Ų | 13 | 52.7 Ų | 52.7 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -50 | -44 | 169 | -84.8 | -53.2 | 0 | 0 | 0 | 113 | D1876 I1882 | D1876-N1878 HydrophobicContact CB-CB 4.3Å; D1876-N1878 PolarHBondContact O-N 2.87Å; N1878-I1882 VanDerWaalsContact O-CB 3.3Å; N1878-I1882 WeakPolarHBondContact O-CB 3.26Å; N1878-I1882 VanDerWaalsContact O-CD1 3.31Å; N1878-I1882 WeakPolarHBondContact O-CD1 3.45Å; N1878-I1882 WeakPolarHBondContact O-CG1 3.42Å; N1878-I1882 PolarHBondContact O-N 3.03Å |
| 1879 | A | 71.9 | Confident | 66.1 | Low | 23 Ų | 23 | 45.9 Ų | 45.9 | 19% | 0.19 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.3 | -39.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1875 D1876 W1877 L1883 | Y1875-A1879 HydrophobicContact CD1-CB 4.24Å; D1876-A1879 WeakPolarHBondContact O-CB 3.46Å; D1876-A1879 PolarHBondContact O-N 3.47Å; W1877-A1879 VanDerWaalsContact C-N 3.26Å; W1877-A1879 PolarHBondContact O-N 3.21Å; A1879-L1883 WeakPolarHBondContact O-CB 3.46Å; A1879-L1883 PolarHBondContact O-N 3.01Å; A1879-L1883 VanDerWaalsContact O-N 3.11Å |
| 1880 | V | 77.5 | Confident | 68.1 | Low | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.7 | -55.8 | 175.8 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | A1757 H1761 I1764 D1876 W1877 I1882 L1883 E1884 | A1757-V1880 HydrophobicContact CB-CG2 3.94Å; H1761-V1880 HydrophobicContact CB-CG2 4.2Å; I1764-V1880 HydrophobicContact CD1-CG1 4.16Å; D1876-V1880 PolarHBondContact O-N 3.09Å; W1877-V1880 HydrophobicContact CE3-CB 4.01Å; W1877-V1880 HydrophobicContact CE3-CG1 4.13Å; W1877-V1880 HydrophobicContact CE3-CG2 4.16Å; W1877-V1880 HydrophobicContact CZ3-CB 4.29Å; W1877-V1880 HydrophobicContact CZ3-CG1 3.93Å; W1877-V1880 HydrophobicContact CZ3-CG2 4.38Å; W1877-V1880 PolarHBondContact O-N 2.91Å; V1880-I1882 VanDerWaalsContact C-N 3.29Å; V1880-I1882 PolarHBondContact O-N 3.26Å; V1880-L1883 WeakPolarHBondContact O-CA 3.48Å; V1880-L1883 PolarHBondContact O-N 3.34Å; V1880-E1884 HydrophobicContact CG1-CG 4.37Å; V1880-E1884 WeakPolarHBondContact O-CG 3.2Å; V1880-E1884 PolarHBondContact O-N 3.48Å |
| 1881 | L | 79.3 | Confident | 69.9 | Low | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.7 | -40.2 | -178.8 | -62.3 | 164.9 | 0 | 0 | 0 | 112.1 | W1837 L1843 L1847 W1877 L1883 M1885 L1964 | W1837-L1881 HydrophobicContact CD2-CD2 3.95Å; W1837-L1881 HydrophobicContact CG-CD2 4.23Å; W1837-L1881 HydrophobicContact CH2-CD2 4.33Å; W1837-L1881 HydrophobicContact CZ2-CD2 3.5Å; W1837-L1881 VanDerWaalsContact NE1-CD2 3.28Å; L1843-L1881 HydrophobicContact CD1-CD1 4.38Å; L1847-L1881 HydrophobicContact CD2-CD1 4.05Å; W1877-L1881 WeakPolarHBondContact O-CB 3.34Å; W1877-L1881 WeakPolarHBondContact O-CD1 3.32Å; W1877-L1881 WeakPolarHBondContact O-CG 3.47Å; W1877-L1881 PolarHBondContact O-N 2.96Å; L1881-L1883 VanDerWaalsContact C-N 3.3Å; L1881-L1883 PolarHBondContact O-N 3.06Å; L1881-M1885 WeakPolarHBondContact O-CB 3.42Å; L1881-M1885 WeakPolarHBondContact O-CG 3.17Å; L1881-M1885 PolarHBondContact O-N 2.79Å; L1881-M1885 VanDerWaalsContact O-N 3.1Å; L1881-L1964 HydrophobicContact CB-CD1 4.13Å; L1881-L1964 HydrophobicContact CD1-CD1 4.09Å |
| 1882 | I | 77.5 | Confident | 71.7 | Confident | 14 Ų | 14 | 31.7 Ų | 31.7 | 7% | 0.072 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.6 | -32.5 | 175.3 | -79.2 | 171.3 | 0 | 0 | 0 | 112.1 | N1878 V1880 Q1886 Q1963 L1964 | N1878-I1882 VanDerWaalsContact O-CB 3.3Å; N1878-I1882 WeakPolarHBondContact O-CB 3.26Å; N1878-I1882 VanDerWaalsContact O-CD1 3.31Å; N1878-I1882 WeakPolarHBondContact O-CD1 3.45Å; N1878-I1882 WeakPolarHBondContact O-CG1 3.42Å; N1878-I1882 PolarHBondContact O-N 3.03Å; V1880-I1882 VanDerWaalsContact C-N 3.29Å; V1880-I1882 PolarHBondContact O-N 3.26Å; I1882-Q1886 VanDerWaalsContact O-CG 3.3Å; I1882-Q1886 WeakPolarHBondContact O-CG 3.42Å; I1882-Q1886 PolarHBondContact O-N 3.27Å; I1882-Q1886 PolarHBondContact O-NE2 3.3Å; I1882-Q1963 HydrophobicContact CD1-CB 4.12Å; I1882-Q1963 HydrophobicContact CD1-CG 4.03Å; I1882-L1964 HydrophobicContact CD1-CB 4.06Å; I1882-L1964 HydrophobicContact CG1-CB 3.97Å; I1882-L1964 HydrophobicContact CG1-CD1 4.45Å; I1882-L1964 HydrophobicContact CG1-CG 4.18Å |
| 1883 | L | 79.8 | Confident | 73.1 | Confident | 24 Ų | 24 | 31.9 Ų | 31.9 | 13% | 0.126 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -84.8 | -37.8 | -177.7 | -153.2 | 155.9 | 0 | 0 | 0 | 111.3 | H1761 I1764 V1768 A1879 V1880 L1881 Q1886 F1887 | H1761-L1883 VanDerWaalsContact NE2-CD1 3.33Å; H1761-L1883 WeakPolarHBondContact NE2-CD1 3.37Å; I1764-L1883 HydrophobicContact CB-CD2 3.86Å; I1764-L1883 HydrophobicContact CG2-CD2 3.4Å; I1764-L1883 VanDerWaalsContact CG2-CD2 3.4Å; V1768-L1883 HydrophobicContact CG2-CD2 3.7Å; A1879-L1883 WeakPolarHBondContact O-CB 3.46Å; A1879-L1883 PolarHBondContact O-N 3.01Å; A1879-L1883 VanDerWaalsContact O-N 3.11Å; V1880-L1883 WeakPolarHBondContact O-CA 3.48Å; V1880-L1883 PolarHBondContact O-N 3.34Å; L1881-L1883 VanDerWaalsContact C-N 3.3Å; L1881-L1883 PolarHBondContact O-N 3.06Å; L1883-Q1886 PolarHBondContact O-N 2.93Å; L1883-F1887 WeakPolarHBondContact O-CB 3.13Å; L1883-F1887 PolarHBondContact O-N 3.45Å |
| 1884 | E | 81.3 | Confident | 74.1 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -53.6 | -52.3 | 166.5 | -68.5 | 179.2 | 167.7 | 0 | 0 | 111.2 | I1764 F1835 W1837 V1880 Q1886 F1887 L1888 | I1764-E1884 HydrophobicContact CD1-CG 3.82Å; F1835-E1884 HydrophobicContact CD1-CB 4.44Å; F1835-E1884 HydrophobicContact CD1-CG 3.84Å; F1835-E1884 HydrophobicContact CE1-CB 4.28Å; F1835-E1884 HydrophobicContact CE1-CG 3.65Å; F1835-E1884 HydrophobicContact CZ-CB 4.44Å; F1835-E1884 HydrophobicContact CZ-CG 4.24Å; W1837-E1884 PolarHBondContact NE1-OE2 3.36Å; V1880-E1884 HydrophobicContact CG1-CG 4.37Å; V1880-E1884 WeakPolarHBondContact O-CG 3.2Å; V1880-E1884 PolarHBondContact O-N 3.48Å; E1884-Q1886 VanDerWaalsContact C-N 3.27Å; E1884-Q1886 PolarHBondContact O-N 3.42Å; E1884-F1887 WeakPolarHBondContact O-CB 3.21Å; E1884-F1887 PolarHBondContact O-N 2.9Å; E1884-F1887 VanDerWaalsContact O-N 3.12Å; E1884-L1888 WeakPolarHBondContact O-CG 3.31Å; E1884-L1888 PolarHBondContact O-N 2.89Å |
| 1885 | M | 79.3 | Confident | 74.9 | Confident | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.015 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57 | -38.7 | 177.2 | -75.3 | -72.7 | 168.8 | 0 | 0 | 113.2 | W1837 L1881 C1889 F1910 L1918 I1968 L1971 | W1837-M1885 HydrophobicContact CH2-CE 3.4Å; W1837-M1885 VanDerWaalsContact CH2-CE 3.4Å; W1837-M1885 HydrophobicContact CZ2-CE 3.65Å; L1881-M1885 WeakPolarHBondContact O-CB 3.42Å; L1881-M1885 WeakPolarHBondContact O-CG 3.17Å; L1881-M1885 PolarHBondContact O-N 2.79Å; L1881-M1885 VanDerWaalsContact O-N 3.1Å; M1885-C1889 PolarHBondContact O-N 3.06Å; M1885-C1889 PolarHBondContact O-SG 3.42Å; M1885-F1910 HydrophobicContact CE-CE1 3.61Å; M1885-F1910 HydrophobicContact CE-CZ 3.5Å; M1885-F1910 VanDerWaalsContact CE-CZ 3.5Å; M1885-F1910 HydrophobicContact SD-CE1 4.31Å; M1885-F1910 HydrophobicContact SD-CZ 4.49Å; M1885-L1918 HydrophobicContact CE-CD2 3.6Å; M1885-I1968 HydrophobicContact CE-CG1 3.98Å; M1885-I1968 HydrophobicContact SD-CG1 4.39Å; M1885-L1971 HydrophobicContact CE-CD2 4.46Å; M1885-L1971 HydrophobicContact SD-CB 4.4Å; M1885-L1971 HydrophobicContact SD-CD2 3.78Å |
| 1886 | Q | 79.1 | Confident | 75.2 | Confident | 74 Ų | 74 | 23.8 Ų | 23.8 | 35% | 0.346 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -71.9 | -38.8 | 177.5 | -77.7 | 173 | 71.4 | 0 | 0 | 111.8 | I1882 L1883 E1884 C1889 L1890 T1967 | I1882-Q1886 VanDerWaalsContact O-CG 3.3Å; I1882-Q1886 WeakPolarHBondContact O-CG 3.42Å; I1882-Q1886 PolarHBondContact O-N 3.27Å; I1882-Q1886 PolarHBondContact O-NE2 3.3Å; L1883-Q1886 PolarHBondContact O-N 2.93Å; E1884-Q1886 VanDerWaalsContact C-N 3.27Å; E1884-Q1886 PolarHBondContact O-N 3.42Å; Q1886-C1889 PolarHBondContact O-N 3.12Å; Q1886-L1890 WeakPolarHBondContact O-CB 3.37Å; Q1886-L1890 VanDerWaalsContact O-CG 3.26Å; Q1886-L1890 WeakPolarHBondContact O-CG 3.4Å; Q1886-L1890 PolarHBondContact O-N 2.91Å; Q1886-T1967 HydrophobicContact CG-CG2 4.29Å |
| 1887 | F | 81.6 | Confident | 75.2 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 173 | 178.7 | -103.6 | 0 | 0 | 0 | 111.5 | I1764 L1767 V1768 V1771 I1824 I1831 F1835 L1883 E1884 C1889 L1890 L1891 | I1764-F1887 HydrophobicContact CG2-CB 4.32Å; I1764-F1887 HydrophobicContact CG2-CG 4.47Å; L1767-F1887 HydrophobicContact CB-CD2 4.42Å; L1767-F1887 HydrophobicContact CB-CE2 3.8Å; L1767-F1887 HydrophobicContact CB-CZ 4.29Å; V1768-F1887 HydrophobicContact CG2-CB 3.86Å; V1768-F1887 HydrophobicContact CG2-CD2 3.76Å; V1768-F1887 HydrophobicContact CG2-CG 4.27Å; V1771-F1887 HydrophobicContact CG2-CD2 4.33Å; V1771-F1887 HydrophobicContact CG2-CE2 3.68Å; I1824-F1887 HydrophobicContact CG2-CZ 3.93Å; I1831-F1887 HydrophobicContact CG2-CE1 4.38Å; F1835-F1887 AromaticContact CE2-CD1 3.79Å; F1835-F1887 HydrophobicContact CE2-CD1 3.79Å; F1835-F1887 HydrophobicContact CE2-CE1 4.13Å; F1835-F1887 AromaticContact CZ-CD1 3.74Å; F1835-F1887 HydrophobicContact CZ-CD1 3.74Å; F1835-F1887 HydrophobicContact CZ-CE1 4.07Å; L1883-F1887 WeakPolarHBondContact O-CB 3.13Å; L1883-F1887 PolarHBondContact O-N 3.45Å; E1884-F1887 WeakPolarHBondContact O-CB 3.21Å; E1884-F1887 PolarHBondContact O-N 2.9Å; E1884-F1887 VanDerWaalsContact O-N 3.12Å; F1887-C1889 PolarHBondContact O-N 3.4Å; F1887-L1890 PolarHBondContact O-N 3.25Å; F1887-L1891 HydrophobicContact CD1-CD1 3.99Å; F1887-L1891 HydrophobicContact CD1-CG 4.5Å; F1887-L1891 HydrophobicContact CE1-CD1 3.53Å; F1887-L1891 HydrophobicContact CE1-CG 4.27Å; F1887-L1891 HydrophobicContact CZ-CD1 3.87Å; F1887-L1891 HydrophobicContact CZ-CD2 4.47Å; F1887-L1891 HydrophobicContact CZ-CG 4.29Å; F1887-L1891 WeakPolarHBondContact O-CG 3.42Å; F1887-L1891 PolarHBondContact O-N 3.48Å |
| 1888 | L | 79.4 | Confident | 74.6 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.5 | -45.4 | 172.7 | -68.3 | 177.9 | 0 | 0 | 0 | 112.5 | F1835 E1884 L1891 H1892 L1906 F1910 | F1835-L1888 HydrophobicContact CD2-CD2 4Å; F1835-L1888 HydrophobicContact CD2-CG 4.35Å; F1835-L1888 HydrophobicContact CE2-CD2 3.95Å; F1835-L1888 HydrophobicContact CE2-CG 4.25Å; E1884-L1888 WeakPolarHBondContact O-CG 3.31Å; E1884-L1888 PolarHBondContact O-N 2.89Å; L1888-L1891 PolarHBondContact O-N 3.08Å; L1888-H1892 WeakPolarHBondContact O-CB 3.3Å; L1888-H1892 PolarHBondContact O-N 2.89Å; L1888-L1906 HydrophobicContact CD2-CD2 3.26Å; L1888-F1910 HydrophobicContact CD1-CD1 3.68Å; L1888-F1910 HydrophobicContact CD1-CD2 4.03Å; L1888-F1910 HydrophobicContact CD1-CE1 3.79Å; L1888-F1910 HydrophobicContact CD1-CE2 4.11Å; L1888-F1910 HydrophobicContact CD1-CG 3.83Å; L1888-F1910 HydrophobicContact CD1-CZ 4.02Å |
| 1889 | C | 75 | Confident | 74 | Confident | 11 Ų | 11 | 30.1 Ų | 30.1 | 7% | 0.074 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 175.4 | -69.8 | 0 | 0 | 0 | 0 | 112.3 | M1885 Q1886 F1887 H1892 D1893 | M1885-C1889 PolarHBondContact O-N 3.06Å; M1885-C1889 PolarHBondContact O-SG 3.42Å; Q1886-C1889 PolarHBondContact O-N 3.12Å; F1887-C1889 PolarHBondContact O-N 3.4Å; C1889-H1892 PolarHBondContact O-N 3.29Å; C1889-D1893 WeakPolarHBondContact O-CB 3.28Å; C1889-D1893 PolarHBondContact O-N 3.4Å |
| 1890 | L | 75.8 | Confident | 73.8 | Confident | 49 Ų | 49 | 30.9 Ų | 30.9 | 26% | 0.257 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67.7 | -39.6 | 178.2 | -75.2 | 166 | 0 | 0 | 0 | 112.3 | V1768 V1771 I1772 Q1886 F1887 D1893 N1894 | V1768-L1890 HydrophobicContact CG1-CD1 4.03Å; V1771-L1890 HydrophobicContact CG1-CB 4Å; I1772-L1890 HydrophobicContact CD1-CD1 4.35Å; I1772-L1890 HydrophobicContact CG1-CD1 4.16Å; I1772-L1890 HydrophobicContact CG1-CD2 4.42Å; Q1886-L1890 WeakPolarHBondContact O-CB 3.37Å; Q1886-L1890 VanDerWaalsContact O-CG 3.26Å; Q1886-L1890 WeakPolarHBondContact O-CG 3.4Å; Q1886-L1890 PolarHBondContact O-N 2.91Å; F1887-L1890 PolarHBondContact O-N 3.25Å; L1890-D1893 PolarHBondContact O-N 3.32Å; L1890-N1894 VanDerWaalsContact O-CB 3.29Å; L1890-N1894 WeakPolarHBondContact O-CB 3.47Å; L1890-N1894 PolarHBondContact O-N 2.88Å; L1890-N1894 PolarHBondContact O-ND2 2.9Å |
| 1891 | L | 74.6 | Confident | 73.3 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 172.9 | -73.1 | -179.8 | 0 | 0 | 0 | 111.3 | V1771 T1821 I1824 F1887 L1888 D1893 V1895 | V1771-L1891 HydrophobicContact CG1-CD2 4.27Å; V1771-L1891 HydrophobicContact CG2-CD2 3.97Å; T1821-L1891 HydrophobicContact CG2-CD2 4.1Å; I1824-L1891 HydrophobicContact CG2-CD2 4.2Å; F1887-L1891 HydrophobicContact CD1-CD1 3.99Å; F1887-L1891 HydrophobicContact CD1-CG 4.5Å; F1887-L1891 HydrophobicContact CE1-CD1 3.53Å; F1887-L1891 HydrophobicContact CE1-CG 4.27Å; F1887-L1891 HydrophobicContact CZ-CD1 3.87Å; F1887-L1891 HydrophobicContact CZ-CD2 4.47Å; F1887-L1891 HydrophobicContact CZ-CG 4.29Å; F1887-L1891 WeakPolarHBondContact O-CG 3.42Å; F1887-L1891 PolarHBondContact O-N 3.48Å; L1888-L1891 PolarHBondContact O-N 3.08Å; L1891-D1893 PolarHBondContact O-N 3.16Å; L1891-V1895 WeakPolarHBondContact O-CB 3.42Å; L1891-V1895 WeakPolarHBondContact O-CG2 3.5Å; L1891-V1895 PolarHBondContact O-N 3.49Å; L1891-V1895 VanDerWaalsContact O-N 3.16Å |
| 1892 | H | 75.5 | Confident | 72.8 | Confident | 20 Ų | 20 | 37.8 Ų | 37.8 | 9% | 0.093 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.3 | -51.5 | 174.7 | 174 | -81.9 | 0 | 0 | 0 | 111.4 | L1888 C1889 G1896 G1897 I1907 | L1888-H1892 WeakPolarHBondContact O-CB 3.3Å; L1888-H1892 PolarHBondContact O-N 2.89Å; C1889-H1892 PolarHBondContact O-N 3.29Å; H1892-G1896 PolarHBondContact O-N 3.04Å; H1892-G1897 VanDerWaalsContact NE2-CA 3.33Å; H1892-G1897 WeakPolarHBondContact NE2-CA 3.24Å; H1892-G1897 WeakPolarHBondContact O-CA 3.48Å; H1892-G1897 PolarHBondContact O-N 2.81Å; H1892-I1907 HydrophobicContact CB-CD1 4.01Å |
| 1893 | D | 71.3 | Confident | 72.6 | Confident | 62 Ų | 62 | 37.2 Ų | 37.2 | 33% | 0.332 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -72.9 | -36.5 | -172.2 | -64.2 | -11.9 | 0 | 0 | 0 | 112.7 | C1889 L1890 L1891 R1974 | C1889-D1893 WeakPolarHBondContact O-CB 3.28Å; C1889-D1893 PolarHBondContact O-N 3.4Å; L1890-D1893 PolarHBondContact O-N 3.32Å; L1891-D1893 PolarHBondContact O-N 3.16Å; D1893-R1974 VanDerWaalsContact CG-NE 3.33Å; D1893-R1974 IonicContact OD1-CZ 2.85Å; D1893-R1974 IonicContact OD1-NE 3.75Å; D1893-R1974 PolarHBondContact OD1-NE 3.05Å; D1893-R1974 IonicContact OD1-NH2 3.8Å; D1893-R1974 IonicContact OD2-CZ 3.84Å; D1893-R1974 VanDerWaalsContact OD2-CZ 3.29Å; D1893-R1974 IonicContact OD2-NE 2.62Å; D1893-R1974 PolarHBondContact OD2-NE 2.88Å; D1893-R1974 IonicContact OD2-NH2 3.27Å; D1893-R1974 PolarHBondContact OD2-NH2 3.23Å |
| 1894 | N | 68.5 | Low | 72.2 | Confident | 39 Ų | 39 | 39 Ų | 39 | 21% | 0.209 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70 | -34.8 | 177 | -85.2 | -27.9 | 0 | 0 | 0 | 113.3 | V1771 N1818 T1821 L1890 | V1771-N1894 VanDerWaalsContact CG1-ND2 3.32Å; V1771-N1894 WeakPolarHBondContact CG1-ND2 3.48Å; V1771-N1894 PolarHBondContact O-ND2 2.93Å; N1818-N1894 PolarHBondContact ND2-O 3.11Å; T1821-N1894 HydrophobicContact CG2-CB 4.17Å; L1890-N1894 VanDerWaalsContact O-CB 3.29Å; L1890-N1894 WeakPolarHBondContact O-CB 3.47Å; L1890-N1894 PolarHBondContact O-N 2.88Å; L1890-N1894 PolarHBondContact O-ND2 2.9Å |
| 1895 | V | 68.7 | Low | 71.9 | Confident | 23 Ų | 23 | 40.4 Ų | 40.4 | 14% | 0.139 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -94.8 | -2.6 | -170.5 | -176.3 | 0 | 0 | 0 | 0 | 112.7 | T1821 L1825 L1891 H1900 | T1821-V1895 HydrophobicContact CG2-CG2 4.48Å; L1825-V1895 HydrophobicContact CD1-CB 4.31Å; L1825-V1895 HydrophobicContact CD1-CG1 3.85Å; L1825-V1895 HydrophobicContact CD1-CG2 3.81Å; L1891-V1895 WeakPolarHBondContact O-CB 3.42Å; L1891-V1895 WeakPolarHBondContact O-CG2 3.5Å; L1891-V1895 PolarHBondContact O-N 3.49Å; L1891-V1895 VanDerWaalsContact O-N 3.16Å; V1895-H1900 HydrophobicContact CG1-CB 3.61Å |
| 1896 | G | 64.5 | Low | 71.9 | Confident | 53 Ų | 53 | 40.5 Ų | 40.5 | 55% | 0.546 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | 22.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | H1892 | H1892-G1896 PolarHBondContact O-N 3.04Š|
| 1897 | G | 66.7 | Low | 71.7 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 7% | 0.072 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 77 | -160.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | H1892 K1899 H1900 | H1892-G1897 VanDerWaalsContact NE2-CA 3.33Å; H1892-G1897 WeakPolarHBondContact NE2-CA 3.24Å; H1892-G1897 WeakPolarHBondContact O-CA 3.48Å; H1892-G1897 PolarHBondContact O-N 2.81Å; G1897-K1899 PolarHBondContact O-N 3.31Å; G1897-H1900 PolarHBondContact O-N 3.31Å |
| 1898 | M | 65.1 | Low | 71.4 | Confident | 42 Ų | 42 | 41 Ų | 41 | 21% | 0.207 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 9.1 | -176.5 | -58.8 | -62.7 | -105.5 | 0 | 0 | 115.9 | Y1904 I1907 I1975 A1978 | M1898-Y1904 HydrophobicContact CB-CD2 4.32Å; M1898-Y1904 HydrophobicContact CE-CD2 4.03Å; M1898-Y1904 HydrophobicContact CE-CE2 4.43Å; M1898-Y1904 HydrophobicContact SD-CD2 4.46Å; M1898-I1907 HydrophobicContact CE-CB 4.07Å; M1898-I1907 HydrophobicContact CE-CG2 3.74Å; M1898-I1907 HydrophobicContact SD-CB 4.06Å; M1898-I1907 HydrophobicContact SD-CD1 3.89Å; M1898-I1907 HydrophobicContact SD-CG2 4.06Å; M1898-I1975 HydrophobicContact CE-CG1 4.45Å; M1898-A1978 HydrophobicContact CB-CB 3.92Å; M1898-A1978 HydrophobicContact CG-CB 3.6Å |
| 1899 | K | 60.9 | Low | 71.4 | Confident | 177 Ų | 177 | 44 Ų | 44 | 77% | 0.77 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -16.3 | 175.1 | -66.8 | -178.1 | 178.3 | 178.8 | 0 | 113.5 | G1897 | G1897-K1899 PolarHBondContact O-N 3.31Š|
| 1900 | H | 67.9 | Low | 71.6 | Confident | 39 Ų | 39 | 43.7 Ų | 43.7 | 18% | 0.181 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -95.3 | 122.9 | 178.3 | -172.9 | -88.4 | 0 | 0 | 0 | 110.3 | H1822 V1895 G1897 L1902 A1903 Y1904 | H1822-H1900 AromaticContact CE1-CD2 3.74Å; H1822-H1900 AromaticContact CE1-NE2 3.46Å; H1822-H1900 PolarHBondContact CE1-NE2 2.59Å; H1822-H1900 AromaticContact ND1-CE1 3.98Å; H1822-H1900 AromaticContact ND1-NE2 3.29Å; H1822-H1900 PolarHBondContact ND1-NE2 3.19Å; V1895-H1900 HydrophobicContact CG1-CB 3.61Å; G1897-H1900 PolarHBondContact O-N 3.31Å; H1900-L1902 VanDerWaalsContact C-N 3.35Å; H1900-L1902 PolarHBondContact O-N 2.87Å; H1900-A1903 HydrophobicContact CB-CB 4.16Å; H1900-A1903 PolarHBondContact O-N 3.37Å; H1900-Y1904 WeakPolarHBondContact O-CB 3.49Å; H1900-Y1904 PolarHBondContact O-N 3.35Å |
| 1901 | P | 67 | Low | 71.6 | Confident | 91 Ų | 91 | 42.2 Ų | 42.2 | 59% | 0.591 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -60.2 | -40.4 | -167.7 | 21.8 | -33 | 0 | 0 | 0 | 113.3 | A1903 Y1904 S1905 | P1901-A1903 VanDerWaalsContact C-N 3.33Å; P1901-A1903 PolarHBondContact O-N 3.11Å; P1901-Y1904 PolarHBondContact O-N 3.41Å; P1901-S1905 PolarHBondContact O-N 3.44Å; P1901-S1905 PolarHBondContact O-OG 3.45Å |
| 1902 | L | 70.2 | Confident | 71.7 | Confident | 57 Ų | 57 | 48.1 Ų | 48.1 | 30% | 0.298 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -72.9 | -23.6 | 179.3 | -50.6 | -176.6 | 0 | 0 | 0 | 113.6 | L1825 H1900 S1905 L1906 | L1825-L1902 HydrophobicContact CB-CB 4.47Å; H1900-L1902 VanDerWaalsContact C-N 3.35Å; H1900-L1902 PolarHBondContact O-N 2.87Å; L1902-S1905 PolarHBondContact O-OG 3.39Å; L1902-L1906 VanDerWaalsContact O-CB 3.22Å; L1902-L1906 WeakPolarHBondContact O-CB 3.45Å; L1902-L1906 PolarHBondContact O-N 3.01Å |
| 1903 | A | 72.5 | Confident | 71.6 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -83.6 | -36.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | L1825 H1900 P1901 I1907 | L1825-A1903 HydrophobicContact CD1-CB 4.29Å; L1825-A1903 HydrophobicContact CD2-CB 4.3Å; H1900-A1903 HydrophobicContact CB-CB 4.16Å; H1900-A1903 PolarHBondContact O-N 3.37Å; P1901-A1903 VanDerWaalsContact C-N 3.33Å; P1901-A1903 PolarHBondContact O-N 3.11Å; A1903-I1907 WeakPolarHBondContact O-CB 3.46Å; A1903-I1907 VanDerWaalsContact O-CG1 3.28Å; A1903-I1907 WeakPolarHBondContact O-CG1 3.33Å; A1903-I1907 PolarHBondContact O-N 3.09Å |
| 1904 | Y | 71 | Confident | 71.9 | Confident | 61 Ų | 61 | 48.2 Ų | 48.2 | 24% | 0.239 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -50.2 | 172.1 | 170.1 | -88.8 | 0 | 0 | 0 | 111.9 | M1898 H1900 P1901 I1907 Q1908 P2016 | M1898-Y1904 HydrophobicContact CB-CD2 4.32Å; M1898-Y1904 HydrophobicContact CE-CD2 4.03Å; M1898-Y1904 HydrophobicContact CE-CE2 4.43Å; M1898-Y1904 HydrophobicContact SD-CD2 4.46Å; H1900-Y1904 WeakPolarHBondContact O-CB 3.49Å; H1900-Y1904 PolarHBondContact O-N 3.35Å; P1901-Y1904 PolarHBondContact O-N 3.41Å; Y1904-I1907 PolarHBondContact O-N 2.85Å; Y1904-Q1908 HydrophobicContact CE1-CB 4.49Å; Y1904-Q1908 VanDerWaalsContact O-CB 3.27Å; Y1904-Q1908 WeakPolarHBondContact O-CB 3.43Å; Y1904-Q1908 PolarHBondContact O-N 3.43Å; Y1904-Q1908 PolarHBondContact OH-OE1 3.48Å; Y1904-P2016 WeakPolarHBondContact OH-CD 3.47Å; Y1904-P2016 WeakPolarHBondContact OH-CG 3.19Å |
| 1905 | S | 75.3 | Confident | 72.2 | Confident | 31 Ų | 31 | 48.8 Ų | 48.8 | 22% | 0.217 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 179.2 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | P1901 L1902 I1907 Q1908 N1909 | P1901-S1905 PolarHBondContact O-N 3.44Å; P1901-S1905 PolarHBondContact O-OG 3.45Å; L1902-S1905 PolarHBondContact O-OG 3.39Å; S1905-I1907 PolarHBondContact O-N 3.44Å; S1905-Q1908 PolarHBondContact O-N 3.32Å; S1905-N1909 WeakPolarHBondContact O-CB 3.3Å; S1905-N1909 PolarHBondContact O-N 2.94Å; S1905-N1909 PolarHBondContact O-OD1 3.07Å |
| 1906 | L | 78.8 | Confident | 72.6 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 177.4 | -171.5 | 161.3 | 0 | 0 | 0 | 111.9 | L1825 H1828 I1831 L1888 L1902 F1910 | L1825-L1906 HydrophobicContact CD2-CD1 4.23Å; H1828-L1906 HydrophobicContact CB-CB 4.47Å; H1828-L1906 HydrophobicContact CB-CD1 3.9Å; I1831-L1906 HydrophobicContact CB-CD1 4.07Å; I1831-L1906 HydrophobicContact CD1-CD1 4.43Å; I1831-L1906 HydrophobicContact CG2-CD1 3.85Å; I1831-L1906 HydrophobicContact CG2-CG 4.44Å; L1888-L1906 HydrophobicContact CD2-CD2 3.26Å; L1902-L1906 VanDerWaalsContact O-CB 3.22Å; L1902-L1906 WeakPolarHBondContact O-CB 3.45Å; L1902-L1906 PolarHBondContact O-N 3.01Å; L1906-F1910 WeakPolarHBondContact O-CB 3.46Å; L1906-F1910 PolarHBondContact O-N 2.98Å; L1906-F1910 VanDerWaalsContact O-N 3.08Å |
| 1907 | I | 76.5 | Confident | 73.3 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.5 | -35.4 | 179.2 | -65 | 168.1 | 0 | 0 | 0 | 111.5 | H1892 M1898 A1903 Y1904 S1905 C1911 L1971 I1975 | H1892-I1907 HydrophobicContact CB-CD1 4.01Å; M1898-I1907 HydrophobicContact CE-CB 4.07Å; M1898-I1907 HydrophobicContact CE-CG2 3.74Å; M1898-I1907 HydrophobicContact SD-CB 4.06Å; M1898-I1907 HydrophobicContact SD-CD1 3.89Å; M1898-I1907 HydrophobicContact SD-CG2 4.06Å; A1903-I1907 WeakPolarHBondContact O-CB 3.46Å; A1903-I1907 VanDerWaalsContact O-CG1 3.28Å; A1903-I1907 WeakPolarHBondContact O-CG1 3.33Å; A1903-I1907 PolarHBondContact O-N 3.09Å; Y1904-I1907 PolarHBondContact O-N 2.85Å; S1905-I1907 PolarHBondContact O-N 3.44Å; I1907-C1911 WeakPolarHBondContact O-CB 3.41Å; I1907-C1911 PolarHBondContact O-N 3.43Å; I1907-C1911 VanDerWaalsContact O-N 3.09Å; I1907-C1911 PolarHBondContact O-SG 2.95Å; I1907-L1971 HydrophobicContact CG2-CD1 4.47Å; I1907-I1975 HydrophobicContact CG2-CD1 4.03Å; I1907-I1975 HydrophobicContact CG2-CG1 4.13Å |
| 1908 | Q | 74.9 | Confident | 73.8 | Confident | 80 Ų | 80 | 48.6 Ų | 48.6 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.6 | -53.9 | 175.8 | -177.1 | -176.1 | -8.7 | 0 | 0 | 110.8 | Y1904 S1905 F1910 C1911 M1912 | Y1904-Q1908 HydrophobicContact CE1-CB 4.49Å; Y1904-Q1908 VanDerWaalsContact O-CB 3.27Å; Y1904-Q1908 WeakPolarHBondContact O-CB 3.43Å; Y1904-Q1908 PolarHBondContact O-N 3.43Å; Y1904-Q1908 PolarHBondContact OH-OE1 3.48Å; S1905-Q1908 PolarHBondContact O-N 3.32Å; Q1908-F1910 PolarHBondContact O-N 3.23Å; Q1908-C1911 PolarHBondContact O-N 3.08Å; Q1908-C1911 VanDerWaalsContact O-N 3.17Å; Q1908-M1912 HydrophobicContact CG-CG 4.35Å; Q1908-M1912 WeakPolarHBondContact O-CG 3.32Å; Q1908-M1912 PolarHBondContact O-N 3.13Å |
| 1909 | N | 78 | Confident | 74.3 | Confident | 65 Ų | 65 | 51.1 Ų | 51.1 | 35% | 0.348 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.9 | -52.4 | -179.9 | -66.9 | 6.3 | 0 | 0 | 0 | 109.6 | S1905 C1911 M1912 D1913 | S1905-N1909 WeakPolarHBondContact O-CB 3.3Å; S1905-N1909 PolarHBondContact O-N 2.94Å; S1905-N1909 PolarHBondContact O-OD1 3.07Å; N1909-C1911 PolarHBondContact O-N 2.99Å; N1909-C1911 VanDerWaalsContact O-N 3.11Å; N1909-M1912 PolarHBondContact O-N 3.13Å; N1909-D1913 WeakPolarHBondContact O-CB 3.4Å; N1909-D1913 PolarHBondContact O-N 3.02Å; N1909-D1913 VanDerWaalsContact O-OD2 3.08Å |
| 1910 | F | 80.1 | Confident | 75.1 | Confident | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.022 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -52.1 | -39.5 | 177.2 | 178.4 | -91.4 | 0 | 0 | 0 | 113.9 | F1835 W1837 M1885 L1888 L1906 Q1908 N1914 L1918 L1971 | F1835-F1910 HydrophobicContact CB-CD2 3.72Å; F1835-F1910 HydrophobicContact CB-CE2 3.9Å; F1835-F1910 WeakPolarHBondContact O-CD2 3.29Å; F1835-F1910 WeakPolarHBondContact O-CE2 3.45Å; W1837-F1910 AromaticContact CH2-CZ 3.99Å; W1837-F1910 HydrophobicContact CH2-CZ 3.99Å; W1837-F1910 HydrophobicContact CZ2-CE2 4.14Å; W1837-F1910 AromaticContact CZ2-CZ 3.66Å; W1837-F1910 HydrophobicContact CZ2-CZ 3.66Å; M1885-F1910 HydrophobicContact CE-CE1 3.61Å; M1885-F1910 HydrophobicContact CE-CZ 3.5Å; M1885-F1910 VanDerWaalsContact CE-CZ 3.5Å; M1885-F1910 HydrophobicContact SD-CE1 4.31Å; M1885-F1910 HydrophobicContact SD-CZ 4.49Å; L1888-F1910 HydrophobicContact CD1-CD1 3.68Å; L1888-F1910 HydrophobicContact CD1-CD2 4.03Å; L1888-F1910 HydrophobicContact CD1-CE1 3.79Å; L1888-F1910 HydrophobicContact CD1-CE2 4.11Å; L1888-F1910 HydrophobicContact CD1-CG 3.83Å; L1888-F1910 HydrophobicContact CD1-CZ 4.02Å; L1906-F1910 WeakPolarHBondContact O-CB 3.46Å; L1906-F1910 PolarHBondContact O-N 2.98Å; L1906-F1910 VanDerWaalsContact O-N 3.08Å; Q1908-F1910 PolarHBondContact O-N 3.23Å; F1910-N1914 VanDerWaalsContact CD2-ND2 3.28Å; F1910-N1914 WeakPolarHBondContact CD2-ND2 3.25Å; F1910-N1914 WeakPolarHBondContact CE2-ND2 3.43Å; F1910-N1914 WeakPolarHBondContact O-CB 3.37Å; F1910-N1914 PolarHBondContact O-N 3.44Å; F1910-N1914 PolarHBondContact O-ND2 2.93Å; F1910-N1914 VanDerWaalsContact O-ND2 3.1Å; F1910-L1918 HydrophobicContact CE1-CD1 4.49Å; F1910-L1918 HydrophobicContact CE1-CD2 4.39Å; F1910-L1971 HydrophobicContact CD1-CD2 4.15Å; F1910-L1971 HydrophobicContact CE1-CD2 3.92Å |
| 1911 | C | 74.7 | Confident | 75.5 | Confident | 18 Ų | 18 | 42.2 Ų | 42.2 | 12% | 0.122 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -77.6 | -26.5 | 178.3 | -66.3 | 0 | 0 | 0 | 0 | 113.9 | I1907 Q1908 N1909 I1975 | I1907-C1911 WeakPolarHBondContact O-CB 3.41Å; I1907-C1911 PolarHBondContact O-N 3.43Å; I1907-C1911 VanDerWaalsContact O-N 3.09Å; I1907-C1911 PolarHBondContact O-SG 2.95Å; Q1908-C1911 PolarHBondContact O-N 3.08Å; Q1908-C1911 VanDerWaalsContact O-N 3.17Å; N1909-C1911 PolarHBondContact O-N 2.99Å; N1909-C1911 VanDerWaalsContact O-N 3.11Å; C1911-I1975 VanDerWaalsContact SG-CD1 3.59Å |
| 1912 | M | 76.9 | Confident | 75.9 | Confident | 128 Ų | 128 | 37.9 Ų | 37.9 | 63% | 0.631 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -79.9 | -49.8 | 177 | -71 | -61.9 | -55.1 | 0 | 0 | 111.3 | Q1908 N1909 N1914 A1915 | Q1908-M1912 HydrophobicContact CG-CG 4.35Å; Q1908-M1912 WeakPolarHBondContact O-CG 3.32Å; Q1908-M1912 PolarHBondContact O-N 3.13Å; N1909-M1912 PolarHBondContact O-N 3.13Å; M1912-N1914 VanDerWaalsContact C-N 3.31Å; M1912-N1914 PolarHBondContact O-N 2.7Å; M1912-A1915 WeakPolarHBondContact O-CB 3.38Å; M1912-A1915 PolarHBondContact O-N 3.11Å |
| 1913 | D | 74.6 | Confident | 76.1 | Confident | 85 Ų | 85 | 37.7 Ų | 37.7 | 46% | 0.455 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.7 | -33.4 | -173.7 | -58.3 | -33.2 | 0 | 0 | 0 | 111.6 | N1909 | N1909-D1913 WeakPolarHBondContact O-CB 3.4Å; N1909-D1913 PolarHBondContact O-N 3.02Å; N1909-D1913 VanDerWaalsContact O-OD2 3.08Å |
| 1914 | N | 77.9 | Confident | 76.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 13.1 | 178.8 | -61.4 | -58.4 | 0 | 0 | 0 | 114.2 | F1835 W1837 F1910 M1912 S1916 Q1917 L1918 | F1835-N1914 PolarHBondContact O-ND2 2.97Å; W1837-N1914 VanDerWaalsContact CB-OD1 3.24Å; W1837-N1914 WeakPolarHBondContact CB-OD1 3.41Å; W1837-N1914 HydrophobicContact CD2-CB 4.27Å; W1837-N1914 HydrophobicContact CE3-CB 3.68Å; W1837-N1914 HydrophobicContact CZ3-CB 4.06Å; W1837-N1914 PolarHBondContact N-OD1 2.74Å; F1910-N1914 VanDerWaalsContact CD2-ND2 3.28Å; F1910-N1914 WeakPolarHBondContact CD2-ND2 3.25Å; F1910-N1914 WeakPolarHBondContact CE2-ND2 3.43Å; F1910-N1914 WeakPolarHBondContact O-CB 3.37Å; F1910-N1914 PolarHBondContact O-N 3.44Å; F1910-N1914 PolarHBondContact O-ND2 2.93Å; F1910-N1914 VanDerWaalsContact O-ND2 3.1Å; M1912-N1914 VanDerWaalsContact C-N 3.31Å; M1912-N1914 PolarHBondContact O-N 2.7Å; N1914-S1916 PolarHBondContact O-N 3.18Å; N1914-Q1917 VanDerWaalsContact C-OE1 3.29Å; N1914-Q1917 WeakPolarHBondContact O-CB 3.25Å; N1914-Q1917 PolarHBondContact O-N 3.1Å; N1914-Q1917 VanDerWaalsContact O-N 3.1Å; N1914-Q1917 PolarHBondContact O-OE1 3.13Å; N1914-L1918 HydrophobicContact CB-CD1 4.2Å; N1914-L1918 HydrophobicContact CB-CG 4.17Å; N1914-L1918 VanDerWaalsContact O-CG 3.32Å; N1914-L1918 WeakPolarHBondContact O-CG 3.47Å; N1914-L1918 PolarHBondContact O-N 3.37Å |
| 1915 | A | 74.4 | Confident | 76.5 | Confident | 50 Ų | 50 | 35.1 Ų | 35.1 | 41% | 0.413 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -54.1 | -45 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114 | M1912 E1919 | M1912-A1915 WeakPolarHBondContact O-CB 3.38Å; M1912-A1915 PolarHBondContact O-N 3.11Å; A1915-E1919 PolarHBondContact O-N 3.2Å |
| 1916 | S | 75.9 | Confident | 76.4 | Confident | 63 Ų | 63 | 33.9 Ų | 33.9 | 44% | 0.441 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -70.3 | -35 | -179.2 | 77.3 | 0 | 0 | 0 | 0 | 112.9 | N1914 F1920 | N1914-S1916 PolarHBondContact O-N 3.18Å; S1916-F1920 PolarHBondContact O-N 3.47Å |
| 1917 | Q | 80.2 | Confident | 75.9 | Confident | 15 Ų | 15 | 36.2 Ų | 36.2 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70 | -42.8 | 178.6 | -60.8 | 89.7 | -45.4 | 0 | 0 | 109.9 | W1837 P1838 L1840 L1843 N1914 F1920 L1921 | W1837-Q1917 HydrophobicContact CE3-CB 3.66Å; W1837-Q1917 HydrophobicContact CE3-CG 4.37Å; W1837-Q1917 HydrophobicContact CZ3-CB 4.02Å; P1838-Q1917 PolarHBondContact O-NE2 2.86Å; L1840-Q1917 HydrophobicContact CD1-CG 4.49Å; L1843-Q1917 HydrophobicContact CD2-CB 3.95Å; L1843-Q1917 HydrophobicContact CD2-CG 3.94Å; N1914-Q1917 VanDerWaalsContact C-OE1 3.29Å; N1914-Q1917 WeakPolarHBondContact O-CB 3.25Å; N1914-Q1917 PolarHBondContact O-N 3.1Å; N1914-Q1917 VanDerWaalsContact O-N 3.1Å; N1914-Q1917 PolarHBondContact O-OE1 3.13Å; Q1917-F1920 PolarHBondContact O-N 3.1Å; Q1917-L1921 WeakPolarHBondContact O-CB 3.34Å; Q1917-L1921 WeakPolarHBondContact O-CD1 3.35Å; Q1917-L1921 WeakPolarHBondContact O-CG 3.29Å; Q1917-L1921 PolarHBondContact O-N 3.2Å |
