| 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 | 79.7 | Confident | 77.9 | Confident | 31 Ų | 31 | 21.4 Ų | 21.4 | 15% | 0.153 | 14% | 0.135 | C | C | . | . | 0 | -55.3 | 0 | -148.2 | 150 | 59.7 | 0 | 0 | 112.5 | P4 A5 I20 T23 G24 L207 V255 I256 A259 | M1-P4 WeakPolarHBondContact O-CD 3.35Å; M1-P4 WeakPolarHBondContact O-CG 3.22Å; M1-A5 PolarHBondContact O-N 3.01Å; M1-I20 HydrophobicContact CE-CG2 4.21Å; M1-I20 HydrophobicContact CG-CG2 4.44Å; M1-T23 HydrophobicContact CG-CG2 4.43Å; M1-G24 WeakPolarHBondContact SD-CA 3.32Å; M1-L207 HydrophobicContact CB-CD1 4.11Å; M1-L207 HydrophobicContact CB-CD2 4.19Å; M1-L207 HydrophobicContact CG-CD1 3.96Å; M1-L207 HydrophobicContact SD-CD1 3.9Å; M1-L207 HydrophobicContact SD-CD2 4.16Å; M1-V255 HydrophobicContact CE-CG1 3.87Å; M1-V255 WeakPolarHBondContact CE-O 3.48Å; M1-I256 HydrophobicContact CE-CB 4.21Å; M1-I256 HydrophobicContact CE-CG1 3.85Å; M1-I256 HydrophobicContact SD-CG1 4.26Å; M1-A259 HydrophobicContact CB-CB 4.12Å; M1-A259 HydrophobicContact CE-CB 3.27Å; M1-A259 HydrophobicContact CG-CB 4.48Å | |||
| 2 | Y | 83 | Confident | 77.5 | Confident | 23 Ų | 23 | 23.3 Ų | 23.3 | 9% | 0.09 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.3 | -47.2 | 178.5 | -178.8 | -99.8 | 0 | 0 | 0 | 114.1 | A5 L6 V16 I20 K172 V262 V269 | Y2-A5 WeakPolarHBondContact O-CB 3.49Å; Y2-A5 PolarHBondContact O-N 3.43Å; Y2-A5 VanDerWaalsContact O-N 3.16Å; Y2-L6 HydrophobicContact CE1-CB 4.39Å; Y2-L6 HydrophobicContact CE1-CD2 3.92Å; Y2-L6 WeakPolarHBondContact O-CB 3.36Å; Y2-L6 PolarHBondContact O-N 3.37Å; Y2-V16 HydrophobicContact CD2-CG1 4.37Å; Y2-V16 HydrophobicContact CE2-CG1 4.07Å; Y2-I20 HydrophobicContact CD2-CD1 3.98Å; Y2-K172 PolarHBondContact OH-NZ 3.5Å; Y2-V262 HydrophobicContact CD1-CG1 4Å; Y2-V262 HydrophobicContact CG-CB 4.45Å; Y2-V262 HydrophobicContact CG-CG1 3.94Å; Y2-V269 HydrophobicContact CD1-CG2 4.08Å; Y2-V269 HydrophobicContact CE1-CG2 4.46Å |
| 3 | A | 78.3 | Confident | 77.2 | Confident | 37 Ų | 37 | 32.6 Ų | 32.6 | 31% | 0.306 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56.6 | -53.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A5 L6 A7 V269 | A3-A5 VanDerWaalsContact C-N 3.26Å; A3-A5 PolarHBondContact O-N 3.42Å; A3-L6 PolarHBondContact O-N 3.41Å; A3-A7 WeakPolarHBondContact O-CB 3.32Å; A3-A7 PolarHBondContact O-N 3.47Å; A3-V269 HydrophobicContact CB-CG1 4.15Å; A3-V269 HydrophobicContact CB-CG2 4.37Å |
| 4 | P | 79.2 | Confident | 76.8 | Confident | 8 Ų | 8 | 35.2 Ų | 35.2 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -34.5 | 175.7 | 15.7 | -25.9 | 0 | 0 | 0 | 113 | M1 A7 L8 L199 Y200 | M1-P4 WeakPolarHBondContact O-CD 3.35Å; M1-P4 WeakPolarHBondContact O-CG 3.22Å; P4-A7 PolarHBondContact O-N 3.44Å; P4-L8 PolarHBondContact O-N 2.75Å; P4-L199 HydrophobicContact CB-CD2 3.91Å; P4-Y200 HydrophobicContact CB-CD2 3.99Å; P4-Y200 HydrophobicContact CB-CE2 3.85Å; P4-Y200 HydrophobicContact CB-CG 4.44Å; P4-Y200 WeakPolarHBondContact O-CE2 3.47Å |
| 5 | A | 83.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.4 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 Y2 A3 L8 S9 V16 S19 I20 | M1-A5 PolarHBondContact O-N 3.01Å; Y2-A5 WeakPolarHBondContact O-CB 3.49Å; Y2-A5 PolarHBondContact O-N 3.43Å; Y2-A5 VanDerWaalsContact O-N 3.16Å; A3-A5 VanDerWaalsContact C-N 3.26Å; A3-A5 PolarHBondContact O-N 3.42Å; A5-L8 PolarHBondContact O-N 3.02Å; A5-S9 PolarHBondContact O-N 3.16Å; A5-S9 VanDerWaalsContact O-N 3.11Å; A5-V16 HydrophobicContact CB-CG1 4.17Å; A5-S19 VanDerWaalsContact CA-CB 3.5Å; A5-I20 HydrophobicContact CB-CG1 3.63Å |
| 6 | L | 80.1 | Confident | 77.5 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.3 | -37.5 | 176.1 | -171.7 | 73.3 | 0 | 0 | 0 | 112.2 | Y2 A3 S9 S10 V16 K172 D174 Q175 | Y2-L6 HydrophobicContact CE1-CB 4.39Å; Y2-L6 HydrophobicContact CE1-CD2 3.92Å; Y2-L6 WeakPolarHBondContact O-CB 3.36Å; Y2-L6 PolarHBondContact O-N 3.37Å; A3-L6 PolarHBondContact O-N 3.41Å; L6-S9 PolarHBondContact O-OG 3.22Å; L6-S9 VanDerWaalsContact O-OG 3.05Å; L6-S10 PolarHBondContact O-N 3.44Å; L6-S10 PolarHBondContact O-OG 2.9Å; L6-V16 HydrophobicContact CD1-CG2 4.13Å; L6-K172 HydrophobicContact CD2-CB 4.23Å; L6-K172 HydrophobicContact CD2-CD 4.01Å; L6-D174 HydrophobicContact CD2-CB 4.4Å; L6-Q175 HydrophobicContact CD1-CG 4.44Å; L6-Q175 VanDerWaalsContact CD1-NE2 3.27Å; L6-Q175 HydrophobicContact CD2-CG 3.95Å; L6-Q175 HydrophobicContact CG-CG 3.79Å |
| 7 | A | 75.5 | Confident | 77.9 | Confident | 8 Ų | 8 | 39.8 Ų | 39.8 | 7% | 0.066 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66 | -40.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | A3 P4 S10 V11 P178 L199 | A3-A7 WeakPolarHBondContact O-CB 3.32Å; A3-A7 PolarHBondContact O-N 3.47Å; P4-A7 PolarHBondContact O-N 3.44Å; A7-S10 WeakPolarHBondContact CA-OG 3.32Å; A7-S10 PolarHBondContact O-N 3.1Å; A7-S10 PolarHBondContact O-OG 3.36Å; A7-V11 WeakPolarHBondContact O-CG2 3.39Å; A7-P178 HydrophobicContact CB-CB 4.26Å; A7-P178 HydrophobicContact CB-CG 3.51Å; A7-L199 HydrophobicContact CB-CD1 4.33Å; A7-L199 HydrophobicContact CB-CD2 3.55Å |
| 8 | L | 76.9 | Confident | 78.2 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.8 | -40.9 | 178.3 | -163.8 | 64.1 | 0 | 0 | 0 | 111.9 | P4 A5 S10 V11 T12 L14 S19 V196 Y200 | P4-L8 PolarHBondContact O-N 2.75Å; A5-L8 PolarHBondContact O-N 3.02Å; L8-S10 PolarHBondContact O-N 3.38Å; L8-V11 PolarHBondContact O-N 2.99Å; L8-T12 HydrophobicContact CD1-CG2 3.75Å; L8-T12 HydrophobicContact CG-CG2 4.18Å; L8-T12 WeakPolarHBondContact O-CB 3.23Å; L8-T12 PolarHBondContact O-N 3.06Å; L8-T12 PolarHBondContact O-OG1 3.42Å; L8-L14 HydrophobicContact CD2-CD1 3.81Å; L8-L14 HydrophobicContact CG-CD1 4.42Å; L8-S19 WeakPolarHBondContact CD2-OG 3.31Å; L8-V196 HydrophobicContact CD1-CG1 3.49Å; L8-V196 VanDerWaalsContact CD1-CG1 3.49Å; L8-Y200 HydrophobicContact CB-CE2 4.01Å; L8-Y200 HydrophobicContact CD1-CE2 4.39Å; L8-Y200 HydrophobicContact CD2-CE2 4.02Å; L8-Y200 WeakPolarHBondContact CD2-OH 3.39Å; L8-Y200 HydrophobicContact CG-CE2 4.37Å |
| 9 | S | 78 | Confident | 78.6 | Confident | 33 Ų | 33 | 39.1 Ų | 39.1 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.9 | -13.9 | 179.7 | 77.6 | 0 | 0 | 0 | 0 | 114 | A5 L6 T12 L14 V16 | A5-S9 PolarHBondContact O-N 3.16Å; A5-S9 VanDerWaalsContact O-N 3.11Å; L6-S9 PolarHBondContact O-OG 3.22Å; L6-S9 VanDerWaalsContact O-OG 3.05Å; S9-T12 CarbonylContact C-O 3.59Å; S9-L14 VanDerWaalsContact CA-O 3.24Å; S9-L14 WeakPolarHBondContact CA-O 3.42Å; S9-L14 WeakPolarHBondContact CB-O 3.4Å; S9-V16 WeakPolarHBondContact OG-CG2 3.19Å |
| 10 | S | 70.3 | Confident | 79 | Confident | 31 Ų | 31 | 37.3 Ų | 37.3 | 22% | 0.217 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -90.8 | -16 | 177.3 | 30.3 | 0 | 0 | 0 | 0 | 112.7 | L6 A7 L8 | L6-S10 PolarHBondContact O-N 3.44Å; L6-S10 PolarHBondContact O-OG 2.9Å; A7-S10 WeakPolarHBondContact CA-OG 3.32Å; A7-S10 PolarHBondContact O-N 3.1Å; A7-S10 PolarHBondContact O-OG 3.36Å; L8-S10 PolarHBondContact O-N 3.38Å |
| 11 | V | 72.2 | Confident | 79.5 | Confident | 42 Ų | 42 | 38.9 Ų | 38.9 | 26% | 0.255 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -119.6 | -4.6 | 179 | -58.5 | 0 | 0 | 0 | 0 | 113.3 | A7 L8 P178 A182 V196 | A7-V11 WeakPolarHBondContact O-CG2 3.39Å; L8-V11 PolarHBondContact O-N 2.99Å; V11-P178 VanDerWaalsContact CG1-C 3.42Å; V11-P178 HydrophobicContact CG1-CB 3.61Å; V11-P178 WeakPolarHBondContact CG1-O 3.39Å; V11-A182 HydrophobicContact CB-CB 4.23Å; V11-A182 HydrophobicContact CG1-CB 3.78Å; V11-V196 HydrophobicContact CG2-CG2 3.85Å |
| 12 | T | 74.1 | Confident | 79.6 | Confident | 45 Ų | 45 | 39 Ų | 39 | 28% | 0.276 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -139.5 | 157.3 | 177.2 | 71.2 | 0 | 0 | 0 | 0 | 110.2 | L8 S9 L14 | L8-T12 HydrophobicContact CD1-CG2 3.75Å; L8-T12 HydrophobicContact CG-CG2 4.18Å; L8-T12 WeakPolarHBondContact O-CB 3.23Å; L8-T12 PolarHBondContact O-N 3.06Å; L8-T12 PolarHBondContact O-OG1 3.42Å; S9-T12 CarbonylContact C-O 3.59Å; T12-L14 PolarHBondContact O-N 3.32Å; T12-L14 WeakPolarHBondContact OG1-CB 3.4Å; T12-L14 PolarHBondContact OG1-N 2.93Å |
| 13 | P | 72.9 | Confident | 79.6 | Confident | 144 Ų | 144 | 38 Ų | 38 | 94% | 0.935 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -70.3 | 6.5 | 174.1 | 27.8 | -34 | 0 | 0 | 0 | 114.1 | N15 | P13-N15 PolarHBondContact O-N 3.26Š|
| 14 | L | 71.5 | Confident | 80 | Confident | 69 Ų | 69 | 36.2 Ų | 36.2 | 36% | 0.361 | 22% | 0.217 | S | C | . | . | trans | -72 | 126.9 | 178.2 | -85.9 | 154.8 | 0 | 0 | 0 | 111.6 | L8 S9 T12 V18 | L8-L14 HydrophobicContact CD2-CD1 3.81Å; L8-L14 HydrophobicContact CG-CD1 4.42Å; S9-L14 VanDerWaalsContact CA-O 3.24Å; S9-L14 WeakPolarHBondContact CA-O 3.42Å; S9-L14 WeakPolarHBondContact CB-O 3.4Å; T12-L14 PolarHBondContact O-N 3.32Å; T12-L14 WeakPolarHBondContact OG1-CB 3.4Å; T12-L14 PolarHBondContact OG1-N 2.93Å; L14-V18 HydrophobicContact CD2-CB 4.26Å; L14-V18 HydrophobicContact CD2-CG1 3.79Å | ||
| 15 | N | 82.5 | Confident | 80.4 | Confident | 91 Ų | 91 | 40 Ų | 40 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | trans | -63.3 | 137.7 | 172.7 | -172.5 | -33.7 | 0 | 0 | 0 | 110.8 | P13 T17 V18 S19 | P13-N15 PolarHBondContact O-N 3.26Å; N15-T17 PolarHBondContact O-N 3.47Å; N15-T17 VanDerWaalsContact O-N 3.11Å; N15-T17 PolarHBondContact OD1-N 2.98Å; N15-T17 PolarHBondContact OD1-OG1 3.27Å; N15-V18 HydrophobicContact CB-CG2 4.33Å; N15-V18 PolarHBondContact O-N 3.08Å; N15-S19 PolarHBondContact O-N 3.24Å; N15-S19 VanDerWaalsContact O-N 3.09Å | ||
| 16 | V | 82.2 | Confident | 80.4 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 18% | 0.182 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -47.5 | -39.9 | 174.2 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | Y2 A5 L6 S9 V18 S19 I20 | Y2-V16 HydrophobicContact CD2-CG1 4.37Å; Y2-V16 HydrophobicContact CE2-CG1 4.07Å; A5-V16 HydrophobicContact CB-CG1 4.17Å; L6-V16 HydrophobicContact CD1-CG2 4.13Å; S9-V16 WeakPolarHBondContact OG-CG2 3.19Å; V16-V18 PolarHBondContact O-N 2.92Å; V16-S19 PolarHBondContact O-N 3.45Å; V16-I20 HydrophobicContact CG1-CD1 3.92Å; V16-I20 HydrophobicContact CG1-CG1 4.31Å; V16-I20 WeakPolarHBondContact O-CG1 3.16Å; V16-I20 PolarHBondContact O-N 3.45Å |
| 17 | T | 84.8 | Confident | 80.5 | Confident | 63 Ų | 63 | 42.2 Ų | 42.2 | 39% | 0.387 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.5 | -47.9 | 178.4 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | N15 S19 I20 L21 F260 | N15-T17 PolarHBondContact O-N 3.47Å; N15-T17 VanDerWaalsContact O-N 3.11Å; N15-T17 PolarHBondContact OD1-N 2.98Å; N15-T17 PolarHBondContact OD1-OG1 3.27Å; T17-S19 VanDerWaalsContact C-N 3.34Å; T17-I20 PolarHBondContact O-N 3.03Å; T17-L21 HydrophobicContact CG2-CD1 4.46Å; T17-L21 PolarHBondContact O-N 2.88Å; T17-L21 VanDerWaalsContact O-N 3.11Å; T17-F260 HydrophobicContact CG2-CE1 3.54Å; T17-F260 HydrophobicContact CG2-CZ 3.88Å |