| 1918 | L | 77.5 | Confident | 75.2 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 176.6 | -68.2 | 168.2 | 0 | 0 | 0 | 112.4 | W1837 M1885 F1910 N1914 F1920 L1921 V1922 I1968 Y1972 | W1837-L1918 HydrophobicContact CH2-CD2 3.67Å; W1837-L1918 HydrophobicContact CH2-CG 4.5Å; W1837-L1918 HydrophobicContact CZ3-CD2 3.67Å; W1837-L1918 HydrophobicContact CZ3-CG 4.03Å; M1885-L1918 HydrophobicContact CE-CD2 3.6Å; F1910-L1918 HydrophobicContact CE1-CD1 4.49Å; F1910-L1918 HydrophobicContact CE1-CD2 4.39Å; N1914-L1918 HydrophobicContact CB-CD1 4.2Å; N1914-L1918 HydrophobicContact CB-CG 4.17Å; N1914-L1918 VanDerWaalsContact O-CG 3.32Å; N1914-L1918 WeakPolarHBondContact O-CG 3.47Å; N1914-L1918 PolarHBondContact O-N 3.37Å; L1918-F1920 PolarHBondContact O-N 3.42Å; L1918-L1921 PolarHBondContact O-N 3.08Å; L1918-V1922 WeakPolarHBondContact O-CG2 3.28Å; L1918-V1922 PolarHBondContact O-N 3.25Å; L1918-I1968 HydrophobicContact CD2-CD1 4.01Å; L1918-I1968 HydrophobicContact CD2-CG1 4.13Å; L1918-I1968 HydrophobicContact CD2-CG2 4.18Å; L1918-Y1972 WeakPolarHBondContact CB-OH 3.32Å |
| 1919 | E | 75 | Confident | 74.7 | Confident | 96 Ų | 96 | 35.5 Ų | 35.5 | 45% | 0.449 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 176.8 | 178.2 | 169 | -159.7 | 0 | 0 | 112.1 | A1915 N1923 L2029 | A1915-E1919 PolarHBondContact O-N 3.2Å; E1919-N1923 PolarHBondContact O-N 3.35Å; E1919-N1923 PolarHBondContact O-ND2 3.25Å; E1919-N1923 VanDerWaalsContact O-ND2 3.07Å; E1919-L2029 HydrophobicContact CG-CD1 4.48Å |
| 1920 | F | 78.5 | Confident | 73.8 | Confident | 28 Ų | 28 | 36.5 Ų | 36.5 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -47.5 | 174 | 168.8 | -113 | 0 | 0 | 0 | 111.9 | L1840 R1844 S1916 Q1917 L1918 V1922 N1923 Y1924 | L1840-F1920 HydrophobicContact CD1-CB 3.58Å; L1840-F1920 HydrophobicContact CD1-CD1 3.8Å; L1840-F1920 HydrophobicContact CD1-CG 3.8Å; R1844-F1920 HydrophobicContact CB-CE1 4.17Å; R1844-F1920 HydrophobicContact CB-CZ 4.27Å; R1844-F1920 HydrophobicContact CG-CE1 4.43Å; R1844-F1920 HydrophobicContact CG-CZ 4.05Å; S1916-F1920 PolarHBondContact O-N 3.47Å; Q1917-F1920 PolarHBondContact O-N 3.1Å; L1918-F1920 PolarHBondContact O-N 3.42Å; F1920-V1922 PolarHBondContact O-N 2.75Å; F1920-N1923 CarbonylContact O-C 3.57Å; F1920-N1923 PolarHBondContact O-N 3.39Å; F1920-N1923 VanDerWaalsContact O-N 3.08Å; F1920-Y1924 HydrophobicContact CE1-CD2 4.25Å; F1920-Y1924 HydrophobicContact CE1-CG 4.37Å; F1920-Y1924 AromaticContact CE2-CD2 3.94Å; F1920-Y1924 HydrophobicContact CE2-CD2 3.94Å; F1920-Y1924 AromaticContact CZ-CD2 3.49Å; F1920-Y1924 HydrophobicContact CZ-CD2 3.49Å; F1920-Y1924 VanDerWaalsContact CZ-CD2 3.49Å; F1920-Y1924 AromaticContact CZ-CE2 3.93Å; F1920-Y1924 HydrophobicContact CZ-CE2 3.93Å; F1920-Y1924 HydrophobicContact CZ-CG 4.01Å; F1920-Y1924 WeakPolarHBondContact O-CB 3.5Å; F1920-Y1924 PolarHBondContact O-N 3.3Å |
| 1921 | L | 75.6 | Confident | 72.5 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64 | -37.3 | -176.4 | -74.7 | 167.8 | 0 | 0 | 0 | 113.1 | W1837 L1843 L1847 Q1917 L1918 N1923 Y1924 L1964 I1968 | W1837-L1921 HydrophobicContact CE3-CD1 4.27Å; W1837-L1921 HydrophobicContact CH2-CD1 3.77Å; W1837-L1921 HydrophobicContact CZ3-CD1 3.46Å; W1837-L1921 VanDerWaalsContact CZ3-CD1 3.46Å; L1843-L1921 HydrophobicContact CD2-CD1 4.4Å; L1847-L1921 HydrophobicContact CD1-CD2 3.66Å; Q1917-L1921 WeakPolarHBondContact O-CB 3.34Å; Q1917-L1921 WeakPolarHBondContact O-CD1 3.35Å; Q1917-L1921 WeakPolarHBondContact O-CG 3.29Å; Q1917-L1921 PolarHBondContact O-N 3.2Å; L1918-L1921 PolarHBondContact O-N 3.08Å; L1921-N1923 VanDerWaalsContact C-N 3.31Å; L1921-N1923 PolarHBondContact O-N 3.43Å; L1921-Y1924 PolarHBondContact O-N 2.94Å; L1921-L1964 HydrophobicContact CB-CD2 3.72Å; L1921-L1964 HydrophobicContact CD1-CD2 4.18Å; L1921-L1964 HydrophobicContact CD2-CD1 4.31Å; L1921-L1964 HydrophobicContact CD2-CD2 3.89Å; L1921-L1964 HydrophobicContact CG-CD2 4.14Å; L1921-I1968 HydrophobicContact CB-CD1 3.57Å; L1921-I1968 HydrophobicContact CD1-CD1 4.3Å |
| 1922 | V | 74.8 | Confident | 71 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.8 | -32.4 | 173.5 | 175 | 0 | 0 | 0 | 0 | 111.7 | L1918 F1920 W1925 I1968 Y1972 L2029 Q2033 | L1918-V1922 WeakPolarHBondContact O-CG2 3.28Å; L1918-V1922 PolarHBondContact O-N 3.25Å; F1920-V1922 PolarHBondContact O-N 2.75Å; V1922-W1925 VanDerWaalsContact O-CD1 3.25Å; V1922-W1925 PolarHBondContact O-NE1 3.4Å; V1922-I1968 HydrophobicContact CG2-CB 3.8Å; V1922-I1968 HydrophobicContact CG2-CD1 3.93Å; V1922-I1968 HydrophobicContact CG2-CG1 4.48Å; V1922-I1968 HydrophobicContact CG2-CG2 3.46Å; V1922-I1968 VanDerWaalsContact CG2-CG2 3.46Å; V1922-Y1972 HydrophobicContact CG2-CE2 4.37Å; V1922-L2029 HydrophobicContact CG1-CD2 4.14Å; V1922-Q2033 HydrophobicContact CG1-CG 4.32Å; V1922-Q2033 PolarHBondContact O-NE2 2.99Å; V1922-Q2033 PolarHBondContact O-OE1 3.04Å |
| 1923 | N | 74.8 | Confident | 69.1 | Low | 52 Ų | 52 | 50.4 Ų | 50.4 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -84 | -17.7 | 174.4 | -75.6 | -48.8 | 0 | 0 | 0 | 114.2 | E1919 F1920 L1921 W1925 C1926 S1927 L2029 | E1919-N1923 PolarHBondContact O-N 3.35Å; E1919-N1923 PolarHBondContact O-ND2 3.25Å; E1919-N1923 VanDerWaalsContact O-ND2 3.07Å; F1920-N1923 CarbonylContact O-C 3.57Å; F1920-N1923 PolarHBondContact O-N 3.39Å; F1920-N1923 VanDerWaalsContact O-N 3.08Å; L1921-N1923 VanDerWaalsContact C-N 3.31Å; L1921-N1923 PolarHBondContact O-N 3.43Å; N1923-W1925 VanDerWaalsContact C-N 3.31Å; N1923-W1925 PolarHBondContact O-N 2.97Å; N1923-C1926 PolarHBondContact O-N 3.23Å; N1923-S1927 PolarHBondContact O-N 3.23Å; N1923-L2029 WeakPolarHBondContact ND2-CD2 3.29Å; N1923-L2029 WeakPolarHBondContact OD1-CD2 3.5Å |
| 1924 | Y | 76.4 | Confident | 67.3 | Low | 9 Ų | 9 | 52.2 Ų | 52.2 | 4% | 0.035 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.4 | -35.2 | -167.7 | -176.8 | -136 | 0 | 0 | 0 | 113.2 | L1847 E1851 F1920 L1921 S1927 R1961 | L1847-Y1924 HydrophobicContact CB-CE1 4.38Å; E1851-Y1924 PolarHBondContact OE2-OH 3.1Å; F1920-Y1924 HydrophobicContact CE1-CD2 4.25Å; F1920-Y1924 HydrophobicContact CE1-CG 4.37Å; F1920-Y1924 AromaticContact CE2-CD2 3.94Å; F1920-Y1924 HydrophobicContact CE2-CD2 3.94Å; F1920-Y1924 AromaticContact CZ-CD2 3.49Å; F1920-Y1924 HydrophobicContact CZ-CD2 3.49Å; F1920-Y1924 VanDerWaalsContact CZ-CD2 3.49Å; F1920-Y1924 AromaticContact CZ-CE2 3.93Å; F1920-Y1924 HydrophobicContact CZ-CE2 3.93Å; F1920-Y1924 HydrophobicContact CZ-CG 4.01Å; F1920-Y1924 WeakPolarHBondContact O-CB 3.5Å; F1920-Y1924 PolarHBondContact O-N 3.3Å; L1921-Y1924 PolarHBondContact O-N 2.94Å; Y1924-S1927 WeakPolarHBondContact O-CB 3.41Å; Y1924-S1927 PolarHBondContact O-N 2.9Å; Y1924-S1927 PolarHBondContact O-OG 2.95Å; Y1924-R1961 HydrophobicContact CD1-CG 3.68Å; Y1924-R1961 HydrophobicContact CE1-CG 3.7Å; Y1924-R1961 PolarHBondContact OH-NH2 3.36Å |
| 1925 | W | 76.8 | Confident | 65.2 | Low | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -28.9 | 174.9 | 81.5 | -88.6 | 0 | 0 | 0 | 113.5 | V1922 N1923 L1957 R1961 I1962 A1965 C2036 L2040 L2118 H2121 | V1922-W1925 VanDerWaalsContact O-CD1 3.25Å; V1922-W1925 PolarHBondContact O-NE1 3.4Å; N1923-W1925 VanDerWaalsContact C-N 3.31Å; N1923-W1925 PolarHBondContact O-N 2.97Å; W1925-L1957 HydrophobicContact CE3-CD2 4.1Å; W1925-L1957 WeakPolarHBondContact O-CD2 3.16Å; W1925-R1961 HydrophobicContact CB-CB 3.76Å; W1925-I1962 HydrophobicContact CB-CG1 4.46Å; W1925-I1962 HydrophobicContact CE3-CG1 4.4Å; W1925-A1965 HydrophobicContact CG-CB 4.45Å; W1925-C2036 HydrophobicContact CH2-CB 3.87Å; W1925-C2036 HydrophobicContact CZ2-CB 4.37Å; W1925-C2036 HydrophobicContact CZ3-CB 4.49Å; W1925-L2040 HydrophobicContact CH2-CD1 4.36Å; W1925-L2040 HydrophobicContact CZ3-CD1 3.8Å; W1925-L2118 HydrophobicContact CH2-CD1 4Å; W1925-L2118 HydrophobicContact CZ3-CD1 3.86Å; W1925-H2121 AromaticContact CZ2-CD2 3.66Å; W1925-H2121 AromaticContact NE1-NE2 3.43Å; W1925-H2121 PolarHBondContact NE1-NE2 3.35Å |
| 1926 | C | 71.8 | Confident | 63.3 | Low | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.034 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -16.3 | 175 | -66.3 | 0 | 0 | 0 | 0 | 113.7 | N1923 S1928 L1929 C2036 | N1923-C1926 PolarHBondContact O-N 3.23Å; C1926-S1928 PolarHBondContact O-N 2.91Å; C1926-S1928 VanDerWaalsContact O-N 3.08Å; C1926-L1929 WeakPolarHBondContact O-CB 3.44Å; C1926-L1929 PolarHBondContact O-N 3.46Å; C1926-C2036 PolarHBondContact SG-SG 3.04Å |
| 1927 | S | 69.2 | Low | 61.2 | Low | 54 Ų | 54 | 66.3 Ų | 66.3 | 38% | 0.378 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -22.5 | -169.6 | 67 | 0 | 0 | 0 | 0 | 115.1 | N1923 Y1924 | N1923-S1927 PolarHBondContact O-N 3.23Å; Y1924-S1927 WeakPolarHBondContact O-CB 3.41Å; Y1924-S1927 PolarHBondContact O-N 2.9Å; Y1924-S1927 PolarHBondContact O-OG 2.95Å |
| 1928 | S | 62 | Low | 58.8 | Low | 38 Ų | 38 | 73.5 Ų | 73.5 | 27% | 0.266 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -14.7 | 175.2 | 51.1 | 0 | 0 | 0 | 0 | 113.9 | C1926 L1956 | C1926-S1928 PolarHBondContact O-N 2.91Å; C1926-S1928 VanDerWaalsContact O-N 3.08Å; S1928-L1956 PolarHBondContact OG-O 3Å |
| 1929 | L | 63.1 | Low | 56.7 | Low | 31 Ų | 31 | 82.3 Ų | 82.3 | 16% | 0.162 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -28.2 | 179.3 | -60.1 | 175.5 | 0 | 0 | 0 | 112.5 | C1926 L1951 C2036 L2040 | C1926-L1929 WeakPolarHBondContact O-CB 3.44Å; C1926-L1929 PolarHBondContact O-N 3.46Å; L1929-L1951 HydrophobicContact CD2-CD1 4.11Å; L1929-C2036 HydrophobicContact CD1-CB 4.35Å; L1929-L2040 HydrophobicContact CD1-CD1 4.3Å; L1929-L2040 HydrophobicContact CD1-CD2 4.48Å; L1929-L2040 HydrophobicContact CD2-CD2 4.46Å |
| 1930 | Y | 59.7 | Low | 54.7 | Low | 87 Ų | 87 | 85.8 Ų | 85.8 | 34% | 0.341 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -114.2 | 93 | 175.8 | -63.7 | -75.2 | 0 | 0 | 0 | 109.4 | N1932 H2035 | Y1930-N1932 PolarHBondContact O-N 2.96Å; Y1930-H2035 PolarHBondContact OH-CE1 2.86Å; Y1930-H2035 PolarHBondContact OH-ND1 2.88Å |
| 1931 | N | 53.7 | Low | 52.4 | Low | 139 Ų | 139 | 92.7 Ų | 92.7 | 74% | 0.743 | 50% | 0.495 | S | S | * | . | trans | -68.8 | 97 | -167.1 | -145.2 | 8.2 | 0 | 0 | 0 | 111.8 | N1933 | N1931-N1933 VanDerWaalsContact C-N 3.31Å; N1931-N1933 PolarHBondContact O-N 3.35Å | ||
| 1932 | N | 41.6 | Very low | 50.7 | Low | 149 Ų | 149 | 101.3 Ų | 101.3 | 80% | 0.797 | 54% | 0.538 | S | S | * | . | trans | -82.6 | 4.7 | -169.4 | -103.3 | -9.3 | 0 | 0 | 0 | 115.5 | Y1930 | Y1930-N1932 PolarHBondContact O-N 2.96Š| ||
| 1933 | N | 37.6 | Very low | 49.2 | Very low | 155 Ų | 155 | 105.8 Ų | 105.8 | 83% | 0.829 | 57% | 0.569 | S | S | * | * | trans | -110.1 | 41.4 | -173.3 | -80.5 | 6.9 | 0 | 0 | 0 | 114.4 | N1931 | N1931-N1933 VanDerWaalsContact C-N 3.31Å; N1931-N1933 PolarHBondContact O-N 3.35Å | ||
| 1934 | T | 37.3 | Very low | 48 | Very low | 123 Ų | 123 | 109.4 Ų | 109.4 | 76% | 0.755 | 60% | 0.596 | S | S | * | * | trans | -141.4 | 128.9 | 159.7 | 46.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1935 | S | 33 | Very low | 47 | Very low | 110 Ų | 110 | 113 Ų | 113 | 77% | 0.769 | 62% | 0.615 | S | S | * | * | trans | -71.7 | 145.6 | 176.2 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1936 | I | 34.4 | Very low | 46 | Very low | 149 Ų | 149 | 115.5 Ų | 115.5 | 76% | 0.764 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 31.2 | 117.2 | 141.9 | -54.7 | 174.7 | 0 | 0 | 0 | 116.9 | ||
| 1937 | N | 31.3 | Very low | 45.4 | Very low | 150 Ų | 150 | 119.4 Ų | 119.4 | 80% | 0.802 | 65% | 0.651 | S | S | * | * | trans | 70 | 83.4 | 168.4 | -59.1 | -14.7 | 0 | 0 | 0 | 117.5 | ||||
| 1938 | D | 30.6 | Very low | 44.9 | Very low | 166 Ų | 166 | 117.1 Ų | 117.1 | 89% | 0.888 | 64% | 0.635 | S | S | * | * | -160.1 | 137.1 | 120.2 | -114.9 | -30.6 | 0 | 0 | 0 | 111.7 | |||||
| 1939 | Q | 33.9 | Very low | 44.7 | Very low | 186 Ų | 186 | 116.7 Ų | 116.7 | 87% | 0.869 | 63% | 0.632 | S | S | * | * | trans | -103.5 | 5.1 | -171.7 | -85.3 | -168.9 | -14.5 | 0 | 0 | 115.4 | ||||
| 1940 | H | 32.3 | Very low | 44.5 | Very low | 168 Ų | 168 | 117.3 Ų | 117.3 | 78% | 0.778 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -134.7 | 74.1 | -171 | -69.9 | -51.1 | 0 | 0 | 0 | 114.4 | ||
| 1941 | L | 30 | Very low | 44.6 | Very low | 173 Ų | 173 | 113.7 Ų | 113.7 | 91% | 0.906 | 62% | 0.623 | S | S | * | * | trans | 177 | 71 | 143.6 | -97.9 | 158.3 | 0 | 0 | 0 | 112 | S1943 | L1941-S1943 PolarHBondContact O-N 2.77Š| ||
| 1942 | M | 40.4 | Very low | 45 | Very low | 183 Ų | 183 | 108 Ų | 108 | 90% | 0.901 | 59% | 0.593 | S | S | * | * | trans | -75 | 109.8 | 165.8 | -81.8 | -68.5 | 164.5 | 0 | 0 | 109.8 | ||||
| 1943 | S | 44.1 | Very low | 45.7 | Very low | 93 Ų | 93 | 106.7 Ų | 106.7 | 65% | 0.65 | 58% | 0.582 | S | S | * | * | trans | -68.9 | 149.5 | 176.1 | 56.8 | 0 | 0 | 0 | 0 | 111.1 | L1941 L1945 | L1941-S1943 PolarHBondContact O-N 2.77Å; S1943-L1945 PolarHBondContact O-N 3.31Å | ||
| 1944 | P | 48.3 | Very low | 46.6 | Very low | 129 Ų | 129 | 105 Ų | 105 | 84% | 0.838 | 57% | 0.569 | S | S | * | * | trans | -68.7 | 105.3 | 177.6 | 27.5 | -33.4 | 0 | 0 | 0 | 110.2 | ||||
| 1945 | L | 55 | Low | 47.6 | Very low | 83 Ų | 83 | 100.7 Ų | 100.7 | 44% | 0.435 | 55% | 0.549 | S | S | . | . | trans | -45.2 | 134.9 | 172.8 | -79.1 | 151.4 | 0 | 0 | 0 | 111.4 | S1943 | S1943-L1945 PolarHBondContact O-N 3.31Š| ||
| 1946 | P | 56 | Low | 48.8 | Very low | 55 Ų | 55 | 99 Ų | 99 | 36% | 0.357 | 53% | 0.531 | S | S | . | . | trans | -68 | 169.8 | -174 | 27.3 | -34.2 | 0 | 0 | 0 | 113.3 | V1950 L1951 | P1946-V1950 HydrophobicContact CB-CB 4.28Å; P1946-V1950 HydrophobicContact CB-CG1 4.25Å; P1946-L1951 HydrophobicContact CG-CD2 3.74Å; P1946-L1951 HydrophobicContact CG-CG 4.06Å | ||
| 1947 | I | 58.9 | Low | 50.3 | Low | 87 Ų | 87 | 92.4 Ų | 92.4 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | trans | -60.6 | 142.6 | -179.8 | -54.6 | 174.4 | 0 | 0 | 0 | 109.6 | S1949 V1950 L1951 | I1947-S1949 WeakPolarHBondContact CG2-OG 3.44Å; I1947-S1949 PolarHBondContact O-N 2.86Å; I1947-S1949 VanDerWaalsContact O-N 3.08Å; I1947-V1950 HydrophobicContact CB-CG2 4.28Å; I1947-V1950 WeakPolarHBondContact O-CA 3.34Å; I1947-V1950 WeakPolarHBondContact O-CB 3.25Å; I1947-V1950 PolarHBondContact O-N 3.29Å; I1947-L1951 PolarHBondContact O-N 3.12Å | ||
| 1948 | T | 60.4 | Low | 52.1 | Low | 6 Ų | 6 | 86.5 Ų | 86.5 | 4% | 0.037 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -50.4 | -38.3 | -178.1 | -45.4 | 0 | 0 | 0 | 0 | 113.2 | V1950 L1951 I1952 L2040 | T1948-V1950 VanDerWaalsContact C-N 3.27Å; T1948-V1950 PolarHBondContact O-N 2.82Å; T1948-L1951 PolarHBondContact O-N 3.13Å; T1948-I1952 HydrophobicContact CG2-CD1 4.34Å; T1948-I1952 WeakPolarHBondContact O-CB 3.18Å; T1948-I1952 VanDerWaalsContact O-CG1 3.29Å; T1948-I1952 WeakPolarHBondContact O-CG1 3.43Å; T1948-I1952 PolarHBondContact O-N 3.28Å; T1948-L2040 HydrophobicContact CG2-CB 4.24Å; T1948-L2040 HydrophobicContact CG2-CD2 4.01Å; T1948-L2040 PolarHBondContact OG1-O 3.24Å |
| 1949 | S | 56.7 | Low | 53.8 | Low | 28 Ų | 28 | 81.5 Ų | 81.5 | 20% | 0.196 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.9 | -24.8 | 176.1 | 58.5 | 0 | 0 | 0 | 0 | 114.6 | I1947 Q1953 | I1947-S1949 WeakPolarHBondContact CG2-OG 3.44Å; I1947-S1949 PolarHBondContact O-N 2.86Å; I1947-S1949 VanDerWaalsContact O-N 3.08Å; S1949-Q1953 WeakPolarHBondContact O-CB 3.39Å; S1949-Q1953 VanDerWaalsContact O-CG 3.22Å; S1949-Q1953 WeakPolarHBondContact O-CG 3.42Å; S1949-Q1953 PolarHBondContact O-N 3.18Å; S1949-Q1953 PolarHBondContact O-OE1 2.9Å |
| 1950 | V | 59.7 | Low | 55.4 | Low | 44 Ų | 44 | 73.5 Ų | 73.5 | 27% | 0.267 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -83.1 | -40.6 | 179.4 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | P1946 I1947 T1948 I1952 Q1953 Q1954 | P1946-V1950 HydrophobicContact CB-CB 4.28Å; P1946-V1950 HydrophobicContact CB-CG1 4.25Å; I1947-V1950 HydrophobicContact CB-CG2 4.28Å; I1947-V1950 WeakPolarHBondContact O-CA 3.34Å; I1947-V1950 WeakPolarHBondContact O-CB 3.25Å; I1947-V1950 PolarHBondContact O-N 3.29Å; T1948-V1950 VanDerWaalsContact C-N 3.27Å; T1948-V1950 PolarHBondContact O-N 2.82Å; V1950-I1952 PolarHBondContact O-N 2.89Å; V1950-Q1953 PolarHBondContact O-N 3.36Å; V1950-Q1954 HydrophobicContact CG1-CG 4.26Å; V1950-Q1954 WeakPolarHBondContact O-CB 3.48Å; V1950-Q1954 VanDerWaalsContact O-CG 3.26Å; V1950-Q1954 WeakPolarHBondContact O-CG 3.29Å; V1950-Q1954 PolarHBondContact O-N 3.02Å |
| 1951 | L | 62.4 | Low | 57.5 | Low | 12 Ų | 12 | 67.1 Ų | 67.1 | 6% | 0.063 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.1 | -38.2 | 172.7 | -67 | 171.5 | 0 | 0 | 0 | 111.5 | L1929 P1946 I1947 T1948 L1956 L1957 L2040 | L1929-L1951 HydrophobicContact CD2-CD1 4.11Å; P1946-L1951 HydrophobicContact CG-CD2 3.74Å; P1946-L1951 HydrophobicContact CG-CG 4.06Å; I1947-L1951 PolarHBondContact O-N 3.12Å; T1948-L1951 PolarHBondContact O-N 3.13Å; L1951-L1956 HydrophobicContact CD2-CD1 3.9Å; L1951-L1956 PolarHBondContact O-N 3.23Å; L1951-L1956 VanDerWaalsContact O-N 3.16Å; L1951-L1957 HydrophobicContact CB-CD1 4.06Å; L1951-L2040 HydrophobicContact CD1-CD2 4.49Å |
| 1952 | I | 60.5 | Low | 59.6 | Low | 20 Ų | 20 | 59.2 Ų | 59.2 | 10% | 0.103 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.1 | -57.7 | 169.8 | -76.8 | 175.9 | 0 | 0 | 0 | 111.2 | T1948 V1950 Q1954 G1955 E2114 | T1948-I1952 HydrophobicContact CG2-CD1 4.34Å; T1948-I1952 WeakPolarHBondContact O-CB 3.18Å; T1948-I1952 VanDerWaalsContact O-CG1 3.29Å; T1948-I1952 WeakPolarHBondContact O-CG1 3.43Å; T1948-I1952 PolarHBondContact O-N 3.28Å; V1950-I1952 PolarHBondContact O-N 2.89Å; I1952-Q1954 PolarHBondContact O-N 2.88Å; I1952-Q1954 VanDerWaalsContact O-N 3.12Å; I1952-G1955 PolarHBondContact O-N 2.96Å; I1952-E2114 WeakPolarHBondContact CB-OE2 3.44Å; I1952-E2114 WeakPolarHBondContact CD1-OE2 3.47Å; I1952-E2114 WeakPolarHBondContact CG1-OE2 3.48Å; I1952-E2114 WeakPolarHBondContact CG2-OE2 3.09Å |
| 1953 | Q | 56.1 | Low | 61.2 | Low | 121 Ų | 121 | 52.4 Ų | 52.4 | 57% | 0.565 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.9 | -16.3 | -178.9 | -76.4 | 172.1 | -25.7 | 0 | 0 | 114.4 | S1949 V1950 | S1949-Q1953 WeakPolarHBondContact O-CB 3.39Å; S1949-Q1953 VanDerWaalsContact O-CG 3.22Å; S1949-Q1953 WeakPolarHBondContact O-CG 3.42Å; S1949-Q1953 PolarHBondContact O-N 3.18Å; S1949-Q1953 PolarHBondContact O-OE1 2.9Å; V1950-Q1953 PolarHBondContact O-N 3.36Å |
| 1954 | Q | 57.5 | Low | 62.9 | Low | 120 Ų | 120 | 48.2 Ų | 48.2 | 56% | 0.561 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 5.1 | 176.2 | -71.2 | 176.6 | -28.4 | 0 | 0 | 113.5 | V1950 I1952 L1956 | V1950-Q1954 HydrophobicContact CG1-CG 4.26Å; V1950-Q1954 WeakPolarHBondContact O-CB 3.48Å; V1950-Q1954 VanDerWaalsContact O-CG 3.26Å; V1950-Q1954 WeakPolarHBondContact O-CG 3.29Å; V1950-Q1954 PolarHBondContact O-N 3.02Å; I1952-Q1954 PolarHBondContact O-N 2.88Å; I1952-Q1954 VanDerWaalsContact O-N 3.12Å; Q1954-L1956 HydrophobicContact CB-CD1 4.09Å; Q1954-L1956 HydrophobicContact CB-CG 4.29Å; Q1954-L1956 PolarHBondContact O-N 2.75Å; Q1954-L1956 VanDerWaalsContact O-N 3.13Å |
| 1955 | G | 57.4 | Low | 64.3 | Low | 32 Ų | 32 | 42 Ų | 42 | 33% | 0.33 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 4.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | I1952 L1957 | I1952-G1955 PolarHBondContact O-N 2.96Å; G1955-L1957 PolarHBondContact O-N 3.15Å |
| 1956 | L | 59.9 | Low | 65.5 | Low | 75 Ų | 75 | 38.3 Ų | 38.3 | 39% | 0.393 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -70.6 | -11.1 | -178.2 | -71 | 165.5 | 0 | 0 | 0 | 113.3 | S1928 L1951 Q1954 | S1928-L1956 PolarHBondContact OG-O 3Å; L1951-L1956 HydrophobicContact CD2-CD1 3.9Å; L1951-L1956 PolarHBondContact O-N 3.23Å; L1951-L1956 VanDerWaalsContact O-N 3.16Å; Q1954-L1956 HydrophobicContact CB-CD1 4.09Å; Q1954-L1956 HydrophobicContact CB-CG 4.29Å; Q1954-L1956 PolarHBondContact O-N 2.75Å; Q1954-L1956 VanDerWaalsContact O-N 3.13Å |
| 1957 | L | 64 | Low | 66.5 | Low | 9 Ų | 9 | 35.9 Ų | 35.9 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -136.7 | 79.4 | 175.9 | -71.9 | 170.3 | 0 | 0 | 0 | 109.4 | W1925 L1951 G1955 L2040 | W1925-L1957 HydrophobicContact CE3-CD2 4.1Å; W1925-L1957 WeakPolarHBondContact O-CD2 3.16Å; L1951-L1957 HydrophobicContact CB-CD1 4.06Å; G1955-L1957 PolarHBondContact O-N 3.15Å; L1957-L2040 HydrophobicContact CD1-CD2 4.05Å |
| 1958 | S | 69.7 | Low | 67.5 | Low | 27 Ų | 27 | 31.7 Ų | 31.7 | 19% | 0.189 | 18% | 0.177 | C | C | . | . | trans | -71.5 | 147.5 | -179.1 | 69.7 | 0 | 0 | 0 | 0 | 112.8 | E1851 G1960 R1961 I1962 | E1851-S1958 WeakPolarHBondContact OE1-CB 3.49Å; E1851-S1958 PolarHBondContact OE1-OG 3.26Å; S1958-G1960 VanDerWaalsContact C-N 3.29Å; S1958-G1960 PolarHBondContact O-N 2.91Å; S1958-R1961 PolarHBondContact O-N 2.9Å; S1958-R1961 WeakPolarHBondContact OG-CD 3.27Å; S1958-R1961 WeakPolarHBondContact OG-CG 3.44Å; S1958-I1962 PolarHBondContact O-N 3.24Å | ||
| 1959 | T | 66.9 | Low | 68.3 | Low | 61 Ų | 61 | 31.5 Ų | 31.5 | 37% | 0.374 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -54.4 | -44 | 175.9 | 43 | 0 | 0 | 0 | 0 | 112.4 | I1962 Q1963 E2114 | T1959-I1962 PolarHBondContact O-N 3.24Å; T1959-Q1963 PolarHBondContact O-N 3.02Å; T1959-E2114 HydrophobicContact CG2-CG 3.35Å |
| 1960 | G | 67.5 | Low | 69.3 | Low | 17 Ų | 17 | 32.7 Ų | 32.7 | 18% | 0.175 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.2 | -49.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1958 I1962 Q1963 L1964 | S1958-G1960 VanDerWaalsContact C-N 3.29Å; S1958-G1960 PolarHBondContact O-N 2.91Å; G1960-I1962 VanDerWaalsContact C-N 3.33Å; G1960-I1962 PolarHBondContact O-N 3.25Å; G1960-Q1963 PolarHBondContact O-N 3.26Å; G1960-L1964 VanDerWaalsContact O-CB 3.24Å; G1960-L1964 WeakPolarHBondContact O-CB 3.48Å; G1960-L1964 PolarHBondContact O-N 3.27Å |
| 1961 | R | 75.1 | Confident | 70.2 | Confident | 35 Ų | 35 | 30.7 Ų | 30.7 | 13% | 0.132 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.9 | -43.4 | 177.9 | -71.8 | 176 | -170.7 | -161 | 8.2 | 112.6 | E1851 Y1924 W1925 S1958 A1965 | E1851-R1961 WeakPolarHBondContact OE1-CG 3.43Å; E1851-R1961 IonicContact OE1-CZ 3.23Å; E1851-R1961 IonicContact OE1-NE 2.83Å; E1851-R1961 PolarHBondContact OE1-NE 3.28Å; E1851-R1961 IonicContact OE1-NH2 2.72Å; E1851-R1961 IonicContact OE2-CZ 2.65Å; E1851-R1961 VanDerWaalsContact OE2-CZ 3.27Å; E1851-R1961 IonicContact OE2-NE 2.61Å; E1851-R1961 PolarHBondContact OE2-NE 2.94Å; E1851-R1961 VanDerWaalsContact OE2-NE 3.08Å; E1851-R1961 IonicContact OE2-NH2 3.65Å; E1851-R1961 PolarHBondContact OE2-NH2 3.22Å; Y1924-R1961 HydrophobicContact CD1-CG 3.68Å; Y1924-R1961 HydrophobicContact CE1-CG 3.7Å; Y1924-R1961 PolarHBondContact OH-NH2 3.36Å; W1925-R1961 HydrophobicContact CB-CB 3.76Å; S1958-R1961 PolarHBondContact O-N 2.9Å; S1958-R1961 WeakPolarHBondContact OG-CD 3.27Å; S1958-R1961 WeakPolarHBondContact OG-CG 3.44Å; R1961-A1965 PolarHBondContact O-N 3.05Å; R1961-A1965 VanDerWaalsContact O-N 3.15Å |
| 1962 | I | 75.1 | Confident | 70.8 | Confident | 6 Ų | 6 | 30.6 Ų | 30.6 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.1 | -44.9 | -179.5 | -57.1 | 172.5 | 0 | 0 | 0 | 110.8 | W1925 S1958 T1959 G1960 L1964 A1965 E1966 H2121 | W1925-I1962 HydrophobicContact CB-CG1 4.46Å; W1925-I1962 HydrophobicContact CE3-CG1 4.4Å; S1958-I1962 PolarHBondContact O-N 3.24Å; T1959-I1962 PolarHBondContact O-N 3.24Å; G1960-I1962 VanDerWaalsContact C-N 3.33Å; G1960-I1962 PolarHBondContact O-N 3.25Å; I1962-L1964 VanDerWaalsContact C-N 3.33Å; I1962-L1964 PolarHBondContact O-N 3.03Å; I1962-A1965 PolarHBondContact O-N 2.87Å; I1962-E1966 PolarHBondContact O-N 3.41Å; I1962-H2121 HydrophobicContact CG2-CB 4.08Å; I1962-H2121 PolarHBondContact O-CE1 2.65Å; I1962-H2121 VanDerWaalsContact O-CE1 3.28Å |
| 1963 | Q | 75 | Confident | 71.5 | Confident | 40 Ų | 40 | 30.6 Ų | 30.6 | 19% | 0.187 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.4 | -37 | 178.7 | -174.8 | 175.2 | -38.6 | 0 | 0 | 111.8 | I1882 T1959 G1960 E1966 T1967 Y2117 | I1882-Q1963 HydrophobicContact CD1-CB 4.12Å; I1882-Q1963 HydrophobicContact CD1-CG 4.03Å; T1959-Q1963 PolarHBondContact O-N 3.02Å; G1960-Q1963 PolarHBondContact O-N 3.26Å; Q1963-E1966 WeakPolarHBondContact O-CB 3.38Å; Q1963-E1966 PolarHBondContact O-N 2.85Å; Q1963-T1967 PolarHBondContact O-N 3.03Å; Q1963-T1967 PolarHBondContact O-OG1 3.01Å; Q1963-Y2117 HydrophobicContact CB-CD1 4.09Å; Q1963-Y2117 HydrophobicContact CB-CE1 4.13Å; Q1963-Y2117 HydrophobicContact CG-CD1 4.27Å; Q1963-Y2117 HydrophobicContact CG-CE1 3.98Å; Q1963-Y2117 VanDerWaalsContact OE1-CZ 3.22Å; Q1963-Y2117 PolarHBondContact OE1-OH 3.34Å |
| 1964 | L | 78.6 | Confident | 72.2 | Confident | 5 Ų | 5 | 25.8 Ų | 25.8 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.2 | -46.3 | 176.7 | -166.8 | 153.7 | 0 | 0 | 0 | 111 | L1881 I1882 L1921 G1960 I1962 E1966 T1967 I1968 | L1881-L1964 HydrophobicContact CB-CD1 4.13Å; L1881-L1964 HydrophobicContact CD1-CD1 4.09Å; I1882-L1964 HydrophobicContact CD1-CB 4.06Å; I1882-L1964 HydrophobicContact CG1-CB 3.97Å; I1882-L1964 HydrophobicContact CG1-CD1 4.45Å; I1882-L1964 HydrophobicContact CG1-CG 4.18Å; L1921-L1964 HydrophobicContact CB-CD2 3.72Å; L1921-L1964 HydrophobicContact CD1-CD2 4.18Å; L1921-L1964 HydrophobicContact CD2-CD1 4.31Å; L1921-L1964 HydrophobicContact CD2-CD2 3.89Å; L1921-L1964 HydrophobicContact CG-CD2 4.14Å; G1960-L1964 VanDerWaalsContact O-CB 3.24Å; G1960-L1964 WeakPolarHBondContact O-CB 3.48Å; G1960-L1964 PolarHBondContact O-N 3.27Å; I1962-L1964 VanDerWaalsContact C-N 3.33Å; I1962-L1964 PolarHBondContact O-N 3.03Å; L1964-E1966 VanDerWaalsContact C-N 3.34Å; L1964-E1966 PolarHBondContact O-N 3.4Å; L1964-T1967 WeakPolarHBondContact CA-OG1 3.35Å; L1964-T1967 PolarHBondContact O-N 2.8Å; L1964-T1967 VanDerWaalsContact O-N 3.11Å; L1964-T1967 PolarHBondContact O-OG1 3.26Å; L1964-I1968 HydrophobicContact CD2-CD1 3.62Å; L1964-I1968 HydrophobicContact CD2-CG1 4.3Å; L1964-I1968 PolarHBondContact O-N 2.96Å |
| 1965 | A | 77.6 | Confident | 72.8 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.8 | -36.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | W1925 R1961 I1962 T1967 I1968 L1969 H2121 | W1925-A1965 HydrophobicContact CG-CB 4.45Å; R1961-A1965 PolarHBondContact O-N 3.05Å; R1961-A1965 VanDerWaalsContact O-N 3.15Å; I1962-A1965 PolarHBondContact O-N 2.87Å; A1965-T1967 VanDerWaalsContact C-N 3.33Å; A1965-T1967 PolarHBondContact O-N 3.42Å; A1965-I1968 PolarHBondContact O-N 3.43Å; A1965-L1969 WeakPolarHBondContact O-CG 2.98Å; A1965-L1969 PolarHBondContact O-N 3.26Å; A1965-L1969 VanDerWaalsContact O-N 3.1Å; A1965-H2121 WeakPolarHBondContact CB-CE1 3.32Å; A1965-H2121 WeakPolarHBondContact CB-NE2 3.38Å; A1965-H2121 PolarHBondContact O-CE1 3.45Å |
| 1966 | E | 81.3 | Confident | 73.3 | Confident | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.019 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.8 | -41.3 | 170.1 | -165.6 | -159.1 | 135.9 | 0 | 0 | 111.8 | I1962 Q1963 L1964 K1970 R2120 H2121 M2124 | I1962-E1966 PolarHBondContact O-N 3.41Å; Q1963-E1966 WeakPolarHBondContact O-CB 3.38Å; Q1963-E1966 PolarHBondContact O-N 2.85Å; L1964-E1966 VanDerWaalsContact C-N 3.34Å; L1964-E1966 PolarHBondContact O-N 3.4Å; E1966-K1970 WeakPolarHBondContact O-CG 3.27Å; E1966-K1970 PolarHBondContact O-N 3.48Å; E1966-K1970 WeakPolarHBondContact OE1-CE 3.4Å; E1966-K1970 IonicContact OE1-NZ 3.38Å; E1966-K1970 PolarHBondContact OE1-NZ 3.37Å; E1966-R2120 VanDerWaalsContact CD-CB 3.47Å; E1966-R2120 HydrophobicContact CG-CB 4.25Å; E1966-R2120 VanDerWaalsContact OE2-CB 3.26Å; E1966-R2120 WeakPolarHBondContact OE2-CB 3.3Å; E1966-H2121 WeakPolarHBondContact CA-CE1 3.33Å; E1966-H2121 HydrophobicContact CB-CB 4.39Å; E1966-H2121 PolarHBondContact N-CE1 2.91Å; E1966-M2124 HydrophobicContact CG-CE 4.39Å |
| 1967 | T | 77 | Confident | 73.5 | Confident | 4 Ų | 4 | 17.9 Ų | 17.9 | 3% | 0.025 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -70.9 | -37.1 | 177.8 | 42.2 | 0 | 0 | 0 | 0 | 114.3 | Q1886 Q1963 L1964 A1965 K1970 L1971 | Q1886-T1967 HydrophobicContact CG-CG2 4.29Å; Q1963-T1967 PolarHBondContact O-N 3.03Å; Q1963-T1967 PolarHBondContact O-OG1 3.01Å; L1964-T1967 WeakPolarHBondContact CA-OG1 3.35Å; L1964-T1967 PolarHBondContact O-N 2.8Å; L1964-T1967 VanDerWaalsContact O-N 3.11Å; L1964-T1967 PolarHBondContact O-OG1 3.26Å; A1965-T1967 VanDerWaalsContact C-N 3.33Å; A1965-T1967 PolarHBondContact O-N 3.42Å; T1967-K1970 WeakPolarHBondContact O-CB 3.47Å; T1967-K1970 PolarHBondContact O-N 3.46Å; T1967-L1971 PolarHBondContact O-N 3.38Å; T1967-L1971 VanDerWaalsContact O-N 3.15Å |
| 1968 | I | 79.2 | Confident | 73.4 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.6 | -41.9 | 174.9 | -62.6 | 170.8 | 0 | 0 | 0 | 110.4 | M1885 L1918 L1921 V1922 L1964 A1965 K1970 L1971 Y1972 | M1885-I1968 HydrophobicContact CE-CG1 3.98Å; M1885-I1968 HydrophobicContact SD-CG1 4.39Å; L1918-I1968 HydrophobicContact CD2-CD1 4.01Å; L1918-I1968 HydrophobicContact CD2-CG1 4.13Å; L1918-I1968 HydrophobicContact CD2-CG2 4.18Å; L1921-I1968 HydrophobicContact CB-CD1 3.57Å; L1921-I1968 HydrophobicContact CD1-CD1 4.3Å; V1922-I1968 HydrophobicContact CG2-CB 3.8Å; V1922-I1968 HydrophobicContact CG2-CD1 3.93Å; V1922-I1968 HydrophobicContact CG2-CG1 4.48Å; V1922-I1968 HydrophobicContact CG2-CG2 3.46Å; V1922-I1968 VanDerWaalsContact CG2-CG2 3.46Å; L1964-I1968 HydrophobicContact CD2-CD1 3.62Å; L1964-I1968 HydrophobicContact CD2-CG1 4.3Å; L1964-I1968 PolarHBondContact O-N 2.96Å; A1965-I1968 PolarHBondContact O-N 3.43Å; I1968-K1970 VanDerWaalsContact C-N 3.28Å; I1968-K1970 PolarHBondContact O-N 3.16Å; I1968-L1971 WeakPolarHBondContact O-CB 3.16Å; I1968-L1971 PolarHBondContact O-N 3.19Å; I1968-Y1972 HydrophobicContact CG2-CD2 4Å; I1968-Y1972 HydrophobicContact CG2-CE1 4.32Å; I1968-Y1972 HydrophobicContact CG2-CE2 3.64Å; I1968-Y1972 HydrophobicContact CG2-CG 4.5Å; I1968-Y1972 PolarHBondContact O-N 3.37Å |
| 1969 | L | 77.4 | Confident | 72.7 | Confident | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.2 | -30.8 | 174.8 | -67.9 | 177 | 0 | 0 | 0 | 112.6 | A1965 L1971 Y1972 W1973 I2030 H2121 M2124 S2125 | A1965-L1969 WeakPolarHBondContact O-CG 2.98Å; A1965-L1969 PolarHBondContact O-N 3.26Å; A1965-L1969 VanDerWaalsContact O-N 3.1Å; L1969-L1971 VanDerWaalsContact C-N 3.33Å; L1969-Y1972 HydrophobicContact CD2-CD2 4.39Å; L1969-W1973 VanDerWaalsContact O-CB 3.23Å; L1969-W1973 WeakPolarHBondContact O-CB 3.35Å; L1969-W1973 PolarHBondContact O-N 3.34Å; L1969-I2030 HydrophobicContact CD2-CD1 4.29Å; L1969-I2030 HydrophobicContact CD2-CG1 3.97Å; L1969-H2121 WeakPolarHBondContact CD1-NE2 3.4Å; L1969-M2124 HydrophobicContact CB-CB 4.05Å; L1969-M2124 HydrophobicContact CB-CG 3.42Å; L1969-M2124 VanDerWaalsContact CB-CG 3.42Å; L1969-M2124 HydrophobicContact CD1-CB 4.3Å; L1969-S2125 VanDerWaalsContact CD1-OG 3.27Å; L1969-S2125 WeakPolarHBondContact CD1-OG 3.33Å |
| 1970 | K | 76.8 | Confident | 72 | Confident | 53 Ų | 53 | 20 Ų | 20 | 23% | 0.23 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.1 | -32.2 | 170.5 | -79.5 | 166.6 | 171.6 | 165.2 | 0 | 113.3 | E1966 T1967 I1968 R1974 M2124 | E1966-K1970 WeakPolarHBondContact O-CG 3.27Å; E1966-K1970 PolarHBondContact O-N 3.48Å; E1966-K1970 WeakPolarHBondContact OE1-CE 3.4Å; E1966-K1970 IonicContact OE1-NZ 3.38Å; E1966-K1970 PolarHBondContact OE1-NZ 3.37Å; T1967-K1970 WeakPolarHBondContact O-CB 3.47Å; T1967-K1970 PolarHBondContact O-N 3.46Å; I1968-K1970 VanDerWaalsContact C-N 3.28Å; I1968-K1970 PolarHBondContact O-N 3.16Å; K1970-R1974 PolarHBondContact O-NH1 3.11Å; K1970-M2124 HydrophobicContact CB-SD 4.37Å; K1970-M2124 HydrophobicContact CD-CE 4.11Å; K1970-M2124 HydrophobicContact CG-CE 3.43Å; K1970-M2124 VanDerWaalsContact CG-CE 3.43Å; K1970-M2124 HydrophobicContact CG-CG 4.24Å; K1970-M2124 HydrophobicContact CG-SD 3.52Å; K1970-M2124 VanDerWaalsContact CG-SD 3.52Å |
| 1971 | L | 78.7 | Confident | 71.3 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -75.2 | -51.2 | 175 | -177 | 65.4 | 0 | 0 | 0 | 110.5 | M1885 I1907 F1910 T1967 I1968 L1969 W1973 R1974 I1975 | M1885-L1971 HydrophobicContact CE-CD2 4.46Å; M1885-L1971 HydrophobicContact SD-CB 4.4Å; M1885-L1971 HydrophobicContact SD-CD2 3.78Å; I1907-L1971 HydrophobicContact CG2-CD1 4.47Å; F1910-L1971 HydrophobicContact CD1-CD2 4.15Å; F1910-L1971 HydrophobicContact CE1-CD2 3.92Å; T1967-L1971 PolarHBondContact O-N 3.38Å; T1967-L1971 VanDerWaalsContact O-N 3.15Å; I1968-L1971 WeakPolarHBondContact O-CB 3.16Å; I1968-L1971 PolarHBondContact O-N 3.19Å; L1969-L1971 VanDerWaalsContact C-N 3.33Å; L1971-W1973 VanDerWaalsContact C-N 3.3Å; L1971-W1973 PolarHBondContact O-N 2.98Å; L1971-R1974 WeakPolarHBondContact O-CB 3.43Å; L1971-R1974 PolarHBondContact O-N 3.09Å; L1971-R1974 VanDerWaalsContact O-N 3.09Å; L1971-I1975 HydrophobicContact CD1-CD1 4.44Å; L1971-I1975 HydrophobicContact CG-CD1 4.02Å; L1971-I1975 WeakPolarHBondContact O-CG1 3.23Å; L1971-I1975 PolarHBondContact O-N 3.17Å; L1971-I1975 VanDerWaalsContact O-N 3.09Å |
| 1972 | Y | 76.2 | Confident | 69.8 | Low | 11 Ų | 11 | 30.1 Ų | 30.1 | 4% | 0.043 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.2 | -41.3 | 175.8 | -69 | -22.6 | 0 | 0 | 0 | 112.3 | L1918 V1922 I1968 L1969 R1974 I1975 L1976 F2022 V2026 | L1918-Y1972 WeakPolarHBondContact CB-OH 3.32Å; V1922-Y1972 HydrophobicContact CG2-CE2 4.37Å; I1968-Y1972 HydrophobicContact CG2-CD2 4Å; I1968-Y1972 HydrophobicContact CG2-CE1 4.32Å; I1968-Y1972 HydrophobicContact CG2-CE2 3.64Å; I1968-Y1972 HydrophobicContact CG2-CG 4.5Å; I1968-Y1972 PolarHBondContact O-N 3.37Å; L1969-Y1972 HydrophobicContact CD2-CD2 4.39Å; Y1972-R1974 VanDerWaalsContact C-N 3.33Å; Y1972-R1974 PolarHBondContact O-N 3.48Å; Y1972-I1975 HydrophobicContact CD1-CD1 4.45Å; Y1972-I1975 PolarHBondContact O-N 3.35Å; Y1972-L1976 WeakPolarHBondContact O-CB 3.34Å; Y1972-L1976 WeakPolarHBondContact O-CD1 3.23Å; Y1972-L1976 WeakPolarHBondContact O-CG 3.46Å; Y1972-L1976 PolarHBondContact O-N 3.48Å; Y1972-F2022 HydrophobicContact CD1-CZ 4.12Å; Y1972-F2022 HydrophobicContact CE1-CE2 4.35Å; Y1972-F2022 AromaticContact CE1-CZ 3.8Å; Y1972-F2022 HydrophobicContact CE1-CZ 3.8Å; Y1972-V2026 HydrophobicContact CD2-CG1 4.18Å; Y1972-V2026 HydrophobicContact CD2-CG2 4.17Å; Y1972-V2026 HydrophobicContact CE2-CG2 4.08Å |
| 1973 | W | 74.9 | Confident | 68.1 | Low | 20 Ų | 20 | 32.4 Ų | 32.4 | 8% | 0.076 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.5 | -44.1 | 175.2 | -179.3 | 75.2 | 0 | 0 | 0 | 112.5 | L1969 L1971 L1976 V1977 A1991 V2128 | L1969-W1973 VanDerWaalsContact O-CB 3.23Å; L1969-W1973 WeakPolarHBondContact O-CB 3.35Å; L1969-W1973 PolarHBondContact O-N 3.34Å; L1971-W1973 VanDerWaalsContact C-N 3.3Å; L1971-W1973 PolarHBondContact O-N 2.98Å; W1973-L1976 PolarHBondContact O-N 2.95Å; W1973-V1977 HydrophobicContact CD2-CG2 4.23Å; W1973-V1977 HydrophobicContact CZ2-CG2 3.83Å; W1973-V1977 WeakPolarHBondContact O-CB 3.43Å; W1973-V1977 VanDerWaalsContact O-CG2 3.27Å; W1973-V1977 WeakPolarHBondContact O-CG2 3.42Å; W1973-V1977 PolarHBondContact O-N 3.02Å; W1973-A1991 HydrophobicContact CZ2-CB 3.52Å; W1973-V2128 HydrophobicContact CB-CG2 3.72Å; W1973-V2128 HydrophobicContact CG-CG2 4.26Å |
| 1974 | R | 71.1 | Confident | 66.2 | Low | 19 Ų | 19 | 36.7 Ų | 36.7 | 7% | 0.072 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.2 | -45.2 | 176.7 | -76.3 | 171.4 | 174.2 | 73.9 | 0.7 | 112.2 | D1893 K1970 L1971 Y1972 L1976 V1977 A1978 | D1893-R1974 VanDerWaalsContact CG-NE 3.33Å; D1893-R1974 IonicContact OD1-CZ 2.85Å; D1893-R1974 IonicContact OD1-NE 3.75Å; D1893-R1974 PolarHBondContact OD1-NE 3.05Å; D1893-R1974 IonicContact OD1-NH2 3.8Å; D1893-R1974 IonicContact OD2-CZ 3.84Å; D1893-R1974 VanDerWaalsContact OD2-CZ 3.29Å; D1893-R1974 IonicContact OD2-NE 2.62Å; D1893-R1974 PolarHBondContact OD2-NE 2.88Å; D1893-R1974 IonicContact OD2-NH2 3.27Å; D1893-R1974 PolarHBondContact OD2-NH2 3.23Å; K1970-R1974 PolarHBondContact O-NH1 3.11Å; L1971-R1974 WeakPolarHBondContact O-CB 3.43Å; L1971-R1974 PolarHBondContact O-N 3.09Å; L1971-R1974 VanDerWaalsContact O-N 3.09Å; Y1972-R1974 VanDerWaalsContact C-N 3.33Å; Y1972-R1974 PolarHBondContact O-N 3.48Å; R1974-L1976 PolarHBondContact O-N 2.95Å; R1974-V1977 PolarHBondContact O-N 3.37Å; R1974-A1978 WeakPolarHBondContact O-CB 3.29Å; R1974-A1978 PolarHBondContact O-N 2.95Å |
| 1975 | I | 70.6 | Confident | 64.1 | Low | 23 Ų | 23 | 42.3 Ų | 42.3 | 12% | 0.118 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.1 | -45.3 | 178.8 | -64.9 | 165.6 | 0 | 0 | 0 | 110.8 | M1898 I1907 C1911 L1971 Y1972 A1978 A1979 | M1898-I1975 HydrophobicContact CE-CG1 4.45Å; I1907-I1975 HydrophobicContact CG2-CD1 4.03Å; I1907-I1975 HydrophobicContact CG2-CG1 4.13Å; C1911-I1975 VanDerWaalsContact SG-CD1 3.59Å; L1971-I1975 HydrophobicContact CD1-CD1 4.44Å; L1971-I1975 HydrophobicContact CG-CD1 4.02Å; L1971-I1975 WeakPolarHBondContact O-CG1 3.23Å; L1971-I1975 PolarHBondContact O-N 3.17Å; L1971-I1975 VanDerWaalsContact O-N 3.09Å; Y1972-I1975 HydrophobicContact CD1-CD1 4.45Å; Y1972-I1975 PolarHBondContact O-N 3.35Å; I1975-A1978 PolarHBondContact O-N 3.3Å; I1975-A1979 PolarHBondContact O-N 3.43Å |
| 1976 | L | 66.1 | Low | 61.9 | Low | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.2 | -43.3 | -179.2 | -66.6 | 167.1 | 0 | 0 | 0 | 112.2 | Y1972 W1973 R1974 A1978 A1979 E1980 F2023 V2026 V2128 | Y1972-L1976 WeakPolarHBondContact O-CB 3.34Å; Y1972-L1976 WeakPolarHBondContact O-CD1 3.23Å; Y1972-L1976 WeakPolarHBondContact O-CG 3.46Å; Y1972-L1976 PolarHBondContact O-N 3.48Å; W1973-L1976 PolarHBondContact O-N 2.95Å; R1974-L1976 PolarHBondContact O-N 2.95Å; L1976-A1978 VanDerWaalsContact C-N 3.27Å; L1976-A1978 PolarHBondContact O-N 3.04Å; L1976-A1979 PolarHBondContact O-N 3.25Å; L1976-E1980 PolarHBondContact O-N 3.1Å; L1976-F2023 HydrophobicContact CD2-CD1 3.44Å; L1976-F2023 VanDerWaalsContact CD2-CD1 3.44Å; L1976-F2023 HydrophobicContact CD2-CE1 3.29Å; L1976-F2023 HydrophobicContact CD2-CZ 4.36Å; L1976-V2026 HydrophobicContact CD1-CG1 4.28Å; L1976-V2128 HydrophobicContact CD1-CG1 3.34Å |
| 1977 | V | 65 | Low | 59.8 | Low | 31 Ų | 31 | 51.9 Ų | 51.9 | 19% | 0.188 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.5 | -31 | 174.9 | 170.6 | 0 | 0 | 0 | 0 | 112 | W1973 R1974 I1989 V2131 | W1973-V1977 HydrophobicContact CD2-CG2 4.23Å; W1973-V1977 HydrophobicContact CZ2-CG2 3.83Å; W1973-V1977 WeakPolarHBondContact O-CB 3.43Å; W1973-V1977 VanDerWaalsContact O-CG2 3.27Å; W1973-V1977 WeakPolarHBondContact O-CG2 3.42Å; W1973-V1977 PolarHBondContact O-N 3.02Å; R1974-V1977 PolarHBondContact O-N 3.37Å; V1977-I1989 HydrophobicContact CG1-CD1 4.36Å; V1977-I1989 HydrophobicContact CG2-CD1 3.98Å; V1977-V2131 HydrophobicContact CG2-CG2 4.04Å |
| 1978 | A | 61.7 | Low | 57.9 | Low | 31 Ų | 31 | 55.5 Ų | 55.5 | 26% | 0.256 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -72.1 | -37.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1898 R1974 I1975 L1976 | M1898-A1978 HydrophobicContact CB-CB 3.92Å; M1898-A1978 HydrophobicContact CG-CB 3.6Å; R1974-A1978 WeakPolarHBondContact O-CB 3.29Å; R1974-A1978 PolarHBondContact O-N 2.95Å; I1975-A1978 PolarHBondContact O-N 3.3Å; L1976-A1978 VanDerWaalsContact C-N 3.27Å; L1976-A1978 PolarHBondContact O-N 3.04Å |
| 1979 | A | 55.9 | Low | 55.9 | Low | 31 Ų | 31 | 57.4 Ų | 57.4 | 26% | 0.256 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.4 | -37.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1975 L1976 Y1981 I1982 F2023 | I1975-A1979 PolarHBondContact O-N 3.43Å; L1976-A1979 PolarHBondContact O-N 3.25Å; A1979-Y1981 PolarHBondContact O-N 3.13Å; A1979-I1982 PolarHBondContact O-N 2.97Å; A1979-F2023 HydrophobicContact CB-CZ 4.42Å |
| 1980 | E | 52 | Low | 54.1 | Low | 78 Ų | 78 | 62.1 Ų | 62.1 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.4 | -20.3 | -174.3 | -143.8 | 171.1 | -128.1 | 0 | 0 | 113.5 | L1976 I1982 G1983 I1989 V2131 | L1976-E1980 PolarHBondContact O-N 3.1Å; E1980-I1982 PolarHBondContact O-N 3.36Å; E1980-G1983 PolarHBondContact O-N 3.42Å; E1980-I1989 WeakPolarHBondContact OE2-CD1 3.49Å; E1980-V2131 WeakPolarHBondContact OE2-CG1 3.4Å |
| 1981 | Y | 51.4 | Low | 52.3 | Low | 151 Ų | 151 | 60 Ų | 60 | 59% | 0.592 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -8.9 | 176.4 | -101.9 | -83.4 | 0 | 0 | 0 | 115.2 | A1979 | A1979-Y1981 PolarHBondContact O-N 3.13Š|
| 1982 | I | 45.3 | Very low | 50.4 | Low | 115 Ų | 115 | 62.6 Ų | 62.6 | 59% | 0.59 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -19.1 | -179.2 | -59 | 175.7 | 0 | 0 | 0 | 111.6 | A1979 E1980 | A1979-I1982 PolarHBondContact O-N 2.97Å; E1980-I1982 PolarHBondContact O-N 3.36Å |
| 1983 | G | 39 | Very low | 48.7 | Very low | 53 Ų | 53 | 67.5 Ų | 67.5 | 55% | 0.546 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -103.1 | 102.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1980 | E1980-G1983 PolarHBondContact O-N 3.42Š|
| 1984 | T | 33.7 | Very low | 47.2 | Very low | 130 Ų | 130 | 67.8 Ų | 67.8 | 80% | 0.798 | 40% | 0.403 | S | S | * | . | S | Bend | trans | 37.2 | 92.9 | 159.3 | 52.8 | 0 | 0 | 0 | 0 | 118.5 | ||
| 1985 | S | 35.2 | Very low | 45.5 | Very low | 123 Ų | 123 | 69.4 Ų | 69.4 | 86% | 0.86 | 41% | 0.413 | S | S | * | . | trans | 53.9 | 95.4 | 148.7 | 59.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1986 | G | 32.3 | Very low | 44 | Very low | 52 Ų | 52 | 74.4 Ų | 74.4 | 54% | 0.536 | 44% | 0.435 | S | S | . | . | 123.8 | 108.6 | 119.8 | 0 | 0 | 0 | 0 | 0 | 120 | K2138 | G1986-K2138 PolarHBondContact O-NZ 3.18Š| |||
| 1987 | L | 37.2 | Very low | 42.3 | Very low | 153 Ų | 153 | 78.8 Ų | 78.8 | 80% | 0.801 | 47% | 0.467 | S | S | * | . | trans | 79.6 | 144.1 | 160.4 | -62.6 | 163.8 | 0 | 0 | 0 | 117 | ||||
| 1988 | P | 36.4 | Very low | 40.6 | Very low | 81 Ų | 81 | 84.3 Ų | 84.3 | 53% | 0.526 | 50% | 0.496 | S | S | . | . | trans | -79.5 | 152.6 | -157.6 | 31.6 | -37.6 | 0 | 0 | 0 | 114.9 | ||||
| 1989 | I | 37.7 | Very low | 39 | Very low | 40 Ų | 40 | 92.5 Ų | 92.5 | 21% | 0.205 | 53% | 0.528 | C | S | . | . | trans | -71 | 131.5 | 176 | -52.4 | 162.6 | 0 | 0 | 0 | 109.4 | V1977 E1980 A1991 S1992 V2131 | V1977-I1989 HydrophobicContact CG1-CD1 4.36Å; V1977-I1989 HydrophobicContact CG2-CD1 3.98Å; E1980-I1989 WeakPolarHBondContact OE2-CD1 3.49Å; I1989-A1991 HydrophobicContact CG2-CB 4Å; I1989-A1991 PolarHBondContact O-N 2.75Å; I1989-S1992 PolarHBondContact O-N 3.2Å; I1989-S1992 PolarHBondContact O-OG 3.38Å; I1989-V2131 HydrophobicContact CD1-CG1 4.15Å | ||
| 1990 | I | 39.3 | Very low | 37.8 | Very low | 100 Ų | 100 | 95.3 Ų | 95.3 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -15.6 | -175.1 | -68 | 173.4 | 0 | 0 | 0 | 113.2 | S1992 N1993 I1994 I2135 | I1990-S1992 VanDerWaalsContact C-N 3.27Å; I1990-S1992 PolarHBondContact O-N 3.44Å; I1990-N1993 PolarHBondContact O-N 2.87Å; I1990-I1994 HydrophobicContact CG2-CD1 4.14Å; I1990-I2135 HydrophobicContact CD1-CD1 3.97Å; I1990-I2135 HydrophobicContact CD1-CG2 4.33Å; I1990-I2135 HydrophobicContact CG1-CD1 4.16Å |
| 1991 | A | 39 | Very low | 36.9 | Very low | 7 Ų | 7 | 98.7 Ų | 98.7 | 6% | 0.058 | 56% | 0.555 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -63.2 | -21.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | W1973 I1989 I1994 | W1973-A1991 HydrophobicContact CZ2-CB 3.52Å; I1989-A1991 HydrophobicContact CG2-CB 4Å; I1989-A1991 PolarHBondContact O-N 2.75Å; A1991-I1994 VanDerWaalsContact O-CB 3.25Å; A1991-I1994 WeakPolarHBondContact O-CB 3.33Å; A1991-I1994 WeakPolarHBondContact O-CG2 3.44Å; A1991-I1994 PolarHBondContact O-N 2.71Å |
| 1992 | S | 39.2 | Very low | 36.1 | Very low | 58 Ų | 58 | 98.5 Ų | 98.5 | 41% | 0.406 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -70.8 | -40.4 | 177.9 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | I1989 I1990 I1994 | I1989-S1992 PolarHBondContact O-N 3.2Å; I1989-S1992 PolarHBondContact O-OG 3.38Å; I1990-S1992 VanDerWaalsContact C-N 3.27Å; I1990-S1992 PolarHBondContact O-N 3.44Å; S1992-I1994 PolarHBondContact O-N 2.91Å; S1992-I1994 VanDerWaalsContact O-N 3.1Å |
| 1993 | N | 38.8 | Very low | 35.3 | Very low | 113 Ų | 113 | 97.5 Ų | 97.5 | 60% | 0.604 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -70.8 | -1.1 | 173.5 | -71.1 | -15.3 | 0 | 0 | 0 | 113.1 | I1990 | I1990-N1993 PolarHBondContact O-N 2.87Š|
| 1994 | I | 43.7 | Very low | 34.8 | Very low | 27 Ų | 27 | 102.5 Ų | 102.5 | 14% | 0.138 | 59% | 0.586 | C | S | . | * | G | 310 helix | trans | -100.5 | -30 | -163.5 | -103.3 | 177.3 | 0 | 0 | 0 | 112.1 | I1990 A1991 S1992 R2216 M2220 | I1990-I1994 HydrophobicContact CG2-CD1 4.14Å; A1991-I1994 VanDerWaalsContact O-CB 3.25Å; A1991-I1994 WeakPolarHBondContact O-CB 3.33Å; A1991-I1994 WeakPolarHBondContact O-CG2 3.44Å; A1991-I1994 PolarHBondContact O-N 2.71Å; S1992-I1994 PolarHBondContact O-N 2.91Å; S1992-I1994 VanDerWaalsContact O-N 3.1Å; I1994-R2216 PolarHBondContact O-NH1 3.06Å; I1994-R2216 PolarHBondContact O-NH2 2.63Å; I1994-M2220 HydrophobicContact CD1-CE 4.29Å |
| 1995 | L | 36.8 | Very low | 34.8 | Very low | 52 Ų | 52 | 104.1 Ų | 104.1 | 27% | 0.272 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -99.8 | 1.2 | 179.1 | -72.8 | 163.6 | 0 | 0 | 0 | 115 | M2124 | L1995-M2124 HydrophobicContact CD1-CE 3.64Å; L1995-M2124 HydrophobicContact CD1-SD 3.67Å; L1995-M2124 HydrophobicContact CD2-CE 3.56Å; L1995-M2124 HydrophobicContact CG-CE 4.26Å |
| 1996 | H | 38.3 | Very low | 34.4 | Very low | 128 Ų | 128 | 105 Ų | 105 | 59% | 0.593 | 59% | 0.59 | S | S | * | * | trans | -124.4 | 70.2 | 179.9 | -69.7 | -24.6 | 0 | 0 | 0 | 112.5 | N1998 | H1996-N1998 PolarHBondContact O-N 2.7Š| ||
| 1997 | S | 30.4 | Very low | 34.3 | Very low | 100 Ų | 100 | 107.5 Ų | 107.5 | 70% | 0.699 | 60% | 0.598 | S | S | * | * | trans | -80.2 | 58.8 | 172.4 | 60.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1998 | N | 29.7 | Very low | 34 | Very low | 148 Ų | 148 | 112.1 Ų | 112.1 | 79% | 0.791 | 61% | 0.605 | S | S | * | * | trans | -121.4 | 114.3 | 165.2 | -92.2 | -21.5 | 0 | 0 | 0 | 108.4 | H1996 S2000 | H1996-N1998 PolarHBondContact O-N 2.7Å; N1998-S2000 PolarHBondContact O-N 3.24Å | ||
| 1999 | H | 27.3 | Very low | 33.8 | Very low | 202 Ų | 202 | 115.5 Ų | 115.5 | 94% | 0.935 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -74.9 | 80.1 | -170 | -84 | -81.2 | 0 | 0 | 0 | 113.6 | ||
| 2000 | S | 30.7 | Very low | 33.4 | Very low | 91 Ų | 91 | 119.2 Ų | 119.2 | 64% | 0.636 | 64% | 0.644 | S | S | * | * | trans | -169.8 | 169.4 | 149.5 | 53.7 | 0 | 0 | 0 | 0 | 111 | N1998 | N1998-S2000 PolarHBondContact O-N 3.24Š| ||
| 2001 | R | 34.2 | Very low | 33.1 | Very low | 148 Ų | 148 | 124.9 Ų | 124.9 | 56% | 0.558 | 66% | 0.659 | S | S | * | * | trans | 79.5 | 31.6 | 167 | -46.1 | 175.3 | -178.6 | -174.7 | -0.7 | 120.2 | S1775 | S1775-R2001 PolarHBondContact O-NH1 3Š| ||
| 2002 | I | 34.2 | Very low | 32.7 | Very low | 148 Ų | 148 | 130.8 Ų | 130.8 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | trans | -126.1 | 93.4 | 155.5 | -52.6 | -179.2 | 0 | 0 | 0 | 109.8 | ||||
| 2003 | A | 28.2 | Very low | 32.2 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -149.9 | -19.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 2004 | N | 28.9 | Very low | 31.6 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 85% | 0.845 | 72% | 0.722 | S | S | * | * | trans | -130.7 | 93.5 | -173.9 | -79.3 | -38.2 | 0 | 0 | 0 | 111.3 | ||||
| 2005 | L | 33.2 | Very low | 31.1 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | trans | -155.8 | 65.3 | 172.9 | -117.2 | 167.6 | 0 | 0 | 0 | 112 | ||||
| 2006 | T | 28 | Very low | 31.2 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 87% | 0.871 | 75% | 0.745 | S | S | * | * | trans | -129.3 | 78.6 | 178.9 | 52.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2007 | S | 30.2 | Very low | 31.3 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | -155.2 | 133 | 170.8 | 53.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2008 | R | 30.7 | Very low | 32.2 | Very low | 251 Ų | 251 | 138 Ų | 138 | 95% | 0.947 | 74% | 0.74 | S | S | * | * | trans | -82.4 | 137.3 | 179.7 | -61.5 | 173.8 | 176.1 | 174.9 | -3.3 | 111.4 | ||||
| 2009 | I | 32.1 | Very low | 33.2 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | -140.4 | 142.6 | 166.1 | -66.5 | -172.1 | 0 | 0 | 0 | 107.5 | ||||
| 2010 | P | 28.8 | Very low | 34.7 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | trans | -86.7 | 174.3 | -163.3 | 34.9 | -37.8 | 0 | 0 | 0 | 115.5 | ||||
| 2011 | W | 33.3 | Very low | 36 | Very low | 219 Ų | 219 | 132.3 Ų | 132.3 | 83% | 0.83 | 71% | 0.708 | S | S | * | * | trans | -89.7 | 145.9 | 177.7 | -67.5 | 21.7 | 0 | 0 | 0 | 112.2 | ||||
| 2012 | P | 29.5 | Very low | 37.5 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 84% | 0.844 | 69% | 0.694 | S | S | * | * | -121.8 | 179.1 | 126.2 | 33.9 | -25.8 | 0 | 0 | 0 | 111.8 | |||||
| 2013 | S | 28.7 | Very low | 39 | Very low | 92 Ų | 92 | 123.3 Ų | 123.3 | 64% | 0.643 | 67% | 0.667 | S | S | * | * | trans | -117 | 168 | -156.5 | 54.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 2014 | Y | 27.9 | Very low | 40.9 | Very low | 229 Ų | 229 | 121.5 Ų | 121.5 | 90% | 0.898 | 65% | 0.645 | S | S | * | * | trans | 86.3 | 108.4 | 171.7 | -62.7 | -75.6 | 0 | 0 | 0 | 118.4 | ||||
| 2015 | G | 32.4 | Very low | 42.7 | Very low | 43 Ų | 43 | 116.7 Ų | 116.7 | 44% | 0.443 | 62% | 0.621 | S | S | . | * | trans | -145.5 | 154.2 | 158 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 2016 | P | 39.1 | Very low | 44.5 | Very low | 71 Ų | 71 | 109 Ų | 109 | 46% | 0.461 | 58% | 0.581 | S | S | . | * | trans | -83.1 | 161 | -148 | 30.9 | -37.6 | 0 | 0 | 0 | 116.2 | Y1904 V2018 | Y1904-P2016 WeakPolarHBondContact OH-CD 3.47Å; Y1904-P2016 WeakPolarHBondContact OH-CG 3.19Å; P2016-V2018 PolarHBondContact O-N 3.1Å | ||
| 2017 | T | 40.1 | Very low | 46.7 | Very low | 136 Ų | 136 | 102.6 Ų | 102.6 | 83% | 0.834 | 54% | 0.541 | S | S | * | . | trans | -66.5 | 91.7 | 162.2 | 49.1 | 0 | 0 | 0 | 0 | 110.2 | H2019 | T2017-H2019 PolarHBondContact O-N 3.06Š| ||
| 2018 | V | 48.4 | Very low | 48.6 | Very low | 58 Ų | 58 | 102.5 Ų | 102.5 | 35% | 0.352 | 53% | 0.532 | S | S | . | . | trans | -54.1 | 130.5 | 165.8 | 173.5 | 0 | 0 | 0 | 0 | 108.6 | P2016 S2020 F2022 F2023 | P2016-V2018 PolarHBondContact O-N 3.1Å; V2018-S2020 PolarHBondContact O-N 2.87Å; V2018-F2022 HydrophobicContact CG1-CB 4.19Å; V2018-F2022 HydrophobicContact CG1-CD1 3.73Å; V2018-F2022 HydrophobicContact CG1-CG 4.29Å; V2018-F2023 HydrophobicContact CB-CE2 3.71Å; V2018-F2023 HydrophobicContact CB-CZ 4.27Å; V2018-F2023 HydrophobicContact CG1-CD2 4.08Å; V2018-F2023 HydrophobicContact CG1-CE2 3.69Å; V2018-F2023 HydrophobicContact CG1-CZ 4.32Å | ||
| 2019 | H | 52.5 | Low | 50.7 | Low | 126 Ų | 126 | 91.2 Ų | 91.2 | 58% | 0.583 | 49% | 0.491 | S | S | * | . | trans | -53 | 133.4 | -176.5 | -102.2 | -125 | 0 | 0 | 0 | 111 | T2017 E2021 F2022 F2023 | T2017-H2019 PolarHBondContact O-N 3.06Å; H2019-E2021 HydrophobicContact CB-CB 4.46Å; H2019-E2021 IonicContact CE1-OE2 3.01Å; H2019-E2021 IonicContact CG-OE2 2.65Å; H2019-E2021 IonicContact ND1-OE2 3.29Å; H2019-E2021 PolarHBondContact ND1-OE2 3.02Å; H2019-E2021 PolarHBondContact O-N 3.41Å; H2019-E2021 VanDerWaalsContact O-N 3.14Å; H2019-F2022 WeakPolarHBondContact O-CB 3.29Å; H2019-F2022 PolarHBondContact O-N 3.15Å; H2019-F2023 PolarHBondContact O-N 3.32Å | ||
| 2020 | S | 58.3 | Low | 52.7 | Low | 76 Ų | 76 | 84 Ų | 84 | 53% | 0.531 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.9 | -27.5 | 174.7 | 52.1 | 0 | 0 | 0 | 0 | 112 | V2018 F2023 N2024 | V2018-S2020 PolarHBondContact O-N 2.87Å; S2020-F2023 PolarHBondContact O-N 3.46Å; S2020-N2024 WeakPolarHBondContact O-CB 3.39Å; S2020-N2024 PolarHBondContact O-N 3.43Å; S2020-N2024 PolarHBondContact O-ND2 3.31Å; S2020-N2024 VanDerWaalsContact O-ND2 3.13Å |
| 2021 | E | 57.6 | Low | 54.9 | Low | 120 Ų | 120 | 79 Ų | 79 | 56% | 0.561 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.5 | -42.3 | 172.1 | -66.3 | 162.1 | 139.3 | 0 | 0 | 112.5 | H2019 N2024 T2025 | H2019-E2021 HydrophobicContact CB-CB 4.46Å; H2019-E2021 IonicContact CE1-OE2 3.01Å; H2019-E2021 IonicContact CG-OE2 2.65Å; H2019-E2021 IonicContact ND1-OE2 3.29Å; H2019-E2021 PolarHBondContact ND1-OE2 3.02Å; H2019-E2021 PolarHBondContact O-N 3.41Å; H2019-E2021 VanDerWaalsContact O-N 3.14Å; E2021-N2024 PolarHBondContact O-N 2.83Å; E2021-T2025 WeakPolarHBondContact O-CG2 3.49Å; E2021-T2025 PolarHBondContact O-N 3.39Å; E2021-T2025 PolarHBondContact O-OG1 3.16Å |
| 2022 | F | 65 | Low | 56.9 | Low | 61 Ų | 61 | 69.6 Ų | 69.6 | 27% | 0.268 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 177.3 | 179.2 | -95.7 | 0 | 0 | 0 | 112.1 | Y1972 V2018 H2019 T2025 V2026 | Y1972-F2022 HydrophobicContact CD1-CZ 4.12Å; Y1972-F2022 HydrophobicContact CE1-CE2 4.35Å; Y1972-F2022 AromaticContact CE1-CZ 3.8Å; Y1972-F2022 HydrophobicContact CE1-CZ 3.8Å; V2018-F2022 HydrophobicContact CG1-CB 4.19Å; V2018-F2022 HydrophobicContact CG1-CD1 3.73Å; V2018-F2022 HydrophobicContact CG1-CG 4.29Å; H2019-F2022 WeakPolarHBondContact O-CB 3.29Å; H2019-F2022 PolarHBondContact O-N 3.15Å; F2022-T2025 PolarHBondContact O-OG1 2.62Å; F2022-T2025 VanDerWaalsContact O-OG1 3.1Å; F2022-V2026 HydrophobicContact CD1-CG2 4.37Å; F2022-V2026 HydrophobicContact CE1-CG2 3.99Å; F2022-V2026 HydrophobicContact CE2-CG2 4.15Å; F2022-V2026 HydrophobicContact CZ-CG2 3.87Å; F2022-V2026 WeakPolarHBondContact O-CB 3.28Å; F2022-V2026 VanDerWaalsContact O-CG2 3.28Å; F2022-V2026 WeakPolarHBondContact O-CG2 3.34Å; F2022-V2026 PolarHBondContact O-N 3.05Å |
| 2023 | F | 66.7 | Low | 59.2 | Low | 47 Ų | 47 | 63.4 Ų | 63.4 | 21% | 0.206 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 170.4 | -71.8 | -86.3 | 0 | 0 | 0 | 110.9 | L1976 A1979 V2018 H2019 S2020 V2026 F2027 | L1976-F2023 HydrophobicContact CD2-CD1 3.44Å; L1976-F2023 VanDerWaalsContact CD2-CD1 3.44Å; L1976-F2023 HydrophobicContact CD2-CE1 3.29Å; L1976-F2023 HydrophobicContact CD2-CZ 4.36Å; A1979-F2023 HydrophobicContact CB-CZ 4.42Å; V2018-F2023 HydrophobicContact CB-CE2 3.71Å; V2018-F2023 HydrophobicContact CB-CZ 4.27Å; V2018-F2023 HydrophobicContact CG1-CD2 4.08Å; V2018-F2023 HydrophobicContact CG1-CE2 3.69Å; V2018-F2023 HydrophobicContact CG1-CZ 4.32Å; H2019-F2023 PolarHBondContact O-N 3.32Å; S2020-F2023 PolarHBondContact O-N 3.46Å; F2023-V2026 PolarHBondContact O-N 2.78Å; F2023-F2027 HydrophobicContact CB-CD2 4.41Å; F2023-F2027 HydrophobicContact CB-CE2 4.39Å; F2023-F2027 HydrophobicContact CD1-CE2 4.28Å; F2023-F2027 WeakPolarHBondContact O-CD2 3.41Å; F2023-F2027 PolarHBondContact O-N 3.26Å |
| 2024 | N | 66.8 | Low | 61.5 | Low | 55 Ų | 55 | 59 Ų | 59 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | -179.6 | -71.8 | -30.6 | 0 | 0 | 0 | 112.3 | S2020 E2021 F2027 N2028 H2153 | S2020-N2024 WeakPolarHBondContact O-CB 3.39Å; S2020-N2024 PolarHBondContact O-N 3.43Å; S2020-N2024 PolarHBondContact O-ND2 3.31Å; S2020-N2024 VanDerWaalsContact O-ND2 3.13Å; E2021-N2024 PolarHBondContact O-N 2.83Å; N2024-F2027 PolarHBondContact O-N 2.7Å; N2024-N2028 VanDerWaalsContact O-CB 3.27Å; N2024-N2028 WeakPolarHBondContact O-CB 3.45Å; N2024-N2028 PolarHBondContact O-N 2.82Å; N2024-N2028 PolarHBondContact O-ND2 2.99Å; N2024-H2153 PolarHBondContact OD1-ND1 2.97Å |
| 2025 | T | 68.6 | Low | 63.8 | Low | 57 Ų | 57 | 48.8 Ų | 48.8 | 35% | 0.35 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.2 | -46 | 176.3 | 53.7 | 0 | 0 | 0 | 0 | 111.1 | E2021 F2022 F2027 N2028 L2029 | E2021-T2025 WeakPolarHBondContact O-CG2 3.49Å; E2021-T2025 PolarHBondContact O-N 3.39Å; E2021-T2025 PolarHBondContact O-OG1 3.16Å; F2022-T2025 PolarHBondContact O-OG1 2.62Å; F2022-T2025 VanDerWaalsContact O-OG1 3.1Å; T2025-F2027 PolarHBondContact O-N 2.99Å; T2025-N2028 PolarHBondContact O-N 3.34Å; T2025-L2029 WeakPolarHBondContact O-CB 3.22Å; T2025-L2029 WeakPolarHBondContact O-CD1 3.33Å; T2025-L2029 WeakPolarHBondContact O-CG 3.29Å; T2025-L2029 PolarHBondContact O-N 2.86Å |
| 2026 | V | 70.3 | Confident | 65.8 | Low | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60 | -41.6 | 176.2 | 171.5 | 0 | 0 | 0 | 0 | 111.9 | Y1972 L1976 F2022 F2023 L2029 I2030 | Y1972-V2026 HydrophobicContact CD2-CG1 4.18Å; Y1972-V2026 HydrophobicContact CD2-CG2 4.17Å; Y1972-V2026 HydrophobicContact CE2-CG2 4.08Å; L1976-V2026 HydrophobicContact CD1-CG1 4.28Å; F2022-V2026 HydrophobicContact CD1-CG2 4.37Å; F2022-V2026 HydrophobicContact CE1-CG2 3.99Å; F2022-V2026 HydrophobicContact CE2-CG2 4.15Å; F2022-V2026 HydrophobicContact CZ-CG2 3.87Å; F2022-V2026 WeakPolarHBondContact O-CB 3.28Å; F2022-V2026 VanDerWaalsContact O-CG2 3.28Å; F2022-V2026 WeakPolarHBondContact O-CG2 3.34Å; F2022-V2026 PolarHBondContact O-N 3.05Å; F2023-V2026 PolarHBondContact O-N 2.78Å; V2026-L2029 WeakPolarHBondContact O-CB 3.49Å; V2026-I2030 HydrophobicContact CG1-CD1 3.73Å; V2026-I2030 WeakPolarHBondContact O-CB 3.45Å; V2026-I2030 VanDerWaalsContact O-CD1 3.28Å; V2026-I2030 WeakPolarHBondContact O-CD1 3.4Å; V2026-I2030 WeakPolarHBondContact O-CG1 3.3Å; V2026-I2030 PolarHBondContact O-N 3.3Å |
| 2027 | F | 73.3 | Confident | 67.6 | Low | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72.5 | -34.2 | 175.7 | -73.6 | -58.5 | 0 | 0 | 0 | 113.8 | F2023 N2024 T2025 I2030 Q2031 V2128 L2129 Q2132 | F2023-F2027 HydrophobicContact CB-CD2 4.41Å; F2023-F2027 HydrophobicContact CB-CE2 4.39Å; F2023-F2027 HydrophobicContact CD1-CE2 4.28Å; F2023-F2027 WeakPolarHBondContact O-CD2 3.41Å; F2023-F2027 PolarHBondContact O-N 3.26Å; N2024-F2027 PolarHBondContact O-N 2.7Å; T2025-F2027 PolarHBondContact O-N 2.99Å; F2027-I2030 HydrophobicContact CD1-CD1 4.5Å; F2027-I2030 PolarHBondContact O-N 3.26Å; F2027-Q2031 WeakPolarHBondContact O-CG 3.49Å; F2027-Q2031 PolarHBondContact O-N 2.99Å; F2027-V2128 HydrophobicContact CE1-CG1 4.21Å; F2027-L2129 HydrophobicContact CD1-CD1 4.49Å; F2027-Q2132 HydrophobicContact CE2-CG 4.34Å; F2027-Q2132 HydrophobicContact CZ-CG 3.95Å |
| 2028 | N | 71 | Confident | 69.2 | Low | 100 Ų | 100 | 37 Ų | 37 | 54% | 0.535 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.5 | -41.7 | 174.2 | -73.3 | -17.8 | 0 | 0 | 0 | 111.5 | N2024 T2025 Q2031 C2032 | N2024-N2028 VanDerWaalsContact O-CB 3.27Å; N2024-N2028 WeakPolarHBondContact O-CB 3.45Å; N2024-N2028 PolarHBondContact O-N 2.82Å; N2024-N2028 PolarHBondContact O-ND2 2.99Å; T2025-N2028 PolarHBondContact O-N 3.34Å; N2028-Q2031 PolarHBondContact O-N 3.35Å; N2028-C2032 PolarHBondContact O-N 3.35Å |
| 2029 | L | 74.3 | Confident | 70.3 | Confident | 15 Ų | 15 | 36.2 Ų | 36.2 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -51.5 | -59.5 | 167.3 | -80.3 | 160.2 | 0 | 0 | 0 | 109.4 | E1919 V1922 N1923 T2025 V2026 Q2031 C2032 Q2033 | E1919-L2029 HydrophobicContact CG-CD1 4.48Å; V1922-L2029 HydrophobicContact CG1-CD2 4.14Å; N1923-L2029 WeakPolarHBondContact ND2-CD2 3.29Å; N1923-L2029 WeakPolarHBondContact OD1-CD2 3.5Å; T2025-L2029 WeakPolarHBondContact O-CB 3.22Å; T2025-L2029 WeakPolarHBondContact O-CD1 3.33Å; T2025-L2029 WeakPolarHBondContact O-CG 3.29Å; T2025-L2029 PolarHBondContact O-N 2.86Å; V2026-L2029 WeakPolarHBondContact O-CB 3.49Å; L2029-Q2031 VanDerWaalsContact C-N 3.32Å; L2029-Q2031 PolarHBondContact O-N 2.69Å; L2029-C2032 CarbonylContact O-C 3.58Å; L2029-C2032 WeakPolarHBondContact O-CA 3.03Å; L2029-C2032 VanDerWaalsContact O-CB 3.25Å; L2029-C2032 WeakPolarHBondContact O-CB 3.42Å; L2029-C2032 PolarHBondContact O-N 2.88Å; L2029-Q2033 VanDerWaalsContact O-CG 3.31Å; L2029-Q2033 WeakPolarHBondContact O-CG 3.45Å; L2029-Q2033 PolarHBondContact O-N 2.88Å |
| 2030 | I | 75.4 | Confident | 71.2 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.9 | -37.3 | -176.1 | -72 | 160.8 | 0 | 0 | 0 | 113.3 | L1969 V2026 F2027 C2032 Q2033 I2034 S2125 V2128 L2129 | L1969-I2030 HydrophobicContact CD2-CD1 4.29Å; L1969-I2030 HydrophobicContact CD2-CG1 3.97Å; V2026-I2030 HydrophobicContact CG1-CD1 3.73Å; V2026-I2030 WeakPolarHBondContact O-CB 3.45Å; V2026-I2030 VanDerWaalsContact O-CD1 3.28Å; V2026-I2030 WeakPolarHBondContact O-CD1 3.4Å; V2026-I2030 WeakPolarHBondContact O-CG1 3.3Å; V2026-I2030 PolarHBondContact O-N 3.3Å; F2027-I2030 HydrophobicContact CD1-CD1 4.5Å; F2027-I2030 PolarHBondContact O-N 3.26Å; I2030-C2032 VanDerWaalsContact C-N 3.33Å; I2030-C2032 PolarHBondContact O-N 3.38Å; I2030-Q2033 PolarHBondContact O-N 3.17Å; I2030-I2034 HydrophobicContact CG2-CD1 3.76Å; I2030-I2034 HydrophobicContact CG2-CG1 4.33Å; I2030-I2034 WeakPolarHBondContact O-CG1 3.26Å; I2030-I2034 PolarHBondContact O-N 2.93Å; I2030-S2125 WeakPolarHBondContact CG2-O 3.28Å; I2030-V2128 HydrophobicContact CD1-CB 3.64Å; I2030-V2128 HydrophobicContact CD1-CG1 3.27Å; I2030-V2128 HydrophobicContact CD1-CG2 4.37Å; I2030-L2129 HydrophobicContact CG2-CB 4.38Å; I2030-L2129 HydrophobicContact CG2-CD1 4.08Å |
| 2031 | Q | 74.2 | Confident | 71.8 | Confident | 14 Ų | 14 | 27 Ų | 27 | 7% | 0.065 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.6 | -44.7 | 172.5 | -75.2 | -177.8 | 68.3 | 0 | 0 | 111.4 | F2027 N2028 L2029 I2034 H2035 L2170 | F2027-Q2031 WeakPolarHBondContact O-CG 3.49Å; F2027-Q2031 PolarHBondContact O-N 2.99Å; N2028-Q2031 PolarHBondContact O-N 3.35Å; L2029-Q2031 VanDerWaalsContact C-N 3.32Å; L2029-Q2031 PolarHBondContact O-N 2.69Å; Q2031-I2034 PolarHBondContact O-N 3.4Å; Q2031-H2035 VanDerWaalsContact O-CB 3.3Å; Q2031-H2035 WeakPolarHBondContact O-CB 3.46Å; Q2031-H2035 PolarHBondContact O-N 3.23Å; Q2031-L2170 HydrophobicContact CB-CB 4.46Å; Q2031-L2170 HydrophobicContact CG-CB 4.07Å |