| 18 | V | 83.7 | Confident | 81.1 | Confident | 62 Ų | 62 | 42.2 Ų | 42.2 | 38% | 0.376 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 179.2 | 178 | 0 | 0 | 0 | 0 | 109.5 | L14 N15 V16 I20 L21 V22 | L14-V18 HydrophobicContact CD2-CB 4.26Å; L14-V18 HydrophobicContact CD2-CG1 3.79Å; N15-V18 HydrophobicContact CB-CG2 4.33Å; N15-V18 PolarHBondContact O-N 3.08Å; V16-V18 PolarHBondContact O-N 2.92Å; V18-I20 PolarHBondContact O-N 2.89Å; V18-L21 PolarHBondContact O-N 3.22Å; V18-V22 HydrophobicContact CG1-CG2 4.13Å; V18-V22 WeakPolarHBondContact O-CB 3.49Å; V18-V22 VanDerWaalsContact O-CG2 3.3Å; V18-V22 WeakPolarHBondContact O-CG2 3.28Å; V18-V22 PolarHBondContact O-N 3.12Å |
| 19 | S | 84.7 | Confident | 81.4 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 177.1 | -71.9 | 0 | 0 | 0 | 0 | 113 | A5 L8 N15 V16 T17 T23 | A5-S19 VanDerWaalsContact CA-CB 3.5Å; L8-S19 WeakPolarHBondContact CD2-OG 3.31Å; N15-S19 PolarHBondContact O-N 3.24Å; N15-S19 VanDerWaalsContact O-N 3.09Å; V16-S19 PolarHBondContact O-N 3.45Å; T17-S19 VanDerWaalsContact C-N 3.34Å; S19-T23 VanDerWaalsContact O-CB 3.32Å; S19-T23 WeakPolarHBondContact O-CB 3.48Å; S19-T23 PolarHBondContact O-N 2.92Å; S19-T23 PolarHBondContact O-OG1 3.28Å |
| 20 | I | 88.2 | Confident | 81.5 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.9 | -49.6 | 175.5 | -71 | 170.3 | 0 | 0 | 0 | 110.4 | M1 Y2 A5 V16 T17 V18 G24 A259 F260 | M1-I20 HydrophobicContact CE-CG2 4.21Å; M1-I20 HydrophobicContact CG-CG2 4.44Å; Y2-I20 HydrophobicContact CD2-CD1 3.98Å; A5-I20 HydrophobicContact CB-CG1 3.63Å; V16-I20 HydrophobicContact CG1-CD1 3.92Å; V16-I20 HydrophobicContact CG1-CG1 4.31Å; V16-I20 WeakPolarHBondContact O-CG1 3.16Å; V16-I20 PolarHBondContact O-N 3.45Å; T17-I20 PolarHBondContact O-N 3.03Å; V18-I20 PolarHBondContact O-N 2.89Å; I20-G24 PolarHBondContact O-N 3.04Å; I20-A259 HydrophobicContact CG2-CB 3.68Å; I20-F260 HydrophobicContact CB-CE1 4.4Å; I20-F260 HydrophobicContact CB-CZ 4.36Å; I20-F260 HydrophobicContact CD1-CD1 4.24Å; I20-F260 HydrophobicContact CD1-CE1 4.28Å; I20-F260 HydrophobicContact CG2-CD2 4.49Å; I20-F260 HydrophobicContact CG2-CE1 4.35Å; I20-F260 HydrophobicContact CG2-CE2 4.15Å; I20-F260 HydrophobicContact CG2-CZ 4.08Å |
| 21 | L | 88.4 | Confident | 82 | Confident | 71 Ų | 71 | 44 Ų | 44 | 37% | 0.372 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.7 | -48.9 | -179.8 | -84.4 | 161.4 | 0 | 0 | 0 | 111.8 | T17 V18 G24 L25 I256 F260 | T17-L21 HydrophobicContact CG2-CD1 4.46Å; T17-L21 PolarHBondContact O-N 2.88Å; T17-L21 VanDerWaalsContact O-N 3.11Å; V18-L21 PolarHBondContact O-N 3.22Å; L21-G24 PolarHBondContact O-N 3.08Å; L21-L25 HydrophobicContact CD2-CD1 4.48Å; L21-L25 VanDerWaalsContact O-CB 3.25Å; L21-L25 WeakPolarHBondContact O-CB 3.48Å; L21-L25 WeakPolarHBondContact O-CG 3.35Å; L21-L25 PolarHBondContact O-N 2.85Å; L21-I256 HydrophobicContact CD2-CG2 4.05Å; L21-F260 HydrophobicContact CD1-CZ 4.14Å; L21-F260 HydrophobicContact CD2-CE2 4.49Å; L21-F260 HydrophobicContact CG-CE2 4.27Å; L21-F260 HydrophobicContact CG-CZ 3.92Å |
| 22 | V | 82.5 | Confident | 82.4 | Confident | 34 Ų | 34 | 43.1 Ų | 43.1 | 21% | 0.206 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.4 | -50.5 | -179.4 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | V18 G24 L25 I26 | V18-V22 HydrophobicContact CG1-CG2 4.13Å; V18-V22 WeakPolarHBondContact O-CB 3.49Å; V18-V22 VanDerWaalsContact O-CG2 3.3Å; V18-V22 WeakPolarHBondContact O-CG2 3.28Å; V18-V22 PolarHBondContact O-N 3.12Å; V22-G24 VanDerWaalsContact C-N 3.31Å; V22-G24 PolarHBondContact O-N 2.97Å; V22-L25 PolarHBondContact O-N 2.94Å; V22-I26 HydrophobicContact CG1-CD1 3.66Å; V22-I26 HydrophobicContact CG1-CG1 4.5Å; V22-I26 WeakPolarHBondContact O-CB 3.42Å; V22-I26 VanDerWaalsContact O-CG1 3.23Å; V22-I26 WeakPolarHBondContact O-CG1 3.37Å; V22-I26 PolarHBondContact O-N 3.29Å |
| 23 | T | 82.9 | Confident | 82.4 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.5 | -42.8 | -179.1 | -44.3 | 0 | 0 | 0 | 0 | 111.2 | M1 S19 A27 Y200 L204 L207 | M1-T23 HydrophobicContact CG-CG2 4.43Å; S19-T23 VanDerWaalsContact O-CB 3.32Å; S19-T23 WeakPolarHBondContact O-CB 3.48Å; S19-T23 PolarHBondContact O-N 2.92Å; S19-T23 PolarHBondContact O-OG1 3.28Å; T23-A27 VanDerWaalsContact O-CB 3.25Å; T23-A27 WeakPolarHBondContact O-CB 3.35Å; T23-A27 PolarHBondContact O-N 2.94Å; T23-Y200 HydrophobicContact CG2-CD1 4.11Å; T23-Y200 HydrophobicContact CG2-CE1 3.89Å; T23-Y200 WeakPolarHBondContact OG1-CE1 3.29Å; T23-Y200 PolarHBondContact OG1-OH 3.27Å; T23-L204 HydrophobicContact CG2-CD2 3.84Å; T23-L204 HydrophobicContact CG2-CG 4.43Å; T23-L207 HydrophobicContact CG2-CD1 4.02Å |
| 24 | G | 86.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.3 | -44.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1 I20 L21 V22 A27 T28 | M1-G24 WeakPolarHBondContact SD-CA 3.32Å; I20-G24 PolarHBondContact O-N 3.04Å; L21-G24 PolarHBondContact O-N 3.08Å; V22-G24 VanDerWaalsContact C-N 3.31Å; V22-G24 PolarHBondContact O-N 2.97Å; G24-A27 PolarHBondContact O-N 3.24Å; G24-T28 VanDerWaalsContact O-CB 3.26Å; G24-T28 WeakPolarHBondContact O-CB 3.45Å; G24-T28 PolarHBondContact O-N 2.95Å; G24-T28 PolarHBondContact O-OG1 3.03Å |
| 25 | L | 86.6 | Confident | 82.4 | Confident | 89 Ų | 89 | 37.5 Ų | 37.5 | 47% | 0.466 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.5 | -43.3 | 178.3 | -72.3 | 170.1 | 0 | 0 | 0 | 111 | L21 V22 T28 F29 I256 | L21-L25 HydrophobicContact CD2-CD1 4.48Å; L21-L25 VanDerWaalsContact O-CB 3.25Å; L21-L25 WeakPolarHBondContact O-CB 3.48Å; L21-L25 WeakPolarHBondContact O-CG 3.35Å; L21-L25 PolarHBondContact O-N 2.85Å; V22-L25 PolarHBondContact O-N 2.94Å; L25-T28 PolarHBondContact O-N 3.36Å; L25-F29 WeakPolarHBondContact O-CB 3.38Å; L25-F29 PolarHBondContact O-N 2.89Å; L25-I256 HydrophobicContact CD2-CD1 4.05Å; L25-I256 HydrophobicContact CG-CD1 4.14Å |
| 26 | I | 83.7 | Confident | 82 | Confident | 54 Ų | 54 | 35 Ų | 35 | 28% | 0.277 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.6 | -52 | 175.1 | -69.3 | 170.4 | 0 | 0 | 0 | 110.1 | V22 T28 F29 Y30 L204 | V22-I26 HydrophobicContact CG1-CD1 3.66Å; V22-I26 HydrophobicContact CG1-CG1 4.5Å; V22-I26 WeakPolarHBondContact O-CB 3.42Å; V22-I26 VanDerWaalsContact O-CG1 3.23Å; V22-I26 WeakPolarHBondContact O-CG1 3.37Å; V22-I26 PolarHBondContact O-N 3.29Å; I26-T28 VanDerWaalsContact C-N 3.32Å; I26-T28 PolarHBondContact O-N 3.4Å; I26-F29 PolarHBondContact O-N 3.4Å; I26-Y30 HydrophobicContact CG2-CD1 4.3Å; I26-Y30 WeakPolarHBondContact O-CD1 3.32Å; I26-Y30 PolarHBondContact O-N 3.49Å; I26-Y30 VanDerWaalsContact O-N 3.09Å; I26-L204 HydrophobicContact CG2-CD2 4.31Å |
| 27 | A | 83.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59 | -43.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T23 G24 F29 Y30 T31 L204 L207 F211 | T23-A27 VanDerWaalsContact O-CB 3.25Å; T23-A27 WeakPolarHBondContact O-CB 3.35Å; T23-A27 PolarHBondContact O-N 2.94Å; G24-A27 PolarHBondContact O-N 3.24Å; A27-F29 VanDerWaalsContact C-N 3.35Å; A27-Y30 HydrophobicContact CB-CE1 4.36Å; A27-T31 VanDerWaalsContact O-CB 3.22Å; A27-T31 WeakPolarHBondContact O-CB 3.41Å; A27-T31 PolarHBondContact O-N 3.26Å; A27-T31 PolarHBondContact O-OG1 3.22Å; A27-L204 HydrophobicContact CB-CD2 3.91Å; A27-L207 HydrophobicContact CB-CB 3.74Å; A27-L207 HydrophobicContact CB-CD1 3.96Å; A27-L207 HydrophobicContact CB-CG 4.47Å; A27-F211 HydrophobicContact CB-CD2 4.4Å; A27-F211 HydrophobicContact CB-CE2 3.7Å |
| 28 | T | 86.5 | Confident | 81.2 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.7 | -46.1 | 178.7 | -57.4 | 0 | 0 | 0 | 0 | 110 | G24 L25 I26 T32 F211 G252 | G24-T28 VanDerWaalsContact O-CB 3.26Å; G24-T28 WeakPolarHBondContact O-CB 3.45Å; G24-T28 PolarHBondContact O-N 2.95Å; G24-T28 PolarHBondContact O-OG1 3.03Å; L25-T28 PolarHBondContact O-N 3.36Å; I26-T28 VanDerWaalsContact C-N 3.32Å; I26-T28 PolarHBondContact O-N 3.4Å; T28-T32 VanDerWaalsContact O-CB 3.24Å; T28-T32 WeakPolarHBondContact O-CB 3.3Å; T28-T32 PolarHBondContact O-N 3.2Å; T28-T32 PolarHBondContact O-OG1 3.27Å; T28-F211 WeakPolarHBondContact OG1-CE2 3.5Å; T28-G252 VanDerWaalsContact OG1-CA 3.24Å; T28-G252 WeakPolarHBondContact OG1-CA 3.22Å |
| 29 | F | 83.7 | Confident | 80.9 | Confident | 74 Ų | 74 | 35 Ų | 35 | 33% | 0.325 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.3 | -56.2 | -175.5 | -176.3 | -99 | 0 | 0 | 0 | 113 | L25 I26 A27 T31 T32 L33 L867 | L25-F29 WeakPolarHBondContact O-CB 3.38Å; L25-F29 PolarHBondContact O-N 2.89Å; I26-F29 PolarHBondContact O-N 3.4Å; A27-F29 VanDerWaalsContact C-N 3.35Å; F29-T31 VanDerWaalsContact C-N 3.26Å; F29-T31 PolarHBondContact O-N 3.28Å; F29-T32 PolarHBondContact O-N 3.08Å; F29-L33 HydrophobicContact CD1-CD1 4.08Å; F29-L33 HydrophobicContact CD2-CD1 4.3Å; F29-L33 HydrophobicContact CE1-CD1 3.48Å; F29-L33 VanDerWaalsContact CE1-CD1 3.48Å; F29-L33 HydrophobicContact CE2-CD1 3.74Å; F29-L33 HydrophobicContact CG-CD1 4.45Å; F29-L33 HydrophobicContact CZ-CD1 3.28Å; F29-L33 PolarHBondContact O-N 2.74Å; F29-L33 VanDerWaalsContact O-N 3.1Å; F29-L867 VanDerWaalsContact CZ-O 3.26Å; F29-L867 WeakPolarHBondContact CZ-O 3.16Å |
| 30 | Y | 79.7 | Confident | 80.7 | Confident | 39 Ų | 39 | 36.9 Ų | 36.9 | 15% | 0.153 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.6 | -30.4 | -176 | 83.4 | -103.8 | 0 | 0 | 0 | 112.2 | I26 A27 G34 V39 T42 L204 S208 | I26-Y30 HydrophobicContact CG2-CD1 4.3Å; I26-Y30 WeakPolarHBondContact O-CD1 3.32Å; I26-Y30 PolarHBondContact O-N 3.49Å; I26-Y30 VanDerWaalsContact O-N 3.09Å; A27-Y30 HydrophobicContact CB-CE1 4.36Å; Y30-G34 PolarHBondContact O-N 3.01Å; Y30-V39 HydrophobicContact CE2-CG2 4.05Å; Y30-T42 HydrophobicContact CE2-CG2 4.46Å; Y30-L204 HydrophobicContact CE1-CD2 4.44Å; Y30-L204 PolarHBondContact OH-O 3.26Å; Y30-S208 VanDerWaalsContact CE2-CB 3.42Å; Y30-S208 WeakPolarHBondContact OH-CB 3.43Å; Y30-S208 PolarHBondContact OH-OG 2.86Å |
| 31 | T | 81.6 | Confident | 80.2 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.5 | -43.5 | 176.8 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | A27 F29 L33 G35 V39 S208 F211 T212 | A27-T31 VanDerWaalsContact O-CB 3.22Å; A27-T31 WeakPolarHBondContact O-CB 3.41Å; A27-T31 PolarHBondContact O-N 3.26Å; A27-T31 PolarHBondContact O-OG1 3.22Å; F29-T31 VanDerWaalsContact C-N 3.26Å; F29-T31 PolarHBondContact O-N 3.28Å; T31-L33 VanDerWaalsContact C-N 3.3Å; T31-L33 PolarHBondContact O-N 2.98Å; T31-G35 PolarHBondContact O-N 3.44Å; T31-V39 HydrophobicContact CG2-CG2 4.2Å; T31-S208 WeakPolarHBondContact CG2-O 3.31Å; T31-S208 VanDerWaalsContact OG1-CA 3.23Å; T31-S208 WeakPolarHBondContact OG1-CA 3.36Å; T31-S208 WeakPolarHBondContact OG1-CB 3.27Å; T31-F211 HydrophobicContact CG2-CB 3.79Å; T31-T212 WeakPolarHBondContact CG2-OG1 3.16Å |
| 32 | T | 80.8 | Confident | 79.9 | Confident | 23 Ų | 23 | 44.2 Ų | 44.2 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -37.1 | 178.9 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | T28 F29 K245 C249 | T28-T32 VanDerWaalsContact O-CB 3.24Å; T28-T32 WeakPolarHBondContact O-CB 3.3Å; T28-T32 PolarHBondContact O-N 3.2Å; T28-T32 PolarHBondContact O-OG1 3.27Å; F29-T32 PolarHBondContact O-N 3.08Å; T32-K245 HydrophobicContact CG2-CB 3.89Å; T32-K245 WeakPolarHBondContact CG2-O 3.43Å; T32-K245 WeakPolarHBondContact O-CD 3.34Å; T32-K245 WeakPolarHBondContact O-CG 3.38Å; T32-C249 HydrophobicContact CG2-CB 4.19Å; T32-C249 PolarHBondContact OG1-N 3.46Å |
| 33 | L | 74.1 | Confident | 80 | Confident | 75 Ų | 75 | 43 Ų | 43 | 39% | 0.393 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -83.9 | -45.6 | -178.7 | -71.4 | 174.5 | 0 | 0 | 0 | 113.4 | F29 T31 V868 | F29-L33 HydrophobicContact CD1-CD1 4.08Å; F29-L33 HydrophobicContact CD2-CD1 4.3Å; F29-L33 HydrophobicContact CE1-CD1 3.48Å; F29-L33 VanDerWaalsContact CE1-CD1 3.48Å; F29-L33 HydrophobicContact CE2-CD1 3.74Å; F29-L33 HydrophobicContact CG-CD1 4.45Å; F29-L33 HydrophobicContact CZ-CD1 3.28Å; F29-L33 PolarHBondContact O-N 2.74Å; F29-L33 VanDerWaalsContact O-N 3.1Å; T31-L33 VanDerWaalsContact C-N 3.3Å; T31-L33 PolarHBondContact O-N 2.98Å; L33-V868 HydrophobicContact CD1-CG2 4.31Å |
| 34 | G | 68.4 | Low | 80 | Confident | 38 Ų | 38 | 46.3 Ų | 46.3 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -88.6 | -21.2 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y30 | Y30-G34 PolarHBondContact O-N 3.01Å |
| 35 | G | 75.3 | Confident | 79.7 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | 58.5 | -163.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113 | T31 N37 A38 V39 | T31-G35 PolarHBondContact O-N 3.44Å; G35-N37 VanDerWaalsContact C-N 3.32Å; G35-N37 PolarHBondContact O-N 3.27Å; G35-A38 PolarHBondContact O-N 3.14Å; G35-V39 WeakPolarHBondContact O-CG2 3.24Å; G35-V39 PolarHBondContact O-N 3.3Å |
| 36 | S | 73.6 | Confident | 79.8 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.7 | -34.4 | -171 | 64.1 | 0 | 0 | 0 | 0 | 114.3 | V39 V40 | S36-V39 PolarHBondContact O-N 3.06Å; S36-V40 WeakPolarHBondContact O-CG2 3.49Å; S36-V40 PolarHBondContact O-N 3.09Å |
| 37 | N | 76 | Confident | 79.9 | Confident | 117 Ų | 117 | 49.5 Ų | 49.5 | 63% | 0.626 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -66.1 | -42.4 | -178.1 | -76.9 | -11.4 | 0 | 0 | 0 | 112.5 | G35 V39 W41 | G35-N37 VanDerWaalsContact C-N 3.32Å; G35-N37 PolarHBondContact O-N 3.27Å; N37-V39 VanDerWaalsContact C-N 3.33Å; N37-W41 PolarHBondContact O-N 2.67Å |
| 38 | A | 75.1 | Confident | 80 | Confident | 34 Ų | 34 | 55.2 Ų | 55.2 | 28% | 0.281 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | G35 V40 W41 T42 | G35-A38 PolarHBondContact O-N 3.14Å; A38-V40 PolarHBondContact O-N 3.02Å; A38-W41 PolarHBondContact O-N 3.13Å; A38-T42 WeakPolarHBondContact O-CG2 3.44Å; A38-T42 PolarHBondContact O-N 3.26Å; A38-T42 PolarHBondContact O-OG1 3.13Å |
| 39 | V | 77 | Confident | 80 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.024 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.3 | -40 | 179.4 | 172.5 | 0 | 0 | 0 | 0 | 112.6 | Y30 T31 G35 S36 N37 T42 S43 S208 | Y30-V39 HydrophobicContact CE2-CG2 4.05Å; T31-V39 HydrophobicContact CG2-CG2 4.2Å; G35-V39 WeakPolarHBondContact O-CG2 3.24Å; G35-V39 PolarHBondContact O-N 3.3Å; S36-V39 PolarHBondContact O-N 3.06Å; N37-V39 VanDerWaalsContact C-N 3.33Å; V39-T42 PolarHBondContact O-OG1 3.45Å; V39-T42 VanDerWaalsContact O-OG1 3.12Å; V39-S43 VanDerWaalsContact O-CB 3.27Å; V39-S43 WeakPolarHBondContact O-CB 3.44Å; V39-S43 PolarHBondContact O-N 3.18Å; V39-S43 PolarHBondContact O-OG 3.12Å; V39-S208 WeakPolarHBondContact CG1-OG 3.43Å |
| 40 | V | 80.4 | Confident | 80.3 | Confident | 43 Ų | 43 | 55.6 Ų | 55.6 | 26% | 0.261 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.4 | -47 | 177.1 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | S36 A38 S43 T44 | S36-V40 WeakPolarHBondContact O-CG2 3.49Å; S36-V40 PolarHBondContact O-N 3.09Å; A38-V40 PolarHBondContact O-N 3.02Å; V40-S43 PolarHBondContact O-N 3.26Å; V40-T44 PolarHBondContact O-N 3.27Å; V40-T44 PolarHBondContact O-OG1 3.32Å; V40-T44 VanDerWaalsContact O-OG1 3.04Å |
| 41 | W | 78.3 | Confident | 80.7 | Confident | 184 Ų | 184 | 55.4 Ų | 55.4 | 70% | 0.697 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.7 | -44.1 | 179.8 | -89.5 | 105.6 | 0 | 0 | 0 | 113.4 | N37 A38 S43 T44 L45 | N37-W41 PolarHBondContact O-N 2.67Å; A38-W41 PolarHBondContact O-N 3.13Å; W41-S43 VanDerWaalsContact C-N 3.28Å; W41-S43 PolarHBondContact O-N 3.28Å; W41-T44 PolarHBondContact O-N 3.42Å; W41-L45 PolarHBondContact O-N 3.45Å |
| 42 | T | 81.1 | Confident | 81.1 | Confident | 44 Ų | 44 | 57.2 Ų | 57.2 | 27% | 0.27 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 176.4 | 55.5 | 0 | 0 | 0 | 0 | 110.9 | Y30 A38 V39 T44 L45 Q46 | Y30-T42 HydrophobicContact CE2-CG2 4.46Å; A38-T42 WeakPolarHBondContact O-CG2 3.44Å; A38-T42 PolarHBondContact O-N 3.26Å; A38-T42 PolarHBondContact O-OG1 3.13Å; V39-T42 PolarHBondContact O-OG1 3.45Å; V39-T42 VanDerWaalsContact O-OG1 3.12Å; T42-T44 VanDerWaalsContact C-N 3.35Å; T42-T44 PolarHBondContact O-N 2.84Å; T42-L45 PolarHBondContact O-N 2.95Å; T42-Q46 VanDerWaalsContact O-CB 3.31Å; T42-Q46 WeakPolarHBondContact O-CB 3.42Å; T42-Q46 WeakPolarHBondContact O-CG 3.39Å; T42-Q46 PolarHBondContact O-N 2.97Å; T42-Q46 PolarHBondContact O-OE1 3.21Å |
| 43 | S | 84.3 | Confident | 81.6 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 5% | 0.049 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 176 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | V39 V40 W41 Q46 M47 R120 S205 | V39-S43 VanDerWaalsContact O-CB 3.27Å; V39-S43 WeakPolarHBondContact O-CB 3.44Å; V39-S43 PolarHBondContact O-N 3.18Å; V39-S43 PolarHBondContact O-OG 3.12Å; V40-S43 PolarHBondContact O-N 3.26Å; W41-S43 VanDerWaalsContact C-N 3.28Å; W41-S43 PolarHBondContact O-N 3.28Å; S43-Q46 PolarHBondContact O-N 3.46Å; S43-M47 WeakPolarHBondContact O-CB 3.27Å; S43-M47 PolarHBondContact O-N 3.26Å; S43-R120 PolarHBondContact OG-NH2 3.08Å; S43-S205 WeakPolarHBondContact CB-OG 3.14Å; S43-S205 PolarHBondContact OG-OG 2.87Å |
| 44 | T | 83 | Confident | 82.4 | Confident | 71 Ų | 71 | 53.3 Ų | 53.3 | 44% | 0.436 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 177.8 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | V40 W41 T42 M47 L48 | V40-T44 PolarHBondContact O-N 3.27Å; V40-T44 PolarHBondContact O-OG1 3.32Å; V40-T44 VanDerWaalsContact O-OG1 3.04Å; W41-T44 PolarHBondContact O-N 3.42Å; T42-T44 VanDerWaalsContact C-N 3.35Å; T42-T44 PolarHBondContact O-N 2.84Å; T44-M47 PolarHBondContact O-N 3.23Å; T44-L48 PolarHBondContact O-N 3.18Å |
| 45 | L | 81.3 | Confident | 83.5 | Confident | 110 Ų | 110 | 54.8 Ų | 54.8 | 58% | 0.576 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.1 | -40.7 | 176.1 | -72.6 | 170 | 0 | 0 | 0 | 112 | W41 T42 M47 L48 L49 | W41-L45 PolarHBondContact O-N 3.45Å; T42-L45 PolarHBondContact O-N 2.95Å; L45-M47 VanDerWaalsContact C-N 3.29Å; L45-M47 PolarHBondContact O-N 3Å; L45-L48 PolarHBondContact O-N 3.07Å; L45-L49 PolarHBondContact O-N 3.5Å |
| 46 | Q | 87.8 | Confident | 84.3 | Confident | 24 Ų | 24 | 54.7 Ų | 54.7 | 11% | 0.112 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.6 | -36.7 | 175.9 | -73.9 | 165.7 | -12.1 | 0 | 0 | 111.5 | T42 S43 L48 L49 I50 G201 S205 | T42-Q46 VanDerWaalsContact O-CB 3.31Å; T42-Q46 WeakPolarHBondContact O-CB 3.42Å; T42-Q46 WeakPolarHBondContact O-CG 3.39Å; T42-Q46 PolarHBondContact O-N 2.97Å; T42-Q46 PolarHBondContact O-OE1 3.21Å; S43-Q46 PolarHBondContact O-N 3.46Å; Q46-L48 VanDerWaalsContact C-N 3.32Å; Q46-L48 PolarHBondContact O-N 3.18Å; Q46-L49 PolarHBondContact O-N 3.29Å; Q46-I50 WeakPolarHBondContact O-CD1 3.13Å; Q46-I50 WeakPolarHBondContact O-CG1 3.39Å; Q46-I50 PolarHBondContact O-N 2.82Å; Q46-G201 PolarHBondContact OE1-O 2.89Å; Q46-S205 VanDerWaalsContact OE1-CB 3.29Å |
| 47 | M | 86.5 | Confident | 85.2 | Confident | 77 Ų | 77 | 52.9 Ų | 52.9 | 38% | 0.379 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 177.9 | -160.5 | 64.8 | -159 | 0 | 0 | 112.7 | S43 T44 L45 I50 V51 C144 | S43-M47 WeakPolarHBondContact O-CB 3.27Å; S43-M47 PolarHBondContact O-N 3.26Å; T44-M47 PolarHBondContact O-N 3.23Å; L45-M47 VanDerWaalsContact C-N 3.29Å; L45-M47 PolarHBondContact O-N 3Å; M47-I50 PolarHBondContact O-N 2.98Å; M47-I50 HydrophobicContact SD-CD1 4.09Å; M47-V51 HydrophobicContact CE-CG2 3.95Å; M47-V51 WeakPolarHBondContact O-CG2 3.13Å; M47-V51 PolarHBondContact O-N 3.04Å; M47-C144 VanDerWaalsContact CE-SG 3.55Å |
| 48 | L | 86.3 | Confident | 86.1 | Confident | 120 Ų | 120 | 48.1 Ų | 48.1 | 63% | 0.628 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.2 | -44.9 | 173.2 | -74 | 167 | 0 | 0 | 0 | 111.5 | T44 L45 Q46 V51 A52 | T44-L48 PolarHBondContact O-N 3.18Å; L45-L48 PolarHBondContact O-N 3.07Å; Q46-L48 VanDerWaalsContact C-N 3.32Å; Q46-L48 PolarHBondContact O-N 3.18Å; L48-V51 PolarHBondContact O-N 3.33Å; L48-A52 VanDerWaalsContact O-CB 3.23Å; L48-A52 WeakPolarHBondContact O-CB 3.48Å; L48-A52 PolarHBondContact O-N 3.01Å |
| 49 | L | 85.9 | Confident | 86.9 | Confident | 70 Ų | 70 | 51 Ų | 51 | 37% | 0.366 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 177.6 | -71 | 170.4 | 0 | 0 | 0 | 112.7 | L45 Q46 G53 L194 | L45-L49 PolarHBondContact O-N 3.5Å; Q46-L49 PolarHBondContact O-N 3.29Å; L49-G53 PolarHBondContact O-N 3.47Å; L49-L194 HydrophobicContact CD2-CD1 4.16Å |
| 50 | I | 90 | Very high | 87.6 | Confident | 18 Ų | 18 | 51.9 Ų | 51.9 | 9% | 0.092 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.7 | -53.1 | 175.1 | -68.4 | 160.6 | 0 | 0 | 0 | 109.8 | Q46 M47 G53 L54 G198 A202 | Q46-I50 WeakPolarHBondContact O-CD1 3.13Å; Q46-I50 WeakPolarHBondContact O-CG1 3.39Å; Q46-I50 PolarHBondContact O-N 2.82Å; M47-I50 PolarHBondContact O-N 2.98Å; M47-I50 HydrophobicContact SD-CD1 4.09Å; I50-G53 PolarHBondContact O-N 3.39Å; I50-L54 HydrophobicContact CG2-CD1 3.7Å; I50-L54 WeakPolarHBondContact O-CB 3.32Å; I50-L54 WeakPolarHBondContact O-CD1 2.74Å; I50-L54 WeakPolarHBondContact O-CG 2.88Å; I50-L54 PolarHBondContact O-N 2.87Å; I50-G198 WeakPolarHBondContact CG1-O 3.5Å; I50-A202 HydrophobicContact CD1-CB 3.7Å; I50-A202 HydrophobicContact CG1-CB 4.07Å |