| 2032 | C | 74.4 | Confident | 72 | Confident | 20 Ų | 20 | 23.8 Ų | 23.8 | 14% | 0.135 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 173.5 | -168.9 | 0 | 0 | 0 | 0 | 112.2 | N2028 L2029 I2030 I2034 H2035 C2036 | N2028-C2032 PolarHBondContact O-N 3.35Å; L2029-C2032 CarbonylContact O-C 3.58Å; L2029-C2032 WeakPolarHBondContact O-CA 3.03Å; L2029-C2032 VanDerWaalsContact O-CB 3.25Å; L2029-C2032 WeakPolarHBondContact O-CB 3.42Å; L2029-C2032 PolarHBondContact O-N 2.88Å; I2030-C2032 VanDerWaalsContact C-N 3.33Å; I2030-C2032 PolarHBondContact O-N 3.38Å; C2032-I2034 PolarHBondContact O-N 3.46Å; C2032-H2035 WeakPolarHBondContact O-CB 3.37Å; C2032-H2035 PolarHBondContact O-N 3.25Å; C2032-C2036 PolarHBondContact O-N 3.12Å; C2032-C2036 PolarHBondContact O-SG 3Å |
| 2033 | Q | 78.9 | Confident | 71.7 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 177.6 | -55.3 | -75 | -75.8 | 0 | 0 | 111.5 | V1922 L2029 I2030 C2036 C2037 H2121 | V1922-Q2033 HydrophobicContact CG1-CG 4.32Å; V1922-Q2033 PolarHBondContact O-NE2 2.99Å; V1922-Q2033 PolarHBondContact O-OE1 3.04Å; L2029-Q2033 VanDerWaalsContact O-CG 3.31Å; L2029-Q2033 WeakPolarHBondContact O-CG 3.45Å; L2029-Q2033 PolarHBondContact O-N 2.88Å; I2030-Q2033 PolarHBondContact O-N 3.17Å; Q2033-C2036 PolarHBondContact O-N 3.42Å; Q2033-C2037 PolarHBondContact O-N 3.4Å; Q2033-C2037 PolarHBondContact O-SG 3.09Å; Q2033-H2121 PolarHBondContact OE1-NE2 2.98Å |
| 2034 | I | 76.7 | Confident | 70.8 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.1 | -38.4 | 178 | -63.3 | 167.7 | 0 | 0 | 0 | 110.9 | I2030 Q2031 C2032 C2037 S2038 L2122 L2126 L2129 L2170 L2175 L2178 | I2030-I2034 HydrophobicContact CG2-CD1 3.76Å; I2030-I2034 HydrophobicContact CG2-CG1 4.33Å; I2030-I2034 WeakPolarHBondContact O-CG1 3.26Å; I2030-I2034 PolarHBondContact O-N 2.93Å; Q2031-I2034 PolarHBondContact O-N 3.4Å; C2032-I2034 PolarHBondContact O-N 3.46Å; I2034-C2037 WeakPolarHBondContact O-CB 3.32Å; I2034-C2037 PolarHBondContact O-N 3.35Å; I2034-S2038 PolarHBondContact O-N 3.44Å; I2034-L2122 HydrophobicContact CG1-CD1 4.47Å; I2034-L2122 HydrophobicContact CG2-CD1 4.38Å; I2034-L2126 HydrophobicContact CD1-CD2 4.1Å; I2034-L2129 HydrophobicContact CD1-CB 4.47Å; I2034-L2129 HydrophobicContact CD1-CD1 4.48Å; I2034-L2129 HydrophobicContact CD1-CD2 4.28Å; I2034-L2170 HydrophobicContact CB-CD1 4.24Å; I2034-L2170 HydrophobicContact CG2-CD1 3.75Å; I2034-L2175 HydrophobicContact CG2-CD2 4.31Å; I2034-L2178 HydrophobicContact CG2-CD1 4.28Å |
| 2035 | H | 75.9 | Confident | 69.8 | Low | 15 Ų | 15 | 27 Ų | 27 | 7% | 0.069 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 174.5 | -177 | -103.6 | 0 | 0 | 0 | 112.2 | Y1930 Q2031 C2032 C2037 S2038 I2039 | Y1930-H2035 PolarHBondContact OH-CE1 2.86Å; Y1930-H2035 PolarHBondContact OH-ND1 2.88Å; Q2031-H2035 VanDerWaalsContact O-CB 3.3Å; Q2031-H2035 WeakPolarHBondContact O-CB 3.46Å; Q2031-H2035 PolarHBondContact O-N 3.23Å; C2032-H2035 WeakPolarHBondContact O-CB 3.37Å; C2032-H2035 PolarHBondContact O-N 3.25Å; H2035-C2037 VanDerWaalsContact C-N 3.34Å; H2035-C2037 PolarHBondContact O-N 3.13Å; H2035-S2038 PolarHBondContact O-N 3.44Å; H2035-S2038 PolarHBondContact O-OG 3.28Å; H2035-I2039 PolarHBondContact O-N 3.43Å |
| 2036 | C | 74.3 | Confident | 68.9 | Low | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61 | -44.3 | 174.8 | -64.9 | 0 | 0 | 0 | 0 | 111.5 | W1925 C1926 L1929 C2032 Q2033 S2038 I2039 L2040 | W1925-C2036 HydrophobicContact CH2-CB 3.87Å; W1925-C2036 HydrophobicContact CZ2-CB 4.37Å; W1925-C2036 HydrophobicContact CZ3-CB 4.49Å; C1926-C2036 PolarHBondContact SG-SG 3.04Å; L1929-C2036 HydrophobicContact CD1-CB 4.35Å; C2032-C2036 PolarHBondContact O-N 3.12Å; C2032-C2036 PolarHBondContact O-SG 3Å; Q2033-C2036 PolarHBondContact O-N 3.42Å; C2036-S2038 PolarHBondContact O-N 2.84Å; C2036-I2039 PolarHBondContact O-N 3.1Å; C2036-L2040 WeakPolarHBondContact O-CG 3.38Å; C2036-L2040 PolarHBondContact O-N 3.09Å |
| 2037 | C | 76.7 | Confident | 67.3 | Low | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.3 | -47.4 | 174.4 | -70.1 | 0 | 0 | 0 | 0 | 111.9 | Q2033 I2034 H2035 I2039 L2040 F2041 L2122 | Q2033-C2037 PolarHBondContact O-N 3.4Å; Q2033-C2037 PolarHBondContact O-SG 3.09Å; I2034-C2037 WeakPolarHBondContact O-CB 3.32Å; I2034-C2037 PolarHBondContact O-N 3.35Å; H2035-C2037 VanDerWaalsContact C-N 3.34Å; H2035-C2037 PolarHBondContact O-N 3.13Å; C2037-I2039 VanDerWaalsContact C-N 3.34Å; C2037-I2039 PolarHBondContact O-N 3.35Å; C2037-L2040 PolarHBondContact O-N 2.77Å; C2037-L2040 VanDerWaalsContact O-N 3.13Å; C2037-F2041 HydrophobicContact CB-CD2 4.21Å; C2037-F2041 HydrophobicContact CB-CE2 3.98Å; C2037-F2041 WeakPolarHBondContact O-CD2 3.45Å; C2037-F2041 PolarHBondContact O-N 3.36Å; C2037-L2122 HydrophobicContact CB-CB 4.49Å; C2037-L2122 HydrophobicContact CB-CD1 3.99Å |
| 2038 | S | 73.6 | Confident | 65.5 | Low | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60 | -41.9 | -176.8 | 77.3 | 0 | 0 | 0 | 0 | 112.8 | I2034 H2035 C2036 L2040 F2041 Q2042 | I2034-S2038 PolarHBondContact O-N 3.44Å; H2035-S2038 PolarHBondContact O-N 3.44Å; H2035-S2038 PolarHBondContact O-OG 3.28Å; C2036-S2038 PolarHBondContact O-N 2.84Å; S2038-L2040 VanDerWaalsContact C-N 3.33Å; S2038-L2040 PolarHBondContact O-N 2.86Å; S2038-F2041 PolarHBondContact O-N 3.07Å; S2038-Q2042 WeakPolarHBondContact O-CG 3.23Å; S2038-Q2042 PolarHBondContact O-N 3.15Å; S2038-Q2042 VanDerWaalsContact O-N 3.12Å |
| 2039 | I | 71.5 | Confident | 63.9 | Low | 40 Ų | 40 | 40.6 Ų | 40.6 | 21% | 0.205 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 176.1 | -66.4 | 168.8 | 0 | 0 | 0 | 110.9 | H2035 C2036 C2037 | H2035-I2039 PolarHBondContact O-N 3.43Å; C2036-I2039 PolarHBondContact O-N 3.1Å; C2037-I2039 VanDerWaalsContact C-N 3.34Å; C2037-I2039 PolarHBondContact O-N 3.35Å |
| 2040 | L | 71.1 | Confident | 61.8 | Low | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.7 | -36.8 | -178.6 | -65.2 | 167.7 | 0 | 0 | 0 | 112.7 | W1925 L1929 T1948 L1951 L1957 C2036 C2037 S2038 L2118 | W1925-L2040 HydrophobicContact CH2-CD1 4.36Å; W1925-L2040 HydrophobicContact CZ3-CD1 3.8Å; L1929-L2040 HydrophobicContact CD1-CD1 4.3Å; L1929-L2040 HydrophobicContact CD1-CD2 4.48Å; L1929-L2040 HydrophobicContact CD2-CD2 4.46Å; T1948-L2040 HydrophobicContact CG2-CB 4.24Å; T1948-L2040 HydrophobicContact CG2-CD2 4.01Å; T1948-L2040 PolarHBondContact OG1-O 3.24Å; L1951-L2040 HydrophobicContact CD1-CD2 4.49Å; L1957-L2040 HydrophobicContact CD1-CD2 4.05Å; C2036-L2040 WeakPolarHBondContact O-CG 3.38Å; C2036-L2040 PolarHBondContact O-N 3.09Å; C2037-L2040 PolarHBondContact O-N 2.77Å; C2037-L2040 VanDerWaalsContact O-N 3.13Å; S2038-L2040 VanDerWaalsContact C-N 3.33Å; S2038-L2040 PolarHBondContact O-N 2.86Å; L2040-L2118 HydrophobicContact CB-CD2 4.14Å; L2040-L2118 HydrophobicContact CD1-CD1 4.02Å; L2040-L2118 HydrophobicContact CD1-CD2 4.26Å |
| 2041 | F | 70.9 | Confident | 59.6 | Low | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -75.3 | -29.4 | 178.3 | -72.2 | -66.9 | 0 | 0 | 0 | 113.8 | C2037 S2038 F2115 L2118 I2119 L2122 | C2037-F2041 HydrophobicContact CB-CD2 4.21Å; C2037-F2041 HydrophobicContact CB-CE2 3.98Å; C2037-F2041 WeakPolarHBondContact O-CD2 3.45Å; C2037-F2041 PolarHBondContact O-N 3.36Å; S2038-F2041 PolarHBondContact O-N 3.07Å; F2041-F2115 AromaticContact CD1-CE2 3.74Å; F2041-F2115 HydrophobicContact CD1-CE2 3.74Å; F2041-F2115 HydrophobicContact CD1-CZ 4.17Å; F2041-F2115 HydrophobicContact CE1-CD2 4.21Å; F2041-F2115 AromaticContact CE1-CE2 3.42Å; F2041-F2115 HydrophobicContact CE1-CE2 3.42Å; F2041-F2115 VanDerWaalsContact CE1-CE2 3.42Å; F2041-F2115 AromaticContact CE1-CZ 3.76Å; F2041-F2115 HydrophobicContact CE1-CZ 3.76Å; F2041-L2118 HydrophobicContact CE1-CD2 4.13Å; F2041-L2118 HydrophobicContact CE2-CD2 4.08Å; F2041-L2118 HydrophobicContact CE2-CG 4.15Å; F2041-L2118 HydrophobicContact CZ-CB 4.43Å; F2041-L2118 HydrophobicContact CZ-CD2 3.75Å; F2041-L2118 HydrophobicContact CZ-CG 3.84Å; F2041-I2119 HydrophobicContact CE1-CD1 4.36Å; F2041-I2119 HydrophobicContact CE1-CG1 3.78Å; F2041-I2119 HydrophobicContact CZ-CG1 3.67Å; F2041-L2122 HydrophobicContact CD2-CD2 4.18Å; F2041-L2122 HydrophobicContact CE2-CB 4.41Å; F2041-L2122 HydrophobicContact CE2-CD2 3.56Å; F2041-L2122 HydrophobicContact CZ-CD2 4.18Å |
| 2042 | Q | 62.5 | Low | 57.9 | Low | 53 Ų | 53 | 52.9 Ų | 52.9 | 25% | 0.248 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.6 | -27 | -178.9 | -78.8 | -166.8 | -107.4 | 0 | 0 | 114.7 | S2038 H2044 T2177 | S2038-Q2042 WeakPolarHBondContact O-CG 3.23Å; S2038-Q2042 PolarHBondContact O-N 3.15Å; S2038-Q2042 VanDerWaalsContact O-N 3.12Å; Q2042-H2044 PolarHBondContact O-N 2.88Å; Q2042-T2177 PolarHBondContact OE1-OG1 3.44Å |
| 2043 | R | 58.7 | Low | 56 | Low | 82 Ų | 82 | 55.8 Ų | 55.8 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -80.6 | 84.7 | -175.5 | -68.7 | -177.4 | -178.1 | 147.7 | 4.5 | 111.8 | G2045 | R2043-G2045 PolarHBondContact O-N 3.26Š|
| 2044 | H | 47.4 | Very low | 54.1 | Low | 122 Ų | 122 | 60.3 Ų | 60.3 | 57% | 0.565 | 31% | 0.309 | S | S | * | . | trans | -61.4 | 85.8 | -175.2 | -71.7 | -16.8 | 0 | 0 | 0 | 115.1 | Q2042 | Q2042-H2044 PolarHBondContact O-N 2.88Š| ||
| 2045 | G | 46.9 | Very low | 51.8 | Low | 26 Ų | 26 | 66.2 Ų | 66.2 | 27% | 0.268 | 35% | 0.35 | S | S | . | . | trans | -101.4 | -15.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116 | R2043 K2047 | R2043-G2045 PolarHBondContact O-N 3.26Å; G2045-K2047 PolarHBondContact O-N 2.91Å | ||
| 2046 | F | 50.2 | Low | 49.5 | Very low | 60 Ų | 60 | 67.8 Ų | 67.8 | 26% | 0.263 | 37% | 0.37 | S | S | . | . | trans | -72 | 85.3 | -169.4 | -51.3 | -76.8 | 0 | 0 | 0 | 113.4 | F2115 | F2046-F2115 HydrophobicContact CE1-CD2 4.19Å; F2046-F2115 HydrophobicContact CE2-CE2 4.28Å; F2046-F2115 AromaticContact CZ-CD2 3.9Å; F2046-F2115 HydrophobicContact CZ-CD2 3.9Å; F2046-F2115 AromaticContact CZ-CE2 3.99Å; F2046-F2115 HydrophobicContact CZ-CE2 3.99Å | ||
| 2047 | K | 35 | Very low | 47.2 | Very low | 194 Ų | 194 | 71.5 Ų | 71.5 | 84% | 0.843 | 40% | 0.396 | S | S | * | . | trans | -92.6 | 127.9 | 170.2 | -80 | -176.5 | 175.5 | 177 | 0 | 111 | G2045 | G2045-K2047 PolarHBondContact O-N 2.91Š| ||
| 2048 | S | 36 | Very low | 44.9 | Very low | 98 Ų | 98 | 77 Ų | 77 | 69% | 0.685 | 42% | 0.422 | S | S | * | . | trans | 44.5 | 91.3 | 166.6 | 55.2 | 0 | 0 | 0 | 0 | 117 | K2050 | S2048-K2050 PolarHBondContact O-N 2.8Š| ||
| 2049 | F | 37 | Very low | 42.6 | Very low | 102 Ų | 102 | 84 Ų | 84 | 45% | 0.447 | 46% | 0.457 | S | S | . | . | trans | -54.6 | 122.1 | 154.6 | -66.2 | -81.6 | 0 | 0 | 0 | 109.6 | E2109 | F2049-E2109 WeakPolarHBondContact CA-OE1 3.29Š| ||
| 2050 | K | 30.5 | Very low | 40.4 | Very low | 172 Ų | 172 | 85.5 Ų | 85.5 | 75% | 0.748 | 47% | 0.468 | S | S | * | . | trans | -152.6 | 60 | 180 | -103 | -153 | 173.1 | -163.2 | 0 | 112.1 | S2048 E2109 | S2048-K2050 PolarHBondContact O-N 2.8Å; K2050-E2109 PolarHBondContact N-OE1 3.17Å | ||
| 2051 | S | 29.3 | Very low | 38.3 | Very low | 68 Ų | 68 | 91.2 Ų | 91.2 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | trans | 54.7 | 92 | 151.4 | 55.5 | 0 | 0 | 0 | 0 | 116 | E2109 | S2051-E2109 WeakPolarHBondContact CA-OE2 3.1Å; S2051-E2109 VanDerWaalsContact N-CD 3.27Å; S2051-E2109 PolarHBondContact N-OE1 2.98Å; S2051-E2109 VanDerWaalsContact N-OE1 3.13Å; S2051-E2109 PolarHBondContact N-OE2 3.41Å; S2051-E2109 VanDerWaalsContact N-OE2 3.17Å | ||
| 2052 | V | 39.9 | Very low | 36.2 | Very low | 46 Ų | 46 | 94.9 Ų | 94.9 | 28% | 0.279 | 53% | 0.529 | S | S | . | . | trans | -129.5 | 131 | 152 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | E2109 | V2052-E2109 HydrophobicContact CB-CB 4.16Å; V2052-E2109 HydrophobicContact CB-CG 4.2Å; V2052-E2109 HydrophobicContact CG2-CG 4.21Å; V2052-E2109 PolarHBondContact N-OE2 2.91Å | ||
| 2053 | P | 34.3 | Very low | 34.5 | Very low | 82 Ų | 82 | 95.4 Ų | 95.4 | 53% | 0.532 | 53% | 0.53 | S | S | . | . | trans | -80 | 147.4 | 179.9 | 31.4 | -34.6 | 0 | 0 | 0 | 111.7 | E2104 | P2053-E2104 WeakPolarHBondContact CD-OE2 3.43Å; P2053-E2104 WeakPolarHBondContact CG-OE2 3.33Å | ||
| 2054 | I | 38.3 | Very low | 32.9 | Very low | 94 Ų | 94 | 96.4 Ų | 96.4 | 48% | 0.482 | 55% | 0.55 | S | S | . | . | trans | -120.6 | 114.8 | 172 | -61.1 | 176.8 | 0 | 0 | 0 | 108.8 | L2113 | I2054-L2113 HydrophobicContact CB-CD1 4.47Å; I2054-L2113 HydrophobicContact CD1-CD1 3.99Å; I2054-L2113 HydrophobicContact CG2-CD1 4.08Å | ||
| 2055 | S | 27.4 | Very low | 31.8 | Very low | 125 Ų | 125 | 94.3 Ų | 94.3 | 87% | 0.874 | 56% | 0.561 | S | S | * | * | trans | -90.1 | 128.5 | 162.2 | 49.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2056 | G | 28.4 | Very low | 30.8 | Very low | 47 Ų | 47 | 98.6 Ų | 98.6 | 49% | 0.485 | 58% | 0.577 | S | S | . | * | trans | 109.9 | 136.3 | -165.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2057 | S | 26 | Very low | 29.4 | Very low | 79 Ų | 79 | 100.1 Ų | 100.1 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | cis | -148 | 174.5 | 3.6 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2058 | H | 28.7 | Very low | 28.8 | Very low | 117 Ų | 117 | 97.4 Ų | 97.4 | 54% | 0.542 | 60% | 0.595 | S | S | . | * | trans | 49.3 | 89.6 | 164.9 | -44.2 | -60.1 | 0 | 0 | 0 | 118.8 | ||||
| 2059 | I | 26 | Very low | 28.3 | Very low | 147 Ų | 147 | 101 Ų | 101 | 75% | 0.754 | 60% | 0.601 | S | S | * | * | S | Bend | -164.6 | 150.3 | 108.6 | -92.2 | 153.3 | 0 | 0 | 0 | 107.6 | P2061 | I2059-P2061 WeakPolarHBondContact O-CD 3.36Š| |
| 2060 | T | 25.4 | Very low | 27.6 | Very low | 72 Ų | 72 | 101.2 Ų | 101.2 | 44% | 0.442 | 62% | 0.616 | S | S | . | * | trans | -39.1 | 113.7 | -172.5 | 50.6 | 0 | 0 | 0 | 0 | 115.6 | T2062 | T2060-T2062 PolarHBondContact O-N 3.25Š| ||
| 2061 | P | 26.2 | Very low | 27.4 | Very low | 123 Ų | 123 | 99 Ų | 99 | 80% | 0.799 | 61% | 0.61 | S | S | * | * | trans | -88.1 | 103.3 | 172.5 | 33.1 | -30.4 | 0 | 0 | 0 | 111.1 | I2059 | I2059-P2061 WeakPolarHBondContact O-CD 3.36Š| ||
| 2062 | T | 26.8 | Very low | 27.1 | Very low | 83 Ų | 83 | 100.6 Ų | 100.6 | 51% | 0.509 | 62% | 0.622 | S | S | . | * | trans | -79.5 | 143.4 | 168.8 | 75.3 | 0 | 0 | 0 | 0 | 109.2 | D1723 T2060 S2064 | D1723-T2062 HydrophobicContact CB-CG2 3.99Å; D1723-T2062 WeakPolarHBondContact OD1-CG2 3.41Å; D1723-T2062 VanDerWaalsContact OD2-CG2 3.28Å; D1723-T2062 WeakPolarHBondContact OD2-CG2 3.32Å; T2060-T2062 PolarHBondContact O-N 3.25Å; T2062-S2064 PolarHBondContact O-N 3.01Å | ||
| 2063 | K | 26.7 | Very low | 26.4 | Very low | 65 Ų | 65 | 102.7 Ų | 102.7 | 28% | 0.283 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -71.1 | 128.8 | -167.6 | -89.3 | -165.5 | -179.9 | -173.2 | 0 | 113.7 | S1663 S1667 F1720 | S1663-K2063 PolarHBondContact O-NZ 3.36Å; S1667-K2063 PolarHBondContact OG-NZ 3.47Å; F1720-K2063 HydrophobicContact CE2-CD 3.85Å; F1720-K2063 HydrophobicContact CE2-CG 4.05Å; F1720-K2063 HydrophobicContact CZ-CD 3.79Å; F1720-K2063 HydrophobicContact CZ-CG 4.45Å |
| 2064 | S | 23.9 | Very low | 26.5 | Very low | 102 Ų | 102 | 102 Ų | 102 | 71% | 0.713 | 63% | 0.634 | S | S | * | * | 170.8 | 150.6 | 112.1 | 47.9 | 0 | 0 | 0 | 0 | 112.4 | T2062 | T2062-S2064 PolarHBondContact O-N 3.01Š| |||
| 2065 | G | 24.8 | Very low | 25.9 | Very low | 78 Ų | 78 | 103 Ų | 103 | 80% | 0.804 | 65% | 0.65 | S | S | * | * | trans | 141.5 | 99.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2066 | I | 25.5 | Very low | 25.8 | Very low | 116 Ų | 116 | 98.4 Ų | 98.4 | 60% | 0.595 | 62% | 0.622 | S | S | * | * | trans | -97.6 | 129.3 | -177.1 | -65.2 | 151.8 | 0 | 0 | 0 | 110.7 | L1670 N1671 | L1670-I2066 HydrophobicContact CB-CD1 4.18Å; N1671-I2066 WeakPolarHBondContact OD1-CD1 3.45Å | ||
| 2067 | A | 22.2 | Very low | 25.9 | Very low | 93 Ų | 93 | 101.8 Ų | 101.8 | 77% | 0.769 | 63% | 0.633 | S | S | * | * | trans | -162.1 | 107.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2068 | N | 22.6 | Very low | 26.1 | Very low | 136 Ų | 136 | 104.5 Ų | 104.5 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | trans | 38.7 | 99.8 | 152.6 | -69.9 | -32.9 | 0 | 0 | 0 | 120.9 | K1612 | K1612-N2068 PolarHBondContact NZ-OD1 3.31Š| ||
| 2069 | Q | 24.2 | Very low | 25.9 | Very low | 173 Ų | 173 | 105.1 Ų | 105.1 | 81% | 0.808 | 65% | 0.653 | S | S | * | * | trans | -74 | 140.6 | 131.3 | -72.3 | 179 | -14.3 | 0 | 0 | 109.9 | K1612 | K1612-Q2069 PolarHBondContact NZ-O 3.47Š| ||
| 2070 | S | 22.6 | Very low | 25.9 | Very low | 108 Ų | 108 | 103.2 Ų | 103.2 | 76% | 0.755 | 65% | 0.653 | S | S | * | * | trans | -114.3 | 131.8 | 168 | 53.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 2071 | I | 26.1 | Very low | 25.9 | Very low | 124 Ų | 124 | 106 Ų | 106 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | trans | -75.4 | 128.2 | -176.6 | -60.5 | 167.4 | 0 | 0 | 0 | 110.7 | K1612 | K1612-I2071 HydrophobicContact CB-CD1 4.19Š| ||
| 2072 | S | 23.8 | Very low | 25.9 | Very low | 102 Ų | 102 | 107 Ų | 107 | 71% | 0.713 | 67% | 0.668 | S | S | * | * | trans | -142.3 | 101 | 142 | 54.6 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 2073 | S | 24.3 | Very low | 26.1 | Very low | 90 Ų | 90 | 108.1 Ų | 108.1 | 63% | 0.629 | 68% | 0.676 | S | S | * | * | 53.7 | 120 | 75.9 | 76.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 2074 | P | 36.5 | Very low | 26.1 | Very low | 69 Ų | 69 | 113.2 Ų | 113.2 | 45% | 0.448 | 70% | 0.698 | S | S | . | * | trans | -80.9 | 178.7 | -162.7 | 34.6 | -38.3 | 0 | 0 | 0 | 113.1 | D1530 D1531 | D1530-P2074 HydrophobicContact CB-CG 4.4Å; D1531-P2074 WeakPolarHBondContact OD1-CB 3.32Å | ||
| 2075 | S | 25.4 | Very low | 26.1 | Very low | 115 Ų | 115 | 114.1 Ų | 114.1 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | -152.4 | 103.3 | 158.1 | -49.2 | 0 | 0 | 0 | 0 | 109.2 | T2077 | S2075-T2077 PolarHBondContact O-N 2.74Š| ||
| 2076 | G | 25.6 | Very low | 26.2 | Very low | 28 Ų | 28 | 115.2 Ų | 115.2 | 29% | 0.289 | 69% | 0.691 | S | S | . | * | trans | -61.4 | 128.5 | 150.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | D1534 | D1534-G2076 WeakPolarHBondContact OD2-CA 3.23Å; D1534-G2076 PolarHBondContact OD2-N 3.45Å | ||
| 2077 | T | 30.9 | Very low | 26.3 | Very low | 117 Ų | 117 | 116.6 Ų | 116.6 | 72% | 0.718 | 70% | 0.699 | S | S | * | * | trans | -9.8 | 125 | 155.8 | -17.3 | 0 | 0 | 0 | 0 | 116.1 | S2075 | S2075-T2077 PolarHBondContact O-N 2.74Š| ||
| 2078 | L | 30.7 | Very low | 26.4 | Very low | 137 Ų | 137 | 118.1 Ų | 118.1 | 72% | 0.717 | 69% | 0.693 | S | S | * | * | -177 | 155.6 | 101.7 | -94.2 | 165.5 | 0 | 0 | 0 | 113.3 | |||||
| 2079 | T | 25 | Very low | 26.5 | Very low | 129 Ų | 129 | 117.2 Ų | 117.2 | 79% | 0.791 | 69% | 0.688 | S | S | * | * | trans | -100 | 119.5 | 173.2 | 44 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2080 | S | 24 | Very low | 26.5 | Very low | 108 Ų | 108 | 116.5 Ų | 116.5 | 76% | 0.755 | 69% | 0.685 | S | S | * | * | -177.6 | 143.6 | 121.9 | 40.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 2081 | T | 25.7 | Very low | 26.6 | Very low | 131 Ų | 131 | 116.7 Ų | 116.7 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | trans | 52.4 | 100.8 | 151.1 | 48.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 2082 | L | 27.5 | Very low | 26.4 | Very low | 144 Ų | 144 | 116.4 Ų | 116.4 | 75% | 0.754 | 69% | 0.685 | S | S | * | * | -21.3 | 156.1 | 126.8 | -105.6 | 82 | 0 | 0 | 0 | 115.2 | |||||
| 2083 | P | 30.5 | Very low | 26.4 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 68% | 0.682 | 69% | 0.686 | S | S | * | * | cis | -155.4 | 142.4 | 48.2 | 37.6 | -14.9 | 0 | 0 | 0 | 120.9 | ||||
| 2084 | K | 26 | Very low | 26.3 | Very low | 173 Ų | 173 | 118 Ų | 118 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | trans | 65.7 | 169 | 140.9 | -58.1 | 170.6 | -179.7 | 174.5 | 0 | 116 | ||||
| 2085 | T | 25.1 | Very low | 25.5 | Very low | 121 Ų | 121 | 119.5 Ų | 119.5 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | cis | -158 | 148.9 | 21.5 | 10 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2086 | T | 26.6 | Very low | 25.3 | Very low | 101 Ų | 101 | 122.8 Ų | 122.8 | 62% | 0.62 | 71% | 0.706 | S | S | * | * | cis | -178.9 | 142.5 | -15.8 | 14.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2087 | L | 26.2 | Very low | 25.3 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | 73.1 | 154.8 | 143.5 | -59.7 | 172.2 | 0 | 0 | 0 | 119.5 | ||||
| 2088 | L | 25 | Very low | 24.9 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 65% | 0.654 | 73% | 0.729 | S | S | * | * | cis | -162.3 | 166.3 | -5.8 | -110.7 | 166.8 | 0 | 0 | 0 | 113.6 | ||||
| 2089 | N | 24.2 | Very low | 24.5 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | trans | 69.2 | 152.5 | 147.5 | -75.1 | 2.7 | 0 | 0 | 0 | 120.6 | ||||
| 2090 | E | 24.3 | Very low | 24.4 | Very low | 158 Ų | 158 | 125.3 Ų | 125.3 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | cis | -162 | 166 | -1 | -114.7 | 164.2 | -76.4 | 0 | 0 | 108.6 | ||||
| 2091 | V | 24.5 | Very low | 24.3 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | cis | -175.6 | 178.3 | -36.4 | 69.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 2092 | V | 23.6 | Very low | 24.2 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 71% | 0.709 | 73% | 0.729 | S | S | * | * | trans | 71.9 | 133.9 | 159.9 | 161 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 2093 | T | 22.6 | Very low | 24 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | cis | -162.3 | 160.8 | -8 | 25.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2094 | S | 21.7 | Very low | 23.8 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | 104.1 | 128.4 | 139.2 | 73 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 2095 | S | 20.4 | Very low | 23.9 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | 58.5 | 117.8 | 153.8 | 50.1 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 2096 | H | 20.7 | Very low | 24 | Very low | 185 Ų | 185 | 125.2 Ų | 125.2 | 86% | 0.856 | 73% | 0.731 | S | S | * | * | trans | 24.1 | 153.5 | 134.6 | -58.9 | -58.9 | 0 | 0 | 0 | 122.5 | ||||
| 2097 | P | 26.8 | Very low | 24.4 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | cis | -142.7 | 174.2 | 16.9 | 42.5 | -23.6 | 0 | 0 | 0 | 118.8 | ||||
| 2098 | V | 22.9 | Very low | 24.7 | Very low | 127 Ų | 127 | 120.7 Ų | 120.7 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | trans | 74.2 | 147.8 | 142.9 | 160.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 2099 | T | 20.9 | Very low | 25.7 | Very low | 119 Ų | 119 | 117 Ų | 117 | 73% | 0.73 | 71% | 0.705 | S | S | * | * | trans | 74.4 | 98.9 | 167.5 | 30.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 2100 | S | 22.4 | Very low | 26.6 | Very low | 106 Ų | 106 | 114.9 Ų | 114.9 | 74% | 0.741 | 70% | 0.696 | S | S | * | * | 43.8 | 126 | 124.3 | 61.8 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 2101 | V | 22.8 | Very low | 27.8 | Very low | 133 Ų | 133 | 109 Ų | 109 | 81% | 0.806 | 67% | 0.672 | S | S | * | * | trans | -145 | 165.1 | 155.4 | -151.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2102 | T | 24.2 | Very low | 29.2 | Very low | 129 Ų | 129 | 105 Ų | 105 | 79% | 0.791 | 66% | 0.655 | S | S | * | * | trans | 63.3 | 99.9 | 164.1 | 63.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 2103 | M | 23.4 | Very low | 30.8 | Very low | 190 Ų | 190 | 101.7 Ų | 101.7 | 94% | 0.936 | 63% | 0.633 | S | S | * | * | -160.1 | 116.1 | 109.7 | -128.3 | -153 | 172.4 | 0 | 0 | 113.5 | |||||
| 2104 | E | 25.6 | Very low | 32.6 | Very low | 114 Ų | 114 | 97.5 Ų | 97.5 | 53% | 0.533 | 60% | 0.604 | S | S | . | * | trans | -175.7 | 160.3 | 153.3 | -112.3 | 174.2 | -148.3 | 0 | 0 | 106.4 | P2053 | P2053-E2104 WeakPolarHBondContact CD-OE2 3.43Å; P2053-E2104 WeakPolarHBondContact CG-OE2 3.33Å | ||
| 2105 | S | 28.7 | Very low | 34.8 | Very low | 97 Ų | 97 | 93 Ų | 93 | 68% | 0.678 | 57% | 0.571 | S | S | * | * | cis | -148.1 | 163.7 | 8 | 61.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 2106 | S | 26.5 | Very low | 37.3 | Very low | 117 Ų | 117 | 88.7 Ų | 88.7 | 82% | 0.818 | 54% | 0.54 | S | S | * | . | trans | -175.4 | 112.9 | 142.7 | 63 | 0 | 0 | 0 | 0 | 112 | ||||
| 2107 | G | 35.8 | Very low | 39.7 | Very low | 62 Ų | 62 | 81.4 Ų | 81.4 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | S | Bend | trans | 104.3 | 105 | 153.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||
| 2108 | S | 32.6 | Very low | 42 | Very low | 89 Ų | 89 | 76.8 Ų | 76.8 | 62% | 0.622 | 48% | 0.475 | S | S | * | . | trans | 62 | 101.8 | 148.1 | -153.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 2109 | E | 45.6 | Very low | 44.6 | Very low | 49 Ų | 49 | 70.7 Ų | 70.7 | 23% | 0.229 | 44% | 0.438 | C | S | . | . | trans | -138.4 | 54.9 | 162.2 | -68.8 | -161 | 132.1 | 0 | 0 | 114.1 | F2049 K2050 S2051 V2052 S2111 | F2049-E2109 WeakPolarHBondContact CA-OE1 3.29Å; K2050-E2109 PolarHBondContact N-OE1 3.17Å; S2051-E2109 WeakPolarHBondContact CA-OE2 3.1Å; S2051-E2109 VanDerWaalsContact N-CD 3.27Å; S2051-E2109 PolarHBondContact N-OE1 2.98Å; S2051-E2109 VanDerWaalsContact N-OE1 3.13Å; S2051-E2109 PolarHBondContact N-OE2 3.41Å; S2051-E2109 VanDerWaalsContact N-OE2 3.17Å; V2052-E2109 HydrophobicContact CB-CB 4.16Å; V2052-E2109 HydrophobicContact CB-CG 4.2Å; V2052-E2109 HydrophobicContact CG2-CG 4.21Å; V2052-E2109 PolarHBondContact N-OE2 2.91Å; E2109-S2111 PolarHBondContact O-N 3.46Å | ||
| 2110 | T | 42.8 | Very low | 47.3 | Very low | 70 Ų | 70 | 68.3 Ų | 68.3 | 43% | 0.429 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -35.9 | 178.8 | 50.4 | 0 | 0 | 0 | 0 | 114.3 | G2112 | T2110-G2112 PolarHBondContact O-N 2.85Š|
| 2111 | S | 49.2 | Very low | 50.1 | Low | 34 Ų | 34 | 63.2 Ų | 63.2 | 24% | 0.238 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.3 | -0.7 | -169.5 | 61.1 | 0 | 0 | 0 | 0 | 117 | E2109 F2115 | E2109-S2111 PolarHBondContact O-N 3.46Å; S2111-F2115 VanDerWaalsContact O-CB 3.24Å; S2111-F2115 WeakPolarHBondContact O-CB 3.24Å |
| 2112 | G | 54.6 | Low | 53 | Low | 31 Ų | 31 | 56.9 Ų | 56.9 | 32% | 0.32 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -79.9 | -41.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | T2110 | T2110-G2112 PolarHBondContact O-N 2.85Å |
| 2113 | L | 55.9 | Low | 55.6 | Low | 47 Ų | 47 | 50.9 Ų | 50.9 | 25% | 0.246 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -78.9 | -45.7 | -177 | -82.4 | 165.9 | 0 | 0 | 0 | 111.8 | I2054 F2115 L2116 Y2117 | I2054-L2113 HydrophobicContact CB-CD1 4.47Å; I2054-L2113 HydrophobicContact CD1-CD1 3.99Å; I2054-L2113 HydrophobicContact CG2-CD1 4.08Å; L2113-F2115 PolarHBondContact O-N 3.32Å; L2113-L2116 WeakPolarHBondContact O-CA 3.19Å; L2113-L2116 WeakPolarHBondContact O-CB 3.26Å; L2113-L2116 PolarHBondContact O-N 3.01Å; L2113-Y2117 HydrophobicContact CB-CE2 4.35Å; L2113-Y2117 WeakPolarHBondContact O-CD2 3.36Å; L2113-Y2117 PolarHBondContact O-N 3.48Å |
| 2114 | E | 61.4 | Low | 58.2 | Low | 29 Ų | 29 | 41.8 Ų | 41.8 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55 | -39 | 175.2 | -68.6 | 159.5 | -148.1 | 0 | 0 | 112.2 | I1952 T1959 L2116 Y2117 L2118 | I1952-E2114 WeakPolarHBondContact CB-OE2 3.44Å; I1952-E2114 WeakPolarHBondContact CD1-OE2 3.47Å; I1952-E2114 WeakPolarHBondContact CG1-OE2 3.48Å; I1952-E2114 WeakPolarHBondContact CG2-OE2 3.09Å; T1959-E2114 HydrophobicContact CG2-CG 3.35Å; E2114-L2116 VanDerWaalsContact C-N 3.32Å; E2114-L2116 PolarHBondContact O-N 3.25Å; E2114-Y2117 PolarHBondContact O-N 3.31Å; E2114-L2118 WeakPolarHBondContact O-CB 3.2Å; E2114-L2118 PolarHBondContact O-N 3.41Å |
| 2115 | F | 68.7 | Low | 60.7 | Low | 12 Ų | 12 | 36.4 Ų | 36.4 | 5% | 0.053 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | -36.5 | 175.3 | -173.3 | -100.7 | 0 | 0 | 0 | 112.6 | F2041 F2046 S2111 L2113 I2119 L2185 L2210 | F2041-F2115 AromaticContact CD1-CE2 3.74Å; F2041-F2115 HydrophobicContact CD1-CE2 3.74Å; F2041-F2115 HydrophobicContact CD1-CZ 4.17Å; F2041-F2115 HydrophobicContact CE1-CD2 4.21Å; F2041-F2115 AromaticContact CE1-CE2 3.42Å; F2041-F2115 HydrophobicContact CE1-CE2 3.42Å; F2041-F2115 VanDerWaalsContact CE1-CE2 3.42Å; F2041-F2115 AromaticContact CE1-CZ 3.76Å; F2041-F2115 HydrophobicContact CE1-CZ 3.76Å; F2046-F2115 HydrophobicContact CE1-CD2 4.19Å; F2046-F2115 HydrophobicContact CE2-CE2 4.28Å; F2046-F2115 AromaticContact CZ-CD2 3.9Å; F2046-F2115 HydrophobicContact CZ-CD2 3.9Å; F2046-F2115 AromaticContact CZ-CE2 3.99Å; F2046-F2115 HydrophobicContact CZ-CE2 3.99Å; S2111-F2115 VanDerWaalsContact O-CB 3.24Å; S2111-F2115 WeakPolarHBondContact O-CB 3.24Å; L2113-F2115 PolarHBondContact O-N 3.32Å; F2115-I2119 HydrophobicContact CD1-CD1 3.65Å; F2115-I2119 HydrophobicContact CE1-CD1 3.17Å; F2115-I2119 HydrophobicContact CE1-CG1 4.34Å; F2115-I2119 HydrophobicContact CE2-CD1 4.38Å; F2115-I2119 HydrophobicContact CG-CD1 4.38Å; F2115-I2119 HydrophobicContact CZ-CD1 3.57Å; F2115-I2119 HydrophobicContact CZ-CG1 4.38Å; F2115-I2119 WeakPolarHBondContact O-CD1 3.43Å; F2115-I2119 WeakPolarHBondContact O-CG1 3.34Å; F2115-I2119 PolarHBondContact O-N 2.97Å; F2115-I2119 VanDerWaalsContact O-N 3.07Å; F2115-L2185 HydrophobicContact CE1-CD1 4.14Å; F2115-L2185 HydrophobicContact CE1-CD2 3.55Å; F2115-L2185 HydrophobicContact CE1-CG 4.46Å; F2115-L2185 HydrophobicContact CE2-CD1 3.91Å; F2115-L2185 HydrophobicContact CZ-CD1 3.31Å; F2115-L2185 HydrophobicContact CZ-CD2 3.48Å; F2115-L2185 VanDerWaalsContact CZ-CD2 3.48Å; F2115-L2185 HydrophobicContact CZ-CG 4.01Å; F2115-L2210 HydrophobicContact CD1-CD1 4.08Å; F2115-L2210 HydrophobicContact CD1-CD2 4.32Å; F2115-L2210 HydrophobicContact CE1-CD1 4.29Å |
| 2116 | L | 72.1 | Confident | 63.1 | Low | 11 Ų | 11 | 31.8 Ų | 31.8 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.6 | -41.8 | 173.2 | -176.3 | 149.4 | 0 | 0 | 0 | 111.7 | L2113 E2114 I2119 R2120 L2210 L2213 | L2113-L2116 WeakPolarHBondContact O-CA 3.19Å; L2113-L2116 WeakPolarHBondContact O-CB 3.26Å; L2113-L2116 PolarHBondContact O-N 3.01Å; E2114-L2116 VanDerWaalsContact C-N 3.32Å; E2114-L2116 PolarHBondContact O-N 3.25Å; L2116-I2119 PolarHBondContact O-N 3.32Å; L2116-R2120 HydrophobicContact CD2-CG 4.3Å; L2116-R2120 WeakPolarHBondContact O-CG 3.33Å; L2116-R2120 PolarHBondContact O-N 2.94Å; L2116-L2210 HydrophobicContact CB-CD1 3.94Å; L2116-L2210 HydrophobicContact CD1-CB 4.27Å; L2116-L2210 HydrophobicContact CD1-CD1 4.34Å; L2116-L2210 HydrophobicContact CG-CD1 4.19Å; L2116-L2213 HydrophobicContact CG-CD1 4.47Å |
| 2117 | Y | 71.2 | Confident | 65.3 | Low | 33 Ų | 33 | 26.2 Ų | 26.2 | 13% | 0.129 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 173.5 | -69.1 | -70 | 0 | 0 | 0 | 112.2 | Q1963 L2113 E2114 I2119 R2120 H2121 | Q1963-Y2117 HydrophobicContact CB-CD1 4.09Å; Q1963-Y2117 HydrophobicContact CB-CE1 4.13Å; Q1963-Y2117 HydrophobicContact CG-CD1 4.27Å; Q1963-Y2117 HydrophobicContact CG-CE1 3.98Å; Q1963-Y2117 VanDerWaalsContact OE1-CZ 3.22Å; Q1963-Y2117 PolarHBondContact OE1-OH 3.34Å; L2113-Y2117 HydrophobicContact CB-CE2 4.35Å; L2113-Y2117 WeakPolarHBondContact O-CD2 3.36Å; L2113-Y2117 PolarHBondContact O-N 3.48Å; E2114-Y2117 PolarHBondContact O-N 3.31Å; Y2117-I2119 VanDerWaalsContact C-N 3.27Å; Y2117-I2119 PolarHBondContact O-N 3.05Å; Y2117-R2120 PolarHBondContact O-N 3.41Å; Y2117-H2121 VanDerWaalsContact O-CB 3.27Å; Y2117-H2121 WeakPolarHBondContact O-CB 3.44Å; Y2117-H2121 PolarHBondContact O-N 3.34Å |