| 51 | V | 88.6 | Confident | 88.2 | Confident | 35 Ų | 35 | 49.9 Ų | 49.9 | 21% | 0.212 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | -178.2 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | M47 L48 L54 L55 | M47-V51 HydrophobicContact CE-CG2 3.95Å; M47-V51 WeakPolarHBondContact O-CG2 3.13Å; M47-V51 PolarHBondContact O-N 3.04Å; L48-V51 PolarHBondContact O-N 3.33Å; V51-L54 PolarHBondContact O-N 2.74Å; V51-L55 HydrophobicContact CG1-CD1 3.74Å; V51-L55 HydrophobicContact CG1-CG 4.5Å; V51-L55 WeakPolarHBondContact O-CB 3.38Å; V51-L55 WeakPolarHBondContact O-CG 3.46Å; V51-L55 PolarHBondContact O-N 3.29Å |
| 52 | A | 89.3 | Confident | 88.9 | Confident | 42 Ų | 42 | 42 Ų | 42 | 35% | 0.347 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.5 | -47.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L48 L54 L55 A56 | L48-A52 VanDerWaalsContact O-CB 3.23Å; L48-A52 WeakPolarHBondContact O-CB 3.48Å; L48-A52 PolarHBondContact O-N 3.01Å; A52-L54 PolarHBondContact O-N 3.4Å; A52-L55 PolarHBondContact O-N 2.97Å; A52-A56 VanDerWaalsContact O-CB 3.27Å; A52-A56 WeakPolarHBondContact O-CB 3.32Å; A52-A56 PolarHBondContact O-N 3.02Å |
| 53 | G | 90.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L49 I50 V57 | L49-G53 PolarHBondContact O-N 3.47Å; I50-G53 PolarHBondContact O-N 3.39Å; G53-V57 VanDerWaalsContact O-CG2 3.31Å; G53-V57 WeakPolarHBondContact O-CG2 3.25Å; G53-V57 PolarHBondContact O-N 3.05Å; G53-V57 VanDerWaalsContact O-N 3.08Å |
| 54 | L | 91.2 | Very high | 89.6 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.9 | -42 | 178 | -67.1 | 167 | 0 | 0 | 0 | 112.4 | I50 V51 A52 A56 V57 L58 I147 F148 L151 F195 | I50-L54 HydrophobicContact CG2-CD1 3.7Å; I50-L54 WeakPolarHBondContact O-CB 3.32Å; I50-L54 WeakPolarHBondContact O-CD1 2.74Å; I50-L54 WeakPolarHBondContact O-CG 2.88Å; I50-L54 PolarHBondContact O-N 2.87Å; V51-L54 PolarHBondContact O-N 2.74Å; A52-L54 PolarHBondContact O-N 3.4Å; L54-A56 VanDerWaalsContact C-N 3.34Å; L54-V57 PolarHBondContact O-N 3.07Å; L54-L58 VanDerWaalsContact O-CB 3.24Å; L54-L58 WeakPolarHBondContact O-CB 3.35Å; L54-L58 PolarHBondContact O-N 3.38Å; L54-I147 HydrophobicContact CB-CG2 3.64Å; L54-F148 HydrophobicContact CD1-CD1 4.13Å; L54-F148 HydrophobicContact CD1-CE1 3.29Å; L54-F148 HydrophobicContact CD1-CZ 3.83Å; L54-F148 HydrophobicContact CD2-CD1 4.18Å; L54-F148 HydrophobicContact CD2-CE1 3.81Å; L54-F148 HydrophobicContact CG-CE1 4.2Å; L54-L151 HydrophobicContact CB-CD1 4.35Å; L54-L151 HydrophobicContact CD2-CD1 3.6Å; L54-F195 HydrophobicContact CD2-CE2 4.46Å |
| 55 | L | 92 | Very high | 89.9 | Confident | 70 Ų | 70 | 46.2 Ų | 46.2 | 37% | 0.366 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 175 | -85.4 | 166.9 | 0 | 0 | 0 | 111.6 | V51 A52 L58 I59 I147 | V51-L55 HydrophobicContact CG1-CD1 3.74Å; V51-L55 HydrophobicContact CG1-CG 4.5Å; V51-L55 WeakPolarHBondContact O-CB 3.38Å; V51-L55 WeakPolarHBondContact O-CG 3.46Å; V51-L55 PolarHBondContact O-N 3.29Å; A52-L55 PolarHBondContact O-N 2.97Å; L55-L58 WeakPolarHBondContact O-CB 3Å; L55-L58 PolarHBondContact O-N 3.16Å; L55-I59 WeakPolarHBondContact O-CB 3.34Å; L55-I59 WeakPolarHBondContact O-CD1 3.37Å; L55-I59 VanDerWaalsContact O-CG1 3.23Å; L55-I59 WeakPolarHBondContact O-CG1 3.47Å; L55-I59 PolarHBondContact O-N 3.4Å; L55-I147 HydrophobicContact CD2-CD1 4.09Å; L55-I147 HydrophobicContact CD2-CG1 4.46Å; L55-I147 HydrophobicContact CG-CD1 3.99Å |
| 56 | A | 91.3 | Very high | 90.3 | Very high | 25 Ų | 25 | 43.9 Ų | 43.9 | 21% | 0.207 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A52 L54 L58 I59 S60 L191 L194 | A52-A56 VanDerWaalsContact O-CB 3.27Å; A52-A56 WeakPolarHBondContact O-CB 3.32Å; A52-A56 PolarHBondContact O-N 3.02Å; L54-A56 VanDerWaalsContact C-N 3.34Å; A56-L58 VanDerWaalsContact C-N 3.32Å; A56-L58 PolarHBondContact O-N 3.43Å; A56-I59 PolarHBondContact O-N 3.13Å; A56-S60 WeakPolarHBondContact O-CB 3.41Å; A56-S60 PolarHBondContact O-N 2.89Å; A56-S60 PolarHBondContact O-OG 2.97Å; A56-L191 HydrophobicContact CB-CD1 3.25Å; A56-L194 HydrophobicContact CB-CD2 3.94Å |
| 57 | V | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 175.4 | 177.3 | 0 | 0 | 0 | 0 | 111 | G53 L54 G61 L151 V181 L185 L191 F195 | G53-V57 VanDerWaalsContact O-CG2 3.31Å; G53-V57 WeakPolarHBondContact O-CG2 3.25Å; G53-V57 PolarHBondContact O-N 3.05Å; G53-V57 VanDerWaalsContact O-N 3.08Å; L54-V57 PolarHBondContact O-N 3.07Å; V57-G61 WeakPolarHBondContact O-CA 3.37Å; V57-G61 PolarHBondContact O-N 3.01Å; V57-L151 HydrophobicContact CB-CD2 4.06Å; V57-L151 HydrophobicContact CG1-CD2 3.53Å; V57-V181 HydrophobicContact CG1-CG2 3.9Å; V57-V181 HydrophobicContact CG2-CG2 3.99Å; V57-L185 HydrophobicContact CG1-CD1 3.87Å; V57-L191 HydrophobicContact CG2-CD1 4.09Å; V57-L191 HydrophobicContact CG2-CD2 4.28Å; V57-L191 HydrophobicContact CG2-CG 4.1Å; V57-F195 HydrophobicContact CG2-CB 3.89Å; V57-F195 HydrophobicContact CG2-CD2 3.81Å; V57-F195 HydrophobicContact CG2-CG 4.06Å |
| 58 | L | 93.8 | Very high | 90.7 | Very high | 17 Ų | 17 | 42.8 Ų | 42.8 | 9% | 0.089 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -48.2 | 177.3 | 179.4 | 67.9 | 0 | 0 | 0 | 111.5 | L54 L55 A56 G61 C62 M68 I147 L150 L151 I154 | L54-L58 VanDerWaalsContact O-CB 3.24Å; L54-L58 WeakPolarHBondContact O-CB 3.35Å; L54-L58 PolarHBondContact O-N 3.38Å; L55-L58 WeakPolarHBondContact O-CB 3Å; L55-L58 PolarHBondContact O-N 3.16Å; A56-L58 VanDerWaalsContact C-N 3.32Å; A56-L58 PolarHBondContact O-N 3.43Å; L58-G61 PolarHBondContact O-N 3.5Å; L58-C62 WeakPolarHBondContact O-CB 3.16Å; L58-C62 PolarHBondContact O-N 3.11Å; L58-C62 PolarHBondContact O-SG 3.28Å; L58-M68 HydrophobicContact CD1-CE 4.21Å; L58-I147 HydrophobicContact CD2-CG1 4.21Å; L58-I147 HydrophobicContact CD2-CG2 4.22Å; L58-L150 HydrophobicContact CD1-CB 3.42Å; L58-L150 VanDerWaalsContact CD1-CB 3.42Å; L58-L150 HydrophobicContact CD1-CD1 4.28Å; L58-L150 HydrophobicContact CD1-CG 4.5Å; L58-L150 HydrophobicContact CD2-CD1 4.12Å; L58-L151 HydrophobicContact CB-CD2 4.21Å; L58-L151 HydrophobicContact CB-CG 4.45Å; L58-L151 HydrophobicContact CD1-CD2 4.49Å; L58-L151 HydrophobicContact CD1-CG 4.36Å; L58-I154 HydrophobicContact CD1-CD1 3.79Å |
| 59 | I | 92.4 | Very high | 90.9 | Very high | 96 Ų | 96 | 42.8 Ų | 42.8 | 49% | 0.492 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.7 | -52 | -179.8 | -67.8 | 164.1 | 0 | 0 | 0 | 110.2 | L55 A56 G61 C62 I63 | L55-I59 WeakPolarHBondContact O-CB 3.34Å; L55-I59 WeakPolarHBondContact O-CD1 3.37Å; L55-I59 VanDerWaalsContact O-CG1 3.23Å; L55-I59 WeakPolarHBondContact O-CG1 3.47Å; L55-I59 PolarHBondContact O-N 3.4Å; A56-I59 PolarHBondContact O-N 3.13Å; I59-G61 VanDerWaalsContact C-N 3.27Å; I59-G61 PolarHBondContact O-N 3.28Å; I59-C62 PolarHBondContact O-N 3.01Å; I59-C62 VanDerWaalsContact O-N 3.15Å; I59-I63 HydrophobicContact CG2-CD1 3.91Å; I59-I63 WeakPolarHBondContact O-CG1 3.42Å; I59-I63 PolarHBondContact O-N 3.13Å |
| 60 | S | 92.5 | Very high | 91.2 | Very high | 22 Ų | 22 | 42.1 Ų | 42.1 | 15% | 0.154 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.5 | -35.9 | 179.4 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | A56 N64 Y187 | A56-S60 WeakPolarHBondContact O-CB 3.41Å; A56-S60 PolarHBondContact O-N 2.89Å; A56-S60 PolarHBondContact O-OG 2.97Å; S60-N64 WeakPolarHBondContact O-CB 3.4Å; S60-N64 PolarHBondContact O-N 3.47Å; S60-Y187 PolarHBondContact O-OH 3.43Å |
| 61 | G | 92.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68 | -38.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | V57 L58 I59 N64 A65 | V57-G61 WeakPolarHBondContact O-CA 3.37Å; V57-G61 PolarHBondContact O-N 3.01Å; L58-G61 PolarHBondContact O-N 3.5Å; I59-G61 VanDerWaalsContact C-N 3.27Å; I59-G61 PolarHBondContact O-N 3.28Å; G61-N64 PolarHBondContact O-N 3.26Å; G61-A65 VanDerWaalsContact O-CB 3.32Å; G61-A65 WeakPolarHBondContact O-CB 3.39Å; G61-A65 PolarHBondContact O-N 3Å |
| 62 | C | 93.2 | Very high | 91.6 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 13% | 0.128 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 174.4 | -71.8 | 0 | 0 | 0 | 0 | 112.1 | L58 I59 A65 G66 G67 M68 | L58-C62 WeakPolarHBondContact O-CB 3.16Å; L58-C62 PolarHBondContact O-N 3.11Å; L58-C62 PolarHBondContact O-SG 3.28Å; I59-C62 PolarHBondContact O-N 3.01Å; I59-C62 VanDerWaalsContact O-N 3.15Å; C62-A65 PolarHBondContact O-N 3.12Å; C62-G66 PolarHBondContact O-N 3.05Å; C62-G67 PolarHBondContact O-N 2.73Å; C62-M68 WeakPolarHBondContact SG-CE 3.3Å |
| 63 | I | 91.3 | Very high | 91.7 | Very high | 120 Ų | 120 | 45.6 Ų | 45.6 | 62% | 0.615 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.2 | -47 | 177.6 | -66 | 167.8 | 0 | 0 | 0 | 110 | I59 A65 G66 | I59-I63 HydrophobicContact CG2-CD1 3.91Å; I59-I63 WeakPolarHBondContact O-CG1 3.42Å; I59-I63 PolarHBondContact O-N 3.13Å; I63-A65 VanDerWaalsContact C-N 3.26Å; I63-A65 PolarHBondContact O-N 3.3Å; I63-G66 PolarHBondContact O-N 2.87Å; I63-G66 VanDerWaalsContact O-N 3.08Å |
| 64 | N | 90 | Very high | 91.6 | Very high | 80 Ų | 80 | 49.3 Ų | 49.3 | 43% | 0.428 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64 | -31.6 | 179.5 | -165.6 | 28.6 | 0 | 0 | 0 | 112.9 | S60 G61 G66 L185 | S60-N64 WeakPolarHBondContact O-CB 3.4Å; S60-N64 PolarHBondContact O-N 3.47Å; G61-N64 PolarHBondContact O-N 3.26Å; N64-G66 VanDerWaalsContact C-N 3.27Å; N64-G66 PolarHBondContact O-N 2.68Å; N64-L185 HydrophobicContact CB-CD2 4.47Å |
| 65 | A | 88.6 | Confident | 91.5 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -4.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | G61 C62 I63 V71 | G61-A65 VanDerWaalsContact O-CB 3.32Å; G61-A65 WeakPolarHBondContact O-CB 3.39Å; G61-A65 PolarHBondContact O-N 3Å; C62-A65 PolarHBondContact O-N 3.12Å; I63-A65 VanDerWaalsContact C-N 3.26Å; I63-A65 PolarHBondContact O-N 3.3Å; A65-V71 HydrophobicContact CB-CG2 3.29Å |
| 66 | G | 88.5 | Confident | 91.3 | Very high | 60 Ų | 60 | 48.9 Ų | 48.9 | 62% | 0.619 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | 12.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | C62 I63 N64 | C62-G66 PolarHBondContact O-N 3.05Å; I63-G66 PolarHBondContact O-N 2.87Å; I63-G66 VanDerWaalsContact O-N 3.08Å; N64-G66 VanDerWaalsContact C-N 3.27Å; N64-G66 PolarHBondContact O-N 2.68Å |
| 67 | G | 90.1 | Very high | 91 | Very high | 17 Ų | 17 | 51.3 Ų | 51.3 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | trans | 128.7 | 155.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C62 D69 V70 V71 | C62-G67 PolarHBondContact O-N 2.73Å; G67-D69 VanDerWaalsContact C-N 3.3Å; G67-D69 PolarHBondContact O-N 3.46Å; G67-V70 PolarHBondContact O-N 2.85Å; G67-V71 PolarHBondContact O-N 3.31Å | ||
| 68 | M | 92.9 | Very high | 90.6 | Very high | 61 Ų | 61 | 51.4 Ų | 51.4 | 30% | 0.3 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.7 | -31.6 | 180 | -178 | 60.1 | 84 | 0 | 0 | 112.2 | L58 C62 V71 W72 L150 | L58-M68 HydrophobicContact CD1-CE 4.21Å; C62-M68 WeakPolarHBondContact SG-CE 3.3Å; M68-V71 PolarHBondContact O-N 2.78Å; M68-V71 HydrophobicContact SD-CB 4.43Å; M68-W72 VanDerWaalsContact O-CB 3.3Å; M68-W72 WeakPolarHBondContact O-CB 3.49Å; M68-W72 PolarHBondContact O-N 2.84Å; M68-L150 HydrophobicContact CE-CB 4.26Å; M68-L150 HydrophobicContact CE-CD1 3.91Å; M68-L150 HydrophobicContact CE-CD2 3.88Å; M68-L150 HydrophobicContact CE-CG 4.23Å; M68-L150 HydrophobicContact SD-CD2 3.88Å |
| 69 | D | 91.8 | Very high | 90.1 | Very high | 120 Ų | 120 | 52.9 Ų | 52.9 | 64% | 0.642 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.5 | -40.4 | 175.3 | 45.2 | -57.4 | 0 | 0 | 0 | 112.3 | G67 W72 S73 | G67-D69 VanDerWaalsContact C-N 3.3Å; G67-D69 PolarHBondContact O-N 3.46Å; D69-W72 PolarHBondContact O-N 2.99Å; D69-S73 WeakPolarHBondContact O-CB 3.43Å; D69-S73 PolarHBondContact O-N 3.42Å; D69-S73 PolarHBondContact O-OG 3.23Å |
| 70 | V | 92.1 | Very high | 89.8 | Confident | 56 Ų | 56 | 50.6 Ų | 50.6 | 34% | 0.339 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 173.8 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | G67 S73 K74 | G67-V70 PolarHBondContact O-N 2.85Å; V70-S73 PolarHBondContact O-OG 2.67Å; V70-K74 WeakPolarHBondContact O-CB 3.49Å; V70-K74 PolarHBondContact O-N 2.77Å; V70-K74 VanDerWaalsContact O-N 3.17Å |
| 71 | V | 93.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 176.3 | 175.4 | 0 | 0 | 0 | 0 | 111 | A65 G67 M68 G75 L153 I154 | A65-V71 HydrophobicContact CB-CG2 3.29Å; G67-V71 PolarHBondContact O-N 3.31Å; M68-V71 PolarHBondContact O-N 2.78Å; M68-V71 HydrophobicContact SD-CB 4.43Å; V71-G75 PolarHBondContact O-N 3.21Å; V71-L153 HydrophobicContact CG1-CB 3.64Å; V71-I154 HydrophobicContact CG1-CG1 3.99Å; V71-I154 HydrophobicContact CG2-CG1 4.25Å |
| 72 | W | 93.4 | Very high | 89 | Confident | 101 Ų | 101 | 54.2 Ų | 54.2 | 38% | 0.383 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65 | -48.5 | -178.4 | -169.7 | -91.2 | 0 | 0 | 0 | 112.1 | M68 D69 K74 G75 V76 V81 F83 F149 L150 L153 | M68-W72 VanDerWaalsContact O-CB 3.3Å; M68-W72 WeakPolarHBondContact O-CB 3.49Å; M68-W72 PolarHBondContact O-N 2.84Å; D69-W72 PolarHBondContact O-N 2.99Å; W72-K74 VanDerWaalsContact C-N 3.35Å; W72-K74 PolarHBondContact O-N 2.66Å; W72-G75 WeakPolarHBondContact O-CA 3.36Å; W72-G75 PolarHBondContact O-N 3.25Å; W72-G75 VanDerWaalsContact O-N 3.13Å; W72-V76 WeakPolarHBondContact O-CG2 3.44Å; W72-V76 PolarHBondContact O-N 3.34Å; W72-V81 HydrophobicContact CD2-CG2 4.49Å; W72-V81 HydrophobicContact CH2-CG1 3.91Å; W72-V81 HydrophobicContact CZ2-CG1 3.47Å; W72-V81 VanDerWaalsContact CZ2-CG1 3.47Å; W72-F83 HydrophobicContact CH2-CE2 4.09Å; W72-F83 HydrophobicContact CH2-CZ 4.04Å; W72-F83 HydrophobicContact CZ2-CE2 4.19Å; W72-F149 HydrophobicContact CH2-CE1 4.2Å; W72-F149 AromaticContact CZ3-CE1 3.86Å; W72-F149 HydrophobicContact CZ3-CE1 3.86Å; W72-L150 HydrophobicContact CE3-CD2 4.48Å; W72-L150 HydrophobicContact CZ3-CD2 4.28Å; W72-L153 HydrophobicContact CE3-CD1 3.88Å; W72-L153 HydrophobicContact CZ3-CD1 4.15Å |
| 73 | S | 91.3 | Very high | 88.3 | Confident | 67 Ų | 67 | 59.9 Ų | 59.9 | 47% | 0.469 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 179.3 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | D69 V70 G75 V76 A77 | D69-S73 WeakPolarHBondContact O-CB 3.43Å; D69-S73 PolarHBondContact O-N 3.42Å; D69-S73 PolarHBondContact O-OG 3.23Å; V70-S73 PolarHBondContact O-OG 2.67Å; S73-G75 VanDerWaalsContact C-N 3.34Å; S73-G75 PolarHBondContact O-N 3.42Å; S73-V76 PolarHBondContact O-N 2.9Å; S73-A77 PolarHBondContact O-N 2.62Å |
| 74 | K | 87.7 | Confident | 87.7 | Confident | 80 Ų | 80 | 57.9 Ų | 57.9 | 35% | 0.348 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.5 | -36 | 175.1 | -149.9 | 174 | -175.1 | -173.4 | 0 | 112 | V70 W72 A77 G78 H157 | V70-K74 WeakPolarHBondContact O-CB 3.49Å; V70-K74 PolarHBondContact O-N 2.77Å; V70-K74 VanDerWaalsContact O-N 3.17Å; W72-K74 VanDerWaalsContact C-N 3.35Å; W72-K74 PolarHBondContact O-N 2.66Å; K74-A77 PolarHBondContact O-N 3.28Å; K74-G78 PolarHBondContact O-N 2.87Å; K74-H157 HydrophobicContact CD-CB 4.28Å; K74-H157 WeakPolarHBondContact CD-ND1 3.4Å; K74-H157 PolarHBondContact NZ-O 3.43Å |
| 75 | G | 89.5 | Confident | 87.2 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V71 W72 S73 L79 R80 V81 | V71-G75 PolarHBondContact O-N 3.21Å; W72-G75 WeakPolarHBondContact O-CA 3.36Å; W72-G75 PolarHBondContact O-N 3.25Å; W72-G75 VanDerWaalsContact O-N 3.13Å; S73-G75 VanDerWaalsContact C-N 3.34Å; S73-G75 PolarHBondContact O-N 3.42Å; G75-L79 PolarHBondContact O-N 3.41Å; G75-R80 PolarHBondContact O-N 2.93Å; G75-V81 PolarHBondContact O-N 3.4Å |
| 76 | V | 88.3 | Confident | 87 | Confident | 73 Ų | 73 | 59.3 Ų | 59.3 | 44% | 0.442 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.5 | -49.3 | 173.1 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | W72 S73 G78 L79 V81 | W72-V76 WeakPolarHBondContact O-CG2 3.44Å; W72-V76 PolarHBondContact O-N 3.34Å; S73-V76 PolarHBondContact O-N 2.9Å; V76-G78 PolarHBondContact O-N 3.25Å; V76-L79 PolarHBondContact O-N 3.5Å; V76-V81 HydrophobicContact CG2-CB 3.84Å; V76-V81 HydrophobicContact CG2-CG1 4.18Å; V76-V81 HydrophobicContact CG2-CG2 4.18Å |
| 77 | A | 85 | Confident | 86.8 | Confident | 77 Ų | 77 | 59.3 Ų | 59.3 | 64% | 0.636 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.8 | -36.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S73 K74 L79 | S73-A77 PolarHBondContact O-N 2.62Å; K74-A77 PolarHBondContact O-N 3.28Å; A77-L79 VanDerWaalsContact C-N 3.25Å; A77-L79 PolarHBondContact O-N 3.31Å |
| 78 | G | 84.5 | Confident | 86.6 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 9.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | K74 V76 R80 Y156 | K74-G78 PolarHBondContact O-N 2.87Å; V76-G78 PolarHBondContact O-N 3.25Å; G78-R80 WeakPolarHBondContact O-CD 3.36Å; G78-R80 PolarHBondContact O-N 2.71Å; G78-R80 PolarHBondContact O-NH1 3.21Å; G78-Y156 VanDerWaalsContact CA-OH 3.25Å; G78-Y156 WeakPolarHBondContact CA-OH 3.32Å |
| 79 | L | 83.6 | Confident | 86.2 | Confident | 47 Ų | 47 | 62.3 Ų | 62.3 | 25% | 0.246 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 25.2 | -177.5 | -55.1 | 171.2 | 0 | 0 | 0 | 114.5 | G75 V76 A77 I347 | G75-L79 PolarHBondContact O-N 3.41Å; V76-L79 PolarHBondContact O-N 3.5Å; A77-L79 VanDerWaalsContact C-N 3.25Å; A77-L79 PolarHBondContact O-N 3.31Å; L79-I347 HydrophobicContact CD1-CG2 4.35Å |
| 80 | R | 86.8 | Confident | 86 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 19% | 0.185 | 32% | 0.323 | C | S | . | . | trans | -93.4 | -25.6 | -179.5 | -56.3 | -43.5 | -167.8 | -118.8 | 5.6 | 113.4 | G75 G78 H82 L153 Y156 L330 P331 | G75-R80 PolarHBondContact O-N 2.93Å; G78-R80 WeakPolarHBondContact O-CD 3.36Å; G78-R80 PolarHBondContact O-N 2.71Å; G78-R80 PolarHBondContact O-NH1 3.21Å; R80-H82 PolarHBondContact O-N 2.81Å; R80-L153 HydrophobicContact CB-CD2 3.92Å; R80-Y156 HydrophobicContact CG-CD1 4Å; R80-Y156 HydrophobicContact CG-CD2 4.37Å; R80-Y156 HydrophobicContact CG-CE1 4.17Å; R80-Y156 HydrophobicContact CG-CG 4.1Å; R80-L330 VanDerWaalsContact NH2-C 3.32Å; R80-L330 PolarHBondContact NH2-O 3.25Å; R80-P331 PolarHBondContact NH2-O 3.47Å | ||
| 81 | V | 87.1 | Confident | 85.7 | Confident | 20 Ų | 20 | 60.3 Ų | 60.3 | 12% | 0.121 | 32% | 0.321 | C | S | . | . | trans | -96.2 | 82.5 | 173.8 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | W72 G75 V76 F83 F149 L153 | W72-V81 HydrophobicContact CD2-CG2 4.49Å; W72-V81 HydrophobicContact CH2-CG1 3.91Å; W72-V81 HydrophobicContact CZ2-CG1 3.47Å; W72-V81 VanDerWaalsContact CZ2-CG1 3.47Å; G75-V81 PolarHBondContact O-N 3.4Å; V76-V81 HydrophobicContact CG2-CB 3.84Å; V76-V81 HydrophobicContact CG2-CG1 4.18Å; V76-V81 HydrophobicContact CG2-CG2 4.18Å; V81-F83 HydrophobicContact CG1-CD2 4.28Å; V81-F83 HydrophobicContact CG1-CE2 3.53Å; V81-F83 HydrophobicContact CG1-CZ 4Å; V81-F149 HydrophobicContact CG2-CZ 4.3Å; V81-L153 HydrophobicContact CG2-CD1 3.89Å; V81-L153 HydrophobicContact CG2-CD2 3.83Å | ||
| 82 | H | 79 | Confident | 85.3 | Confident | 78 Ų | 78 | 60.3 Ų | 60.3 | 36% | 0.361 | 32% | 0.321 | S | S | . | . | trans | -136.8 | 91.2 | -179.1 | -152 | -80.2 | 0 | 0 | 0 | 110.8 | R80 R354 | R80-H82 PolarHBondContact O-N 2.81Å; H82-R354 PolarHBondContact CD2-NH1 3.45Å; H82-R354 PolarHBondContact NE2-NH1 3.06Å | ||
| 83 | F | 78.9 | Confident | 84.8 | Confident | 138 Ų | 138 | 57.9 Ų | 57.9 | 61% | 0.605 | 31% | 0.312 | S | S | * | . | trans | -82.6 | -16.2 | -176.4 | -58.6 | -67 | 0 | 0 | 0 | 113.7 | W72 V81 F149 | W72-F83 HydrophobicContact CH2-CE2 4.09Å; W72-F83 HydrophobicContact CH2-CZ 4.04Å; W72-F83 HydrophobicContact CZ2-CE2 4.19Å; V81-F83 HydrophobicContact CG1-CD2 4.28Å; V81-F83 HydrophobicContact CG1-CE2 3.53Å; V81-F83 HydrophobicContact CG1-CZ 4Å; F83-F149 HydrophobicContact CE1-CE2 4.42Å; F83-F149 HydrophobicContact CE1-CZ 4.07Å; F83-F149 HydrophobicContact CZ-CE1 4.1Å; F83-F149 AromaticContact CZ-CZ 3.88Å; F83-F149 HydrophobicContact CZ-CZ 3.88Å | ||
| 84 | S | 78.4 | Confident | 84.5 | Confident | 77 Ų | 77 | 57.5 Ų | 57.5 | 54% | 0.538 | 30% | 0.302 | S | S | . | . | trans | -102.1 | 35.6 | -166.4 | 44.7 | 0 | 0 | 0 | 0 | 114.2 | I86 | S84-I86 WeakPolarHBondContact O-CG1 3.39Å; S84-I86 PolarHBondContact O-N 3.28Å | ||
| 85 | D | 80 | Confident | 84.6 | Confident | 19 Ų | 19 | 53.9 Ų | 53.9 | 10% | 0.102 | 29% | 0.287 | C | S | . | . | trans | -80 | 84.5 | 170.7 | -168 | -11.3 | 0 | 0 | 0 | 110.5 | R87 S95 V96 N355 | D85-R87 VanDerWaalsContact C-N 3.29Å; D85-R87 PolarHBondContact O-N 2.92Å; D85-R87 WeakPolarHBondContact OD1-CG 3.29Å; D85-R87 IonicContact OD1-CZ 3.51Å; D85-R87 IonicContact OD1-NE 3.68Å; D85-R87 PolarHBondContact OD1-NE 3.48Å; D85-R87 IonicContact OD1-NH2 3.42Å; D85-R87 PolarHBondContact OD1-NH2 3.47Å; D85-R87 IonicContact OD2-CZ 3.54Å; D85-R87 IonicContact OD2-NE 2.62Å; D85-R87 IonicContact OD2-NH2 2.69Å; D85-R87 PolarHBondContact OD2-NH2 3.07Å; D85-S95 CarbonylContact O-C 3.45Å; D85-S95 WeakPolarHBondContact O-CA 3.26Å; D85-S95 WeakPolarHBondContact O-CB 3.27Å; D85-V96 PolarHBondContact O-N 3.5Å; D85-N355 PolarHBondContact OD2-ND2 2.91Å | ||
| 86 | I | 85 | Confident | 84.6 | Confident | 102 Ų | 102 | 56.4 Ų | 56.4 | 52% | 0.523 | 30% | 0.303 | S | S | . | . | trans | -91.5 | 14.3 | -174.1 | -39.6 | 175.8 | 0 | 0 | 0 | 111.7 | S84 P88 V96 W97 | S84-I86 WeakPolarHBondContact O-CG1 3.39Å; S84-I86 PolarHBondContact O-N 3.28Å; I86-P88 WeakPolarHBondContact O-CD 3.33Å; I86-V96 HydrophobicContact CG1-CG2 4.27Å; I86-W97 HydrophobicContact CG2-CZ2 4.28Å; I86-W97 PolarHBondContact O-NE1 3.27Å | ||