| 2118 | L | 75.6 | Confident | 67.1 | Low | 13 Ų | 13 | 23.3 Ų | 23.3 | 7% | 0.068 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.2 | -37.7 | 176.6 | -170.3 | 70.8 | 0 | 0 | 0 | 111.7 | W1925 L2040 F2041 E2114 L2122 | W1925-L2118 HydrophobicContact CH2-CD1 4Å; W1925-L2118 HydrophobicContact CZ3-CD1 3.86Å; L2040-L2118 HydrophobicContact CB-CD2 4.14Å; L2040-L2118 HydrophobicContact CD1-CD1 4.02Å; L2040-L2118 HydrophobicContact CD1-CD2 4.26Å; F2041-L2118 HydrophobicContact CE1-CD2 4.13Å; F2041-L2118 HydrophobicContact CE2-CD2 4.08Å; F2041-L2118 HydrophobicContact CE2-CG 4.15Å; F2041-L2118 HydrophobicContact CZ-CB 4.43Å; F2041-L2118 HydrophobicContact CZ-CD2 3.75Å; F2041-L2118 HydrophobicContact CZ-CG 3.84Å; E2114-L2118 WeakPolarHBondContact O-CB 3.2Å; E2114-L2118 PolarHBondContact O-N 3.41Å; L2118-L2122 VanDerWaalsContact O-CB 3.31Å; L2118-L2122 WeakPolarHBondContact O-CB 3.46Å; L2118-L2122 PolarHBondContact O-N 3.4Å |
| 2119 | I | 77.1 | Confident | 68.9 | Low | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -71.2 | -42.9 | 174.2 | -70.6 | 160.1 | 0 | 0 | 0 | 111.9 | F2041 F2115 L2116 Y2117 H2121 L2122 I2123 L2210 L2213 V2214 | F2041-I2119 HydrophobicContact CE1-CD1 4.36Å; F2041-I2119 HydrophobicContact CE1-CG1 3.78Å; F2041-I2119 HydrophobicContact CZ-CG1 3.67Å; F2115-I2119 HydrophobicContact CD1-CD1 3.65Å; F2115-I2119 HydrophobicContact CE1-CD1 3.17Å; F2115-I2119 HydrophobicContact CE1-CG1 4.34Å; F2115-I2119 HydrophobicContact CE2-CD1 4.38Å; F2115-I2119 HydrophobicContact CG-CD1 4.38Å; F2115-I2119 HydrophobicContact CZ-CD1 3.57Å; F2115-I2119 HydrophobicContact CZ-CG1 4.38Å; F2115-I2119 WeakPolarHBondContact O-CD1 3.43Å; F2115-I2119 WeakPolarHBondContact O-CG1 3.34Å; F2115-I2119 PolarHBondContact O-N 2.97Å; F2115-I2119 VanDerWaalsContact O-N 3.07Å; L2116-I2119 PolarHBondContact O-N 3.32Å; Y2117-I2119 VanDerWaalsContact C-N 3.27Å; Y2117-I2119 PolarHBondContact O-N 3.05Å; I2119-H2121 VanDerWaalsContact C-N 3.31Å; I2119-H2121 PolarHBondContact O-N 2.59Å; I2119-L2122 PolarHBondContact O-N 3.15Å; I2119-I2123 HydrophobicContact CG2-CD1 3.69Å; I2119-I2123 HydrophobicContact CG2-CG1 4.35Å; I2119-I2123 WeakPolarHBondContact O-CB 3.49Å; I2119-I2123 WeakPolarHBondContact O-CD1 3.47Å; I2119-I2123 VanDerWaalsContact O-CG1 3.23Å; I2119-I2123 WeakPolarHBondContact O-CG1 3.32Å; I2119-I2123 PolarHBondContact O-N 3.26Å; I2119-L2210 HydrophobicContact CD1-CD1 3.59Å; I2119-L2213 HydrophobicContact CG2-CB 3.8Å; I2119-V2214 HydrophobicContact CD1-CG2 3.37Å; I2119-V2214 HydrophobicContact CG1-CG2 4.35Å |
| 2120 | R | 77.9 | Confident | 70 | Confident | 68 Ų | 68 | 18.9 Ų | 18.9 | 26% | 0.257 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 175.1 | -74.9 | -178.1 | 175.1 | 167.5 | -0.7 | 111.5 | E1966 L2116 Y2117 I2123 M2124 E2209 L2213 | E1966-R2120 VanDerWaalsContact CD-CB 3.47Å; E1966-R2120 HydrophobicContact CG-CB 4.25Å; E1966-R2120 VanDerWaalsContact OE2-CB 3.26Å; E1966-R2120 WeakPolarHBondContact OE2-CB 3.3Å; L2116-R2120 HydrophobicContact CD2-CG 4.3Å; L2116-R2120 WeakPolarHBondContact O-CG 3.33Å; L2116-R2120 PolarHBondContact O-N 2.94Å; Y2117-R2120 PolarHBondContact O-N 3.41Å; R2120-I2123 PolarHBondContact O-N 3.2Å; R2120-M2124 PolarHBondContact O-N 3.44Å; R2120-E2209 IonicContact CZ-OE1 2.71Å; R2120-E2209 IonicContact NE-OE1 3.21Å; R2120-E2209 PolarHBondContact NE-OE1 2.91Å; R2120-E2209 IonicContact NH2-OE1 3.98Å; R2120-E2209 PolarHBondContact NH2-OE1 3Å; R2120-E2209 IonicContact NH2-OE2 2.66Å; R2120-E2209 PolarHBondContact NH2-OE2 2.88Å; R2120-L2213 HydrophobicContact CG-CD1 3.84Å |
| 2121 | H | 81.4 | Confident | 71.1 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.3 | -45 | 174.9 | 178.9 | 84.7 | 0 | 0 | 0 | 112.2 | W1925 I1962 A1965 E1966 L1969 Q2033 Y2117 I2119 M2124 S2125 | W1925-H2121 AromaticContact CZ2-CD2 3.66Å; W1925-H2121 AromaticContact NE1-NE2 3.43Å; W1925-H2121 PolarHBondContact NE1-NE2 3.35Å; I1962-H2121 HydrophobicContact CG2-CB 4.08Å; I1962-H2121 PolarHBondContact O-CE1 2.65Å; I1962-H2121 VanDerWaalsContact O-CE1 3.28Å; A1965-H2121 WeakPolarHBondContact CB-CE1 3.32Å; A1965-H2121 WeakPolarHBondContact CB-NE2 3.38Å; A1965-H2121 PolarHBondContact O-CE1 3.45Å; E1966-H2121 WeakPolarHBondContact CA-CE1 3.33Å; E1966-H2121 HydrophobicContact CB-CB 4.39Å; E1966-H2121 PolarHBondContact N-CE1 2.91Å; L1969-H2121 WeakPolarHBondContact CD1-NE2 3.4Å; Q2033-H2121 PolarHBondContact OE1-NE2 2.98Å; Y2117-H2121 VanDerWaalsContact O-CB 3.27Å; Y2117-H2121 WeakPolarHBondContact O-CB 3.44Å; Y2117-H2121 PolarHBondContact O-N 3.34Å; I2119-H2121 VanDerWaalsContact C-N 3.31Å; I2119-H2121 PolarHBondContact O-N 2.59Å; H2121-M2124 WeakPolarHBondContact O-CB 3.42Å; H2121-M2124 PolarHBondContact O-N 2.93Å; H2121-S2125 PolarHBondContact O-N 2.83Å; H2121-S2125 PolarHBondContact O-OG 2.98Å; H2121-S2125 VanDerWaalsContact O-OG 3.1Å |
| 2122 | L | 82.1 | Confident | 71.7 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59 | -46.8 | 171.8 | 172.2 | 62.2 | 0 | 0 | 0 | 111.4 | I2034 C2037 F2041 L2118 I2119 M2124 S2125 L2126 L2178 L2182 A2217 | I2034-L2122 HydrophobicContact CG1-CD1 4.47Å; I2034-L2122 HydrophobicContact CG2-CD1 4.38Å; C2037-L2122 HydrophobicContact CB-CB 4.49Å; C2037-L2122 HydrophobicContact CB-CD1 3.99Å; F2041-L2122 HydrophobicContact CD2-CD2 4.18Å; F2041-L2122 HydrophobicContact CE2-CB 4.41Å; F2041-L2122 HydrophobicContact CE2-CD2 3.56Å; F2041-L2122 HydrophobicContact CZ-CD2 4.18Å; L2118-L2122 VanDerWaalsContact O-CB 3.31Å; L2118-L2122 WeakPolarHBondContact O-CB 3.46Å; L2118-L2122 PolarHBondContact O-N 3.4Å; I2119-L2122 PolarHBondContact O-N 3.15Å; L2122-M2124 VanDerWaalsContact C-N 3.27Å; L2122-M2124 PolarHBondContact O-N 2.82Å; L2122-S2125 PolarHBondContact O-N 2.95Å; L2122-L2126 HydrophobicContact CD1-CD1 3.77Å; L2122-L2126 HydrophobicContact CD1-CD2 4.38Å; L2122-L2126 HydrophobicContact CD1-CG 3.88Å; L2122-L2126 HydrophobicContact CD2-CD1 4.42Å; L2122-L2126 HydrophobicContact CG-CD1 3.72Å; L2122-L2126 HydrophobicContact CG-CG 4.3Å; L2122-L2126 WeakPolarHBondContact O-CB 3.36Å; L2122-L2126 WeakPolarHBondContact O-CD1 3.39Å; L2122-L2126 WeakPolarHBondContact O-CG 3.31Å; L2122-L2126 PolarHBondContact O-N 3.06Å; L2122-L2178 HydrophobicContact CD1-CD1 3.94Å; L2122-L2178 HydrophobicContact CD2-CD1 4.15Å; L2122-L2178 HydrophobicContact CD2-CD2 4.22Å; L2122-L2182 HydrophobicContact CD2-CD1 4.23Å; L2122-L2182 HydrophobicContact CD2-CD2 4.45Å; L2122-A2217 HydrophobicContact CD2-CB 4.48Å |
| 2123 | I | 80 | Confident | 72 | Confident | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60 | -38.9 | 176.4 | -72.2 | 164.2 | 0 | 0 | 0 | 110.9 | I2119 R2120 S2127 L2213 A2217 M2220 | I2119-I2123 HydrophobicContact CG2-CD1 3.69Å; I2119-I2123 HydrophobicContact CG2-CG1 4.35Å; I2119-I2123 WeakPolarHBondContact O-CB 3.49Å; I2119-I2123 WeakPolarHBondContact O-CD1 3.47Å; I2119-I2123 VanDerWaalsContact O-CG1 3.23Å; I2119-I2123 WeakPolarHBondContact O-CG1 3.32Å; I2119-I2123 PolarHBondContact O-N 3.26Å; R2120-I2123 PolarHBondContact O-N 3.2Å; I2123-S2127 WeakPolarHBondContact O-CB 3.29Å; I2123-S2127 PolarHBondContact O-N 3.01Å; I2123-S2127 PolarHBondContact O-OG 3.44Å; I2123-L2213 HydrophobicContact CD1-CB 3.74Å; I2123-L2213 HydrophobicContact CD1-CD2 3.57Å; I2123-L2213 HydrophobicContact CD1-CG 4.23Å; I2123-L2213 WeakPolarHBondContact CD1-O 3.38Å; I2123-A2217 HydrophobicContact CD1-CB 4.22Å; I2123-A2217 HydrophobicContact CG1-CB 3.76Å; I2123-M2220 HydrophobicContact CG2-SD 4.05Å |
| 2124 | M | 78 | Confident | 72.1 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.3 | -50.3 | 176.5 | -152.3 | 61.9 | 51.3 | 0 | 0 | 111 | E1966 L1969 K1970 L1995 R2120 H2121 L2122 L2126 S2127 V2128 | E1966-M2124 HydrophobicContact CG-CE 4.39Å; L1969-M2124 HydrophobicContact CB-CB 4.05Å; L1969-M2124 HydrophobicContact CB-CG 3.42Å; L1969-M2124 VanDerWaalsContact CB-CG 3.42Å; L1969-M2124 HydrophobicContact CD1-CB 4.3Å; K1970-M2124 HydrophobicContact CB-SD 4.37Å; K1970-M2124 HydrophobicContact CD-CE 4.11Å; K1970-M2124 HydrophobicContact CG-CE 3.43Å; K1970-M2124 VanDerWaalsContact CG-CE 3.43Å; K1970-M2124 HydrophobicContact CG-CG 4.24Å; K1970-M2124 HydrophobicContact CG-SD 3.52Å; K1970-M2124 VanDerWaalsContact CG-SD 3.52Å; L1995-M2124 HydrophobicContact CD1-CE 3.64Å; L1995-M2124 HydrophobicContact CD1-SD 3.67Å; L1995-M2124 HydrophobicContact CD2-CE 3.56Å; L1995-M2124 HydrophobicContact CG-CE 4.26Å; R2120-M2124 PolarHBondContact O-N 3.44Å; H2121-M2124 WeakPolarHBondContact O-CB 3.42Å; H2121-M2124 PolarHBondContact O-N 2.93Å; L2122-M2124 VanDerWaalsContact C-N 3.27Å; L2122-M2124 PolarHBondContact O-N 2.82Å; M2124-L2126 PolarHBondContact O-N 3.4Å; M2124-S2127 WeakPolarHBondContact CA-OG 3.36Å; M2124-S2127 PolarHBondContact O-N 3.41Å; M2124-S2127 PolarHBondContact O-OG 3.17Å; M2124-V2128 PolarHBondContact O-N 3.39Å |
| 2125 | S | 77 | Confident | 71.8 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -55.7 | -47 | 176.3 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | L1969 I2030 H2121 L2122 V2128 L2129 | L1969-S2125 VanDerWaalsContact CD1-OG 3.27Å; L1969-S2125 WeakPolarHBondContact CD1-OG 3.33Å; I2030-S2125 WeakPolarHBondContact CG2-O 3.28Å; H2121-S2125 PolarHBondContact O-N 2.83Å; H2121-S2125 PolarHBondContact O-OG 2.98Å; H2121-S2125 VanDerWaalsContact O-OG 3.1Å; L2122-S2125 PolarHBondContact O-N 2.95Å; S2125-V2128 PolarHBondContact O-N 3.47Å; S2125-L2129 PolarHBondContact O-N 2.89Å; S2125-L2129 VanDerWaalsContact O-N 3.07Å |
| 2126 | L | 79 | Confident | 71 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.2 | -39.3 | 174 | -65.1 | 164.7 | 0 | 0 | 0 | 111.8 | I2034 L2122 M2124 V2128 L2129 M2130 M2220 V2221 I2224 | I2034-L2126 HydrophobicContact CD1-CD2 4.1Å; L2122-L2126 HydrophobicContact CD1-CD1 3.77Å; L2122-L2126 HydrophobicContact CD1-CD2 4.38Å; L2122-L2126 HydrophobicContact CD1-CG 3.88Å; L2122-L2126 HydrophobicContact CD2-CD1 4.42Å; L2122-L2126 HydrophobicContact CG-CD1 3.72Å; L2122-L2126 HydrophobicContact CG-CG 4.3Å; L2122-L2126 WeakPolarHBondContact O-CB 3.36Å; L2122-L2126 WeakPolarHBondContact O-CD1 3.39Å; L2122-L2126 WeakPolarHBondContact O-CG 3.31Å; L2122-L2126 PolarHBondContact O-N 3.06Å; M2124-L2126 PolarHBondContact O-N 3.4Å; L2126-V2128 VanDerWaalsContact C-N 3.33Å; L2126-V2128 PolarHBondContact O-N 3.02Å; L2126-L2129 PolarHBondContact O-N 3.48Å; L2126-M2130 WeakPolarHBondContact O-CB 3.22Å; L2126-M2130 VanDerWaalsContact O-CG 3.31Å; L2126-M2130 WeakPolarHBondContact O-CG 3.49Å; L2126-M2130 PolarHBondContact O-N 3.23Å; L2126-M2220 HydrophobicContact CB-CB 4.4Å; L2126-M2220 HydrophobicContact CD1-CB 4.34Å; L2126-V2221 HydrophobicContact CD1-CG2 3.59Å; L2126-V2221 HydrophobicContact CD2-CG2 3.76Å; L2126-V2221 HydrophobicContact CG-CG2 4.35Å; L2126-I2224 HydrophobicContact CB-CD1 4.18Å; L2126-I2224 HydrophobicContact CD2-CD1 3.49Å; L2126-I2224 VanDerWaalsContact CD2-CD1 3.49Å; L2126-I2224 HydrophobicContact CG-CD1 4.42Å |
| 2127 | S | 73.2 | Confident | 70.2 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.007 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.9 | -33.3 | -179.3 | 76.9 | 0 | 0 | 0 | 0 | 113 | I2123 M2124 V2131 | I2123-S2127 WeakPolarHBondContact O-CB 3.29Å; I2123-S2127 PolarHBondContact O-N 3.01Å; I2123-S2127 PolarHBondContact O-OG 3.44Å; M2124-S2127 WeakPolarHBondContact CA-OG 3.36Å; M2124-S2127 PolarHBondContact O-N 3.41Å; M2124-S2127 PolarHBondContact O-OG 3.17Å; S2127-V2131 PolarHBondContact O-N 3.03Å |
| 2128 | V | 73.2 | Confident | 69.2 | Low | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -73.2 | -43.9 | 172.7 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | W1973 L1976 F2027 I2030 M2124 S2125 L2126 M2130 V2131 | W1973-V2128 HydrophobicContact CB-CG2 3.72Å; W1973-V2128 HydrophobicContact CG-CG2 4.26Å; L1976-V2128 HydrophobicContact CD1-CG1 3.34Å; F2027-V2128 HydrophobicContact CE1-CG1 4.21Å; I2030-V2128 HydrophobicContact CD1-CB 3.64Å; I2030-V2128 HydrophobicContact CD1-CG1 3.27Å; I2030-V2128 HydrophobicContact CD1-CG2 4.37Å; M2124-V2128 PolarHBondContact O-N 3.39Å; S2125-V2128 PolarHBondContact O-N 3.47Å; L2126-V2128 VanDerWaalsContact C-N 3.33Å; L2126-V2128 PolarHBondContact O-N 3.02Å; V2128-M2130 PolarHBondContact O-N 2.95Å; V2128-V2131 WeakPolarHBondContact O-CB 3.28Å; V2128-V2131 PolarHBondContact O-N 3.45Å; V2128-V2131 VanDerWaalsContact O-N 3.1Å |
| 2129 | L | 71.9 | Confident | 68 | Low | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.8 | -32.6 | 173 | -158.5 | 90.8 | 0 | 0 | 0 | 112.1 | F2027 I2030 I2034 S2125 L2126 L2133 V2154 L2170 I2224 | F2027-L2129 HydrophobicContact CD1-CD1 4.49Å; I2030-L2129 HydrophobicContact CG2-CB 4.38Å; I2030-L2129 HydrophobicContact CG2-CD1 4.08Å; I2034-L2129 HydrophobicContact CD1-CB 4.47Å; I2034-L2129 HydrophobicContact CD1-CD1 4.48Å; I2034-L2129 HydrophobicContact CD1-CD2 4.28Å; S2125-L2129 PolarHBondContact O-N 2.89Å; S2125-L2129 VanDerWaalsContact O-N 3.07Å; L2126-L2129 PolarHBondContact O-N 3.48Å; L2129-L2133 HydrophobicContact CD2-CD1 4.43Å; L2129-L2133 WeakPolarHBondContact O-CD1 3.36Å; L2129-V2154 HydrophobicContact CD1-CG2 4.24Å; L2129-L2170 HydrophobicContact CD2-CD2 4.06Å; L2129-I2224 HydrophobicContact CD2-CD1 3.96Å; L2129-I2224 HydrophobicContact CD2-CG1 4.35Å; L2129-I2224 HydrophobicContact CD2-CG2 3.89Å |
| 2130 | M | 68.5 | Low | 66.6 | Low | 40 Ų | 40 | 29.1 Ų | 29.1 | 20% | 0.197 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -11.8 | 178.1 | -79 | -165.7 | 75.9 | 0 | 0 | 115.3 | L2126 V2128 L2133 M2220 I2224 | L2126-M2130 WeakPolarHBondContact O-CB 3.22Å; L2126-M2130 VanDerWaalsContact O-CG 3.31Å; L2126-M2130 WeakPolarHBondContact O-CG 3.49Å; L2126-M2130 PolarHBondContact O-N 3.23Å; V2128-M2130 PolarHBondContact O-N 2.95Å; M2130-L2133 PolarHBondContact O-N 2.6Å; M2130-M2220 HydrophobicContact SD-CB 3.94Å; M2130-M2220 HydrophobicContact SD-CE 4.01Å; M2130-M2220 HydrophobicContact SD-CG 3.92Å; M2130-I2224 HydrophobicContact CG-CD1 3.88Å; M2130-I2224 HydrophobicContact CG-CG1 3.69Å; M2130-I2224 HydrophobicContact SD-CG1 4.37Å |
| 2131 | V | 65.8 | Low | 65.2 | Low | 12 Ų | 12 | 32.7 Ų | 32.7 | 7% | 0.073 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -54.2 | 177.8 | 173 | 0 | 0 | 0 | 0 | 109.7 | V1977 E1980 I1989 S2127 V2128 L2133 | V1977-V2131 HydrophobicContact CG2-CG2 4.04Å; E1980-V2131 WeakPolarHBondContact OE2-CG1 3.4Å; I1989-V2131 HydrophobicContact CD1-CG1 4.15Å; S2127-V2131 PolarHBondContact O-N 3.03Å; V2128-V2131 WeakPolarHBondContact O-CB 3.28Å; V2128-V2131 PolarHBondContact O-N 3.45Å; V2128-V2131 VanDerWaalsContact O-N 3.1Å; V2131-L2133 VanDerWaalsContact C-N 3.27Å; V2131-L2133 PolarHBondContact O-N 2.67Å |
| 2132 | Q | 60.7 | Low | 63.8 | Low | 69 Ų | 69 | 36 Ų | 36 | 32% | 0.322 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 9.2 | -179 | -65.1 | -170.2 | -14.5 | 0 | 0 | 115 | F2027 | F2027-Q2132 HydrophobicContact CE2-CG 4.34Å; F2027-Q2132 HydrophobicContact CZ-CG 3.95Å |
| 2133 | L | 60.6 | Low | 62.5 | Low | 14 Ų | 14 | 39.6 Ų | 39.6 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -106.7 | 123.9 | -176.6 | -77.4 | 171.7 | 0 | 0 | 0 | 112.5 | L2129 M2130 V2131 I2135 I2224 Q2228 I2231 | L2129-L2133 HydrophobicContact CD2-CD1 4.43Å; L2129-L2133 WeakPolarHBondContact O-CD1 3.36Å; M2130-L2133 PolarHBondContact O-N 2.6Å; V2131-L2133 VanDerWaalsContact C-N 3.27Å; V2131-L2133 PolarHBondContact O-N 2.67Å; L2133-I2135 PolarHBondContact O-N 3.42Å; L2133-I2224 HydrophobicContact CD1-CB 4.33Å; L2133-I2224 HydrophobicContact CD1-CG1 3.88Å; L2133-I2224 HydrophobicContact CD1-CG2 4Å; L2133-Q2228 HydrophobicContact CD2-CG 4.07Å; L2133-I2231 HydrophobicContact CD2-CD1 4.46Å |
| 2134 | P | 57.9 | Low | 61.3 | Low | 24 Ų | 24 | 43.7 Ų | 43.7 | 16% | 0.156 | 26% | 0.256 | C | S | . | . | trans | -64.6 | 124.8 | -179.5 | 26.5 | -34.3 | 0 | 0 | 0 | 111.3 | L2136 L2150 I2231 | P2134-L2136 PolarHBondContact O-N 3.45Å; P2134-L2150 HydrophobicContact CG-CD1 4.31Å; P2134-I2231 HydrophobicContact CG-CD1 3.84Å; P2134-I2231 HydrophobicContact CG-CG1 4.48Å | ||
| 2135 | I | 56.1 | Low | 60.2 | Low | 70 Ų | 70 | 47.7 Ų | 47.7 | 36% | 0.359 | 28% | 0.278 | S | S | . | . | trans | -60 | 130.3 | 177.2 | -60 | 165.2 | 0 | 0 | 0 | 109.3 | I1990 L2133 G2137 K2138 A2139 | I1990-I2135 HydrophobicContact CD1-CD1 3.97Å; I1990-I2135 HydrophobicContact CD1-CG2 4.33Å; I1990-I2135 HydrophobicContact CG1-CD1 4.16Å; L2133-I2135 PolarHBondContact O-N 3.42Å; I2135-G2137 PolarHBondContact O-N 2.88Å; I2135-K2138 PolarHBondContact O-N 3.26Å; I2135-A2139 PolarHBondContact O-N 3.46Å | ||
| 2136 | L | 51.4 | Low | 59.1 | Low | 55 Ų | 55 | 52.1 Ų | 52.1 | 29% | 0.288 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -47.6 | -39.8 | -173.3 | -114.9 | 78 | 0 | 0 | 0 | 114.7 | P2134 K2138 A2139 F2226 | P2134-L2136 PolarHBondContact O-N 3.45Å; L2136-K2138 VanDerWaalsContact C-N 3.25Å; L2136-K2138 PolarHBondContact O-N 2.83Å; L2136-A2139 PolarHBondContact O-N 2.75Å; L2136-F2226 HydrophobicContact CD1-CB 3.56Å; L2136-F2226 HydrophobicContact CD2-CB 3.74Å; L2136-F2226 HydrophobicContact CD2-CD2 4.5Å; L2136-F2226 HydrophobicContact CD2-CG 4.24Å; L2136-F2226 HydrophobicContact CG-CB 4.26Å |
| 2137 | G | 55.2 | Low | 58 | Low | 56 Ų | 56 | 53.4 Ų | 53.4 | 58% | 0.577 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -68.8 | -15.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | I2135 | I2135-G2137 PolarHBondContact O-N 2.88Å |
| 2138 | K | 50.4 | Low | 57.1 | Low | 99 Ų | 99 | 59.4 Ų | 59.4 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -95.4 | -29.4 | 170.4 | -77.8 | -173.2 | 173.1 | -176.6 | 0 | 112.3 | G1986 I2135 L2136 S2140 L2141 M2142 | G1986-K2138 PolarHBondContact O-NZ 3.18Å; I2135-K2138 PolarHBondContact O-N 3.26Å; L2136-K2138 VanDerWaalsContact C-N 3.25Å; L2136-K2138 PolarHBondContact O-N 2.83Å; K2138-S2140 PolarHBondContact O-N 3.25Å; K2138-S2140 VanDerWaalsContact O-N 3.17Å; K2138-L2141 WeakPolarHBondContact O-CB 3.44Å; K2138-L2141 PolarHBondContact O-N 2.81Å; K2138-M2142 PolarHBondContact O-N 3.32Å |
| 2139 | A | 51.1 | Low | 56.2 | Low | 18 Ų | 18 | 69 Ų | 69 | 15% | 0.149 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.9 | -30.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I2135 L2136 L2141 | I2135-A2139 PolarHBondContact O-N 3.46Å; L2136-A2139 PolarHBondContact O-N 2.75Å; A2139-L2141 PolarHBondContact O-N 2.82Å |
| 2140 | S | 47.8 | Very low | 55.4 | Low | 78 Ų | 78 | 72 Ų | 72 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 2.4 | 174 | 62.6 | 0 | 0 | 0 | 0 | 115.2 | K2138 | K2138-S2140 PolarHBondContact O-N 3.25Å; K2138-S2140 VanDerWaalsContact O-N 3.17Å |
| 2141 | L | 47.8 | Very low | 54.6 | Low | 144 Ų | 144 | 78.7 Ų | 78.7 | 75% | 0.754 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -10 | 176.4 | -69.6 | 168.6 | 0 | 0 | 0 | 112.9 | K2138 A2139 | K2138-L2141 WeakPolarHBondContact O-CB 3.44Å; K2138-L2141 PolarHBondContact O-N 2.81Å; A2139-L2141 PolarHBondContact O-N 2.82Å |
| 2142 | M | 52 | Low | 54 | Low | 68 Ų | 68 | 79.5 Ų | 79.5 | 34% | 0.335 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -88.1 | 137.8 | 178.8 | -58.1 | -174.4 | 85.1 | 0 | 0 | 110 | K2138 E2146 L2147 | K2138-M2142 PolarHBondContact O-N 3.32Å; M2142-E2146 HydrophobicContact CB-CB 4.37Å; M2142-E2146 HydrophobicContact CE-CB 4.23Å; M2142-L2147 HydrophobicContact CB-CG 4.34Å |
| 2143 | T | 55.3 | Low | 53.8 | Low | 76 Ų | 76 | 81 Ų | 81 | 47% | 0.466 | 42% | 0.423 | S | S | . | . | trans | -70.3 | 160.9 | 176.9 | 61.4 | 0 | 0 | 0 | 0 | 111.7 | D2145 E2146 L2147 | T2143-D2145 PolarHBondContact O-N 3.03Å; T2143-D2145 VanDerWaalsContact O-N 3.13Å; T2143-E2146 WeakPolarHBondContact CB-OE2 3.02Å; T2143-E2146 WeakPolarHBondContact CG2-OE2 3.5Å; T2143-E2146 PolarHBondContact N-OE2 2.66Å; T2143-E2146 PolarHBondContact O-N 2.57Å; T2143-E2146 WeakPolarHBondContact OG1-CG 3.37Å; T2143-E2146 PolarHBondContact OG1-N 3.16Å; T2143-E2146 PolarHBondContact OG1-OE2 3.13Å; T2143-L2147 PolarHBondContact O-N 3.15Å; T2143-L2147 VanDerWaalsContact O-N 3.07Å | ||
| 2144 | S | 54.4 | Low | 53.7 | Low | 88 Ų | 88 | 80.8 Ų | 80.8 | 62% | 0.615 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.4 | 177.9 | 52.5 | 0 | 0 | 0 | 0 | 114.1 | K2148 | S2144-K2148 WeakPolarHBondContact O-CE 3.43Å; S2144-K2148 WeakPolarHBondContact O-CG 3.5Å |
| 2145 | D | 54.5 | Low | 53.8 | Low | 85 Ų | 85 | 85.9 Ų | 85.9 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -38.3 | 174.4 | -69.9 | -51.4 | 0 | 0 | 0 | 112.4 | T2143 L2147 K2148 Y2149 | T2143-D2145 PolarHBondContact O-N 3.03Å; T2143-D2145 VanDerWaalsContact O-N 3.13Å; D2145-L2147 PolarHBondContact O-N 2.86Å; D2145-K2148 WeakPolarHBondContact O-CB 3.34Å; D2145-K2148 PolarHBondContact O-N 3.32Å; D2145-K2148 WeakPolarHBondContact OD1-CE 3.24Å; D2145-K2148 IonicContact OD1-NZ 2.8Å; D2145-K2148 PolarHBondContact OD1-NZ 2.83Å; D2145-Y2149 VanDerWaalsContact O-CD2 3.3Å; D2145-Y2149 WeakPolarHBondContact O-CD2 3.44Å |
| 2146 | E | 55.2 | Low | 54.1 | Low | 93 Ų | 93 | 83 Ų | 83 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.9 | -38.3 | 170.3 | -70.8 | 163.7 | 123.5 | 0 | 0 | 111.4 | M2142 T2143 K2148 Y2149 | M2142-E2146 HydrophobicContact CB-CB 4.37Å; M2142-E2146 HydrophobicContact CE-CB 4.23Å; T2143-E2146 WeakPolarHBondContact CB-OE2 3.02Å; T2143-E2146 WeakPolarHBondContact CG2-OE2 3.5Å; T2143-E2146 PolarHBondContact N-OE2 2.66Å; T2143-E2146 PolarHBondContact O-N 2.57Å; T2143-E2146 WeakPolarHBondContact OG1-CG 3.37Å; T2143-E2146 PolarHBondContact OG1-N 3.16Å; T2143-E2146 PolarHBondContact OG1-OE2 3.13Å; E2146-K2148 PolarHBondContact O-N 3.02Å; E2146-Y2149 PolarHBondContact O-N 2.91Å |
| 2147 | L | 55.7 | Low | 54.8 | Low | 27 Ų | 27 | 83.7 Ų | 83.7 | 14% | 0.141 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.1 | -19.4 | 173.2 | -78.9 | 161.3 | 0 | 0 | 0 | 114.2 | M2142 T2143 D2145 L2150 T2234 | M2142-L2147 HydrophobicContact CB-CG 4.34Å; T2143-L2147 PolarHBondContact O-N 3.15Å; T2143-L2147 VanDerWaalsContact O-N 3.07Å; D2145-L2147 PolarHBondContact O-N 2.86Å; L2147-L2150 HydrophobicContact CD2-CD1 4.31Å; L2147-T2234 HydrophobicContact CD1-CG2 4.2Å |
| 2148 | K | 53 | Low | 55.1 | Low | 127 Ų | 127 | 83.5 Ų | 83.5 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -79.5 | -25.6 | 174.4 | -68.8 | 168.3 | -169.1 | 166.6 | 0 | 113.2 | S2144 D2145 E2146 | S2144-K2148 WeakPolarHBondContact O-CE 3.43Å; S2144-K2148 WeakPolarHBondContact O-CG 3.5Å; D2145-K2148 WeakPolarHBondContact O-CB 3.34Å; D2145-K2148 PolarHBondContact O-N 3.32Å; D2145-K2148 WeakPolarHBondContact OD1-CE 3.24Å; D2145-K2148 IonicContact OD1-NZ 2.8Å; D2145-K2148 PolarHBondContact OD1-NZ 2.83Å; E2146-K2148 PolarHBondContact O-N 3.02Å |
| 2149 | Y | 54.7 | Low | 55.7 | Low | 202 Ų | 202 | 81.8 Ų | 81.8 | 79% | 0.792 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -83.9 | -14.7 | -177.8 | -75.5 | -75.7 | 0 | 0 | 0 | 113.5 | D2145 E2146 K2151 | D2145-Y2149 VanDerWaalsContact O-CD2 3.3Å; D2145-Y2149 WeakPolarHBondContact O-CD2 3.44Å; E2146-Y2149 PolarHBondContact O-N 2.91Å; Y2149-K2151 PolarHBondContact O-N 2.98Å |
| 2150 | L | 54.9 | Low | 56 | Low | 66 Ų | 66 | 84.7 Ų | 84.7 | 35% | 0.346 | 44% | 0.435 | S | S | . | . | trans | -70.2 | 88.1 | 171.9 | -74.7 | 167.7 | 0 | 0 | 0 | 111.1 | P2134 L2147 V2152 | P2134-L2150 HydrophobicContact CG-CD1 4.31Å; L2147-L2150 HydrophobicContact CD2-CD1 4.31Å; L2150-V2152 VanDerWaalsContact C-N 3.31Å; L2150-V2152 PolarHBondContact O-N 3.08Å | ||
| 2151 | K | 51.5 | Low | 56.3 | Low | 182 Ų | 182 | 84.5 Ų | 84.5 | 79% | 0.791 | 43% | 0.432 | S | S | * | . | trans | -66.1 | 88 | 165.2 | -82.9 | -172.3 | 172.2 | -177.3 | 0 | 110.2 | Y2149 H2153 | Y2149-K2151 PolarHBondContact O-N 2.98Å; K2151-H2153 PolarHBondContact O-CD2 3.39Å; K2151-H2153 PolarHBondContact O-N 3.14Å | ||
| 2152 | V | 54.2 | Low | 56.6 | Low | 28 Ų | 28 | 83 Ų | 83 | 17% | 0.17 | 42% | 0.424 | C | S | . | . | trans | -73.2 | 112.3 | 171.6 | -175.8 | 0 | 0 | 0 | 0 | 109 | L2150 V2154 I2231 | L2150-V2152 VanDerWaalsContact C-N 3.31Å; L2150-V2152 PolarHBondContact O-N 3.08Å; V2152-V2154 WeakPolarHBondContact CG1-O 3.48Å; V2152-V2154 PolarHBondContact O-N 3.17Å; V2152-I2231 HydrophobicContact CG2-CD1 4.05Å; V2152-I2231 HydrophobicContact CG2-CG2 4.22Å | ||
| 2153 | H | 56.1 | Low | 56.5 | Low | 100 Ų | 100 | 85.4 Ų | 85.4 | 46% | 0.463 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -70.6 | -10.8 | 179.2 | -81 | -112.7 | 0 | 0 | 0 | 113.8 | N2024 K2151 | N2024-H2153 PolarHBondContact OD1-ND1 2.97Å; K2151-H2153 PolarHBondContact O-CD2 3.39Å; K2151-H2153 PolarHBondContact O-N 3.14Å |
| 2154 | V | 57.9 | Low | 56.5 | Low | 11 Ų | 11 | 88.2 Ų | 88.2 | 7% | 0.067 | 45% | 0.45 | C | S | . | . | trans | -115.6 | 97.4 | -178.9 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | L2129 V2152 L2156 Q2228 | L2129-V2154 HydrophobicContact CD1-CG2 4.24Å; V2152-V2154 WeakPolarHBondContact CG1-O 3.48Å; V2152-V2154 PolarHBondContact O-N 3.17Å; V2154-L2156 HydrophobicContact CG1-CD2 3.97Å; V2154-Q2228 PolarHBondContact O-NE2 3.44Å | ||
| 2155 | H | 60.7 | Low | 56.5 | Low | 131 Ų | 131 | 87.9 Ų | 87.9 | 61% | 0.606 | 44% | 0.441 | S | S | * | . | trans | -89.4 | 108.2 | 173.7 | -84.8 | -45.5 | 0 | 0 | 0 | 111.5 | ||||
| 2156 | L | 63.4 | Low | 56.5 | Low | 8 Ų | 8 | 90.7 Ų | 90.7 | 4% | 0.042 | 46% | 0.456 | C | S | . | . | trans | -78.2 | 122.8 | 173.4 | -54.8 | -172.9 | 0 | 0 | 0 | 111.2 | V2154 L2170 F2172 L2175 Q2228 | V2154-L2156 HydrophobicContact CG1-CD2 3.97Å; L2156-L2170 HydrophobicContact CD2-CB 3.79Å; L2156-L2170 HydrophobicContact CD2-CD2 3.93Å; L2156-L2170 HydrophobicContact CD2-CG 3.84Å; L2156-L2170 WeakPolarHBondContact CD2-O 3.38Å; L2156-F2172 HydrophobicContact CB-CD2 3.7Å; L2156-F2172 HydrophobicContact CB-CE2 3.45Å; L2156-F2172 VanDerWaalsContact CB-CE2 3.45Å; L2156-F2172 HydrophobicContact CB-CZ 4.13Å; L2156-F2172 HydrophobicContact CD1-CD2 4.39Å; L2156-F2172 HydrophobicContact CD1-CE1 4.16Å; L2156-F2172 HydrophobicContact CD1-CE2 4.06Å; L2156-F2172 HydrophobicContact CD1-CZ 3.93Å; L2156-F2172 HydrophobicContact CG-CE2 4.38Å; L2156-L2175 HydrophobicContact CD1-CD1 3.63Å; L2156-Q2228 HydrophobicContact CD1-CB 3.66Å; L2156-Q2228 HydrophobicContact CD1-CG 3.7Å; L2156-Q2228 HydrophobicContact CG-CB 4.26Å; L2156-Q2228 HydrophobicContact CG-CG 4.08Å | ||
| 2157 | T | 65.5 | Low | 56.7 | Low | 70 Ų | 70 | 88.7 Ų | 88.7 | 43% | 0.429 | 45% | 0.452 | S | S | . | . | B | Isolated β-bridge | trans | -88.4 | 157.2 | 170.4 | 55.7 | 0 | 0 | 0 | 0 | 111.8 | T2171 F2172 | T2157-T2171 WeakPolarHBondContact O-CB 3.49Å; T2157-T2171 WeakPolarHBondContact OG1-CG2 3.43Å; T2157-F2172 PolarHBondContact O-N 3.31Å |
| 2158 | F | 61 | Low | 57 | Low | 52 Ų | 52 | 91 Ų | 91 | 23% | 0.228 | 47% | 0.468 | C | S | . | . | trans | -103.3 | 65 | -176.5 | -144.7 | -77 | 0 | 0 | 0 | 112.1 | F2172 I2176 L2245 L2246 E2249 L2250 | F2158-F2172 HydrophobicContact CD2-CB 3.52Å; F2158-F2172 HydrophobicContact CD2-CD1 4.25Å; F2158-F2172 AromaticContact CD2-CD2 3.45Å; F2158-F2172 HydrophobicContact CD2-CD2 3.45Å; F2158-F2172 VanDerWaalsContact CD2-CD2 3.45Å; F2158-F2172 HydrophobicContact CD2-CE2 4.21Å; F2158-F2172 AromaticContact CD2-CG 3.47Å; F2158-F2172 HydrophobicContact CD2-CG 3.47Å; F2158-F2172 VanDerWaalsContact CD2-CG 3.47Å; F2158-F2172 HydrophobicContact CE2-CB 3.51Å; F2158-F2172 AromaticContact CE2-CD1 3.96Å; F2158-F2172 HydrophobicContact CE2-CD1 3.96Å; F2158-F2172 HydrophobicContact CE2-CD2 4.01Å; F2158-F2172 AromaticContact CE2-CG 3.55Å; F2158-F2172 HydrophobicContact CE2-CG 3.55Å; F2158-F2172 HydrophobicContact CG-CB 4.2Å; F2158-F2172 HydrophobicContact CG-CD2 4.36Å; F2158-F2172 HydrophobicContact CG-CG 4.49Å; F2158-F2172 HydrophobicContact CZ-CB 4.19Å; F2158-I2176 HydrophobicContact CZ-CD1 4.29Å; F2158-L2245 HydrophobicContact CD1-CD2 3.87Å; F2158-L2245 HydrophobicContact CE1-CD2 4.39Å; F2158-L2246 HydrophobicContact CD2-CB 3.85Å; F2158-L2246 HydrophobicContact CD2-CD1 3.75Å; F2158-L2246 HydrophobicContact CD2-CG 3.57Å; F2158-L2246 HydrophobicContact CE2-CB 4.11Å; F2158-L2246 HydrophobicContact CE2-CD1 4.27Å; F2158-L2246 HydrophobicContact CE2-CG 3.68Å; F2158-L2246 HydrophobicContact CG-CB 4.3Å; F2158-L2246 HydrophobicContact CG-CG 4.48Å; F2158-E2249 HydrophobicContact CE1-CB 3.55Å; F2158-E2249 HydrophobicContact CE1-CG 4.02Å; F2158-E2249 HydrophobicContact CZ-CB 3.85Å; F2158-L2250 HydrophobicContact CE2-CB 4.47Å; F2158-L2250 HydrophobicContact CE2-CD1 4.36Å; F2158-L2250 HydrophobicContact CZ-CB 4.35Å | ||
| 2159 | N | 62.3 | Low | 57.6 | Low | 63 Ų | 63 | 88.3 Ų | 88.3 | 34% | 0.337 | 46% | 0.462 | S | S | . | . | trans | -77.6 | 147.5 | 168.9 | -71 | 17.4 | 0 | 0 | 0 | 110.1 | D2165 | N2159-D2165 PolarHBondContact ND2-OD2 3.02Š| ||
| 2160 | S | 57.9 | Low | 58.4 | Low | 80 Ų | 80 | 78.7 Ų | 78.7 | 56% | 0.559 | 42% | 0.424 | S | S | * | . | trans | -57.4 | 147.1 | 172.6 | 55.5 | 0 | 0 | 0 | 0 | 111.3 | N2162 | S2160-N2162 VanDerWaalsContact C-N 3.28Å; S2160-N2162 PolarHBondContact O-N 3.03Å | ||
| 2161 | P | 54.2 | Low | 59.3 | Low | 74 Ų | 74 | 76 Ų | 76 | 48% | 0.481 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -69.3 | 81.7 | 178.9 | 29.7 | -35.7 | 0 | 0 | 0 | 111.4 | T2177 | P2161-T2177 HydrophobicContact CB-CG2 3.69Š|
| 2162 | N | 54.5 | Low | 60.5 | Low | 112 Ų | 112 | 67.3 Ų | 67.3 | 60% | 0.599 | 37% | 0.373 | S | S | * | . | trans | -133.5 | 119.3 | -170.7 | -150.7 | 3.9 | 0 | 0 | 0 | 109.4 | S2160 N2164 | S2160-N2162 VanDerWaalsContact C-N 3.28Å; S2160-N2162 PolarHBondContact O-N 3.03Å; N2162-N2164 PolarHBondContact O-N 3.03Å | ||
| 2163 | L | 49.9 | Very low | 61.4 | Low | 118 Ų | 118 | 66.3 Ų | 66.3 | 62% | 0.618 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 13.1 | -160.9 | -84 | 159 | 0 | 0 | 0 | 116.3 | ||
| 2164 | N | 54.8 | Low | 62.3 | Low | 135 Ų | 135 | 62.6 Ų | 62.6 | 72% | 0.722 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | -0.7 | -169.7 | -67.9 | 8.1 | 0 | 0 | 0 | 114.4 | N2162 N2166 | N2162-N2164 PolarHBondContact O-N 3.03Å; N2164-N2166 PolarHBondContact O-N 3.04Å |
| 2165 | D | 54.4 | Low | 63.2 | Low | 81 Ų | 81 | 62 Ų | 62 | 43% | 0.433 | 35% | 0.349 | S | S | . | . | trans | -76 | 104.8 | 171.2 | -91.2 | -20.2 | 0 | 0 | 0 | 109.8 | N2159 S2167 | N2159-D2165 PolarHBondContact ND2-OD2 3.02Å; D2165-S2167 PolarHBondContact O-N 3.06Å; D2165-S2167 VanDerWaalsContact O-N 3.08Å | ||
| 2166 | N | 55.3 | Low | 64 | Low | 145 Ų | 145 | 56.5 Ų | 56.5 | 78% | 0.775 | 32% | 0.324 | S | S | * | . | trans | -76.2 | 18.5 | 177.7 | -75.2 | -16.2 | 0 | 0 | 0 | 113.9 | N2164 | N2164-N2166 PolarHBondContact O-N 3.04Š| ||
| 2167 | S | 59.8 | Low | 64.5 | Low | 50 Ų | 50 | 57 Ų | 57 | 35% | 0.35 | 33% | 0.327 | S | S | . | . | trans | -83.1 | 128.2 | -179.3 | 57.3 | 0 | 0 | 0 | 0 | 111.7 | D2165 V2169 | D2165-S2167 PolarHBondContact O-N 3.06Å; D2165-S2167 VanDerWaalsContact O-N 3.08Å; S2167-V2169 PolarHBondContact O-N 3.49Å; S2167-V2169 VanDerWaalsContact O-N 3.09Å | ||