| 87 | R | 84.8 | Confident | 84.7 | Confident | 61 Ų | 61 | 57.9 Ų | 57.9 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | trans | -62.9 | 125.8 | -178.7 | -69.1 | 177.2 | -64.3 | 173 | 4.3 | 110.4 | D85 D89 V92 S95 E351 W352 R354 | D85-R87 VanDerWaalsContact C-N 3.29Å; D85-R87 PolarHBondContact O-N 2.92Å; D85-R87 WeakPolarHBondContact OD1-CG 3.29Å; D85-R87 IonicContact OD1-CZ 3.51Å; D85-R87 IonicContact OD1-NE 3.68Å; D85-R87 PolarHBondContact OD1-NE 3.48Å; D85-R87 IonicContact OD1-NH2 3.42Å; D85-R87 PolarHBondContact OD1-NH2 3.47Å; D85-R87 IonicContact OD2-CZ 3.54Å; D85-R87 IonicContact OD2-NE 2.62Å; D85-R87 IonicContact OD2-NH2 2.69Å; D85-R87 PolarHBondContact OD2-NH2 3.07Å; R87-D89 PolarHBondContact O-N 2.8Å; R87-V92 HydrophobicContact CB-CG2 4.4Å; R87-S95 PolarHBondContact O-OG 2.95Å; R87-E351 PolarHBondContact NH1-O 3.38Å; R87-W352 PolarHBondContact NH1-O 2.96Å; R87-R354 PolarHBondContact NH2-O 3.14Å | ||
| 88 | P | 84.1 | Confident | 84.9 | Confident | 107 Ų | 107 | 54.2 Ų | 54.2 | 70% | 0.695 | 27% | 0.27 | S | S | * | . | trans | -79.1 | 2.2 | -178.5 | 31.6 | -34.7 | 0 | 0 | 0 | 113.7 | I86 P90 | I86-P88 WeakPolarHBondContact O-CD 3.33Å; P88-P90 WeakPolarHBondContact O-CD 3.41Å | ||
| 89 | D | 85.9 | Confident | 85.1 | Confident | 33 Ų | 33 | 57.7 Ų | 57.7 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | trans | -69.3 | 115.8 | 178.1 | -176 | -1.9 | 0 | 0 | 0 | 110.2 | R87 R91 V92 R356 | R87-D89 PolarHBondContact O-N 2.8Å; D89-R91 PolarHBondContact O-N 3.09Å; D89-R91 VanDerWaalsContact O-N 3.14Å; D89-R91 WeakPolarHBondContact OD1-CB 3.16Å; D89-R91 PolarHBondContact OD1-N 2.97Å; D89-R91 VanDerWaalsContact OD1-N 3.1Å; D89-R91 IonicContact OD1-NE 3.29Å; D89-R91 PolarHBondContact OD1-NE 3.08Å; D89-V92 HydrophobicContact CB-CG2 4.05Å; D89-V92 WeakPolarHBondContact O-CB 3.17Å; D89-V92 WeakPolarHBondContact O-CG2 3.3Å; D89-V92 PolarHBondContact O-N 3.32Å; D89-R356 IonicContact OD2-CZ 3.55Å; D89-R356 IonicContact OD2-NH1 3.52Å; D89-R356 IonicContact OD2-NH2 3.03Å; D89-R356 PolarHBondContact OD2-NH2 3.34Å | ||
| 90 | P | 87.9 | Confident | 85.5 | Confident | 53 Ų | 53 | 59.1 Ų | 59.1 | 34% | 0.344 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -9.4 | -176.6 | 30.7 | -36.8 | 0 | 0 | 0 | 113.3 | P88 V92 L373 S374 Y377 | P88-P90 WeakPolarHBondContact O-CD 3.41Å; P90-V92 VanDerWaalsContact C-N 3.26Å; P90-L373 HydrophobicContact CB-CD2 3.85Å; P90-L373 HydrophobicContact CG-CD2 4.41Å; P90-S374 WeakPolarHBondContact O-CB 3.25Å; P90-S374 PolarHBondContact O-N 3.09Å; P90-Y377 HydrophobicContact CB-CD2 4.03Å; P90-Y377 HydrophobicContact CB-CE2 3.69Å |
| 91 | R | 85.9 | Confident | 85.7 | Confident | 82 Ų | 82 | 60.1 Ų | 60.1 | 31% | 0.309 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -10.8 | 172.7 | -64.8 | 175.5 | -92.1 | -164.8 | -13.6 | 113.1 | D89 R93 N369 E372 | D89-R91 PolarHBondContact O-N 3.09Å; D89-R91 VanDerWaalsContact O-N 3.14Å; D89-R91 WeakPolarHBondContact OD1-CB 3.16Å; D89-R91 PolarHBondContact OD1-N 2.97Å; D89-R91 VanDerWaalsContact OD1-N 3.1Å; D89-R91 IonicContact OD1-NE 3.29Å; D89-R91 PolarHBondContact OD1-NE 3.08Å; R91-R93 PolarHBondContact O-N 3.35Å; R91-N369 PolarHBondContact NH1-OD1 3.32Å; R91-E372 VanDerWaalsContact CA-O 3.31Å; R91-E372 WeakPolarHBondContact CA-O 3.48Å; R91-E372 HydrophobicContact CB-CB 4.23Å; R91-E372 HydrophobicContact CG-CB 3.9Å |
| 92 | V | 84 | Confident | 85.9 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -73.4 | 116.8 | 171.3 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | R87 D89 P90 H94 S98 N355 S374 | R87-V92 HydrophobicContact CB-CG2 4.4Å; D89-V92 HydrophobicContact CB-CG2 4.05Å; D89-V92 WeakPolarHBondContact O-CB 3.17Å; D89-V92 WeakPolarHBondContact O-CG2 3.3Å; D89-V92 PolarHBondContact O-N 3.32Å; P90-V92 VanDerWaalsContact C-N 3.26Å; V92-H94 VanDerWaalsContact C-N 3.28Å; V92-H94 PolarHBondContact O-N 3.4Å; V92-S98 PolarHBondContact O-OG 2.94Å; V92-N355 HydrophobicContact CG1-CB 3.8Å; V92-S374 WeakPolarHBondContact O-CB 3.39Å |
| 93 | R | 82.8 | Confident | 86.4 | Confident | 49 Ų | 49 | 56 Ų | 56 | 19% | 0.185 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -50.3 | -48.8 | -175.9 | -172.5 | -169.9 | -169.3 | -150.1 | 3.9 | 111.6 | R91 S98 N355 S374 Y375 | R91-R93 PolarHBondContact O-N 3.35Å; R93-S98 PolarHBondContact O-OG 2.62Å; R93-N355 WeakPolarHBondContact CB-O 3.48Å; R93-N355 PolarHBondContact N-O 2.57Å; R93-S374 PolarHBondContact O-OG 2.65Å; R93-Y375 HydrophobicContact CG-CE1 3.97Å |
| 94 | H | 86 | Confident | 87.1 | Confident | 59 Ų | 59 | 52.8 Ų | 52.8 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -137 | 101.7 | 178.7 | -61.5 | 135.5 | 0 | 0 | 0 | 109.9 | V92 S98 V99 N355 Y375 | V92-H94 VanDerWaalsContact C-N 3.28Å; V92-H94 PolarHBondContact O-N 3.4Å; H94-S98 WeakPolarHBondContact CA-OG 3.26Å; H94-V99 HydrophobicContact CB-CG2 4.28Å; H94-N355 PolarHBondContact O-ND2 3.45Å; H94-Y375 PolarHBondContact CE1-OH 3.49Å; H94-Y375 AromaticContact NE2-CZ 3.71Å; H94-Y375 PolarHBondContact NE2-OH 3.32Å |
| 95 | S | 88.8 | Confident | 87.8 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | trans | -120.3 | 167.8 | 168 | 68.9 | 0 | 0 | 0 | 0 | 108.5 | D85 R87 W97 S98 V99 | D85-S95 CarbonylContact O-C 3.45Å; D85-S95 WeakPolarHBondContact O-CA 3.26Å; D85-S95 WeakPolarHBondContact O-CB 3.27Å; R87-S95 PolarHBondContact O-OG 2.95Å; S95-W97 PolarHBondContact O-N 3.29Å; S95-W97 PolarHBondContact OG-N 3.29Å; S95-S98 PolarHBondContact N-OG 3.45Å; S95-S98 PolarHBondContact O-N 3.08Å; S95-S98 PolarHBondContact O-OG 3.18Å; S95-S98 PolarHBondContact OG-N 3.33Å; S95-S98 VanDerWaalsContact OG-N 3.15Å; S95-V99 WeakPolarHBondContact O-CB 3.26Å; S95-V99 WeakPolarHBondContact O-CG2 3.32Å; S95-V99 PolarHBondContact O-N 3.36Å | ||
| 96 | V | 89.8 | Confident | 88.2 | Confident | 55 Ų | 55 | 51 Ų | 51 | 33% | 0.333 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -49.9 | -47.5 | 173.3 | 173.6 | 0 | 0 | 0 | 0 | 109.5 | D85 I86 T100 | D85-V96 PolarHBondContact O-N 3.5Å; I86-V96 HydrophobicContact CG1-CG2 4.27Å; V96-T100 HydrophobicContact CG1-CG2 4.49Å; V96-T100 WeakPolarHBondContact O-CB 3.31Å; V96-T100 PolarHBondContact O-N 3.01Å; V96-T100 PolarHBondContact O-OG1 3.01Å |
| 97 | W | 90.1 | Very high | 88.4 | Confident | 104 Ų | 104 | 50.6 Ų | 50.6 | 39% | 0.394 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.2 | -44.1 | -179.3 | -57 | 109.1 | 0 | 0 | 0 | 114.2 | I86 S95 V99 I101 Y377 | I86-W97 HydrophobicContact CG2-CZ2 4.28Å; I86-W97 PolarHBondContact O-NE1 3.27Å; S95-W97 PolarHBondContact O-N 3.29Å; S95-W97 PolarHBondContact OG-N 3.29Å; W97-V99 VanDerWaalsContact C-N 3.3Å; W97-V99 PolarHBondContact O-N 2.97Å; W97-I101 HydrophobicContact CE3-CD1 3.94Å; W97-I101 WeakPolarHBondContact O-CB 3.17Å; W97-I101 PolarHBondContact O-N 3.35Å; W97-Y377 VanDerWaalsContact C-OH 3.31Å; W97-Y377 PolarHBondContact O-OH 3.35Å |
| 98 | S | 90 | Very high | 88.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -69.4 | -33.6 | -178 | 71.2 | 0 | 0 | 0 | 0 | 111.8 | V92 R93 H94 S95 G102 G103 Q376 Y377 | V92-S98 PolarHBondContact O-OG 2.94Å; R93-S98 PolarHBondContact O-OG 2.62Å; H94-S98 WeakPolarHBondContact CA-OG 3.26Å; S95-S98 PolarHBondContact N-OG 3.45Å; S95-S98 PolarHBondContact O-N 3.08Å; S95-S98 PolarHBondContact O-OG 3.18Å; S95-S98 PolarHBondContact OG-N 3.33Å; S95-S98 VanDerWaalsContact OG-N 3.15Å; S98-G102 CarbonylContact O-C 3.59Å; S98-G102 WeakPolarHBondContact O-CA 3.35Å; S98-G102 PolarHBondContact O-N 2.92Å; S98-G102 VanDerWaalsContact O-N 3.08Å; S98-G103 PolarHBondContact O-N 3.35Å; S98-Q376 WeakPolarHBondContact O-CB 3.46Å; S98-Y377 VanDerWaalsContact CA-CZ 3.48Å; S98-Y377 VanDerWaalsContact CA-OH 3.27Å; S98-Y377 WeakPolarHBondContact CA-OH 3.47Å; S98-Y377 VanDerWaalsContact CB-CE2 3.41Å; S98-Y377 PolarHBondContact N-OH 3.22Å |
| 99 | V | 89.1 | Confident | 89 | Confident | 75 Ų | 75 | 45.9 Ų | 45.9 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -79.2 | -45.8 | 177.3 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | H94 S95 W97 G103 | H94-V99 HydrophobicContact CB-CG2 4.28Å; S95-V99 WeakPolarHBondContact O-CB 3.26Å; S95-V99 WeakPolarHBondContact O-CG2 3.32Å; S95-V99 PolarHBondContact O-N 3.36Å; W97-V99 VanDerWaalsContact C-N 3.3Å; W97-V99 PolarHBondContact O-N 2.97Å; V99-G103 WeakPolarHBondContact O-CA 3.37Å; V99-G103 PolarHBondContact O-N 2.95Å; V99-G103 VanDerWaalsContact O-N 3.09Å |
| 100 | T | 90.9 | Very high | 89 | Confident | 76 Ų | 76 | 46.6 Ų | 46.6 | 47% | 0.466 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -72.3 | -43.3 | -179.6 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | V96 T104 | V96-T100 HydrophobicContact CG1-CG2 4.49Å; V96-T100 WeakPolarHBondContact O-CB 3.31Å; V96-T100 PolarHBondContact O-N 3.01Å; V96-T100 PolarHBondContact O-OG1 3.01Å; T100-T104 WeakPolarHBondContact O-CB 3.45Å; T100-T104 PolarHBondContact O-N 2.91Å; T100-T104 PolarHBondContact O-OG1 2.86Å |
| 101 | I | 92.2 | Very high | 88.9 | Confident | 71 Ų | 71 | 46.8 Ų | 46.8 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -85.2 | -59.9 | -178.3 | -57.7 | 178.6 | 0 | 0 | 0 | 110.1 | W97 G103 T104 F105 Y377 L380 | W97-I101 HydrophobicContact CE3-CD1 3.94Å; W97-I101 WeakPolarHBondContact O-CB 3.17Å; W97-I101 PolarHBondContact O-N 3.35Å; I101-G103 PolarHBondContact O-N 3.45Å; I101-T104 PolarHBondContact O-N 3.21Å; I101-F105 WeakPolarHBondContact O-CD2 3.45Å; I101-F105 PolarHBondContact O-N 3.2Å; I101-Y377 HydrophobicContact CB-CE1 4.45Å; I101-L380 HydrophobicContact CG2-CD2 3.96Å |
| 102 | G | 89.9 | Confident | 89 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -62.3 | -45.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | S98 T104 F105 T106 Q376 | S98-G102 CarbonylContact O-C 3.59Å; S98-G102 WeakPolarHBondContact O-CA 3.35Å; S98-G102 PolarHBondContact O-N 2.92Å; S98-G102 VanDerWaalsContact O-N 3.08Å; G102-T104 VanDerWaalsContact C-N 3.31Å; G102-T104 PolarHBondContact O-N 3.38Å; G102-F105 PolarHBondContact O-N 3.29Å; G102-T106 PolarHBondContact O-N 3.25Å; G102-T106 PolarHBondContact O-OG1 3.13Å; G102-Q376 CarbonylContact C-O 3.47Å; G102-Q376 WeakPolarHBondContact CA-O 3.27Å |
| 103 | G | 89.7 | Confident | 89.3 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.9 | -32.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S98 V99 I101 T106 I107 Q376 | S98-G103 PolarHBondContact O-N 3.35Å; V99-G103 WeakPolarHBondContact O-CA 3.37Å; V99-G103 PolarHBondContact O-N 2.95Å; V99-G103 VanDerWaalsContact O-N 3.09Å; I101-G103 PolarHBondContact O-N 3.45Å; G103-T106 PolarHBondContact O-N 2.93Å; G103-I107 WeakPolarHBondContact O-CB 3.3Å; G103-I107 WeakPolarHBondContact O-CG1 3.48Å; G103-I107 PolarHBondContact O-N 3.43Å; G103-Q376 VanDerWaalsContact CA-OE1 3.31Å |