| 2168 | T | 60.4 | Low | 65.1 | Low | 77 Ų | 77 | 53.6 Ų | 53.6 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | trans | -71.6 | 3.3 | 177.2 | 48.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2169 | V | 67 | Low | 65.9 | Low | 69 Ų | 69 | 51.3 Ų | 51.3 | 42% | 0.418 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -85.3 | 132.5 | -178.5 | -177.4 | 0 | 0 | 0 | 0 | 110 | S2167 T2171 | S2167-V2169 PolarHBondContact O-N 3.49Å; S2167-V2169 VanDerWaalsContact O-N 3.09Å; V2169-T2171 PolarHBondContact O-N 3.15Å |
| 2170 | L | 70.7 | Confident | 66.6 | Low | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -70.7 | 126.3 | -177.8 | -162.7 | 67.2 | 0 | 0 | 0 | 110.9 | Q2031 I2034 L2129 L2156 V2174 L2175 | Q2031-L2170 HydrophobicContact CB-CB 4.46Å; Q2031-L2170 HydrophobicContact CG-CB 4.07Å; I2034-L2170 HydrophobicContact CB-CD1 4.24Å; I2034-L2170 HydrophobicContact CG2-CD1 3.75Å; L2129-L2170 HydrophobicContact CD2-CD2 4.06Å; L2156-L2170 HydrophobicContact CD2-CB 3.79Å; L2156-L2170 HydrophobicContact CD2-CD2 3.93Å; L2156-L2170 HydrophobicContact CD2-CG 3.84Å; L2156-L2170 WeakPolarHBondContact CD2-O 3.38Å; L2170-V2174 HydrophobicContact CD1-CG1 3.89Å; L2170-L2175 HydrophobicContact CD1-CD2 4.11Å; L2170-L2175 HydrophobicContact CD1-CG 4.36Å; L2170-L2175 HydrophobicContact CD2-CD1 4.28Å; L2170-L2175 HydrophobicContact CD2-CD2 4.19Å; L2170-L2175 HydrophobicContact CD2-CG 4.38Å; L2170-L2175 HydrophobicContact CG-CD1 4.48Å; L2170-L2175 HydrophobicContact CG-CD2 4.33Å; L2170-L2175 HydrophobicContact CG-CG 4.23Å | ||
| 2171 | T | 74.9 | Confident | 67.5 | Low | 10 Ų | 10 | 47 Ų | 47 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -118.3 | 163.5 | -179.8 | 69.7 | 0 | 0 | 0 | 0 | 112 | T2157 V2169 G2173 V2174 L2175 | T2157-T2171 WeakPolarHBondContact O-CB 3.49Å; T2157-T2171 WeakPolarHBondContact OG1-CG2 3.43Å; V2169-T2171 PolarHBondContact O-N 3.15Å; T2171-G2173 VanDerWaalsContact C-N 3.28Å; T2171-G2173 PolarHBondContact O-N 3.1Å; T2171-G2173 PolarHBondContact OG1-N 3.47Å; T2171-V2174 PolarHBondContact O-N 2.77Å; T2171-V2174 WeakPolarHBondContact OG1-CG2 3.34Å; T2171-V2174 PolarHBondContact OG1-N 2.98Å; T2171-L2175 PolarHBondContact O-N 2.9Å; T2171-L2175 VanDerWaalsContact O-N 3.13Å |
| 2172 | F | 75.9 | Confident | 68.6 | Low | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.4 | -36.7 | 171.3 | -81.3 | -82.7 | 0 | 0 | 0 | 112.5 | L2156 T2157 F2158 V2174 L2175 I2176 I2225 Q2228 L2232 L2246 L2250 | L2156-F2172 HydrophobicContact CB-CD2 3.7Å; L2156-F2172 HydrophobicContact CB-CE2 3.45Å; L2156-F2172 VanDerWaalsContact CB-CE2 3.45Å; L2156-F2172 HydrophobicContact CB-CZ 4.13Å; L2156-F2172 HydrophobicContact CD1-CD2 4.39Å; L2156-F2172 HydrophobicContact CD1-CE1 4.16Å; L2156-F2172 HydrophobicContact CD1-CE2 4.06Å; L2156-F2172 HydrophobicContact CD1-CZ 3.93Å; L2156-F2172 HydrophobicContact CG-CE2 4.38Å; T2157-F2172 PolarHBondContact O-N 3.31Å; F2158-F2172 HydrophobicContact CD2-CB 3.52Å; F2158-F2172 HydrophobicContact CD2-CD1 4.25Å; F2158-F2172 AromaticContact CD2-CD2 3.45Å; F2158-F2172 HydrophobicContact CD2-CD2 3.45Å; F2158-F2172 VanDerWaalsContact CD2-CD2 3.45Å; F2158-F2172 HydrophobicContact CD2-CE2 4.21Å; F2158-F2172 AromaticContact CD2-CG 3.47Å; F2158-F2172 HydrophobicContact CD2-CG 3.47Å; F2158-F2172 VanDerWaalsContact CD2-CG 3.47Å; F2158-F2172 HydrophobicContact CE2-CB 3.51Å; F2158-F2172 AromaticContact CE2-CD1 3.96Å; F2158-F2172 HydrophobicContact CE2-CD1 3.96Å; F2158-F2172 HydrophobicContact CE2-CD2 4.01Å; F2158-F2172 AromaticContact CE2-CG 3.55Å; F2158-F2172 HydrophobicContact CE2-CG 3.55Å; F2158-F2172 HydrophobicContact CG-CB 4.2Å; F2158-F2172 HydrophobicContact CG-CD2 4.36Å; F2158-F2172 HydrophobicContact CG-CG 4.49Å; F2158-F2172 HydrophobicContact CZ-CB 4.19Å; F2172-V2174 VanDerWaalsContact C-N 3.34Å; F2172-V2174 PolarHBondContact O-N 2.75Å; F2172-L2175 PolarHBondContact O-N 2.71Å; F2172-I2176 HydrophobicContact CB-CD1 4.41Å; F2172-I2176 VanDerWaalsContact O-CB 3.31Å; F2172-I2176 WeakPolarHBondContact O-CB 3.47Å; F2172-I2176 WeakPolarHBondContact O-CG1 3.49Å; F2172-I2176 PolarHBondContact O-N 3.37Å; F2172-I2225 HydrophobicContact CD1-CG2 4.36Å; F2172-I2225 HydrophobicContact CE1-CG2 4.28Å; F2172-Q2228 HydrophobicContact CZ-CB 4.04Å; F2172-L2232 HydrophobicContact CE2-CD1 3.42Å; F2172-L2232 VanDerWaalsContact CE2-CD1 3.42Å; F2172-L2232 HydrophobicContact CZ-CD1 3.75Å; F2172-L2246 HydrophobicContact CE2-CD1 4.12Å; F2172-L2246 HydrophobicContact CZ-CD1 4.35Å; F2172-L2250 HydrophobicContact CD1-CD1 4.09Å; F2172-L2250 HydrophobicContact CE1-CD1 4.13Å |
| 2173 | G | 73 | Confident | 69.5 | Low | 6 Ų | 6 | 39.2 Ų | 39.2 | 6% | 0.062 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.9 | -48.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T2171 I2176 T2177 | T2171-G2173 VanDerWaalsContact C-N 3.28Å; T2171-G2173 PolarHBondContact O-N 3.1Å; T2171-G2173 PolarHBondContact OG1-N 3.47Å; G2173-I2176 PolarHBondContact O-N 2.97Å; G2173-T2177 WeakPolarHBondContact O-CG2 3.31Å; G2173-T2177 PolarHBondContact O-N 3.16Å; G2173-T2177 PolarHBondContact O-OG1 3.05Å |
| 2174 | V | 74.7 | Confident | 70.6 | Confident | 22 Ų | 22 | 34.4 Ų | 34.4 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 178.3 | 168.8 | 0 | 0 | 0 | 0 | 112.6 | L2170 T2171 F2172 T2177 L2178 | L2170-V2174 HydrophobicContact CD1-CG1 3.89Å; T2171-V2174 PolarHBondContact O-N 2.77Å; T2171-V2174 WeakPolarHBondContact OG1-CG2 3.34Å; T2171-V2174 PolarHBondContact OG1-N 2.98Å; F2172-V2174 VanDerWaalsContact C-N 3.34Å; F2172-V2174 PolarHBondContact O-N 2.75Å; V2174-T2177 PolarHBondContact O-OG1 3.41Å; V2174-L2178 VanDerWaalsContact O-CB 3.24Å; V2174-L2178 WeakPolarHBondContact O-CB 3.21Å; V2174-L2178 PolarHBondContact O-N 3.42Å |
| 2175 | L | 76.4 | Confident | 71.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -72.1 | -36 | 177.8 | -70.1 | -178.6 | 0 | 0 | 0 | 112.6 | I2034 L2156 L2170 T2171 F2172 L2178 A2179 V2221 I2224 I2225 | I2034-L2175 HydrophobicContact CG2-CD2 4.31Å; L2156-L2175 HydrophobicContact CD1-CD1 3.63Å; L2170-L2175 HydrophobicContact CD1-CD2 4.11Å; L2170-L2175 HydrophobicContact CD1-CG 4.36Å; L2170-L2175 HydrophobicContact CD2-CD1 4.28Å; L2170-L2175 HydrophobicContact CD2-CD2 4.19Å; L2170-L2175 HydrophobicContact CD2-CG 4.38Å; L2170-L2175 HydrophobicContact CG-CD1 4.48Å; L2170-L2175 HydrophobicContact CG-CD2 4.33Å; L2170-L2175 HydrophobicContact CG-CG 4.23Å; T2171-L2175 PolarHBondContact O-N 2.9Å; T2171-L2175 VanDerWaalsContact O-N 3.13Å; F2172-L2175 PolarHBondContact O-N 2.71Å; L2175-L2178 PolarHBondContact O-N 3.03Å; L2175-A2179 WeakPolarHBondContact O-CB 3.24Å; L2175-A2179 PolarHBondContact O-N 3.03Å; L2175-V2221 HydrophobicContact CB-CG1 4.43Å; L2175-V2221 HydrophobicContact CD2-CG1 4.42Å; L2175-V2221 WeakPolarHBondContact O-CG1 3.22Å; L2175-I2224 HydrophobicContact CD1-CG2 3.79Å; L2175-I2225 HydrophobicContact CB-CD1 3.9Å; L2175-I2225 HydrophobicContact CB-CG1 3.69Å; L2175-I2225 HydrophobicContact CD1-CG1 4.09Å |
| 2176 | I | 77.1 | Confident | 72.3 | Confident | 15 Ų | 15 | 26.4 Ų | 26.4 | 8% | 0.077 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.5 | -42 | 176.6 | -71 | 168.1 | 0 | 0 | 0 | 110.6 | F2158 F2172 G2173 A2179 N2180 I2225 E2253 | F2158-I2176 HydrophobicContact CZ-CD1 4.29Å; F2172-I2176 HydrophobicContact CB-CD1 4.41Å; F2172-I2176 VanDerWaalsContact O-CB 3.31Å; F2172-I2176 WeakPolarHBondContact O-CB 3.47Å; F2172-I2176 WeakPolarHBondContact O-CG1 3.49Å; F2172-I2176 PolarHBondContact O-N 3.37Å; G2173-I2176 PolarHBondContact O-N 2.97Å; I2176-A2179 PolarHBondContact O-N 2.87Å; I2176-N2180 WeakPolarHBondContact O-CB 3.26Å; I2176-N2180 PolarHBondContact O-N 2.9Å; I2176-N2180 PolarHBondContact O-ND2 3.26Å; I2176-I2225 HydrophobicContact CG1-CD1 4.26Å; I2176-E2253 HydrophobicContact CD1-CB 4.49Å; I2176-E2253 HydrophobicContact CG2-CB 3.93Å; I2176-E2253 HydrophobicContact CG2-CG 3.82Å; I2176-E2253 WeakPolarHBondContact CG2-OE2 3.18Å |
| 2177 | T | 74.9 | Confident | 73 | Confident | 17 Ų | 17 | 22.1 Ų | 22.1 | 10% | 0.104 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.1 | -34.2 | 176.1 | 60.3 | 0 | 0 | 0 | 0 | 112.7 | Q2042 P2161 G2173 V2174 N2180 S2181 | Q2042-T2177 PolarHBondContact OE1-OG1 3.44Å; P2161-T2177 HydrophobicContact CB-CG2 3.69Å; G2173-T2177 WeakPolarHBondContact O-CG2 3.31Å; G2173-T2177 PolarHBondContact O-N 3.16Å; G2173-T2177 PolarHBondContact O-OG1 3.05Å; V2174-T2177 PolarHBondContact O-OG1 3.41Å; T2177-N2180 PolarHBondContact O-N 3.12Å; T2177-S2181 WeakPolarHBondContact O-CB 3.35Å; T2177-S2181 PolarHBondContact O-N 3.28Å; T2177-S2181 PolarHBondContact O-OG 3.37Å |
| 2178 | L | 78.5 | Confident | 73.4 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67 | -39.4 | 171.2 | -173.7 | 149.9 | 0 | 0 | 0 | 111.5 | I2034 L2122 V2174 L2175 S2181 L2182 V2221 | I2034-L2178 HydrophobicContact CG2-CD1 4.28Å; L2122-L2178 HydrophobicContact CD1-CD1 3.94Å; L2122-L2178 HydrophobicContact CD2-CD1 4.15Å; L2122-L2178 HydrophobicContact CD2-CD2 4.22Å; V2174-L2178 VanDerWaalsContact O-CB 3.24Å; V2174-L2178 WeakPolarHBondContact O-CB 3.21Å; V2174-L2178 PolarHBondContact O-N 3.42Å; L2175-L2178 PolarHBondContact O-N 3.03Å; L2178-S2181 WeakPolarHBondContact CA-OG 3.32Å; L2178-S2181 PolarHBondContact O-OG 2.85Å; L2178-L2182 HydrophobicContact CD2-CD1 3.6Å; L2178-L2182 HydrophobicContact CD2-CG 4.3Å; L2178-L2182 HydrophobicContact CG-CD1 4.46Å; L2178-L2182 WeakPolarHBondContact O-CB 3.19Å; L2178-L2182 VanDerWaalsContact O-CG 3.31Å; L2178-L2182 WeakPolarHBondContact O-CG 3.48Å; L2178-L2182 PolarHBondContact O-N 2.96Å; L2178-V2221 HydrophobicContact CD2-CB 4.14Å; L2178-V2221 HydrophobicContact CD2-CG1 3.89Å; L2178-V2221 HydrophobicContact CD2-CG2 3.25Å |
| 2179 | A | 78.4 | Confident | 73.7 | Confident | 3 Ų | 3 | 21.7 Ų | 21.7 | 3% | 0.025 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.5 | -46.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L2175 I2176 S2181 L2182 G2183 Y2218 V2221 I2225 | L2175-A2179 WeakPolarHBondContact O-CB 3.24Å; L2175-A2179 PolarHBondContact O-N 3.03Å; I2176-A2179 PolarHBondContact O-N 2.87Å; A2179-S2181 PolarHBondContact O-N 3.38Å; A2179-L2182 PolarHBondContact O-N 3.35Å; A2179-G2183 PolarHBondContact O-N 3.41Å; A2179-Y2218 HydrophobicContact CB-CD2 4.28Å; A2179-Y2218 HydrophobicContact CB-CE2 4.1Å; A2179-Y2218 VanDerWaalsContact O-CD2 3.31Å; A2179-Y2218 WeakPolarHBondContact O-CD2 3.31Å; A2179-Y2218 VanDerWaalsContact O-CE2 3.23Å; A2179-Y2218 WeakPolarHBondContact O-CE2 3.41Å; A2179-V2221 HydrophobicContact CB-CG1 3.91Å; A2179-I2225 HydrophobicContact CB-CD1 4.31Å |
| 2180 | N | 76.1 | Confident | 73.6 | Confident | 45 Ų | 45 | 20.4 Ų | 20.4 | 24% | 0.241 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 178.4 | -83.1 | -30.3 | 0 | 0 | 0 | 111.7 | I2176 T2177 S2184 E2253 C2257 | I2176-N2180 WeakPolarHBondContact O-CB 3.26Å; I2176-N2180 PolarHBondContact O-N 2.9Å; I2176-N2180 PolarHBondContact O-ND2 3.26Å; T2177-N2180 PolarHBondContact O-N 3.12Å; N2180-S2184 WeakPolarHBondContact O-CB 3.38Å; N2180-S2184 PolarHBondContact O-N 3.16Å; N2180-E2253 PolarHBondContact ND2-OE2 2.96Å; N2180-C2257 PolarHBondContact OD1-SG 2.99Å |
| 2181 | S | 76.5 | Confident | 73.3 | Confident | 9 Ų | 9 | 24.3 Ų | 24.3 | 6% | 0.063 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.9 | -47.1 | 176.3 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | T2177 L2178 A2179 G2183 S2184 L2185 | T2177-S2181 WeakPolarHBondContact O-CB 3.35Å; T2177-S2181 PolarHBondContact O-N 3.28Å; T2177-S2181 PolarHBondContact O-OG 3.37Å; L2178-S2181 WeakPolarHBondContact CA-OG 3.32Å; L2178-S2181 PolarHBondContact O-OG 2.85Å; A2179-S2181 PolarHBondContact O-N 3.38Å; S2181-G2183 PolarHBondContact O-N 3.49Å; S2181-S2184 PolarHBondContact O-N 2.97Å; S2181-S2184 PolarHBondContact O-OG 3.4Å; S2181-L2185 WeakPolarHBondContact O-CB 3.45Å; S2181-L2185 PolarHBondContact O-N 3Å; S2181-L2185 VanDerWaalsContact O-N 3.1Å |
| 2182 | L | 76.9 | Confident | 72.5 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60 | -41.5 | 173.6 | -72.4 | 175.8 | 0 | 0 | 0 | 112.4 | L2122 L2178 A2179 L2185 S2186 V2214 A2217 Y2218 V2221 | L2122-L2182 HydrophobicContact CD2-CD1 4.23Å; L2122-L2182 HydrophobicContact CD2-CD2 4.45Å; L2178-L2182 HydrophobicContact CD2-CD1 3.6Å; L2178-L2182 HydrophobicContact CD2-CG 4.3Å; L2178-L2182 HydrophobicContact CG-CD1 4.46Å; L2178-L2182 WeakPolarHBondContact O-CB 3.19Å; L2178-L2182 VanDerWaalsContact O-CG 3.31Å; L2178-L2182 WeakPolarHBondContact O-CG 3.48Å; L2178-L2182 PolarHBondContact O-N 2.96Å; A2179-L2182 PolarHBondContact O-N 3.35Å; L2182-L2185 PolarHBondContact O-N 3.4Å; L2182-L2185 VanDerWaalsContact O-N 3.16Å; L2182-S2186 WeakPolarHBondContact O-CB 3.32Å; L2182-S2186 PolarHBondContact O-N 3.06Å; L2182-V2214 HydrophobicContact CD2-CG1 4.36Å; L2182-A2217 HydrophobicContact CD1-CB 3.74Å; L2182-A2217 HydrophobicContact CD2-CB 4.35Å; L2182-Y2218 HydrophobicContact CB-CD2 4.21Å; L2182-V2221 HydrophobicContact CD1-CG2 4.28Å |
| 2183 | G | 74.3 | Confident | 71.5 | Confident | 21 Ų | 21 | 31.1 Ų | 31.1 | 22% | 0.216 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A2179 S2181 L2185 S2186 S2187 | A2179-G2183 PolarHBondContact O-N 3.41Å; S2181-G2183 PolarHBondContact O-N 3.49Å; G2183-L2185 PolarHBondContact O-N 3.15Å; G2183-S2186 PolarHBondContact O-N 3.31Å; G2183-S2187 PolarHBondContact O-N 3.07Å; G2183-S2187 PolarHBondContact O-OG 2.91Å |
| 2184 | S | 72.9 | Confident | 70.8 | Confident | 17 Ų | 17 | 38.1 Ų | 38.1 | 12% | 0.119 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -23.7 | 174.1 | 85.5 | 0 | 0 | 0 | 0 | 113.5 | N2180 S2181 S2187 K2188 | N2180-S2184 WeakPolarHBondContact O-CB 3.38Å; N2180-S2184 PolarHBondContact O-N 3.16Å; S2181-S2184 PolarHBondContact O-N 2.97Å; S2181-S2184 PolarHBondContact O-OG 3.4Å; S2184-S2187 PolarHBondContact O-OG 3.45Å; S2184-S2187 VanDerWaalsContact O-OG 3.11Å; S2184-K2188 VanDerWaalsContact O-CD 3.3Å; S2184-K2188 WeakPolarHBondContact O-CD 3.25Å; S2184-K2188 VanDerWaalsContact O-CG 3.28Å; S2184-K2188 WeakPolarHBondContact O-CG 3.27Å |
| 2185 | L | 71.5 | Confident | 69.8 | Low | 21 Ų | 21 | 41.2 Ų | 41.2 | 11% | 0.11 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -96.7 | -34.4 | -176.5 | -159.9 | 139.7 | 0 | 0 | 0 | 111.5 | F2115 S2181 L2182 G2183 S2187 K2188 L2189 V2214 | F2115-L2185 HydrophobicContact CE1-CD1 4.14Å; F2115-L2185 HydrophobicContact CE1-CD2 3.55Å; F2115-L2185 HydrophobicContact CE1-CG 4.46Å; F2115-L2185 HydrophobicContact CE2-CD1 3.91Å; F2115-L2185 HydrophobicContact CZ-CD1 3.31Å; F2115-L2185 HydrophobicContact CZ-CD2 3.48Å; F2115-L2185 VanDerWaalsContact CZ-CD2 3.48Å; F2115-L2185 HydrophobicContact CZ-CG 4.01Å; S2181-L2185 WeakPolarHBondContact O-CB 3.45Å; S2181-L2185 PolarHBondContact O-N 3Å; S2181-L2185 VanDerWaalsContact O-N 3.1Å; L2182-L2185 PolarHBondContact O-N 3.4Å; L2182-L2185 VanDerWaalsContact O-N 3.16Å; G2183-L2185 PolarHBondContact O-N 3.15Å; L2185-S2187 VanDerWaalsContact C-N 3.35Å; L2185-K2188 PolarHBondContact O-N 3.41Å; L2185-L2189 HydrophobicContact CD2-CD1 3.67Å; L2185-L2189 HydrophobicContact CD2-CG 4.04Å; L2185-L2189 WeakPolarHBondContact O-CB 3.3Å; L2185-L2189 WeakPolarHBondContact O-CG 3.39Å; L2185-L2189 PolarHBondContact O-N 2.96Å; L2185-V2214 HydrophobicContact CD2-CG1 4.27Å; L2185-V2214 HydrophobicContact CD2-CG2 3.97Å |
| 2186 | S | 73.5 | Confident | 68.5 | Low | 27 Ų | 27 | 43.1 Ų | 43.1 | 19% | 0.189 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.8 | -45.7 | 165.9 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | L2182 G2183 K2188 L2189 S2190 | L2182-S2186 WeakPolarHBondContact O-CB 3.32Å; L2182-S2186 PolarHBondContact O-N 3.06Å; G2183-S2186 PolarHBondContact O-N 3.31Å; S2186-K2188 PolarHBondContact O-N 3.41Å; S2186-L2189 PolarHBondContact O-N 2.97Å; S2186-S2190 VanDerWaalsContact O-CB 3.24Å; S2186-S2190 WeakPolarHBondContact O-CB 3.43Å; S2186-S2190 PolarHBondContact O-N 3.24Å |
| 2187 | S | 69 | Low | 67.3 | Low | 55 Ų | 55 | 48.9 Ų | 48.9 | 39% | 0.385 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65 | -37.3 | 177.4 | 66.3 | 0 | 0 | 0 | 0 | 113 | G2183 S2184 L2185 S2191 | G2183-S2187 PolarHBondContact O-N 3.07Å; G2183-S2187 PolarHBondContact O-OG 2.91Å; S2184-S2187 PolarHBondContact O-OG 3.45Å; S2184-S2187 VanDerWaalsContact O-OG 3.11Å; L2185-S2187 VanDerWaalsContact C-N 3.35Å; S2187-S2191 PolarHBondContact O-N 3.09Å |
| 2188 | K | 68.5 | Low | 66.1 | Low | 100 Ų | 100 | 53.6 Ų | 53.6 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 172.2 | -71.6 | 167.6 | -171.7 | 164.8 | 0 | 111.9 | S2184 L2185 S2186 S2190 S2191 V2192 | S2184-K2188 VanDerWaalsContact O-CD 3.3Å; S2184-K2188 WeakPolarHBondContact O-CD 3.25Å; S2184-K2188 VanDerWaalsContact O-CG 3.28Å; S2184-K2188 WeakPolarHBondContact O-CG 3.27Å; L2185-K2188 PolarHBondContact O-N 3.41Å; S2186-K2188 PolarHBondContact O-N 3.41Å; K2188-S2190 PolarHBondContact O-N 3.3Å; K2188-S2191 PolarHBondContact O-N 3.29Å; K2188-S2191 PolarHBondContact O-OG 3.47Å; K2188-V2192 PolarHBondContact O-N 2.88Å |
| 2189 | L | 66.4 | Low | 64.5 | Low | 18 Ų | 18 | 57 Ų | 57 | 9% | 0.094 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 177.2 | -73 | 176.3 | 0 | 0 | 0 | 112.1 | L2185 S2186 S2191 V2192 W2193 L2210 V2214 | L2185-L2189 HydrophobicContact CD2-CD1 3.67Å; L2185-L2189 HydrophobicContact CD2-CG 4.04Å; L2185-L2189 WeakPolarHBondContact O-CB 3.3Å; L2185-L2189 WeakPolarHBondContact O-CG 3.39Å; L2185-L2189 PolarHBondContact O-N 2.96Å; S2186-L2189 PolarHBondContact O-N 2.97Å; L2189-S2191 VanDerWaalsContact C-N 3.31Å; L2189-S2191 PolarHBondContact O-N 3.22Å; L2189-V2192 PolarHBondContact O-N 3.19Å; L2189-W2193 WeakPolarHBondContact O-CB 3.33Å; L2189-W2193 PolarHBondContact O-N 2.87Å; L2189-L2210 HydrophobicContact CD1-CD2 4.2Å; L2189-L2210 HydrophobicContact CD1-CG 4.04Å; L2189-L2210 HydrophobicContact CD2-CD2 4.14Å; L2189-V2214 HydrophobicContact CD1-CB 4.25Å; L2189-V2214 HydrophobicContact CD1-CG2 3.79Å |
| 2190 | S | 65.8 | Low | 63.1 | Low | 41 Ų | 41 | 67 Ų | 67 | 29% | 0.287 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.8 | -33.8 | 178.3 | -168.3 | 0 | 0 | 0 | 0 | 112.7 | S2186 K2188 W2193 K2194 | S2186-S2190 VanDerWaalsContact O-CB 3.24Å; S2186-S2190 WeakPolarHBondContact O-CB 3.43Å; S2186-S2190 PolarHBondContact O-N 3.24Å; K2188-S2190 PolarHBondContact O-N 3.3Å; S2190-W2193 PolarHBondContact O-N 3.14Å; S2190-K2194 PolarHBondContact O-N 3.38Å |
| 2191 | S | 63.9 | Low | 61.9 | Low | 82 Ų | 82 | 67.2 Ų | 67.2 | 57% | 0.573 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -69.5 | -36.5 | 174.5 | 77 | 0 | 0 | 0 | 0 | 112.4 | S2187 K2188 L2189 | S2187-S2191 PolarHBondContact O-N 3.09Å; K2188-S2191 PolarHBondContact O-N 3.29Å; K2188-S2191 PolarHBondContact O-OG 3.47Å; L2189-S2191 VanDerWaalsContact C-N 3.31Å; L2189-S2191 PolarHBondContact O-N 3.22Å |
| 2192 | V | 58.2 | Low | 60.8 | Low | 51 Ų | 51 | 71.4 Ų | 71.4 | 31% | 0.309 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.5 | -41.7 | 172.1 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | K2188 L2189 K2194 S2195 | K2188-V2192 PolarHBondContact O-N 2.88Å; L2189-V2192 PolarHBondContact O-N 3.19Å; V2192-K2194 VanDerWaalsContact C-N 3.27Å; V2192-K2194 PolarHBondContact O-N 3.04Å; V2192-S2195 WeakPolarHBondContact O-CA 3.36Å; V2192-S2195 WeakPolarHBondContact O-CB 3.44Å; V2192-S2195 PolarHBondContact O-N 3.41Å; V2192-S2195 PolarHBondContact O-OG 3.08Å |
| 2193 | W | 55.5 | Low | 59.5 | Low | 103 Ų | 103 | 75 Ų | 75 | 39% | 0.39 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.4 | -38.3 | -177.9 | 178.5 | 57.6 | 0 | 0 | 0 | 112.5 | L2189 S2190 S2195 C2196 | L2189-W2193 WeakPolarHBondContact O-CB 3.33Å; L2189-W2193 PolarHBondContact O-N 2.87Å; S2190-W2193 PolarHBondContact O-N 3.14Å; W2193-S2195 PolarHBondContact O-N 2.99Å; W2193-S2195 VanDerWaalsContact O-N 3.15Å; W2193-C2196 PolarHBondContact O-N 2.89Å; W2193-C2196 VanDerWaalsContact O-N 3.1Å |
| 2194 | K | 57.3 | Low | 58.7 | Low | 153 Ų | 153 | 75 Ų | 75 | 67% | 0.665 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -15.2 | 174 | -74 | 177.2 | 179.5 | 174.9 | 0 | 114.6 | S2190 V2192 | S2190-K2194 PolarHBondContact O-N 3.38Å; V2192-K2194 VanDerWaalsContact C-N 3.27Å; V2192-K2194 PolarHBondContact O-N 3.04Å |
| 2195 | S | 54.9 | Low | 58.1 | Low | 86 Ų | 86 | 81 Ų | 81 | 60% | 0.601 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -10.7 | 175 | 74.7 | 0 | 0 | 0 | 0 | 114.3 | V2192 W2193 | V2192-S2195 WeakPolarHBondContact O-CA 3.36Å; V2192-S2195 WeakPolarHBondContact O-CB 3.44Å; V2192-S2195 PolarHBondContact O-N 3.41Å; V2192-S2195 PolarHBondContact O-OG 3.08Å; W2193-S2195 PolarHBondContact O-N 2.99Å; W2193-S2195 VanDerWaalsContact O-N 3.15Å |
| 2196 | C | 48.5 | Very low | 57.3 | Low | 41 Ų | 41 | 84.3 Ų | 84.3 | 28% | 0.277 | 47% | 0.466 | S | S | . | . | trans | -112.5 | 14.4 | -172.3 | -60.2 | 0 | 0 | 0 | 0 | 114.5 | W2193 S2198 | W2193-C2196 PolarHBondContact O-N 2.89Å; W2193-C2196 VanDerWaalsContact O-N 3.1Å; C2196-S2198 PolarHBondContact O-N 3.2Å | ||
| 2197 | Q | 52.1 | Low | 56.7 | Low | 136 Ų | 136 | 87.1 Ų | 87.1 | 64% | 0.636 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 0.4 | -173.8 | -69.8 | -170.9 | -25.4 | 0 | 0 | 115.3 | ||
| 2198 | S | 49.3 | Very low | 56.6 | Low | 115 Ų | 115 | 92 Ų | 92 | 80% | 0.804 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | 10 | -170.4 | 57.6 | 0 | 0 | 0 | 0 | 116.3 | C2196 | C2196-S2198 PolarHBondContact O-N 3.2Š|
| 2199 | S | 45.2 | Very low | 56.6 | Low | 72 Ų | 72 | 90.3 Ų | 90.3 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | trans | -148.6 | 129.4 | 173.9 | 62.3 | 0 | 0 | 0 | 0 | 114.5 | S2201 A2204 | S2199-S2201 PolarHBondContact O-N 3.05Å; S2199-A2204 WeakPolarHBondContact O-CB 3.29Å | ||
| 2200 | E | 48.1 | Very low | 56.7 | Low | 213 Ų | 213 | 90.1 Ų | 90.1 | 100% | 0.995 | 48% | 0.477 | S | S | * | . | trans | -80.1 | 54.6 | 175.2 | -63.4 | -166.4 | 126.8 | 0 | 0 | 111.9 | ||||
| 2201 | S | 51.8 | Low | 56.9 | Low | 50 Ų | 50 | 89 Ų | 89 | 35% | 0.35 | 47% | 0.469 | S | S | . | . | trans | -80.9 | 148.9 | 171.2 | 63.6 | 0 | 0 | 0 | 0 | 111.2 | S2199 V2203 A2204 Q2205 | S2199-S2201 PolarHBondContact O-N 3.05Å; S2201-V2203 PolarHBondContact O-N 3.31Å; S2201-V2203 VanDerWaalsContact O-N 3.13Å; S2201-A2204 WeakPolarHBondContact O-CA 3.46Å; S2201-A2204 WeakPolarHBondContact O-CB 3.42Å; S2201-A2204 PolarHBondContact O-N 3.13Å; S2201-A2204 WeakPolarHBondContact OG-CB 3.37Å; S2201-A2204 PolarHBondContact OG-N 2.9Å; S2201-A2204 VanDerWaalsContact OG-N 3.11Å; S2201-Q2205 PolarHBondContact O-N 3Å | ||
| 2202 | V | 52.8 | Low | 57.2 | Low | 97 Ų | 97 | 88.9 Ų | 88.9 | 59% | 0.588 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -55.7 | -30.9 | 172 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | Q2205 K2206 | V2202-Q2205 PolarHBondContact O-N 3.47Å; V2202-K2206 PolarHBondContact O-N 2.81Å |
| 2203 | V | 50.9 | Low | 58 | Low | 77 Ų | 77 | 87.2 Ų | 87.2 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66 | -41.9 | 173.5 | -179 | 0 | 0 | 0 | 0 | 111.8 | S2201 K2207 | S2201-V2203 PolarHBondContact O-N 3.31Å; S2201-V2203 VanDerWaalsContact O-N 3.13Å; V2203-K2207 HydrophobicContact CG1-CD 4.04Å; V2203-K2207 WeakPolarHBondContact O-CB 3.47Å; V2203-K2207 VanDerWaalsContact O-CG 3.3Å; V2203-K2207 WeakPolarHBondContact O-CG 3.35Å; V2203-K2207 PolarHBondContact O-N 2.84Å |
| 2204 | A | 56.3 | Low | 58.9 | Low | 21 Ų | 21 | 82.3 Ų | 82.3 | 17% | 0.174 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S2199 S2201 K2207 R2208 | S2199-A2204 WeakPolarHBondContact O-CB 3.29Å; S2201-A2204 WeakPolarHBondContact O-CA 3.46Å; S2201-A2204 WeakPolarHBondContact O-CB 3.42Å; S2201-A2204 PolarHBondContact O-N 3.13Å; S2201-A2204 WeakPolarHBondContact OG-CB 3.37Å; S2201-A2204 PolarHBondContact OG-N 2.9Å; S2201-A2204 VanDerWaalsContact OG-N 3.11Å; A2204-K2207 PolarHBondContact O-N 2.8Å; A2204-R2208 VanDerWaalsContact O-CB 3.27Å; A2204-R2208 WeakPolarHBondContact O-CB 3.49Å; A2204-R2208 PolarHBondContact O-N 3.23Å |
| 2205 | Q | 60.4 | Low | 59.7 | Low | 141 Ų | 141 | 79 Ų | 79 | 66% | 0.659 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.5 | -47.8 | 175.5 | -166.2 | 174.3 | 6.7 | 0 | 0 | 112 | S2201 V2202 K2207 R2208 E2209 | S2201-Q2205 PolarHBondContact O-N 3Å; V2202-Q2205 PolarHBondContact O-N 3.47Å; Q2205-K2207 PolarHBondContact O-N 3.47Å; Q2205-R2208 WeakPolarHBondContact O-CB 3.36Å; Q2205-R2208 PolarHBondContact O-N 3.07Å; Q2205-E2209 PolarHBondContact O-N 2.95Å |
| 2206 | K | 55.1 | Low | 60.5 | Low | 92 Ų | 92 | 77.5 Ų | 77.5 | 40% | 0.4 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 174.5 | -73.5 | -174 | 177.4 | -175.4 | 0 | 112.7 | V2202 E2209 L2210 | V2202-K2206 PolarHBondContact O-N 2.81Å; K2206-E2209 PolarHBondContact O-N 2.89Å; K2206-L2210 WeakPolarHBondContact O-CB 3.5Å; K2206-L2210 PolarHBondContact O-N 3.42Å |
| 2207 | K | 60.7 | Low | 61.8 | Low | 86 Ų | 86 | 75.5 Ų | 75.5 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.4 | -34.9 | 174.6 | -75.5 | 175.6 | -179.8 | 175.1 | 0 | 112.5 | V2203 A2204 Q2205 C2211 | V2203-K2207 HydrophobicContact CG1-CD 4.04Å; V2203-K2207 WeakPolarHBondContact O-CB 3.47Å; V2203-K2207 VanDerWaalsContact O-CG 3.3Å; V2203-K2207 WeakPolarHBondContact O-CG 3.35Å; V2203-K2207 PolarHBondContact O-N 2.84Å; A2204-K2207 PolarHBondContact O-N 2.8Å; Q2205-K2207 PolarHBondContact O-N 3.47Å; K2207-C2211 WeakPolarHBondContact O-CB 3.13Å; K2207-C2211 PolarHBondContact O-N 3.13Å |
| 2208 | R | 66.5 | Low | 63.1 | Low | 157 Ų | 157 | 71.1 Ų | 71.1 | 59% | 0.592 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.3 | -45.7 | 173.2 | -167.9 | 179.4 | -165.5 | 161.5 | 2.1 | 110.9 | A2204 Q2205 C2211 C2212 | A2204-R2208 VanDerWaalsContact O-CB 3.27Å; A2204-R2208 WeakPolarHBondContact O-CB 3.49Å; A2204-R2208 PolarHBondContact O-N 3.23Å; Q2205-R2208 WeakPolarHBondContact O-CB 3.36Å; Q2205-R2208 PolarHBondContact O-N 3.07Å; R2208-C2211 PolarHBondContact O-N 2.89Å; R2208-C2212 PolarHBondContact O-N 3.27Å; R2208-C2212 PolarHBondContact O-SG 2.8Å; R2208-C2212 VanDerWaalsContact O-SG 3.35Å |
| 2209 | E | 68.6 | Low | 64.4 | Low | 64 Ų | 64 | 67.5 Ų | 67.5 | 30% | 0.299 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.3 | -51.1 | 173.3 | -163.4 | -160.9 | 156.1 | 0 | 0 | 110.6 | R2120 Q2205 K2206 C2211 C2212 L2213 | R2120-E2209 IonicContact CZ-OE1 2.71Å; R2120-E2209 IonicContact NE-OE1 3.21Å; R2120-E2209 PolarHBondContact NE-OE1 2.91Å; R2120-E2209 IonicContact NH2-OE1 3.98Å; R2120-E2209 PolarHBondContact NH2-OE1 3Å; R2120-E2209 IonicContact NH2-OE2 2.66Å; R2120-E2209 PolarHBondContact NH2-OE2 2.88Å; Q2205-E2209 PolarHBondContact O-N 2.95Å; K2206-E2209 PolarHBondContact O-N 2.89Å; E2209-C2211 VanDerWaalsContact C-N 3.32Å; E2209-C2211 PolarHBondContact O-N 2.84Å; E2209-C2212 PolarHBondContact O-N 3.05Å; E2209-L2213 HydrophobicContact CG-CD1 3.91Å; E2209-L2213 HydrophobicContact CG-CG 4.29Å; E2209-L2213 WeakPolarHBondContact O-CB 3.43Å; E2209-L2213 VanDerWaalsContact O-CG 3.25Å; E2209-L2213 WeakPolarHBondContact O-CG 3.41Å; E2209-L2213 PolarHBondContact O-N 2.86Å |
| 2210 | L | 69.8 | Low | 65.8 | Low | 14 Ų | 14 | 64.6 Ų | 64.6 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -54.8 | -45.2 | 177.2 | -175.6 | 64.5 | 0 | 0 | 0 | 112.3 | F2115 L2116 I2119 L2189 K2206 L2213 V2214 | F2115-L2210 HydrophobicContact CD1-CD1 4.08Å; F2115-L2210 HydrophobicContact CD1-CD2 4.32Å; F2115-L2210 HydrophobicContact CE1-CD1 4.29Å; L2116-L2210 HydrophobicContact CB-CD1 3.94Å; L2116-L2210 HydrophobicContact CD1-CB 4.27Å; L2116-L2210 HydrophobicContact CD1-CD1 4.34Å; L2116-L2210 HydrophobicContact CG-CD1 4.19Å; I2119-L2210 HydrophobicContact CD1-CD1 3.59Å; L2189-L2210 HydrophobicContact CD1-CD2 4.2Å; L2189-L2210 HydrophobicContact CD1-CG 4.04Å; L2189-L2210 HydrophobicContact CD2-CD2 4.14Å; K2206-L2210 WeakPolarHBondContact O-CB 3.5Å; K2206-L2210 PolarHBondContact O-N 3.42Å; L2210-L2213 PolarHBondContact O-N 2.97Å; L2210-V2214 HydrophobicContact CD1-CG2 4.48Å; L2210-V2214 WeakPolarHBondContact O-CG2 3.37Å; L2210-V2214 PolarHBondContact O-N 2.93Å |
| 2211 | C | 69.9 | Low | 67.2 | Low | 18 Ų | 18 | 54.4 Ų | 54.4 | 12% | 0.122 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 179.9 | -161.4 | 0 | 0 | 0 | 0 | 112.1 | K2207 R2208 E2209 Q2215 | K2207-C2211 WeakPolarHBondContact O-CB 3.13Å; K2207-C2211 PolarHBondContact O-N 3.13Å; R2208-C2211 PolarHBondContact O-N 2.89Å; E2209-C2211 VanDerWaalsContact C-N 3.32Å; E2209-C2211 PolarHBondContact O-N 2.84Å; C2211-Q2215 WeakPolarHBondContact O-CB 3.47Å; C2211-Q2215 PolarHBondContact O-N 2.88Å |
| 2212 | C | 70.5 | Confident | 68.3 | Low | 79 Ų | 79 | 52.2 Ų | 52.2 | 53% | 0.534 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65 | -38.9 | 174.1 | -68.4 | 0 | 0 | 0 | 0 | 112.2 | R2208 E2209 R2216 | R2208-C2212 PolarHBondContact O-N 3.27Å; R2208-C2212 PolarHBondContact O-SG 2.8Å; R2208-C2212 VanDerWaalsContact O-SG 3.35Å; E2209-C2212 PolarHBondContact O-N 3.05Å; C2212-R2216 WeakPolarHBondContact O-CB 3.39Å; C2212-R2216 PolarHBondContact O-N 3.2Å |
| 2213 | L | 73.4 | Confident | 69.3 | Low | 17 Ų | 17 | 48.8 Ų | 48.8 | 9% | 0.089 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.3 | -47.4 | 175.8 | -70.1 | 170.9 | 0 | 0 | 0 | 111.2 | L2116 I2119 R2120 I2123 E2209 L2210 Q2215 R2216 A2217 | L2116-L2213 HydrophobicContact CG-CD1 4.47Å; I2119-L2213 HydrophobicContact CG2-CB 3.8Å; R2120-L2213 HydrophobicContact CG-CD1 3.84Å; I2123-L2213 HydrophobicContact CD1-CB 3.74Å; I2123-L2213 HydrophobicContact CD1-CD2 3.57Å; I2123-L2213 HydrophobicContact CD1-CG 4.23Å; I2123-L2213 WeakPolarHBondContact CD1-O 3.38Å; E2209-L2213 HydrophobicContact CG-CD1 3.91Å; E2209-L2213 HydrophobicContact CG-CG 4.29Å; E2209-L2213 WeakPolarHBondContact O-CB 3.43Å; E2209-L2213 VanDerWaalsContact O-CG 3.25Å; E2209-L2213 WeakPolarHBondContact O-CG 3.41Å; E2209-L2213 PolarHBondContact O-N 2.86Å; L2210-L2213 PolarHBondContact O-N 2.97Å; L2213-Q2215 PolarHBondContact O-N 3.3Å; L2213-R2216 PolarHBondContact O-N 3.19Å; L2213-A2217 WeakPolarHBondContact O-CB 3.47Å; L2213-A2217 PolarHBondContact O-N 2.7Å |
| 2214 | V | 74.7 | Confident | 70.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.2 | -46.3 | 175.8 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | I2119 L2182 L2185 L2189 L2210 R2216 A2217 Y2218 | I2119-V2214 HydrophobicContact CD1-CG2 3.37Å; I2119-V2214 HydrophobicContact CG1-CG2 4.35Å; L2182-V2214 HydrophobicContact CD2-CG1 4.36Å; L2185-V2214 HydrophobicContact CD2-CG1 4.27Å; L2185-V2214 HydrophobicContact CD2-CG2 3.97Å; L2189-V2214 HydrophobicContact CD1-CB 4.25Å; L2189-V2214 HydrophobicContact CD1-CG2 3.79Å; L2210-V2214 HydrophobicContact CD1-CG2 4.48Å; L2210-V2214 WeakPolarHBondContact O-CG2 3.37Å; L2210-V2214 PolarHBondContact O-N 2.93Å; V2214-R2216 VanDerWaalsContact C-N 3.32Å; V2214-R2216 PolarHBondContact O-N 2.91Å; V2214-A2217 PolarHBondContact O-N 2.93Å; V2214-Y2218 WeakPolarHBondContact O-CB 3.49Å; V2214-Y2218 PolarHBondContact O-N 2.85Å |
| 2215 | Q | 74.8 | Confident | 71.3 | Confident | 83 Ų | 83 | 44.2 Ų | 44.2 | 39% | 0.388 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.2 | -43.5 | 176.3 | -178.3 | -179 | -28.3 | 0 | 0 | 111.1 | C2211 L2213 Y2218 E2219 | C2211-Q2215 WeakPolarHBondContact O-CB 3.47Å; C2211-Q2215 PolarHBondContact O-N 2.88Å; L2213-Q2215 PolarHBondContact O-N 3.3Å; Q2215-Y2218 WeakPolarHBondContact O-CB 3.46Å; Q2215-Y2218 PolarHBondContact O-N 2.95Å; Q2215-E2219 WeakPolarHBondContact CG-OE1 3.24Å; Q2215-E2219 PolarHBondContact NE2-OE1 2.93Å; Q2215-E2219 WeakPolarHBondContact O-CG 3.46Å; Q2215-E2219 PolarHBondContact O-N 2.93Å |
| 2216 | R | 71.9 | Confident | 71.7 | Confident | 54 Ų | 54 | 37.6 Ų | 37.6 | 20% | 0.204 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.4 | -34.5 | -179.3 | -163.7 | 172.9 | 70.3 | -157.1 | 3.7 | 113.4 | I1994 C2212 L2213 V2214 Y2218 E2219 M2220 | I1994-R2216 PolarHBondContact O-NH1 3.06Å; I1994-R2216 PolarHBondContact O-NH2 2.63Å; C2212-R2216 WeakPolarHBondContact O-CB 3.39Å; C2212-R2216 PolarHBondContact O-N 3.2Å; L2213-R2216 PolarHBondContact O-N 3.19Å; V2214-R2216 VanDerWaalsContact C-N 3.32Å; V2214-R2216 PolarHBondContact O-N 2.91Å; R2216-Y2218 VanDerWaalsContact C-N 3.28Å; R2216-Y2218 PolarHBondContact O-N 3.41Å; R2216-E2219 PolarHBondContact O-N 3.44Å; R2216-M2220 HydrophobicContact CG-CG 4.35Å; R2216-M2220 HydrophobicContact CG-SD 4.2Å; R2216-M2220 WeakPolarHBondContact O-CB 3.31Å; R2216-M2220 VanDerWaalsContact O-CG 3.23Å; R2216-M2220 WeakPolarHBondContact O-CG 3.49Å; R2216-M2220 PolarHBondContact O-N 2.77Å |
| 2217 | A | 76.4 | Confident | 72.5 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58 | -45.1 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | L2122 I2123 L2182 L2213 V2214 M2220 V2221 | L2122-A2217 HydrophobicContact CD2-CB 4.48Å; I2123-A2217 HydrophobicContact CD1-CB 4.22Å; I2123-A2217 HydrophobicContact CG1-CB 3.76Å; L2182-A2217 HydrophobicContact CD1-CB 3.74Å; L2182-A2217 HydrophobicContact CD2-CB 4.35Å; L2213-A2217 WeakPolarHBondContact O-CB 3.47Å; L2213-A2217 PolarHBondContact O-N 2.7Å; V2214-A2217 PolarHBondContact O-N 2.93Å; A2217-M2220 PolarHBondContact O-N 2.78Å; A2217-V2221 WeakPolarHBondContact O-CB 3.39Å; A2217-V2221 WeakPolarHBondContact O-CG2 3.31Å; A2217-V2221 PolarHBondContact O-N 2.86Å |
| 2218 | Y | 79.3 | Confident | 73.1 | Confident | 44 Ų | 44 | 29.5 Ų | 29.5 | 17% | 0.173 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 175.6 | -179.7 | -106.8 | 0 | 0 | 0 | 112.2 | A2179 L2182 V2214 Q2215 R2216 M2220 V2221 L2222 | A2179-Y2218 HydrophobicContact CB-CD2 4.28Å; A2179-Y2218 HydrophobicContact CB-CE2 4.1Å; A2179-Y2218 VanDerWaalsContact O-CD2 3.31Å; A2179-Y2218 WeakPolarHBondContact O-CD2 3.31Å; A2179-Y2218 VanDerWaalsContact O-CE2 3.23Å; A2179-Y2218 WeakPolarHBondContact O-CE2 3.41Å; L2182-Y2218 HydrophobicContact CB-CD2 4.21Å; V2214-Y2218 WeakPolarHBondContact O-CB 3.49Å; V2214-Y2218 PolarHBondContact O-N 2.85Å; Q2215-Y2218 WeakPolarHBondContact O-CB 3.46Å; Q2215-Y2218 PolarHBondContact O-N 2.95Å; R2216-Y2218 VanDerWaalsContact C-N 3.28Å; R2216-Y2218 PolarHBondContact O-N 3.41Å; Y2218-M2220 PolarHBondContact O-N 2.7Å; Y2218-V2221 PolarHBondContact O-N 2.99Å; Y2218-L2222 HydrophobicContact CD1-CD1 3.76Å; Y2218-L2222 HydrophobicContact CD2-CD1 4.49Å; Y2218-L2222 HydrophobicContact CE1-CD1 3.38Å; Y2218-L2222 HydrophobicContact CE1-CG 4.45Å; Y2218-L2222 HydrophobicContact CE2-CD1 4.17Å; Y2218-L2222 HydrophobicContact CE2-CG 4.47Å; Y2218-L2222 HydrophobicContact CG-CD1 4.3Å; Y2218-L2222 WeakPolarHBondContact O-CB 3.26Å; Y2218-L2222 VanDerWaalsContact O-CG 3.3Å; Y2218-L2222 WeakPolarHBondContact O-CG 3.38Å; Y2218-L2222 PolarHBondContact O-N 3.14Å |
| 2219 | E | 75 | Confident | 73.3 | Confident | 39 Ų | 39 | 22 Ų | 22 | 18% | 0.182 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.1 | -37.6 | 175.7 | -72.4 | 174.3 | -164.5 | 0 | 0 | 113.1 | Q2215 R2216 S2223 F2328 | Q2215-E2219 WeakPolarHBondContact CG-OE1 3.24Å; Q2215-E2219 PolarHBondContact NE2-OE1 2.93Å; Q2215-E2219 WeakPolarHBondContact O-CG 3.46Å; Q2215-E2219 PolarHBondContact O-N 2.93Å; R2216-E2219 PolarHBondContact O-N 3.44Å; E2219-S2223 VanDerWaalsContact O-CB 3.3Å; E2219-S2223 WeakPolarHBondContact O-CB 3.22Å; E2219-S2223 PolarHBondContact O-N 3.39Å; E2219-S2223 PolarHBondContact O-OG 2.92Å; E2219-F2328 HydrophobicContact CG-CB 4.13Å; E2219-F2328 HydrophobicContact CG-CD2 4.31Å; E2219-F2328 HydrophobicContact CG-CG 4.17Å |
| 2220 | M | 75.6 | Confident | 73.3 | Confident | 10 Ų | 10 | 20.5 Ų | 20.5 | 5% | 0.049 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.2 | -44.1 | 175.6 | -71.3 | 173.2 | 106.9 | 0 | 0 | 111.5 | I1994 I2123 L2126 M2130 R2216 A2217 Y2218 S2223 I2224 | I1994-M2220 HydrophobicContact CD1-CE 4.29Å; I2123-M2220 HydrophobicContact CG2-SD 4.05Å; L2126-M2220 HydrophobicContact CB-CB 4.4Å; L2126-M2220 HydrophobicContact CD1-CB 4.34Å; M2130-M2220 HydrophobicContact SD-CB 3.94Å; M2130-M2220 HydrophobicContact SD-CE 4.01Å; M2130-M2220 HydrophobicContact SD-CG 3.92Å; R2216-M2220 HydrophobicContact CG-CG 4.35Å; R2216-M2220 HydrophobicContact CG-SD 4.2Å; R2216-M2220 WeakPolarHBondContact O-CB 3.31Å; R2216-M2220 VanDerWaalsContact O-CG 3.23Å; R2216-M2220 WeakPolarHBondContact O-CG 3.49Å; R2216-M2220 PolarHBondContact O-N 2.77Å; A2217-M2220 PolarHBondContact O-N 2.78Å; Y2218-M2220 PolarHBondContact O-N 2.7Å; M2220-S2223 WeakPolarHBondContact O-CB 3.35Å; M2220-S2223 PolarHBondContact O-N 2.92Å; M2220-S2223 VanDerWaalsContact O-N 3.15Å; M2220-I2224 WeakPolarHBondContact O-CD1 3.15Å; M2220-I2224 WeakPolarHBondContact O-CG1 3.35Å; M2220-I2224 PolarHBondContact O-N 3.48Å |
| 2221 | V | 77.8 | Confident | 73.2 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62 | -46.2 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | L2126 L2175 L2178 A2179 L2182 A2217 Y2218 S2223 I2224 I2225 | L2126-V2221 HydrophobicContact CD1-CG2 3.59Å; L2126-V2221 HydrophobicContact CD2-CG2 3.76Å; L2126-V2221 HydrophobicContact CG-CG2 4.35Å; L2175-V2221 HydrophobicContact CB-CG1 4.43Å; L2175-V2221 HydrophobicContact CD2-CG1 4.42Å; L2175-V2221 WeakPolarHBondContact O-CG1 3.22Å; L2178-V2221 HydrophobicContact CD2-CB 4.14Å; L2178-V2221 HydrophobicContact CD2-CG1 3.89Å; L2178-V2221 HydrophobicContact CD2-CG2 3.25Å; A2179-V2221 HydrophobicContact CB-CG1 3.91Å; L2182-V2221 HydrophobicContact CD1-CG2 4.28Å; A2217-V2221 WeakPolarHBondContact O-CB 3.39Å; A2217-V2221 WeakPolarHBondContact O-CG2 3.31Å; A2217-V2221 PolarHBondContact O-N 2.86Å; Y2218-V2221 PolarHBondContact O-N 2.99Å; V2221-S2223 VanDerWaalsContact C-N 3.31Å; V2221-S2223 PolarHBondContact O-N 3.5Å; V2221-I2224 PolarHBondContact O-N 3.39Å; V2221-I2225 HydrophobicContact CG1-CD1 3.86Å; V2221-I2225 HydrophobicContact CG1-CG1 4.48Å; V2221-I2225 WeakPolarHBondContact O-CB 3.29Å; V2221-I2225 VanDerWaalsContact O-CG1 3.28Å; V2221-I2225 WeakPolarHBondContact O-CG1 3.18Å; V2221-I2225 PolarHBondContact O-N 3.5Å |
| 2222 | L | 75.3 | Confident | 73.2 | Confident | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.7 | -40.7 | 172.8 | -73.2 | 172.1 | 0 | 0 | 0 | 111.8 | Y2218 I2224 I2225 F2226 L2254 F2330 | Y2218-L2222 HydrophobicContact CD1-CD1 3.76Å; Y2218-L2222 HydrophobicContact CD2-CD1 4.49Å; Y2218-L2222 HydrophobicContact CE1-CD1 3.38Å; Y2218-L2222 HydrophobicContact CE1-CG 4.45Å; Y2218-L2222 HydrophobicContact CE2-CD1 4.17Å; Y2218-L2222 HydrophobicContact CE2-CG 4.47Å; Y2218-L2222 HydrophobicContact CG-CD1 4.3Å; Y2218-L2222 WeakPolarHBondContact O-CB 3.26Å; Y2218-L2222 VanDerWaalsContact O-CG 3.3Å; Y2218-L2222 WeakPolarHBondContact O-CG 3.38Å; Y2218-L2222 PolarHBondContact O-N 3.14Å; L2222-I2224 VanDerWaalsContact C-N 3.33Å; L2222-I2224 PolarHBondContact O-N 3.42Å; L2222-I2225 PolarHBondContact O-N 3Å; L2222-F2226 HydrophobicContact CB-CD2 4.33Å; L2222-F2226 HydrophobicContact CB-CE2 4.26Å; L2222-F2226 WeakPolarHBondContact O-CB 3.46Å; L2222-F2226 WeakPolarHBondContact O-CD2 3.3Å; L2222-F2226 WeakPolarHBondContact O-CG 3.28Å; L2222-F2226 PolarHBondContact O-N 3.05Å; L2222-L2254 HydrophobicContact CD2-CD2 3.79Å; L2222-F2330 HydrophobicContact CD1-CD2 3.81Å; L2222-F2330 HydrophobicContact CD1-CE2 3.53Å; L2222-F2330 HydrophobicContact CD1-CZ 4.44Å; L2222-F2330 HydrophobicContact CD2-CE2 3.97Å; L2222-F2330 HydrophobicContact CG-CE2 4.3Å |
| 2223 | S | 72.1 | Confident | 73 | Confident | 25 Ų | 25 | 18.3 Ų | 18.3 | 18% | 0.175 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.2 | -37.2 | 177 | -62.2 | 0 | 0 | 0 | 0 | 112.6 | E2219 M2220 V2221 S2227 | E2219-S2223 VanDerWaalsContact O-CB 3.3Å; E2219-S2223 WeakPolarHBondContact O-CB 3.22Å; E2219-S2223 PolarHBondContact O-N 3.39Å; E2219-S2223 PolarHBondContact O-OG 2.92Å; M2220-S2223 WeakPolarHBondContact O-CB 3.35Å; M2220-S2223 PolarHBondContact O-N 2.92Å; M2220-S2223 VanDerWaalsContact O-N 3.15Å; V2221-S2223 VanDerWaalsContact C-N 3.31Å; V2221-S2223 PolarHBondContact O-N 3.5Å; S2223-S2227 WeakPolarHBondContact O-CB 3.46Å; S2223-S2227 PolarHBondContact O-N 3.39Å; S2223-S2227 PolarHBondContact O-OG 3.19Å; S2223-S2227 VanDerWaalsContact O-OG 3.07Å |
| 2224 | I | 74.7 | Confident | 72.4 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.2 | -46.6 | 173.9 | -66.5 | 156.1 | 0 | 0 | 0 | 110.9 | L2126 L2129 M2130 L2133 L2175 M2220 V2221 L2222 F2226 S2227 Q2228 | L2126-I2224 HydrophobicContact CB-CD1 4.18Å; L2126-I2224 HydrophobicContact CD2-CD1 3.49Å; L2126-I2224 VanDerWaalsContact CD2-CD1 3.49Å; L2126-I2224 HydrophobicContact CG-CD1 4.42Å; L2129-I2224 HydrophobicContact CD2-CD1 3.96Å; L2129-I2224 HydrophobicContact CD2-CG1 4.35Å; L2129-I2224 HydrophobicContact CD2-CG2 3.89Å; M2130-I2224 HydrophobicContact CG-CD1 3.88Å; M2130-I2224 HydrophobicContact CG-CG1 3.69Å; M2130-I2224 HydrophobicContact SD-CG1 4.37Å; L2133-I2224 HydrophobicContact CD1-CB 4.33Å; L2133-I2224 HydrophobicContact CD1-CG1 3.88Å; L2133-I2224 HydrophobicContact CD1-CG2 4Å; L2175-I2224 HydrophobicContact CD1-CG2 3.79Å; M2220-I2224 WeakPolarHBondContact O-CD1 3.15Å; M2220-I2224 WeakPolarHBondContact O-CG1 3.35Å; M2220-I2224 PolarHBondContact O-N 3.48Å; V2221-I2224 PolarHBondContact O-N 3.39Å; L2222-I2224 VanDerWaalsContact C-N 3.33Å; L2222-I2224 PolarHBondContact O-N 3.42Å; I2224-F2226 VanDerWaalsContact C-N 3.32Å; I2224-F2226 PolarHBondContact O-N 2.86Å; I2224-S2227 PolarHBondContact O-N 3.05Å; I2224-S2227 PolarHBondContact O-OG 3.43Å; I2224-Q2228 HydrophobicContact CG2-CG 4.31Å; I2224-Q2228 VanDerWaalsContact O-CB 3.28Å; I2224-Q2228 WeakPolarHBondContact O-CB 3.44Å; I2224-Q2228 WeakPolarHBondContact O-CG 3.26Å; I2224-Q2228 PolarHBondContact O-N 3.43Å |
| 2225 | I | 74.5 | Confident | 71.9 | Confident | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.015 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -55.6 | -48.9 | 175.3 | -71.7 | 167.4 | 0 | 0 | 0 | 109.8 | F2172 L2175 I2176 A2179 V2221 L2222 S2229 L2250 | F2172-I2225 HydrophobicContact CD1-CG2 4.36Å; F2172-I2225 HydrophobicContact CE1-CG2 4.28Å; L2175-I2225 HydrophobicContact CB-CD1 3.9Å; L2175-I2225 HydrophobicContact CB-CG1 3.69Å; L2175-I2225 HydrophobicContact CD1-CG1 4.09Å; I2176-I2225 HydrophobicContact CG1-CD1 4.26Å; A2179-I2225 HydrophobicContact CB-CD1 4.31Å; V2221-I2225 HydrophobicContact CG1-CD1 3.86Å; V2221-I2225 HydrophobicContact CG1-CG1 4.48Å; V2221-I2225 WeakPolarHBondContact O-CB 3.29Å; V2221-I2225 VanDerWaalsContact O-CG1 3.28Å; V2221-I2225 WeakPolarHBondContact O-CG1 3.18Å; V2221-I2225 PolarHBondContact O-N 3.5Å; L2222-I2225 PolarHBondContact O-N 3Å; I2225-S2229 WeakPolarHBondContact O-CB 3.5Å; I2225-S2229 PolarHBondContact O-N 3.43Å; I2225-S2229 PolarHBondContact O-OG 2.87Å; I2225-L2250 HydrophobicContact CG2-CD1 3.64Å; I2225-L2250 HydrophobicContact CG2-CG 4.49Å |
| 2226 | F | 70.8 | Confident | 71.2 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.9 | -40.9 | -180 | -73 | -55.1 | 0 | 0 | 0 | 112.9 | L2136 L2222 I2224 S2229 T2230 L2254 F2330 A2334 F2337 | L2136-F2226 HydrophobicContact CD1-CB 3.56Å; L2136-F2226 HydrophobicContact CD2-CB 3.74Å; L2136-F2226 HydrophobicContact CD2-CD2 4.5Å; L2136-F2226 HydrophobicContact CD2-CG 4.24Å; L2136-F2226 HydrophobicContact CG-CB 4.26Å; L2222-F2226 HydrophobicContact CB-CD2 4.33Å; L2222-F2226 HydrophobicContact CB-CE2 4.26Å; L2222-F2226 WeakPolarHBondContact O-CB 3.46Å; L2222-F2226 WeakPolarHBondContact O-CD2 3.3Å; L2222-F2226 WeakPolarHBondContact O-CG 3.28Å; L2222-F2226 PolarHBondContact O-N 3.05Å; I2224-F2226 VanDerWaalsContact C-N 3.32Å; I2224-F2226 PolarHBondContact O-N 2.86Å; F2226-S2229 WeakPolarHBondContact CA-OG 3.49Å; F2226-S2229 PolarHBondContact O-OG 2.94Å; F2226-T2230 VanDerWaalsContact O-CB 3.31Å; F2226-T2230 WeakPolarHBondContact O-CB 3.35Å; F2226-T2230 PolarHBondContact O-N 3.1Å; F2226-T2230 PolarHBondContact O-OG1 3Å; F2226-L2254 HydrophobicContact CE1-CD1 3.52Å; F2226-L2254 HydrophobicContact CZ-CD1 3.8Å; F2226-L2254 HydrophobicContact CZ-CD2 4.13Å; F2226-F2330 HydrophobicContact CE2-CD2 4.27Å; F2226-F2330 AromaticContact CE2-CE2 3.84Å; F2226-F2330 HydrophobicContact CE2-CE2 3.84Å; F2226-F2330 AromaticContact CZ-CE2 3.92Å; F2226-F2330 HydrophobicContact CZ-CE2 3.92Å; F2226-A2334 HydrophobicContact CZ-CB 4.29Å; F2226-F2337 HydrophobicContact CD1-CB 4.31Å; F2226-F2337 HydrophobicContact CD1-CD1 4.26Å; F2226-F2337 AromaticContact CD1-CD2 3.75Å; F2226-F2337 HydrophobicContact CD1-CD2 3.75Å; F2226-F2337 HydrophobicContact CD1-CE2 4.09Å; F2226-F2337 AromaticContact CD1-CG 3.84Å; F2226-F2337 HydrophobicContact CD1-CG 3.84Å; F2226-F2337 HydrophobicContact CD1-CZ 4.49Å; F2226-F2337 HydrophobicContact CE1-CB 4.2Å; F2226-F2337 HydrophobicContact CE1-CD1 4.18Å; F2226-F2337 HydrophobicContact CE1-CD2 4.38Å; F2226-F2337 AromaticContact CE1-CG 3.99Å; F2226-F2337 HydrophobicContact CE1-CG 3.99Å |
| 2227 | S | 70.3 | Confident | 70.6 | Confident | 7 Ų | 7 | 24.3 Ų | 24.3 | 5% | 0.049 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.6 | -47.4 | -179.1 | 63.1 | 0 | 0 | 0 | 0 | 111.1 | S2223 I2224 T2230 I2231 | S2223-S2227 WeakPolarHBondContact O-CB 3.46Å; S2223-S2227 PolarHBondContact O-N 3.39Å; S2223-S2227 PolarHBondContact O-OG 3.19Å; S2223-S2227 VanDerWaalsContact O-OG 3.07Å; I2224-S2227 PolarHBondContact O-N 3.05Å; I2224-S2227 PolarHBondContact O-OG 3.43Å; S2227-T2230 PolarHBondContact O-N 3.25Å; S2227-I2231 WeakPolarHBondContact O-CD1 2.96Å; S2227-I2231 VanDerWaalsContact O-CG1 3.25Å; S2227-I2231 WeakPolarHBondContact O-CG1 3.32Å; S2227-I2231 PolarHBondContact O-N 3.39Å |
| 2228 | Q | 73.8 | Confident | 70 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.1 | -73 | -79.7 | 15.9 | 0 | 0 | 112.3 | L2133 V2154 L2156 F2172 I2224 T2230 I2231 L2232 | L2133-Q2228 HydrophobicContact CD2-CG 4.07Å; V2154-Q2228 PolarHBondContact O-NE2 3.44Å; L2156-Q2228 HydrophobicContact CD1-CB 3.66Å; L2156-Q2228 HydrophobicContact CD1-CG 3.7Å; L2156-Q2228 HydrophobicContact CG-CB 4.26Å; L2156-Q2228 HydrophobicContact CG-CG 4.08Å; F2172-Q2228 HydrophobicContact CZ-CB 4.04Å; I2224-Q2228 HydrophobicContact CG2-CG 4.31Å; I2224-Q2228 VanDerWaalsContact O-CB 3.28Å; I2224-Q2228 WeakPolarHBondContact O-CB 3.44Å; I2224-Q2228 WeakPolarHBondContact O-CG 3.26Å; I2224-Q2228 PolarHBondContact O-N 3.43Å; Q2228-T2230 PolarHBondContact O-N 3.39Å; Q2228-I2231 PolarHBondContact O-N 2.96Å; Q2228-L2232 WeakPolarHBondContact O-CB 3.48Å; Q2228-L2232 VanDerWaalsContact O-CG 3.26Å; Q2228-L2232 WeakPolarHBondContact O-CG 3.42Å; Q2228-L2232 PolarHBondContact O-N 3.07Å |
| 2229 | S | 71.7 | Confident | 69.6 | Low | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.7 | -34.9 | 175.9 | 56.5 | 0 | 0 | 0 | 0 | 112.5 | I2225 F2226 L2233 F2337 | I2225-S2229 WeakPolarHBondContact O-CB 3.5Å; I2225-S2229 PolarHBondContact O-N 3.43Å; I2225-S2229 PolarHBondContact O-OG 2.87Å; F2226-S2229 WeakPolarHBondContact CA-OG 3.49Å; F2226-S2229 PolarHBondContact O-OG 2.94Å; S2229-L2233 VanDerWaalsContact O-CB 3.27Å; S2229-L2233 WeakPolarHBondContact O-CB 3.25Å; S2229-L2233 WeakPolarHBondContact O-CD1 3.45Å; S2229-L2233 WeakPolarHBondContact O-CG 3.47Å; S2229-L2233 PolarHBondContact O-N 3.44Å; S2229-F2337 WeakPolarHBondContact OG-CE2 3.49Å; S2229-F2337 VanDerWaalsContact OG-CZ 3.29Å; S2229-F2337 WeakPolarHBondContact OG-CZ 3.46Å |
| 2230 | T | 68 | Low | 69.3 | Low | 32 Ų | 32 | 36.7 Ų | 36.7 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -49.6 | 172.2 | -55.3 | 0 | 0 | 0 | 0 | 110.5 | F2226 S2227 Q2228 L2232 L2233 T2234 | F2226-T2230 VanDerWaalsContact O-CB 3.31Å; F2226-T2230 WeakPolarHBondContact O-CB 3.35Å; F2226-T2230 PolarHBondContact O-N 3.1Å; F2226-T2230 PolarHBondContact O-OG1 3Å; S2227-T2230 PolarHBondContact O-N 3.25Å; Q2228-T2230 PolarHBondContact O-N 3.39Å; T2230-L2232 PolarHBondContact O-N 2.92Å; T2230-L2233 PolarHBondContact O-N 3.18Å; T2230-T2234 WeakPolarHBondContact O-CG2 3.32Å; T2230-T2234 PolarHBondContact O-N 2.83Å; T2230-T2234 PolarHBondContact O-OG1 3.39Å; T2230-T2234 VanDerWaalsContact O-OG1 3.09Å |
| 2231 | I | 67.6 | Low | 69 | Low | 21 Ų | 21 | 42.5 Ų | 42.5 | 11% | 0.108 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.3 | -46.9 | 179.7 | -67.1 | 162.1 | 0 | 0 | 0 | 110.9 | L2133 P2134 V2152 S2227 Q2228 T2234 S2235 | L2133-I2231 HydrophobicContact CD2-CD1 4.46Å; P2134-I2231 HydrophobicContact CG-CD1 3.84Å; P2134-I2231 HydrophobicContact CG-CG1 4.48Å; V2152-I2231 HydrophobicContact CG2-CD1 4.05Å; V2152-I2231 HydrophobicContact CG2-CG2 4.22Å; S2227-I2231 WeakPolarHBondContact O-CD1 2.96Å; S2227-I2231 VanDerWaalsContact O-CG1 3.25Å; S2227-I2231 WeakPolarHBondContact O-CG1 3.32Å; S2227-I2231 PolarHBondContact O-N 3.39Å; Q2228-I2231 PolarHBondContact O-N 2.96Å; I2231-T2234 WeakPolarHBondContact CA-OG1 3.33Å; I2231-T2234 PolarHBondContact O-N 3.19Å; I2231-T2234 PolarHBondContact O-OG1 3.04Å; I2231-S2235 WeakPolarHBondContact O-CB 3.47Å; I2231-S2235 PolarHBondContact O-N 3.01Å |
| 2232 | L | 69.2 | Low | 68.4 | Low | 16 Ų | 16 | 45.9 Ų | 45.9 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.1 | -35.5 | 178.6 | -68.4 | 166.9 | 0 | 0 | 0 | 113 | F2172 Q2228 T2230 I2238 K2243 L2246 | F2172-L2232 HydrophobicContact CE2-CD1 3.42Å; F2172-L2232 VanDerWaalsContact CE2-CD1 3.42Å; F2172-L2232 HydrophobicContact CZ-CD1 3.75Å; Q2228-L2232 WeakPolarHBondContact O-CB 3.48Å; Q2228-L2232 VanDerWaalsContact O-CG 3.26Å; Q2228-L2232 WeakPolarHBondContact O-CG 3.42Å; Q2228-L2232 PolarHBondContact O-N 3.07Å; T2230-L2232 PolarHBondContact O-N 2.92Å; L2232-I2238 HydrophobicContact CB-CD1 4.23Å; L2232-I2238 HydrophobicContact CD2-CD1 3.54Å; L2232-I2238 HydrophobicContact CD2-CG1 4.26Å; L2232-I2238 HydrophobicContact CG-CD1 4.5Å; L2232-K2243 WeakPolarHBondContact O-CE 3.25Å; L2232-L2246 HydrophobicContact CB-CD1 4.41Å; L2232-L2246 HydrophobicContact CD1-CD1 4.28Å |
| 2233 | L | 66.8 | Low | 68.1 | Low | 27 Ų | 27 | 47.7 Ų | 47.7 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.8 | -36.7 | 172.7 | -73.7 | 170 | 0 | 0 | 0 | 111.6 | S2229 T2230 K2243 L2246 L2247 F2337 | S2229-L2233 VanDerWaalsContact O-CB 3.27Å; S2229-L2233 WeakPolarHBondContact O-CB 3.25Å; S2229-L2233 WeakPolarHBondContact O-CD1 3.45Å; S2229-L2233 WeakPolarHBondContact O-CG 3.47Å; S2229-L2233 PolarHBondContact O-N 3.44Å; T2230-L2233 PolarHBondContact O-N 3.18Å; L2233-K2243 HydrophobicContact CD2-CB 3.98Å; L2233-K2243 HydrophobicContact CD2-CG 4.31Å; L2233-K2243 WeakPolarHBondContact O-CE 3.5Å; L2233-K2243 PolarHBondContact O-NZ 3.36Å; L2233-L2246 HydrophobicContact CD1-CD2 4.22Å; L2233-L2246 HydrophobicContact CD2-CD2 4.09Å; L2233-L2246 HydrophobicContact CG-CD2 4.03Å; L2233-L2247 HydrophobicContact CD1-CD1 4.4Å; L2233-F2337 HydrophobicContact CD1-CE1 4.4Å; L2233-F2337 HydrophobicContact CD1-CE2 4.36Å; L2233-F2337 HydrophobicContact CD1-CZ 3.72Å |
| 2234 | T | 61.5 | Low | 68.1 | Low | 48 Ų | 48 | 51.1 Ų | 51.1 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -77.5 | -28.7 | 175.8 | 53.7 | 0 | 0 | 0 | 0 | 114.1 | L2147 T2230 I2231 | L2147-T2234 HydrophobicContact CD1-CG2 4.2Å; T2230-T2234 WeakPolarHBondContact O-CG2 3.32Å; T2230-T2234 PolarHBondContact O-N 2.83Å; T2230-T2234 PolarHBondContact O-OG1 3.39Å; T2230-T2234 VanDerWaalsContact O-OG1 3.09Å; I2231-T2234 WeakPolarHBondContact CA-OG1 3.33Å; I2231-T2234 PolarHBondContact O-N 3.19Å; I2231-T2234 PolarHBondContact O-OG1 3.04Å |
| 2235 | S | 63.4 | Low | 67.9 | Low | 30 Ų | 30 | 54.3 Ų | 54.3 | 21% | 0.21 | 29% | 0.286 | C | S | . | . | trans | -65.9 | 132.5 | -175.9 | 172.3 | 0 | 0 | 0 | 0 | 112.1 | I2231 S2237 K2243 | I2231-S2235 WeakPolarHBondContact O-CB 3.47Å; I2231-S2235 PolarHBondContact O-N 3.01Å; S2235-S2237 VanDerWaalsContact C-N 3.26Å; S2235-S2237 PolarHBondContact O-N 2.79Å; S2235-S2237 PolarHBondContact OG-N 2.67Å; S2235-S2237 PolarHBondContact OG-OG 2.73Å; S2235-K2243 WeakPolarHBondContact O-CE 3.45Å; S2235-K2243 PolarHBondContact O-NZ 3.04Å | ||
| 2236 | P | 60 | Low | 67.7 | Low | 106 Ų | 106 | 54.6 Ų | 54.6 | 69% | 0.688 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -7 | 178.6 | 31.5 | -35.8 | 0 | 0 | 0 | 114.2 | ||
| 2237 | S | 59.7 | Low | 67.7 | Low | 96 Ų | 96 | 55.7 Ų | 55.7 | 67% | 0.671 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -16.8 | -174.3 | 62.3 | 0 | 0 | 0 | 0 | 115.3 | S2235 | S2235-S2237 VanDerWaalsContact C-N 3.26Å; S2235-S2237 PolarHBondContact O-N 2.79Å; S2235-S2237 PolarHBondContact OG-N 2.67Å; S2235-S2237 PolarHBondContact OG-OG 2.73Å |
| 2238 | I | 63.9 | Low | 67.9 | Low | 46 Ų | 46 | 63.2 Ų | 63.2 | 24% | 0.236 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -94.1 | 137.5 | -177.8 | -61.7 | 109.1 | 0 | 0 | 0 | 110.6 | L2232 D2242 K2243 | L2232-I2238 HydrophobicContact CB-CD1 4.23Å; L2232-I2238 HydrophobicContact CD2-CD1 3.54Å; L2232-I2238 HydrophobicContact CD2-CG1 4.26Å; L2232-I2238 HydrophobicContact CG-CD1 4.5Å; I2238-D2242 HydrophobicContact CG2-CB 3.73Å; I2238-K2243 HydrophobicContact CB-CG 4.4Å; I2238-K2243 HydrophobicContact CG2-CG 3.99Å; I2238-K2243 WeakPolarHBondContact O-CE 3.35Å |
| 2239 | R | 69.8 | Low | 67.7 | Low | 189 Ų | 189 | 66 Ų | 66 | 71% | 0.713 | 33% | 0.334 | S | S | * | . | trans | -65.1 | 146.5 | -176.3 | -53.6 | 171.2 | 170.5 | 164.4 | -2.5 | 110.5 | M2241 D2242 K2243 | R2239-M2241 PolarHBondContact O-N 3.22Å; R2239-M2241 VanDerWaalsContact O-N 3.17Å; R2239-D2242 VanDerWaalsContact CB-OD2 3.28Å; R2239-D2242 WeakPolarHBondContact CB-OD2 3.44Å; R2239-D2242 WeakPolarHBondContact CD-OD2 3.28Å; R2239-D2242 WeakPolarHBondContact CG-OD2 3.47Å; R2239-D2242 PolarHBondContact O-N 3.15Å; R2239-K2243 PolarHBondContact O-N 2.86Å | ||
| 2240 | L | 68.7 | Low | 67.6 | Low | 109 Ų | 109 | 66.1 Ų | 66.1 | 57% | 0.571 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -55.8 | -35.9 | 178.5 | -160.4 | 87.9 | 0 | 0 | 0 | 112.4 | K2243 Q2244 | L2240-K2243 PolarHBondContact O-N 2.64Å; L2240-Q2244 WeakPolarHBondContact O-CB 3.37Å; L2240-Q2244 VanDerWaalsContact O-CG 3.32Å; L2240-Q2244 WeakPolarHBondContact O-CG 3.44Å; L2240-Q2244 PolarHBondContact O-N 2.97Å |
| 2241 | M | 69.5 | Low | 67.6 | Low | 132 Ų | 132 | 66 Ų | 66 | 65% | 0.65 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.1 | -46.5 | 176.7 | -142 | -68.4 | -172.9 | 0 | 0 | 111.3 | R2239 K2243 Q2244 L2245 | R2239-M2241 PolarHBondContact O-N 3.22Å; R2239-M2241 VanDerWaalsContact O-N 3.17Å; M2241-K2243 PolarHBondContact O-N 2.81Å; M2241-Q2244 PolarHBondContact O-N 3.4Å; M2241-L2245 WeakPolarHBondContact O-CB 3.37Å; M2241-L2245 PolarHBondContact O-N 2.91Å |
| 2242 | D | 65.7 | Low | 67.7 | Low | 71 Ų | 71 | 67.5 Ų | 67.5 | 38% | 0.38 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 179.5 | -47.6 | -28.1 | 0 | 0 | 0 | 110.7 | I2238 R2239 L2245 L2246 | I2238-D2242 HydrophobicContact CG2-CB 3.73Å; R2239-D2242 VanDerWaalsContact CB-OD2 3.28Å; R2239-D2242 WeakPolarHBondContact CB-OD2 3.44Å; R2239-D2242 WeakPolarHBondContact CD-OD2 3.28Å; R2239-D2242 WeakPolarHBondContact CG-OD2 3.47Å; R2239-D2242 PolarHBondContact O-N 3.15Å; D2242-L2245 PolarHBondContact O-N 3.31Å; D2242-L2246 WeakPolarHBondContact O-CB 3.21Å; D2242-L2246 PolarHBondContact O-N 2.9Å |
| 2243 | K | 68.8 | Low | 67.6 | Low | 40 Ų | 40 | 69.3 Ų | 69.3 | 17% | 0.174 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 172 | -68.5 | -171.1 | -178.1 | -170.6 | 0 | 112.6 | L2232 L2233 S2235 I2238 R2239 L2240 M2241 L2247 | L2232-K2243 WeakPolarHBondContact O-CE 3.25Å; L2233-K2243 HydrophobicContact CD2-CB 3.98Å; L2233-K2243 HydrophobicContact CD2-CG 4.31Å; L2233-K2243 WeakPolarHBondContact O-CE 3.5Å; L2233-K2243 PolarHBondContact O-NZ 3.36Å; S2235-K2243 WeakPolarHBondContact O-CE 3.45Å; S2235-K2243 PolarHBondContact O-NZ 3.04Å; I2238-K2243 HydrophobicContact CB-CG 4.4Å; I2238-K2243 HydrophobicContact CG2-CG 3.99Å; I2238-K2243 WeakPolarHBondContact O-CE 3.35Å; R2239-K2243 PolarHBondContact O-N 2.86Å; L2240-K2243 PolarHBondContact O-N 2.64Å; M2241-K2243 PolarHBondContact O-N 2.81Å; K2243-L2247 VanDerWaalsContact O-CB 3.31Å; K2243-L2247 WeakPolarHBondContact O-CB 3.41Å; K2243-L2247 PolarHBondContact O-N 3.26Å |
| 2244 | Q | 71.9 | Confident | 67.6 | Low | 97 Ų | 97 | 69.1 Ų | 69.1 | 45% | 0.453 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 177.5 | -75.7 | 177.5 | -4.5 | 0 | 0 | 111.9 | L2240 M2241 L2247 R2248 L2345 | L2240-Q2244 WeakPolarHBondContact O-CB 3.37Å; L2240-Q2244 VanDerWaalsContact O-CG 3.32Å; L2240-Q2244 WeakPolarHBondContact O-CG 3.44Å; L2240-Q2244 PolarHBondContact O-N 2.97Å; M2241-Q2244 PolarHBondContact O-N 3.4Å; Q2244-L2247 PolarHBondContact O-N 3.08Å; Q2244-R2248 VanDerWaalsContact O-CB 3.29Å; Q2244-R2248 WeakPolarHBondContact O-CB 3.34Å; Q2244-R2248 PolarHBondContact O-N 2.94Å; Q2244-L2345 HydrophobicContact CG-CD2 4.36Å |
| 2245 | L | 71.3 | Confident | 67.5 | Low | 67 Ų | 67 | 73.5 Ų | 73.5 | 35% | 0.351 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.9 | -50.8 | 174.9 | -172.5 | 148 | 0 | 0 | 0 | 110.8 | F2158 M2241 D2242 L2247 R2248 E2249 | F2158-L2245 HydrophobicContact CD1-CD2 3.87Å; F2158-L2245 HydrophobicContact CE1-CD2 4.39Å; M2241-L2245 WeakPolarHBondContact O-CB 3.37Å; M2241-L2245 PolarHBondContact O-N 2.91Å; D2242-L2245 PolarHBondContact O-N 3.31Å; L2245-L2247 VanDerWaalsContact C-N 3.28Å; L2245-L2247 PolarHBondContact O-N 3.47Å; L2245-R2248 PolarHBondContact O-N 3.36Å; L2245-R2248 VanDerWaalsContact O-N 3.13Å; L2245-E2249 HydrophobicContact CD2-CG 4.02Å; L2245-E2249 HydrophobicContact CG-CG 4.32Å; L2245-E2249 WeakPolarHBondContact O-CG 3.15Å; L2245-E2249 PolarHBondContact O-N 3.33Å |
| 2246 | L | 70 | Confident | 67.4 | Low | 10 Ų | 10 | 74 Ų | 74 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -51.1 | -48.7 | 172.7 | 177.1 | 154.6 | 0 | 0 | 0 | 110.6 | F2158 F2172 L2232 L2233 D2242 L2250 | F2158-L2246 HydrophobicContact CD2-CB 3.85Å; F2158-L2246 HydrophobicContact CD2-CD1 3.75Å; F2158-L2246 HydrophobicContact CD2-CG 3.57Å; F2158-L2246 HydrophobicContact CE2-CB 4.11Å; F2158-L2246 HydrophobicContact CE2-CD1 4.27Å; F2158-L2246 HydrophobicContact CE2-CG 3.68Å; F2158-L2246 HydrophobicContact CG-CB 4.3Å; F2158-L2246 HydrophobicContact CG-CG 4.48Å; F2172-L2246 HydrophobicContact CE2-CD1 4.12Å; F2172-L2246 HydrophobicContact CZ-CD1 4.35Å; L2232-L2246 HydrophobicContact CB-CD1 4.41Å; L2232-L2246 HydrophobicContact CD1-CD1 4.28Å; L2233-L2246 HydrophobicContact CD1-CD2 4.22Å; L2233-L2246 HydrophobicContact CD2-CD2 4.09Å; L2233-L2246 HydrophobicContact CG-CD2 4.03Å; D2242-L2246 WeakPolarHBondContact O-CB 3.21Å; D2242-L2246 PolarHBondContact O-N 2.9Å; L2246-L2250 WeakPolarHBondContact O-CB 3.34Å; L2246-L2250 PolarHBondContact O-N 3.28Å |
| 2247 | L | 71 | Confident | 67.2 | Low | 24 Ų | 24 | 70 Ų | 70 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 179.8 | -172.1 | 64.4 | 0 | 0 | 0 | 112.8 | L2233 K2243 Q2244 L2245 T2251 F2337 S2341 L2345 | L2233-L2247 HydrophobicContact CD1-CD1 4.4Å; K2243-L2247 VanDerWaalsContact O-CB 3.31Å; K2243-L2247 WeakPolarHBondContact O-CB 3.41Å; K2243-L2247 PolarHBondContact O-N 3.26Å; Q2244-L2247 PolarHBondContact O-N 3.08Å; L2245-L2247 VanDerWaalsContact C-N 3.28Å; L2245-L2247 PolarHBondContact O-N 3.47Å; L2247-T2251 HydrophobicContact CD1-CG2 4.13Å; L2247-T2251 WeakPolarHBondContact O-CB 3.48Å; L2247-T2251 VanDerWaalsContact O-CG2 3.32Å; L2247-T2251 WeakPolarHBondContact O-CG2 3.48Å; L2247-T2251 PolarHBondContact O-N 2.9Å; L2247-T2251 PolarHBondContact O-OG1 2.93Å; L2247-F2337 HydrophobicContact CD1-CE1 4.16Å; L2247-S2341 VanDerWaalsContact CD1-CB 3.48Å; L2247-S2341 WeakPolarHBondContact CD1-OG 3.39Å; L2247-L2345 HydrophobicContact CD2-CD1 3.81Å |
| 2248 | R | 73.8 | Confident | 66.8 | Low | 164 Ų | 164 | 71 Ų | 71 | 62% | 0.619 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.4 | -52.1 | -180 | -170.8 | -173.9 | 77.9 | 176.6 | 4.9 | 111.7 | Q2244 L2245 T2251 A2252 | Q2244-R2248 VanDerWaalsContact O-CB 3.29Å; Q2244-R2248 WeakPolarHBondContact O-CB 3.34Å; Q2244-R2248 PolarHBondContact O-N 2.94Å; L2245-R2248 PolarHBondContact O-N 3.36Å; L2245-R2248 VanDerWaalsContact O-N 3.13Å; R2248-T2251 PolarHBondContact O-OG1 3.43Å; R2248-A2252 WeakPolarHBondContact O-CB 3.35Å; R2248-A2252 PolarHBondContact O-N 3.13Å |
| 2249 | E | 69.3 | Low | 66.1 | Low | 62 Ų | 62 | 72.6 Ų | 72.6 | 29% | 0.29 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.6 | -43.9 | -178.7 | -58.8 | -44.4 | 124.7 | 0 | 0 | 110.9 | F2158 L2245 T2251 A2252 E2253 | F2158-E2249 HydrophobicContact CE1-CB 3.55Å; F2158-E2249 HydrophobicContact CE1-CG 4.02Å; F2158-E2249 HydrophobicContact CZ-CB 3.85Å; L2245-E2249 HydrophobicContact CD2-CG 4.02Å; L2245-E2249 HydrophobicContact CG-CG 4.32Å; L2245-E2249 WeakPolarHBondContact O-CG 3.15Å; L2245-E2249 PolarHBondContact O-N 3.33Å; E2249-T2251 PolarHBondContact O-N 3.47Å; E2249-A2252 WeakPolarHBondContact O-CB 3.4Å; E2249-A2252 PolarHBondContact O-N 3.07Å; E2249-A2252 VanDerWaalsContact O-N 3.08Å; E2249-E2253 PolarHBondContact O-N 2.67Å |
| 2250 | L | 69.6 | Low | 64.8 | Low | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.7 | -36.2 | 179.3 | -170.8 | 133.9 | 0 | 0 | 0 | 112 | F2158 F2172 I2225 L2246 L2254 F2337 | F2158-L2250 HydrophobicContact CE2-CB 4.47Å; F2158-L2250 HydrophobicContact CE2-CD1 4.36Å; F2158-L2250 HydrophobicContact CZ-CB 4.35Å; F2172-L2250 HydrophobicContact CD1-CD1 4.09Å; F2172-L2250 HydrophobicContact CE1-CD1 4.13Å; I2225-L2250 HydrophobicContact CG2-CD1 3.64Å; I2225-L2250 HydrophobicContact CG2-CG 4.49Å; L2246-L2250 WeakPolarHBondContact O-CB 3.34Å; L2246-L2250 PolarHBondContact O-N 3.28Å; L2250-L2254 HydrophobicContact CD2-CD1 3.53Å; L2250-L2254 HydrophobicContact CG-CD1 4.04Å; L2250-L2254 VanDerWaalsContact O-CB 3.27Å; L2250-L2254 WeakPolarHBondContact O-CB 3.47Å; L2250-L2254 WeakPolarHBondContact O-CD1 3.46Å; L2250-L2254 WeakPolarHBondContact O-CG 3.22Å; L2250-L2254 PolarHBondContact O-N 3.12Å; L2250-F2337 HydrophobicContact CD2-CD1 4.32Å; L2250-F2337 HydrophobicContact CD2-CE1 3.51Å; L2250-F2337 HydrophobicContact CD2-CZ 3.97Å |