| 104 | T | 93.2 | Very high | 89.4 | Confident | 71 Ų | 71 | 46.1 Ų | 46.1 | 44% | 0.436 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.5 | -48.1 | 173.4 | -71.5 | 0 | 0 | 0 | 0 | 111.3 | T100 I101 G102 T106 I107 L108 | T100-T104 WeakPolarHBondContact O-CB 3.45Å; T100-T104 PolarHBondContact O-N 2.91Å; T100-T104 PolarHBondContact O-OG1 2.86Å; I101-T104 PolarHBondContact O-N 3.21Å; G102-T104 VanDerWaalsContact C-N 3.31Å; G102-T104 PolarHBondContact O-N 3.38Å; T104-T106 VanDerWaalsContact C-N 3.33Å; T104-T106 PolarHBondContact O-N 3.34Å; T104-I107 PolarHBondContact O-N 3.44Å; T104-L108 HydrophobicContact CG2-CD1 3.86Å; T104-L108 WeakPolarHBondContact O-CB 3.41Å; T104-L108 PolarHBondContact O-N 3.44Å |
| 105 | F | 93.7 | Very high | 89.5 | Confident | 52 Ų | 52 | 46 Ų | 46 | 23% | 0.228 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.9 | -33.1 | 178.5 | -79.5 | -92.1 | 0 | 0 | 0 | 112.5 | I101 G102 L108 T109 L285 L380 V383 | I101-F105 WeakPolarHBondContact O-CD2 3.45Å; I101-F105 PolarHBondContact O-N 3.2Å; G102-F105 PolarHBondContact O-N 3.29Å; F105-L108 PolarHBondContact O-N 2.93Å; F105-T109 WeakPolarHBondContact O-CB 3.34Å; F105-T109 PolarHBondContact O-N 2.95Å; F105-T109 PolarHBondContact O-OG1 3.05Å; F105-L285 HydrophobicContact CD1-CD2 4.35Å; F105-L380 HydrophobicContact CB-CB 4.21Å; F105-L380 HydrophobicContact CD1-CD1 4.18Å; F105-L380 HydrophobicContact CD2-CB 4.28Å; F105-L380 HydrophobicContact CD2-CD1 3.7Å; F105-L380 HydrophobicContact CD2-CG 4.48Å; F105-L380 HydrophobicContact CE1-CD1 4.06Å; F105-L380 HydrophobicContact CE2-CD1 3.58Å; F105-L380 HydrophobicContact CG-CB 4.17Å; F105-L380 HydrophobicContact CG-CD1 3.99Å; F105-L380 HydrophobicContact CZ-CD1 3.76Å; F105-V383 HydrophobicContact CD1-CB 4.37Å; F105-V383 HydrophobicContact CD1-CG1 4.37Å; F105-V383 HydrophobicContact CD1-CG2 4.11Å; F105-V383 HydrophobicContact CE1-CG1 4.07Å |
| 106 | T | 89.5 | Confident | 89.3 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 173.6 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | G102 G103 T104 T109 L110 L274 Q376 | G102-T106 PolarHBondContact O-N 3.25Å; G102-T106 PolarHBondContact O-OG1 3.13Å; G103-T106 PolarHBondContact O-N 2.93Å; T104-T106 VanDerWaalsContact C-N 3.33Å; T104-T106 PolarHBondContact O-N 3.34Å; T106-T109 WeakPolarHBondContact O-CB 3.47Å; T106-T109 PolarHBondContact O-N 3.19Å; T106-L110 HydrophobicContact CG2-CD1 4.46Å; T106-L110 PolarHBondContact O-N 3.06Å; T106-L110 VanDerWaalsContact O-N 3.17Å; T106-L274 HydrophobicContact CG2-CD2 4.26Å; T106-Q376 PolarHBondContact OG1-O 3.44Å |
| 107 | I | 89.2 | Confident | 88.9 | Confident | 95 Ų | 95 | 45.7 Ų | 45.7 | 49% | 0.487 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 174.8 | -75.9 | -78.1 | 0 | 0 | 0 | 111.2 | G103 T104 T109 L110 F111 | G103-I107 WeakPolarHBondContact O-CB 3.3Å; G103-I107 WeakPolarHBondContact O-CG1 3.48Å; G103-I107 PolarHBondContact O-N 3.43Å; T104-I107 PolarHBondContact O-N 3.44Å; I107-T109 VanDerWaalsContact C-N 3.25Å; I107-T109 PolarHBondContact O-N 2.73Å; I107-L110 PolarHBondContact O-N 3.25Å; I107-F111 HydrophobicContact CD1-CE2 4.09Å; I107-F111 HydrophobicContact CG2-CD2 3.83Å; I107-F111 HydrophobicContact CG2-CE2 4.2Å; I107-F111 WeakPolarHBondContact O-CD2 3.43Å; I107-F111 PolarHBondContact O-N 2.93Å |
| 108 | L | 91.3 | Very high | 88.8 | Confident | 64 Ų | 64 | 41.9 Ų | 41.9 | 34% | 0.335 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -54.6 | -47.8 | 176.4 | -118.9 | 125.2 | 0 | 0 | 0 | 110 | T104 F105 L110 F111 T112 L285 | T104-L108 HydrophobicContact CG2-CD1 3.86Å; T104-L108 WeakPolarHBondContact O-CB 3.41Å; T104-L108 PolarHBondContact O-N 3.44Å; F105-L108 PolarHBondContact O-N 2.93Å; L108-L110 VanDerWaalsContact C-N 3.3Å; L108-L110 PolarHBondContact O-N 3.13Å; L108-F111 PolarHBondContact O-N 2.91Å; L108-F111 VanDerWaalsContact O-N 3.15Å; L108-T112 HydrophobicContact CD2-CG2 3.95Å; L108-T112 HydrophobicContact CG-CG2 4.34Å; L108-T112 WeakPolarHBondContact O-CB 3.33Å; L108-T112 PolarHBondContact O-N 2.62Å; L108-T112 PolarHBondContact O-OG1 2.94Å; L108-L285 HydrophobicContact CB-CD2 3.92Å; L108-L285 HydrophobicContact CD2-CD1 4.17Å; L108-L285 HydrophobicContact CD2-CD2 4.31Å |
| 109 | T | 89.5 | Confident | 88.5 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -54.7 | -46 | 176.5 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | F105 T106 I107 V113 N114 G281 L285 S379 | F105-T109 WeakPolarHBondContact O-CB 3.34Å; F105-T109 PolarHBondContact O-N 2.95Å; F105-T109 PolarHBondContact O-OG1 3.05Å; T106-T109 WeakPolarHBondContact O-CB 3.47Å; T106-T109 PolarHBondContact O-N 3.19Å; I107-T109 VanDerWaalsContact C-N 3.25Å; I107-T109 PolarHBondContact O-N 2.73Å; T109-V113 HydrophobicContact CG2-CG2 4.09Å; T109-V113 VanDerWaalsContact O-CG2 3.24Å; T109-V113 WeakPolarHBondContact O-CG2 3.44Å; T109-N114 PolarHBondContact O-N 3.36Å; T109-G281 WeakPolarHBondContact CG2-O 3.32Å; T109-L285 WeakPolarHBondContact OG1-CD2 3.42Å; T109-S379 PolarHBondContact OG1-OG 3.02Å; T109-S379 VanDerWaalsContact OG1-OG 3.13Å |
| 110 | L | 84.8 | Confident | 88.2 | Confident | 48 Ų | 48 | 43.1 Ų | 43.1 | 25% | 0.251 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -67.5 | -35.1 | 178.5 | -102 | 114.3 | 0 | 0 | 0 | 113.9 | T106 I107 L108 N114 F277 | T106-L110 HydrophobicContact CG2-CD1 4.46Å; T106-L110 PolarHBondContact O-N 3.06Å; T106-L110 VanDerWaalsContact O-N 3.17Å; I107-L110 PolarHBondContact O-N 3.25Å; L108-L110 VanDerWaalsContact C-N 3.3Å; L108-L110 PolarHBondContact O-N 3.13Å; L110-N114 VanDerWaalsContact O-CB 3.29Å; L110-N114 WeakPolarHBondContact O-CB 3.41Å; L110-F277 HydrophobicContact CD1-CB 4.2Å; L110-F277 HydrophobicContact CD1-CD1 4.5Å; L110-F277 HydrophobicContact CD1-CD2 3.89Å; L110-F277 HydrophobicContact CD1-CE2 4.38Å; L110-F277 HydrophobicContact CD1-CG 3.96Å; L110-F277 HydrophobicContact CD2-CE2 4.35Å; L110-F277 HydrophobicContact CD2-CZ 4.48Å; L110-F277 HydrophobicContact CG-CD2 4.47Å; L110-F277 HydrophobicContact CG-CG 4.47Å |
| 111 | F | 87.5 | Confident | 88 | Confident | 58 Ų | 58 | 42 Ų | 42 | 25% | 0.254 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -97.1 | -22.2 | -173.7 | -80.4 | -99.3 | 0 | 0 | 0 | 113.9 | I107 L108 Y121 N137 | I107-F111 HydrophobicContact CD1-CE2 4.09Å; I107-F111 HydrophobicContact CG2-CD2 3.83Å; I107-F111 HydrophobicContact CG2-CE2 4.2Å; I107-F111 WeakPolarHBondContact O-CD2 3.43Å; I107-F111 PolarHBondContact O-N 2.93Å; L108-F111 PolarHBondContact O-N 2.91Å; L108-F111 VanDerWaalsContact O-N 3.15Å; F111-Y121 WeakPolarHBondContact O-CE2 3.43Å; F111-Y121 VanDerWaalsContact O-CZ 3.27Å; F111-Y121 PolarHBondContact O-OH 3.18Å; F111-N137 HydrophobicContact CE1-CB 4.5Å |
| 112 | T | 87.3 | Confident | 87.6 | Confident | 63 Ų | 63 | 46.8 Ų | 46.8 | 39% | 0.387 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -107.3 | -37.2 | -173.5 | 65.6 | 0 | 0 | 0 | 0 | 114.4 | L108 V118 L285 | L108-T112 HydrophobicContact CD2-CG2 3.95Å; L108-T112 HydrophobicContact CG-CG2 4.34Å; L108-T112 WeakPolarHBondContact O-CB 3.33Å; L108-T112 PolarHBondContact O-N 2.62Å; L108-T112 PolarHBondContact O-OG1 2.94Å; T112-V118 WeakPolarHBondContact O-CG2 3.5Å; T112-L285 WeakPolarHBondContact OG1-CD1 3.45Å |
| 113 | V | 89.4 | Confident | 87.3 | Confident | 20 Ų | 20 | 49.3 Ų | 49.3 | 12% | 0.121 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -116.2 | -16.3 | -174.2 | -65.5 | 0 | 0 | 0 | 0 | 113.7 | T109 Q115 V284 L285 F288 | T109-V113 HydrophobicContact CG2-CG2 4.09Å; T109-V113 VanDerWaalsContact O-CG2 3.24Å; T109-V113 WeakPolarHBondContact O-CG2 3.44Å; V113-Q115 PolarHBondContact O-N 2.94Å; V113-V284 HydrophobicContact CB-CG1 4.1Å; V113-V284 HydrophobicContact CG2-CG1 4.26Å; V113-L285 HydrophobicContact CG1-CB 4.49Å; V113-L285 HydrophobicContact CG1-CD1 3.88Å; V113-L285 HydrophobicContact CG2-CB 4.01Å; V113-L285 HydrophobicContact CG2-CD1 4.35Å; V113-F288 HydrophobicContact CB-CD2 4.11Å; V113-F288 HydrophobicContact CB-CE2 4.33Å; V113-F288 HydrophobicContact CG1-CB 3.78Å; V113-F288 HydrophobicContact CG1-CD1 4.39Å; V113-F288 HydrophobicContact CG1-CD2 3.36Å; V113-F288 HydrophobicContact CG1-CE2 3.98Å; V113-F288 HydrophobicContact CG1-CG 3.59Å |
| 114 | N | 86.6 | Confident | 87.1 | Confident | 33 Ų | 33 | 52 Ų | 52 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | trans | -70.9 | 121.5 | 174.3 | -169.8 | -34.8 | 0 | 0 | 0 | 110.5 | T109 L110 M116 G117 V118 F277 | T109-N114 PolarHBondContact O-N 3.36Å; L110-N114 VanDerWaalsContact O-CB 3.29Å; L110-N114 WeakPolarHBondContact O-CB 3.41Å; N114-M116 PolarHBondContact O-N 2.95Å; N114-M116 VanDerWaalsContact O-N 3.11Å; N114-M116 WeakPolarHBondContact OD1-CB 3.36Å; N114-M116 WeakPolarHBondContact OD1-CG 3.48Å; N114-M116 PolarHBondContact OD1-N 3.41Å; N114-G117 PolarHBondContact O-N 2.92Å; N114-V118 WeakPolarHBondContact O-CG2 3.44Å; N114-V118 PolarHBondContact O-N 2.94Å; N114-V118 VanDerWaalsContact O-N 3.11Å; N114-F277 VanDerWaalsContact ND2-CE1 3.35Å; N114-F277 WeakPolarHBondContact ND2-CE1 3.42Å | ||
| 115 | Q | 87.4 | Confident | 86.8 | Confident | 56 Ų | 56 | 54 Ų | 54 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.3 | -28.6 | -176.5 | -177.2 | 67.8 | -10.6 | 0 | 0 | 113.4 | V113 G117 Q119 A213 V217 | V113-Q115 PolarHBondContact O-N 2.94Å; Q115-G117 VanDerWaalsContact C-N 3.28Å; Q115-G117 PolarHBondContact O-N 2.91Å; Q115-Q119 WeakPolarHBondContact O-CB 3.22Å; Q115-Q119 PolarHBondContact O-N 3.3Å; Q115-A213 HydrophobicContact CB-CB 3.84Å; Q115-A213 HydrophobicContact CG-CB 3.64Å; Q115-V217 HydrophobicContact CB-CG2 4.25Å; Q115-V217 HydrophobicContact CG-CG2 3.92Å |
| 116 | M | 84.4 | Confident | 86.8 | Confident | 38 Ų | 38 | 55 Ų | 55 | 19% | 0.187 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.7 | -39.2 | 175.4 | -63.3 | -164.4 | -61 | 0 | 0 | 112.7 | N114 G210 A213 | N114-M116 PolarHBondContact O-N 2.95Å; N114-M116 VanDerWaalsContact O-N 3.11Å; N114-M116 WeakPolarHBondContact OD1-CB 3.36Å; N114-M116 WeakPolarHBondContact OD1-CG 3.48Å; N114-M116 PolarHBondContact OD1-N 3.41Å; M116-G210 VanDerWaalsContact SD-CA 3.59Å; M116-G210 PolarHBondContact SD-N 3.48Å; M116-G210 VanDerWaalsContact SD-N 3.36Å; M116-A213 HydrophobicContact CG-CB 4.02Å |
| 117 | G | 82.4 | Confident | 86.8 | Confident | 16 Ų | 16 | 61 Ų | 61 | 17% | 0.165 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -81.7 | -47.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N114 Q115 Q119 R120 Y121 | N114-G117 PolarHBondContact O-N 2.92Å; Q115-G117 VanDerWaalsContact C-N 3.28Å; Q115-G117 PolarHBondContact O-N 2.91Å; G117-Q119 VanDerWaalsContact C-N 3.26Å; G117-Q119 PolarHBondContact O-N 3.3Å; G117-R120 WeakPolarHBondContact O-CB 3.26Å; G117-R120 PolarHBondContact O-N 3.27Å; G117-Y121 PolarHBondContact O-N 3.16Å |