| 2251 | T | 69.4 | Low | 63.6 | Low | 30 Ų | 30 | 68.4 Ų | 68.4 | 18% | 0.184 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -78.3 | -15.1 | 172.2 | 59 | 0 | 0 | 0 | 0 | 114.3 | L2247 R2248 E2249 K2255 I2338 | L2247-T2251 HydrophobicContact CD1-CG2 4.13Å; L2247-T2251 WeakPolarHBondContact O-CB 3.48Å; L2247-T2251 VanDerWaalsContact O-CG2 3.32Å; L2247-T2251 WeakPolarHBondContact O-CG2 3.48Å; L2247-T2251 PolarHBondContact O-N 2.9Å; L2247-T2251 PolarHBondContact O-OG1 2.93Å; R2248-T2251 PolarHBondContact O-OG1 3.43Å; E2249-T2251 PolarHBondContact O-N 3.47Å; T2251-K2255 VanDerWaalsContact O-CD 3.28Å; T2251-K2255 WeakPolarHBondContact O-CD 3.46Å; T2251-K2255 VanDerWaalsContact O-CG 3.24Å; T2251-K2255 WeakPolarHBondContact O-CG 3.46Å; T2251-I2338 HydrophobicContact CG2-CD1 4.32Å; T2251-I2338 HydrophobicContact CG2-CG1 3.91Å |
| 2252 | A | 68.5 | Low | 61.8 | Low | 52 Ų | 52 | 69 Ų | 69 | 43% | 0.43 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -78.4 | -51 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | R2248 E2249 K2255 A2256 | R2248-A2252 WeakPolarHBondContact O-CB 3.35Å; R2248-A2252 PolarHBondContact O-N 3.13Å; E2249-A2252 WeakPolarHBondContact O-CB 3.4Å; E2249-A2252 PolarHBondContact O-N 3.07Å; E2249-A2252 VanDerWaalsContact O-N 3.08Å; A2252-K2255 WeakPolarHBondContact O-CB 3.41Å; A2252-K2255 PolarHBondContact O-N 3.34Å; A2252-K2255 VanDerWaalsContact O-N 3.15Å; A2252-A2256 PolarHBondContact O-N 2.92Å |
| 2253 | E | 68.2 | Low | 60 | Low | 54 Ų | 54 | 71 Ų | 71 | 25% | 0.252 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 178.2 | -75.6 | -71.2 | 158.3 | 0 | 0 | 112.2 | I2176 N2180 E2249 K2255 A2256 C2257 | I2176-E2253 HydrophobicContact CD1-CB 4.49Å; I2176-E2253 HydrophobicContact CG2-CB 3.93Å; I2176-E2253 HydrophobicContact CG2-CG 3.82Å; I2176-E2253 WeakPolarHBondContact CG2-OE2 3.18Å; N2180-E2253 PolarHBondContact ND2-OE2 2.96Å; E2249-E2253 PolarHBondContact O-N 2.67Å; E2253-K2255 PolarHBondContact O-N 3.46Å; E2253-A2256 WeakPolarHBondContact O-CA 3.25Å; E2253-A2256 WeakPolarHBondContact O-CB 3.25Å; E2253-A2256 PolarHBondContact O-N 3.01Å; E2253-C2257 PolarHBondContact O-N 3.5Å; E2253-C2257 PolarHBondContact O-SG 3.21Å; E2253-C2257 VanDerWaalsContact O-SG 3.37Å |
| 2254 | L | 64.9 | Low | 58 | Low | 23 Ų | 23 | 77.4 Ų | 77.4 | 12% | 0.12 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63 | -25.4 | 175.6 | -69 | 170.6 | 0 | 0 | 0 | 113.1 | L2222 F2226 L2250 F2330 | L2222-L2254 HydrophobicContact CD2-CD2 3.79Å; F2226-L2254 HydrophobicContact CE1-CD1 3.52Å; F2226-L2254 HydrophobicContact CZ-CD1 3.8Å; F2226-L2254 HydrophobicContact CZ-CD2 4.13Å; L2250-L2254 HydrophobicContact CD2-CD1 3.53Å; L2250-L2254 HydrophobicContact CG-CD1 4.04Å; L2250-L2254 VanDerWaalsContact O-CB 3.27Å; L2250-L2254 WeakPolarHBondContact O-CB 3.47Å; L2250-L2254 WeakPolarHBondContact O-CD1 3.46Å; L2250-L2254 WeakPolarHBondContact O-CG 3.22Å; L2250-L2254 PolarHBondContact O-N 3.12Å; L2254-F2330 HydrophobicContact CD2-CE2 4.32Å; L2254-F2330 HydrophobicContact CD2-CZ 3.97Å |
| 2255 | K | 61.2 | Low | 56 | Low | 141 Ų | 141 | 84.3 Ų | 84.3 | 61% | 0.613 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -79 | -33.7 | 170.1 | -75.2 | 174.5 | -174.8 | 168.7 | 0 | 112.3 | T2251 A2252 E2253 H2258 | T2251-K2255 VanDerWaalsContact O-CD 3.28Å; T2251-K2255 WeakPolarHBondContact O-CD 3.46Å; T2251-K2255 VanDerWaalsContact O-CG 3.24Å; T2251-K2255 WeakPolarHBondContact O-CG 3.46Å; A2252-K2255 WeakPolarHBondContact O-CB 3.41Å; A2252-K2255 PolarHBondContact O-N 3.34Å; A2252-K2255 VanDerWaalsContact O-N 3.15Å; E2253-K2255 PolarHBondContact O-N 3.46Å; K2255-H2258 PolarHBondContact O-N 2.92Å |
| 2256 | A | 59.3 | Low | 54 | Low | 40 Ų | 40 | 92.5 Ų | 92.5 | 33% | 0.331 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A2252 E2253 H2258 S2259 | A2252-A2256 PolarHBondContact O-N 2.92Å; E2253-A2256 WeakPolarHBondContact O-CA 3.25Å; E2253-A2256 WeakPolarHBondContact O-CB 3.25Å; E2253-A2256 PolarHBondContact O-N 3.01Å; A2256-H2258 PolarHBondContact O-N 2.89Å; A2256-S2259 WeakPolarHBondContact O-CB 3.43Å; A2256-S2259 PolarHBondContact O-N 3.19Å; A2256-S2259 PolarHBondContact O-OG 2.98Å |
| 2257 | C | 56.6 | Low | 52.2 | Low | 22 Ų | 22 | 98.8 Ų | 98.8 | 15% | 0.149 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -49.4 | -43.4 | 172 | -68.7 | 0 | 0 | 0 | 0 | 112.9 | N2180 E2253 S2259 | N2180-C2257 PolarHBondContact OD1-SG 2.99Å; E2253-C2257 PolarHBondContact O-N 3.5Å; E2253-C2257 PolarHBondContact O-SG 3.21Å; E2253-C2257 VanDerWaalsContact O-SG 3.37Å; C2257-S2259 VanDerWaalsContact C-N 3.25Å; C2257-S2259 PolarHBondContact O-N 3.34Å |
| 2258 | H | 52.2 | Low | 50.2 | Low | 116 Ų | 116 | 102.6 Ų | 102.6 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69 | -19.9 | -178.2 | -165.3 | -41.4 | 0 | 0 | 0 | 113 | K2255 A2256 F2260 D2331 | K2255-H2258 PolarHBondContact O-N 2.92Å; A2256-H2258 PolarHBondContact O-N 2.89Å; H2258-F2260 PolarHBondContact O-N 2.9Å; H2258-D2331 IonicContact CD2-OD1 3.91Å; H2258-D2331 IonicContact NE2-OD1 2.7Å |
| 2259 | S | 47.8 | Very low | 48 | Very low | 81 Ų | 81 | 100.3 Ų | 100.3 | 57% | 0.566 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -74.3 | -23.6 | -173.8 | 72.1 | 0 | 0 | 0 | 0 | 114.8 | A2256 C2257 G2261 | A2256-S2259 WeakPolarHBondContact O-CB 3.43Å; A2256-S2259 PolarHBondContact O-N 3.19Å; A2256-S2259 PolarHBondContact O-OG 2.98Å; C2257-S2259 VanDerWaalsContact C-N 3.25Å; C2257-S2259 PolarHBondContact O-N 3.34Å; S2259-G2261 PolarHBondContact O-N 3.15Å; S2259-G2261 VanDerWaalsContact O-N 3.11Å |
| 2260 | F | 43.8 | Very low | 46 | Very low | 143 Ų | 143 | 104.4 Ų | 104.4 | 63% | 0.627 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -4.1 | -177 | -74.2 | -81.1 | 0 | 0 | 0 | 115 | H2258 | H2258-F2260 PolarHBondContact O-N 2.9Š|
| 2261 | G | 42.3 | Very low | 44 | Very low | 67 Ų | 67 | 107.8 Ų | 107.8 | 69% | 0.691 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -23.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | S2259 | S2259-G2261 PolarHBondContact O-N 3.15Å; S2259-G2261 VanDerWaalsContact O-N 3.11Å |
| 2262 | I | 31.7 | Very low | 41.9 | Very low | 145 Ų | 145 | 115.7 Ų | 115.7 | 74% | 0.744 | 65% | 0.645 | S | S | * | * | trans | -143.3 | 91.5 | -165.4 | -44.6 | -179.5 | 0 | 0 | 0 | 113.6 | ||||
| 2263 | S | 27.8 | Very low | 40 | Very low | 112 Ų | 112 | 118.2 Ų | 118.2 | 78% | 0.783 | 66% | 0.657 | S | S | * | * | 172 | 134.2 | 119.9 | 52.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 2264 | L | 26.9 | Very low | 37.9 | Very low | 174 Ų | 174 | 121.2 Ų | 121.2 | 91% | 0.911 | 68% | 0.679 | S | S | * | * | trans | -174.5 | 108.9 | 144.6 | -109.3 | 155.2 | 0 | 0 | 0 | 108.4 | ||||
| 2265 | R | 29.8 | Very low | 36.1 | Very low | 242 Ų | 242 | 126 Ų | 126 | 91% | 0.913 | 71% | 0.709 | S | S | * | * | trans | -153 | 128.7 | 178.8 | -122.9 | -174.9 | -177.4 | -164.9 | 1.1 | 110.8 | ||||
| 2266 | R | 29.5 | Very low | 34.4 | Very low | 239 Ų | 239 | 125.9 Ų | 125.9 | 90% | 0.902 | 72% | 0.715 | S | S | * | * | trans | 69.6 | 147.3 | -174.8 | -55.2 | 174.2 | 170.2 | 161.8 | -4.8 | 113 | ||||
| 2267 | T | 32.7 | Very low | 32.8 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 87% | 0.871 | 73% | 0.734 | S | S | * | * | cis | -110.5 | -175.9 | 5 | 46.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2268 | S | 28.1 | Very low | 31.3 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | -147.1 | 161.9 | -170.5 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2269 | S | 27.6 | Very low | 30.1 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 72.5 | 146.8 | 173.5 | 79.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 2270 | V | 27.9 | Very low | 29 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | cis | -157.4 | 147.4 | -15.9 | 122.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 2271 | G | 27.6 | Very low | 28 | Very low | 73 Ų | 73 | 139.1 Ų | 139.1 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | 156.9 | 116.6 | 169 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 2272 | H | 25.7 | Very low | 27.2 | Very low | 196 Ų | 196 | 140.2 Ų | 140.2 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | trans | -91.5 | 172.8 | 164 | -80.7 | -71.8 | 0 | 0 | 0 | 110 | ||||
| 2273 | P | 28 | Very low | 26.9 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | cis | -132.2 | 174.1 | 6.5 | 41.9 | -25.4 | 0 | 0 | 0 | 116.5 | ||||
| 2274 | T | 25.5 | Very low | 26.6 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | trans | 24.6 | 142.6 | 149.1 | 59.9 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 2275 | T | 25.4 | Very low | 26.6 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | 96.8 | 130.9 | 154.6 | 71.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 2276 | N | 25.6 | Very low | 26.4 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | 70.7 | 117.4 | 145.3 | -62.9 | -2.4 | 0 | 0 | 0 | 123.1 | ||||
| 2277 | T | 25.8 | Very low | 26.3 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | 65.2 | 112.9 | 135 | 57.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 2278 | S | 26.2 | Very low | 25.9 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | trans | 62 | 136.5 | 131.2 | 71.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 2279 | L | 26.7 | Very low | 25.8 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | cis | -144 | 166.4 | 7.3 | -87 | 119.1 | 0 | 0 | 0 | 108.9 | R2281 | L2279-R2281 HydrophobicContact CB-CB 3.97Å; L2279-R2281 HydrophobicContact CD2-CB 3.99Å | ||
| 2280 | P | 24.6 | Very low | 25.7 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | -109.6 | 142.7 | 86.5 | 32.1 | -35.2 | 0 | 0 | 0 | 110.6 | |||||
| 2281 | R | 22.8 | Very low | 25.6 | Very low | 197 Ų | 197 | 126.6 Ų | 126.6 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | cis | 56.3 | 69 | 24.3 | -135.8 | 178.3 | -160.9 | 176.9 | 7.4 | 113.3 | L2279 | L2279-R2281 HydrophobicContact CB-CB 3.97Å; L2279-R2281 HydrophobicContact CD2-CB 3.99Å | ||
| 2282 | S | 24.3 | Very low | 25.5 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | trans | -40.9 | 134.2 | 143.2 | 38.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2283 | P | 25.4 | Very low | 25.4 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | trans | -61.3 | 132.3 | 144.8 | 29.1 | -31.1 | 0 | 0 | 0 | 106.9 | ||||
| 2284 | S | 23.3 | Very low | 25.3 | Very low | 111 Ų | 111 | 132 Ų | 132 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | cis | 65.5 | 36.9 | 15.7 | 106 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 2285 | S | 25.6 | Very low | 25.2 | Very low | 91 Ų | 91 | 131 Ų | 131 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | trans | -142.5 | 95.4 | 157.6 | 61 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2286 | R | 26.6 | Very low | 25.3 | Very low | 234 Ų | 234 | 130.5 Ų | 130.5 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | trans | 51.9 | 115.1 | 146.2 | -61 | 170.5 | 177.6 | 163.8 | -3 | 117.7 | ||||
| 2287 | S | 26.9 | Very low | 25.3 | Very low | 99 Ų | 99 | 128 Ų | 128 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | 57.4 | 112.4 | 60.6 | 84.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 2288 | S | 25.3 | Very low | 25.3 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | 64.2 | 136.6 | 156.6 | 61.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 2289 | S | 25.3 | Very low | 26 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | trans | 97.8 | 126.5 | 139.2 | 72.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 2290 | T | 26 | Very low | 26 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | trans | 67.3 | 106.3 | 141.7 | 48.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 2291 | H | 25.2 | Very low | 26.1 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 75% | 0.75 | 74% | 0.736 | S | S | * | * | 43 | 125.8 | 117.3 | -77.5 | -78.2 | 0 | 0 | 0 | 122.5 | |||||
| 2292 | L | 25.5 | Very low | 26.3 | Very low | 142 Ų | 142 | 126 Ų | 126 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | trans | 67.2 | 148 | 137 | -58.2 | 169.6 | 0 | 0 | 0 | 116.8 | ||||
| 2293 | R | 24.1 | Very low | 26.3 | Very low | 206 Ų | 206 | 125.8 Ų | 125.8 | 78% | 0.777 | 74% | 0.742 | S | S | * | * | cis | -165.9 | 153.5 | 15.3 | -134.2 | 168.7 | 178.6 | -170.4 | 1.1 | 112 | ||||
| 2294 | L | 24.9 | Very low | 26.4 | Very low | 141 Ų | 141 | 126.2 Ų | 126.2 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | 67.9 | 133.1 | 141.9 | -84 | 163 | 0 | 0 | 0 | 125.2 | ||||
| 2295 | S | 24.4 | Very low | 26.6 | Very low | 94 Ų | 94 | 125.7 Ų | 125.7 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | trans | 81.4 | 105.5 | 133 | 59.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 2296 | S | 26.1 | Very low | 26.7 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | 89.9 | 125.1 | 114.9 | 68.8 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 2297 | A | 25.6 | Very low | 26.9 | Very low | 86 Ų | 86 | 119.7 Ų | 119.7 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | 87.6 | 93.9 | 132.5 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 2298 | S | 27 | Very low | 27 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | 77.5 | 176.8 | 119.3 | 89.7 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 2299 | P | 40.9 | Very low | 27.3 | Very low | 106 Ų | 106 | 123.9 Ų | 123.9 | 69% | 0.688 | 74% | 0.738 | S | S | * | * | -137.8 | 178.9 | -117.7 | 35.7 | -12.1 | 0 | 0 | 0 | 117.9 | |||||
| 2300 | Q | 26.7 | Very low | 27.5 | Very low | 169 Ų | 169 | 129 Ų | 129 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | 154.5 | 151.5 | 130.2 | -83.4 | -173.3 | 2.1 | 0 | 0 | 116.4 | ||||
| 2301 | T | 26.7 | Very low | 27.7 | Very low | 116 Ų | 116 | 130 Ų | 130 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | trans | 58.8 | 151 | 146 | 47.4 | 0 | 0 | 0 | 0 | 124 | ||||
| 2302 | T | 26.2 | Very low | 27.7 | Very low | 127 Ų | 127 | 127 Ų | 127 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | cis | -169.8 | 140.8 | -35.2 | 21 | 0 | 0 | 0 | 0 | 114 | ||||
| 2303 | A | 25.1 | Very low | 28.4 | Very low | 86 Ų | 86 | 126.3 Ų | 126.3 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | 65.9 | 143.7 | 134.4 | 0 | 0 | 0 | 0 | 0 | 127.7 | ||||
| 2304 | S | 27.6 | Very low | 29.4 | Very low | 117 Ų | 117 | 122 Ų | 122 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 77.1 | 154.6 | 142.7 | 68.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 2305 | S | 26.4 | Very low | 29.9 | Very low | 100 Ų | 100 | 121.2 Ų | 121.2 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | cis | -173.7 | 162.5 | -27.8 | 60 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2306 | S | 28.8 | Very low | 30.1 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | 71.1 | 159.5 | 156.5 | 81.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 2307 | S | 29.8 | Very low | 30.1 | Very low | 86 Ų | 86 | 123.1 Ų | 123.1 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | cis | -172.5 | 166.4 | -23.4 | 54.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 2308 | H | 29.4 | Very low | 30 | Very low | 165 Ų | 165 | 124.2 Ų | 124.2 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | 73.1 | 154.5 | 152.2 | -62.9 | -39.3 | 0 | 0 | 0 | 122.4 | ||||
| 2309 | L | 31 | Very low | 29.9 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 70% | 0.696 | 76% | 0.763 | S | S | * | * | cis | -170.2 | 162.7 | -15.9 | -112.4 | 173.8 | 0 | 0 | 0 | 116.1 | ||||
| 2310 | R | 30 | Very low | 29.2 | Very low | 209 Ų | 209 | 126.9 Ų | 126.9 | 79% | 0.789 | 77% | 0.766 | S | S | * | * | trans | 69.7 | 156.8 | 156.3 | -69.2 | -168.1 | 171.6 | 176.5 | -2.4 | 121.3 | ||||
| 2311 | N | 29.6 | Very low | 29.3 | Very low | 139 Ų | 139 | 124.5 Ų | 124.5 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | cis | -170.2 | 148.2 | -18.8 | -103.5 | 6.2 | 0 | 0 | 0 | 112.9 | ||||
| 2312 | A | 25.7 | Very low | 29.4 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 166.3 | 156.8 | 144.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2313 | P | 39.9 | Very low | 29.6 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | -135.9 | -145.4 | -156.7 | 49.8 | -29.8 | 0 | 0 | 0 | 117.6 | ||||
| 2314 | P | 45 | Very low | 29.7 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | trans | -129.9 | -172 | -130.4 | 37.1 | -11.3 | 0 | 0 | 0 | 117.9 | ||||
| 2315 | P | 35.5 | Very low | 29.8 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | -150.6 | -156.8 | 115.1 | 39.6 | -19.7 | 0 | 0 | 0 | 117.3 | |||||
| 2316 | L | 28.6 | Very low | 30.3 | Very low | 178 Ų | 178 | 132.9 Ų | 132.9 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | trans | -93.7 | 161.9 | -154.8 | -73.8 | 65.7 | 0 | 0 | 0 | 118.9 | ||||
| 2317 | G | 25.8 | Very low | 30.8 | Very low | 70 Ų | 70 | 132.9 Ų | 132.9 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | 172.1 | 110.8 | 155.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 2318 | S | 25.1 | Very low | 31.7 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | 51 | 119.8 | 149.2 | 61.7 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 2319 | T | 24.4 | Very low | 32.7 | Very low | 133 Ų | 133 | 126.7 Ų | 126.7 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | 82.4 | 149.2 | 129.5 | 55.3 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 2320 | I | 26.1 | Very low | 33.7 | Very low | 147 Ų | 147 | 122.1 Ų | 122.1 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | 75.9 | 120.5 | 170.2 | -50.4 | -177.7 | 0 | 0 | 0 | 118 | ||||
| 2321 | P | 29 | Very low | 34.8 | Very low | 120 Ų | 120 | 116.5 Ų | 116.5 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 140.4 | 166.7 | 35.6 | -31.1 | 0 | 0 | 0 | 112.4 | ||
| 2322 | L | 29.5 | Very low | 36.1 | Very low | 160 Ų | 160 | 118 Ų | 118 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 147.5 | 163.8 | -115 | 74.7 | 0 | 0 | 0 | 110.1 | ||
| 2323 | M | 29 | Very low | 37.3 | Very low | 183 Ų | 183 | 114.5 Ų | 114.5 | 90% | 0.901 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 127.1 | 168.5 | -91.5 | -148.9 | 158.9 | 0 | 0 | 111.4 | S2325 | M2323-S2325 PolarHBondContact O-N 3.05Š|
| 2324 | D | 27.7 | Very low | 38.1 | Very low | 173 Ų | 173 | 109 Ų | 109 | 93% | 0.925 | 65% | 0.652 | S | S | * | * | trans | -72.9 | 115.4 | 169 | -76.2 | -48.9 | 0 | 0 | 0 | 111 | ||||
| 2325 | S | 28.6 | Very low | 38.8 | Very low | 99 Ų | 99 | 108 Ų | 108 | 69% | 0.692 | 64% | 0.64 | S | S | * | * | trans | -144.9 | 141.8 | 163.1 | 63 | 0 | 0 | 0 | 0 | 110.8 | M2323 | M2323-S2325 PolarHBondContact O-N 3.05Š| ||
| 2326 | S | 37.5 | Very low | 39.7 | Very low | 106 Ų | 106 | 110.2 Ų | 110.2 | 74% | 0.741 | 63% | 0.632 | S | S | * | * | trans | 53.1 | 60.2 | 177.1 | 56.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2327 | S | 40.1 | Very low | 41.2 | Very low | 114 Ų | 114 | 102.2 Ų | 102.2 | 80% | 0.797 | 59% | 0.59 | S | S | * | * | trans | -83.1 | 107.6 | 141.3 | 61.5 | 0 | 0 | 0 | 0 | 108.1 | G2329 | S2327-G2329 PolarHBondContact O-N 2.73Å; S2327-G2329 VanDerWaalsContact O-N 3.14Å | ||
| 2328 | F | 47.6 | Very low | 42.9 | Very low | 81 Ų | 81 | 100.7 Ų | 100.7 | 36% | 0.355 | 57% | 0.565 | S | S | . | * | trans | -58.8 | 120.9 | 170.4 | -168.6 | -85 | 0 | 0 | 0 | 107.8 | E2219 F2330 A2333 | E2219-F2328 HydrophobicContact CG-CB 4.13Å; E2219-F2328 HydrophobicContact CG-CD2 4.31Å; E2219-F2328 HydrophobicContact CG-CG 4.17Å; F2328-F2330 HydrophobicContact CD1-CB 4.18Å; F2328-F2330 PolarHBondContact O-N 3.41Å; F2328-A2333 HydrophobicContact CE1-CB 4.38Å | ||
| 2329 | G | 50.8 | Low | 44.6 | Very low | 39 Ų | 39 | 101 Ų | 101 | 40% | 0.402 | 55% | 0.554 | S | S | . | * | trans | -75.1 | 55.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S2327 D2331 K2332 A2333 | S2327-G2329 PolarHBondContact O-N 2.73Å; S2327-G2329 VanDerWaalsContact O-N 3.14Å; G2329-D2331 VanDerWaalsContact C-N 3.31Å; G2329-D2331 PolarHBondContact O-N 3.3Å; G2329-K2332 CarbonylContact O-C 3.52Å; G2329-K2332 WeakPolarHBondContact O-CA 3.44Å; G2329-K2332 WeakPolarHBondContact O-CB 3.42Å; G2329-K2332 PolarHBondContact O-N 3.07Å; G2329-A2333 PolarHBondContact O-N 3.05Å | ||
| 2330 | F | 52.6 | Low | 46.1 | Very low | 38 Ų | 38 | 98.3 Ų | 98.3 | 17% | 0.167 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -54 | -45.5 | -171.3 | -179.1 | -102.1 | 0 | 0 | 0 | 111.8 | L2222 F2226 L2254 F2328 K2332 A2333 A2334 | L2222-F2330 HydrophobicContact CD1-CD2 3.81Å; L2222-F2330 HydrophobicContact CD1-CE2 3.53Å; L2222-F2330 HydrophobicContact CD1-CZ 4.44Å; L2222-F2330 HydrophobicContact CD2-CE2 3.97Å; L2222-F2330 HydrophobicContact CG-CE2 4.3Å; F2226-F2330 HydrophobicContact CE2-CD2 4.27Å; F2226-F2330 AromaticContact CE2-CE2 3.84Å; F2226-F2330 HydrophobicContact CE2-CE2 3.84Å; F2226-F2330 AromaticContact CZ-CE2 3.92Å; F2226-F2330 HydrophobicContact CZ-CE2 3.92Å; L2254-F2330 HydrophobicContact CD2-CE2 4.32Å; L2254-F2330 HydrophobicContact CD2-CZ 3.97Å; F2328-F2330 HydrophobicContact CD1-CB 4.18Å; F2328-F2330 PolarHBondContact O-N 3.41Å; F2330-K2332 VanDerWaalsContact C-N 3.3Å; F2330-K2332 PolarHBondContact O-N 3.46Å; F2330-A2333 PolarHBondContact O-N 3.44Å; F2330-A2333 VanDerWaalsContact O-N 3.13Å; F2330-A2334 HydrophobicContact CE1-CB 4.42Å; F2330-A2334 HydrophobicContact CZ-CB 4.45Å; F2330-A2334 VanDerWaalsContact O-CB 3.25Å; F2330-A2334 WeakPolarHBondContact O-CB 3.45Å; F2330-A2334 PolarHBondContact O-N 3.16Å |
| 2331 | D | 52.3 | Low | 47.6 | Very low | 90 Ų | 90 | 91.9 Ų | 91.9 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -35.8 | 176.9 | -57.6 | -30.8 | 0 | 0 | 0 | 112.3 | H2258 G2329 N2335 | H2258-D2331 IonicContact CD2-OD1 3.91Å; H2258-D2331 IonicContact NE2-OD1 2.7Å; G2329-D2331 VanDerWaalsContact C-N 3.31Å; G2329-D2331 PolarHBondContact O-N 3.3Å; D2331-N2335 WeakPolarHBondContact O-CB 3.27Å; D2331-N2335 VanDerWaalsContact O-CG 3.3Å; D2331-N2335 PolarHBondContact O-N 2.89Å; D2331-N2335 PolarHBondContact O-ND2 3.43Å |
| 2332 | K | 57.2 | Low | 48.9 | Very low | 171 Ų | 171 | 95.3 Ų | 95.3 | 74% | 0.743 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72.9 | -35.6 | 174.1 | -77.3 | -180 | 176.4 | 175.4 | 0 | 112.1 | G2329 F2330 R2336 | G2329-K2332 CarbonylContact O-C 3.52Å; G2329-K2332 WeakPolarHBondContact O-CA 3.44Å; G2329-K2332 WeakPolarHBondContact O-CB 3.42Å; G2329-K2332 PolarHBondContact O-N 3.07Å; F2330-K2332 VanDerWaalsContact C-N 3.3Å; F2330-K2332 PolarHBondContact O-N 3.46Å; K2332-R2336 WeakPolarHBondContact O-CB 3.46Å; K2332-R2336 WeakPolarHBondContact O-CG 3.38Å; K2332-R2336 PolarHBondContact O-N 3.43Å |
| 2333 | A | 52 | Low | 50.1 | Low | 25 Ų | 25 | 94.1 Ų | 94.1 | 21% | 0.207 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -73.5 | -45.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | F2328 G2329 F2330 R2336 F2337 | F2328-A2333 HydrophobicContact CE1-CB 4.38Å; G2329-A2333 PolarHBondContact O-N 3.05Å; F2330-A2333 PolarHBondContact O-N 3.44Å; F2330-A2333 VanDerWaalsContact O-N 3.13Å; A2333-R2336 PolarHBondContact O-N 3.13Å; A2333-F2337 VanDerWaalsContact O-CB 3.29Å; A2333-F2337 WeakPolarHBondContact O-CB 3.39Å; A2333-F2337 PolarHBondContact O-N 2.99Å |
| 2334 | A | 55.2 | Low | 51.1 | Low | 14 Ų | 14 | 90.7 Ų | 90.7 | 12% | 0.116 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F2226 F2330 F2337 I2338 | F2226-A2334 HydrophobicContact CZ-CB 4.29Å; F2330-A2334 HydrophobicContact CE1-CB 4.42Å; F2330-A2334 HydrophobicContact CZ-CB 4.45Å; F2330-A2334 VanDerWaalsContact O-CB 3.25Å; F2330-A2334 WeakPolarHBondContact O-CB 3.45Å; F2330-A2334 PolarHBondContact O-N 3.16Å; A2334-F2337 PolarHBondContact O-N 3.11Å; A2334-I2338 WeakPolarHBondContact O-CB 3.44Å; A2334-I2338 WeakPolarHBondContact O-CD1 3.33Å; A2334-I2338 VanDerWaalsContact O-CG1 3.22Å; A2334-I2338 WeakPolarHBondContact O-CG1 3.33Å; A2334-I2338 PolarHBondContact O-N 3.44Å |
| 2335 | N | 59.5 | Low | 51.8 | Low | 94 Ų | 94 | 89 Ų | 89 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 173.3 | -75.2 | -60.3 | 0 | 0 | 0 | 111.8 | D2331 F2337 I2338 E2339 | D2331-N2335 WeakPolarHBondContact O-CB 3.27Å; D2331-N2335 VanDerWaalsContact O-CG 3.3Å; D2331-N2335 PolarHBondContact O-N 2.89Å; D2331-N2335 PolarHBondContact O-ND2 3.43Å; N2335-F2337 PolarHBondContact O-N 3.19Å; N2335-I2338 CarbonylContact O-C 3.5Å; N2335-I2338 PolarHBondContact O-N 3.28Å; N2335-E2339 WeakPolarHBondContact O-CG 3.5Å; N2335-E2339 PolarHBondContact O-N 2.87Å |
| 2336 | R | 55.6 | Low | 52.9 | Low | 171 Ų | 171 | 88.5 Ų | 88.5 | 65% | 0.645 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.8 | -35.5 | 172 | -89.5 | -174.8 | 157.7 | -174.9 | -7.2 | 113.6 | K2332 A2333 I2338 E2339 L2340 | K2332-R2336 WeakPolarHBondContact O-CB 3.46Å; K2332-R2336 WeakPolarHBondContact O-CG 3.38Å; K2332-R2336 PolarHBondContact O-N 3.43Å; A2333-R2336 PolarHBondContact O-N 3.13Å; R2336-I2338 VanDerWaalsContact C-N 3.31Å; R2336-E2339 PolarHBondContact O-N 3.23Å; R2336-L2340 WeakPolarHBondContact O-CB 3.24Å; R2336-L2340 VanDerWaalsContact O-CG 3.28Å; R2336-L2340 WeakPolarHBondContact O-CG 3.19Å; R2336-L2340 PolarHBondContact O-N 2.99Å |
| 2337 | F | 59.9 | Low | 53.7 | Low | 11 Ų | 11 | 87.6 Ų | 87.6 | 5% | 0.048 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 173.6 | -177 | -89.7 | 0 | 0 | 0 | 110.5 | F2226 S2229 L2233 L2247 L2250 A2333 A2334 N2335 S2341 | F2226-F2337 HydrophobicContact CD1-CB 4.31Å; F2226-F2337 HydrophobicContact CD1-CD1 4.26Å; F2226-F2337 AromaticContact CD1-CD2 3.75Å; F2226-F2337 HydrophobicContact CD1-CD2 3.75Å; F2226-F2337 HydrophobicContact CD1-CE2 4.09Å; F2226-F2337 AromaticContact CD1-CG 3.84Å; F2226-F2337 HydrophobicContact CD1-CG 3.84Å; F2226-F2337 HydrophobicContact CD1-CZ 4.49Å; F2226-F2337 HydrophobicContact CE1-CB 4.2Å; F2226-F2337 HydrophobicContact CE1-CD1 4.18Å; F2226-F2337 HydrophobicContact CE1-CD2 4.38Å; F2226-F2337 AromaticContact CE1-CG 3.99Å; F2226-F2337 HydrophobicContact CE1-CG 3.99Å; S2229-F2337 WeakPolarHBondContact OG-CE2 3.49Å; S2229-F2337 VanDerWaalsContact OG-CZ 3.29Å; S2229-F2337 WeakPolarHBondContact OG-CZ 3.46Å; L2233-F2337 HydrophobicContact CD1-CE1 4.4Å; L2233-F2337 HydrophobicContact CD1-CE2 4.36Å; L2233-F2337 HydrophobicContact CD1-CZ 3.72Å; L2247-F2337 HydrophobicContact CD1-CE1 4.16Å; L2250-F2337 HydrophobicContact CD2-CD1 4.32Å; L2250-F2337 HydrophobicContact CD2-CE1 3.51Å; L2250-F2337 HydrophobicContact CD2-CZ 3.97Å; A2333-F2337 VanDerWaalsContact O-CB 3.29Å; A2333-F2337 WeakPolarHBondContact O-CB 3.39Å; A2333-F2337 PolarHBondContact O-N 2.99Å; A2334-F2337 PolarHBondContact O-N 3.11Å; N2335-F2337 PolarHBondContact O-N 3.19Å; F2337-S2341 VanDerWaalsContact O-CB 3.3Å; F2337-S2341 WeakPolarHBondContact O-CB 3.49Å; F2337-S2341 PolarHBondContact O-N 3.13Å; F2337-S2341 PolarHBondContact O-OG 3.1Å |
| 2338 | I | 62 | Low | 54.5 | Low | 38 Ų | 38 | 86.1 Ų | 86.1 | 20% | 0.195 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68.9 | -31.3 | 172.9 | -68.6 | 164.8 | 0 | 0 | 0 | 112 | T2251 A2334 N2335 R2336 S2341 R2342 | T2251-I2338 HydrophobicContact CG2-CD1 4.32Å; T2251-I2338 HydrophobicContact CG2-CG1 3.91Å; A2334-I2338 WeakPolarHBondContact O-CB 3.44Å; A2334-I2338 WeakPolarHBondContact O-CD1 3.33Å; A2334-I2338 VanDerWaalsContact O-CG1 3.22Å; A2334-I2338 WeakPolarHBondContact O-CG1 3.33Å; A2334-I2338 PolarHBondContact O-N 3.44Å; N2335-I2338 CarbonylContact O-C 3.5Å; N2335-I2338 PolarHBondContact O-N 3.28Å; R2336-I2338 VanDerWaalsContact C-N 3.31Å; I2338-S2341 WeakPolarHBondContact CA-OG 3.5Å; I2338-S2341 PolarHBondContact O-OG 2.69Å; I2338-R2342 WeakPolarHBondContact O-CB 3.15Å; I2338-R2342 VanDerWaalsContact O-CD 3.27Å; I2338-R2342 WeakPolarHBondContact O-CD 3.41Å; I2338-R2342 WeakPolarHBondContact O-CG 3.17Å; I2338-R2342 PolarHBondContact O-N 2.94Å |
| 2339 | E | 60.9 | Low | 54.9 | Low | 113 Ų | 113 | 86.4 Ų | 86.4 | 53% | 0.528 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -71 | -51.8 | 170.4 | -73.7 | 179.6 | 126.7 | 0 | 0 | 111.7 | N2335 R2336 S2341 R2342 L2343 | N2335-E2339 WeakPolarHBondContact O-CG 3.5Å; N2335-E2339 PolarHBondContact O-N 2.87Å; R2336-E2339 PolarHBondContact O-N 3.23Å; E2339-S2341 VanDerWaalsContact C-N 3.33Å; E2339-S2341 PolarHBondContact O-N 3.19Å; E2339-R2342 CarbonylContact O-C 3.51Å; E2339-R2342 WeakPolarHBondContact O-CA 3.28Å; E2339-R2342 WeakPolarHBondContact O-CB 3.22Å; E2339-R2342 PolarHBondContact O-N 3.22Å; E2339-L2343 WeakPolarHBondContact O-CG 3.39Å; E2339-L2343 PolarHBondContact O-N 3.31Å |
| 2340 | L | 55.5 | Low | 55.2 | Low | 78 Ų | 78 | 89.4 Ų | 89.4 | 41% | 0.408 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.2 | -38.3 | -178.9 | -72.5 | 167 | 0 | 0 | 0 | 112.3 | R2336 R2342 L2343 N2344 | R2336-L2340 WeakPolarHBondContact O-CB 3.24Å; R2336-L2340 VanDerWaalsContact O-CG 3.28Å; R2336-L2340 WeakPolarHBondContact O-CG 3.19Å; R2336-L2340 PolarHBondContact O-N 2.99Å; L2340-R2342 VanDerWaalsContact C-N 3.3Å; L2340-R2342 PolarHBondContact O-N 2.96Å; L2340-L2343 PolarHBondContact O-N 3.25Å; L2340-N2344 PolarHBondContact O-N 3.49Å |
| 2341 | S | 57.4 | Low | 55.3 | Low | 11 Ų | 11 | 92.8 Ų | 92.8 | 8% | 0.077 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -74.2 | -16.6 | 173 | 55.3 | 0 | 0 | 0 | 0 | 114.2 | L2247 F2337 I2338 E2339 | L2247-S2341 VanDerWaalsContact CD1-CB 3.48Å; L2247-S2341 WeakPolarHBondContact CD1-OG 3.39Å; F2337-S2341 VanDerWaalsContact O-CB 3.3Å; F2337-S2341 WeakPolarHBondContact O-CB 3.49Å; F2337-S2341 PolarHBondContact O-N 3.13Å; F2337-S2341 PolarHBondContact O-OG 3.1Å; I2338-S2341 WeakPolarHBondContact CA-OG 3.5Å; I2338-S2341 PolarHBondContact O-OG 2.69Å; E2339-S2341 VanDerWaalsContact C-N 3.33Å; E2339-S2341 PolarHBondContact O-N 3.19Å |
| 2342 | R | 56.3 | Low | 55.5 | Low | 193 Ų | 193 | 93 Ų | 93 | 73% | 0.728 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -85 | -18.4 | 166.6 | -77 | 170.7 | 174.4 | -178.6 | -4.8 | 113.4 | I2338 E2339 L2340 | I2338-R2342 WeakPolarHBondContact O-CB 3.15Å; I2338-R2342 VanDerWaalsContact O-CD 3.27Å; I2338-R2342 WeakPolarHBondContact O-CD 3.41Å; I2338-R2342 WeakPolarHBondContact O-CG 3.17Å; I2338-R2342 PolarHBondContact O-N 2.94Å; E2339-R2342 CarbonylContact O-C 3.51Å; E2339-R2342 WeakPolarHBondContact O-CA 3.28Å; E2339-R2342 WeakPolarHBondContact O-CB 3.22Å; E2339-R2342 PolarHBondContact O-N 3.22Å; L2340-R2342 VanDerWaalsContact C-N 3.3Å; L2340-R2342 PolarHBondContact O-N 2.96Å |
| 2343 | L | 54.1 | Low | 55.4 | Low | 134 Ų | 134 | 87 Ų | 87 | 70% | 0.702 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -90.9 | -19.5 | 177 | -72.1 | 164.6 | 0 | 0 | 0 | 113 | E2339 L2340 | E2339-L2343 WeakPolarHBondContact O-CG 3.39Å; E2339-L2343 PolarHBondContact O-N 3.31Å; L2340-L2343 PolarHBondContact O-N 3.25Å |
| 2344 | N | 51 | Low | 55.7 | Low | 112 Ų | 112 | 92.2 Ų | 92.2 | 60% | 0.599 | 44% | 0.439 | S | S | * | . | trans | -108.1 | 32 | 178.7 | -72.1 | -18.3 | 0 | 0 | 0 | 113 | L2340 | L2340-N2344 PolarHBondContact O-N 3.49Š| ||
| 2345 | L | 41.3 | Very low | 55.8 | Low | 137 Ų | 137 | 99.3 Ų | 99.3 | 72% | 0.717 | 47% | 0.468 | S | S | * | . | trans | -124.8 | 0 | -175.4 | -122.5 | 177.1 | 0 | 0 | 0 | 112.6 | Q2244 L2247 | Q2244-L2345 HydrophobicContact CG-CD2 4.36Å; L2247-L2345 HydrophobicContact CD2-CD1 3.81Å |
Retrieved 2,345 of 2,345 residues in 2058.8 ms
(Link to these results)