| 118 | V | 85.9 | Confident | 86.9 | Confident | 24 Ų | 24 | 64 Ų | 64 | 15% | 0.145 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56 | -42.1 | -178.3 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | T112 N114 R120 Y121 F122 | T112-V118 WeakPolarHBondContact O-CG2 3.5Å; N114-V118 WeakPolarHBondContact O-CG2 3.44Å; N114-V118 PolarHBondContact O-N 2.94Å; N114-V118 VanDerWaalsContact O-N 3.11Å; V118-R120 PolarHBondContact O-N 3.25Å; V118-Y121 PolarHBondContact O-N 2.87Å; V118-Y121 VanDerWaalsContact O-N 3.14Å; V118-F122 HydrophobicContact CG1-CD2 3.73Å; V118-F122 HydrophobicContact CG1-CE2 3.42Å; V118-F122 VanDerWaalsContact CG1-CE2 3.42Å; V118-F122 VanDerWaalsContact O-CD2 3.3Å; V118-F122 WeakPolarHBondContact O-CD2 3.41Å; V118-F122 PolarHBondContact O-N 3.36Å |
| 119 | Q | 84.1 | Confident | 86.9 | Confident | 35 Ų | 35 | 63.2 Ų | 63.2 | 16% | 0.164 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -32 | 178.7 | -163.3 | 175.9 | 11.4 | 0 | 0 | 112.6 | Q115 G117 S123 | Q115-Q119 WeakPolarHBondContact O-CB 3.22Å; Q115-Q119 PolarHBondContact O-N 3.3Å; G117-Q119 VanDerWaalsContact C-N 3.26Å; G117-Q119 PolarHBondContact O-N 3.3Å; Q119-S123 PolarHBondContact O-N 2.91Å; Q119-S123 PolarHBondContact O-OG 3Å |
| 120 | R | 83.4 | Confident | 86.9 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 25% | 0.245 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -72.6 | -33.9 | 176 | -66.7 | -168.8 | -179.7 | -132.5 | -0.2 | 112.5 | S43 G117 V118 S123 S209 | S43-R120 PolarHBondContact OG-NH2 3.08Å; G117-R120 WeakPolarHBondContact O-CB 3.26Å; G117-R120 PolarHBondContact O-N 3.27Å; V118-R120 PolarHBondContact O-N 3.25Å; R120-S123 WeakPolarHBondContact O-CB 3.28Å; R120-S123 PolarHBondContact O-N 2.99Å; R120-S209 PolarHBondContact NH2-OG 2.97Å |
| 121 | Y | 86.5 | Confident | 87.3 | Confident | 52 Ų | 52 | 66.3 Ų | 66.3 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 175.2 | -50.1 | -34.2 | 0 | 0 | 0 | 111.5 | F111 G117 V118 S123 M124 M133 V134 | F111-Y121 WeakPolarHBondContact O-CE2 3.43Å; F111-Y121 VanDerWaalsContact O-CZ 3.27Å; F111-Y121 PolarHBondContact O-OH 3.18Å; G117-Y121 PolarHBondContact O-N 3.16Å; V118-Y121 PolarHBondContact O-N 2.87Å; V118-Y121 VanDerWaalsContact O-N 3.14Å; Y121-S123 PolarHBondContact O-N 2.8Å; Y121-M124 WeakPolarHBondContact O-CB 3.19Å; Y121-M124 PolarHBondContact O-N 3.5Å; Y121-M133 HydrophobicContact CD1-CE 3.3Å; Y121-M133 HydrophobicContact CE1-CE 3.36Å; Y121-V134 HydrophobicContact CD1-CG2 4.01Å; Y121-V134 HydrophobicContact CE1-CG2 3.52Å |
| 122 | F | 85 | Confident | 87.4 | Confident | 173 Ų | 173 | 67 Ų | 67 | 76% | 0.759 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -12.3 | 177.2 | -72.6 | -60.8 | 0 | 0 | 0 | 114 | V118 M124 | V118-F122 HydrophobicContact CG1-CD2 3.73Å; V118-F122 HydrophobicContact CG1-CE2 3.42Å; V118-F122 VanDerWaalsContact CG1-CE2 3.42Å; V118-F122 VanDerWaalsContact O-CD2 3.3Å; V118-F122 WeakPolarHBondContact O-CD2 3.41Å; V118-F122 PolarHBondContact O-N 3.36Å; F122-M124 VanDerWaalsContact C-N 3.26Å |
| 123 | S | 82.5 | Confident | 87.5 | Confident | 53 Ų | 53 | 66.1 Ų | 66.1 | 37% | 0.371 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -10.5 | 173.1 | -51.3 | 0 | 0 | 0 | 0 | 112.6 | Q119 R120 Y121 | Q119-S123 PolarHBondContact O-N 2.91Å; Q119-S123 PolarHBondContact O-OG 3Å; R120-S123 WeakPolarHBondContact O-CB 3.28Å; R120-S123 PolarHBondContact O-N 2.99Å; Y121-S123 PolarHBondContact O-N 2.8Å |
| 124 | M | 84.7 | Confident | 87.5 | Confident | 66 Ų | 66 | 68 Ų | 68 | 33% | 0.325 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -85.3 | 141.5 | -178.9 | -65.2 | -67.4 | 132.2 | 0 | 0 | 111.6 | Y121 F122 T126 A130 M133 | Y121-M124 WeakPolarHBondContact O-CB 3.19Å; Y121-M124 PolarHBondContact O-N 3.5Å; F122-M124 VanDerWaalsContact C-N 3.26Å; M124-T126 VanDerWaalsContact C-N 3.28Å; M124-T126 PolarHBondContact O-N 3.25Å; M124-A130 HydrophobicContact CB-CB 3.95Å; M124-A130 HydrophobicContact CG-CB 4.11Å; M124-M133 HydrophobicContact CE-SD 3.8Å; M124-M133 HydrophobicContact CG-SD 4.39Å; M124-M133 HydrophobicContact SD-SD 4.42Å |
| 125 | P | 87.5 | Confident | 87.7 | Confident | 113 Ų | 113 | 71.8 Ų | 71.8 | 73% | 0.734 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -69.6 | -26.1 | -175 | 26.8 | -34.4 | 0 | 0 | 0 | 113.2 | ||
| 126 | T | 93.3 | Very high | 87.8 | Confident | 73 Ų | 73 | 73.8 Ų | 73.8 | 45% | 0.448 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -140 | 154.1 | -178.7 | 70.7 | 0 | 0 | 0 | 0 | 110.9 | M124 K128 S129 A130 | M124-T126 VanDerWaalsContact C-N 3.28Å; M124-T126 PolarHBondContact O-N 3.25Å; T126-K128 PolarHBondContact O-N 3.34Å; T126-S129 PolarHBondContact O-N 3.15Å; T126-S129 PolarHBondContact OG1-N 3.21Å; T126-S129 PolarHBondContact OG1-OG 3.37Å; T126-A130 PolarHBondContact O-N 3.01Å |
| 127 | L | 89.1 | Confident | 87.9 | Confident | 131 Ų | 131 | 74.5 Ų | 74.5 | 69% | 0.686 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -55.3 | -39.6 | 172.1 | 178.3 | 62.8 | 0 | 0 | 0 | 111.6 | A130 Q131 | L127-A130 WeakPolarHBondContact O-CB 3.28Å; L127-A130 PolarHBondContact O-N 3.19Å; L127-Q131 HydrophobicContact CD1-CG 4.33Å; L127-Q131 HydrophobicContact CG-CG 4.41Å; L127-Q131 WeakPolarHBondContact O-CG 3.31Å; L127-Q131 PolarHBondContact O-N 2.73Å |
| 128 | K | 92.6 | Very high | 88.2 | Confident | 160 Ų | 160 | 78.6 Ų | 78.6 | 70% | 0.696 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64 | -42.6 | 179.6 | -153.1 | 175.5 | -174.6 | -179.9 | 0 | 111.2 | T126 A130 Q131 T132 | T126-K128 PolarHBondContact O-N 3.34Å; K128-A130 PolarHBondContact O-N 3.11Å; K128-Q131 PolarHBondContact O-N 2.8Å; K128-T132 PolarHBondContact O-N 3.39Å; K128-T132 PolarHBondContact O-OG1 2.91Å |
| 129 | S | 91 | Very high | 88.3 | Confident | 47 Ų | 47 | 80.7 Ų | 80.7 | 33% | 0.329 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 172.4 | -74.9 | 0 | 0 | 0 | 0 | 112.6 | T126 T132 M133 | T126-S129 PolarHBondContact O-N 3.15Å; T126-S129 PolarHBondContact OG1-N 3.21Å; T126-S129 PolarHBondContact OG1-OG 3.37Å; S129-T132 PolarHBondContact O-N 3.44Å; S129-M133 WeakPolarHBondContact O-CB 3.41Å; S129-M133 PolarHBondContact O-N 2.89Å |
| 130 | A | 90.5 | Very high | 88.4 | Confident | 12 Ų | 12 | 83 Ų | 83 | 10% | 0.099 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M124 T126 L127 K128 M133 V134 | M124-A130 HydrophobicContact CB-CB 3.95Å; M124-A130 HydrophobicContact CG-CB 4.11Å; T126-A130 PolarHBondContact O-N 3.01Å; L127-A130 WeakPolarHBondContact O-CB 3.28Å; L127-A130 PolarHBondContact O-N 3.19Å; K128-A130 PolarHBondContact O-N 3.11Å; A130-M133 WeakPolarHBondContact O-CB 3.34Å; A130-M133 PolarHBondContact O-N 3.45Å; A130-V134 WeakPolarHBondContact O-CG2 3.38Å; A130-V134 PolarHBondContact O-N 3.36Å |
| 131 | Q | 92 | Very high | 88.5 | Confident | 104 Ų | 104 | 83.2 Ų | 83.2 | 49% | 0.486 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 175.7 | -73.1 | 173.2 | -29.3 | 0 | 0 | 111.8 | L127 K128 M133 V134 L135 | L127-Q131 HydrophobicContact CD1-CG 4.33Å; L127-Q131 HydrophobicContact CG-CG 4.41Å; L127-Q131 WeakPolarHBondContact O-CG 3.31Å; L127-Q131 PolarHBondContact O-N 2.73Å; K128-Q131 PolarHBondContact O-N 2.8Å; Q131-M133 VanDerWaalsContact C-N 3.28Å; Q131-M133 PolarHBondContact O-N 3.34Å; Q131-V134 PolarHBondContact O-N 2.96Å; Q131-L135 WeakPolarHBondContact O-CG 3.43Å; Q131-L135 PolarHBondContact O-N 3Å |
| 132 | T | 90.6 | Very high | 88.6 | Confident | 73 Ų | 73 | 89 Ų | 89 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 175.7 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | K128 S129 L135 L136 | K128-T132 PolarHBondContact O-N 3.39Å; K128-T132 PolarHBondContact O-OG1 2.91Å; S129-T132 PolarHBondContact O-N 3.44Å; T132-L135 PolarHBondContact O-N 2.91Å; T132-L136 HydrophobicContact CG2-CD1 4.12Å; T132-L136 WeakPolarHBondContact O-CB 3.36Å; T132-L136 PolarHBondContact O-N 3.16Å |
| 133 | M | 89 | Confident | 88.7 | Confident | 45 Ų | 45 | 85.2 Ų | 85.2 | 22% | 0.222 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 176.6 | -171.2 | -156 | 76.2 | 0 | 0 | 112.3 | Y121 M124 S129 A130 Q131 N137 | Y121-M133 HydrophobicContact CD1-CE 3.3Å; Y121-M133 HydrophobicContact CE1-CE 3.36Å; M124-M133 HydrophobicContact CE-SD 3.8Å; M124-M133 HydrophobicContact CG-SD 4.39Å; M124-M133 HydrophobicContact SD-SD 4.42Å; S129-M133 WeakPolarHBondContact O-CB 3.41Å; S129-M133 PolarHBondContact O-N 2.89Å; A130-M133 WeakPolarHBondContact O-CB 3.34Å; A130-M133 PolarHBondContact O-N 3.45Å; Q131-M133 VanDerWaalsContact C-N 3.28Å; Q131-M133 PolarHBondContact O-N 3.34Å; M133-N137 PolarHBondContact O-N 3.2Å; M133-N137 PolarHBondContact O-ND2 3.24Å |
| 134 | V | 88.6 | Confident | 88.9 | Confident | 59 Ų | 59 | 83.1 Ų | 83.1 | 36% | 0.358 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | Y121 A130 Q131 L136 N137 | Y121-V134 HydrophobicContact CD1-CG2 4.01Å; Y121-V134 HydrophobicContact CE1-CG2 3.52Å; A130-V134 WeakPolarHBondContact O-CG2 3.38Å; A130-V134 PolarHBondContact O-N 3.36Å; Q131-V134 PolarHBondContact O-N 2.96Å; V134-L136 PolarHBondContact O-N 2.95Å; V134-N137 WeakPolarHBondContact O-CB 3.28Å; V134-N137 PolarHBondContact O-N 3.48Å; V134-N137 VanDerWaalsContact O-N 3.16Å |
| 135 | L | 91.5 | Very high | 89 | Confident | 112 Ų | 112 | 84.1 Ų | 84.1 | 59% | 0.586 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.8 | -37 | 178.1 | -72.8 | 166.2 | 0 | 0 | 0 | 112.7 | Q131 T132 N137 I138 P139 | Q131-L135 WeakPolarHBondContact O-CG 3.43Å; Q131-L135 PolarHBondContact O-N 3Å; T132-L135 PolarHBondContact O-N 2.91Å; L135-N137 PolarHBondContact O-N 2.97Å; L135-I138 HydrophobicContact CD2-CD1 4.1Å; L135-I138 WeakPolarHBondContact O-CB 3.25Å; L135-I138 PolarHBondContact O-N 3.2Å; L135-I138 VanDerWaalsContact O-N 3.13Å; L135-P139 WeakPolarHBondContact O-CD 3.26Å |
| 136 | L | 88.3 | Confident | 89.2 | Confident | 98 Ų | 98 | 81.5 Ų | 81.5 | 51% | 0.513 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.7 | -23.1 | 174.8 | -87.8 | 161.9 | 0 | 0 | 0 | 113.4 | T132 V134 I138 P139 L140 | T132-L136 HydrophobicContact CG2-CD1 4.12Å; T132-L136 WeakPolarHBondContact O-CB 3.36Å; T132-L136 PolarHBondContact O-N 3.16Å; V134-L136 PolarHBondContact O-N 2.95Å; L136-I138 PolarHBondContact O-N 3.31Å; L136-P139 WeakPolarHBondContact O-CD 3.43Å; L136-P139 WeakPolarHBondContact O-CG 3.49Å; L136-L140 WeakPolarHBondContact O-CD1 3.33Å |
| 137 | N | 87.3 | Confident | 89.2 | Confident | 54 Ų | 54 | 78.4 Ų | 78.4 | 29% | 0.289 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.7 | -19.6 | 175.8 | -86.5 | -84.2 | 0 | 0 | 0 | 113.2 | F111 M133 V134 L135 N141 | F111-N137 HydrophobicContact CE1-CB 4.5Å; M133-N137 PolarHBondContact O-N 3.2Å; M133-N137 PolarHBondContact O-ND2 3.24Å; V134-N137 WeakPolarHBondContact O-CB 3.28Å; V134-N137 PolarHBondContact O-N 3.48Å; V134-N137 VanDerWaalsContact O-N 3.16Å; L135-N137 PolarHBondContact O-N 2.97Å; N137-N141 VanDerWaalsContact O-CB 3.29Å; N137-N141 WeakPolarHBondContact O-CB 3.44Å; N137-N141 PolarHBondContact O-N 2.99Å; N137-N141 PolarHBondContact O-ND2 3.5Å |
| 138 | I | 87.9 | Confident | 89.3 | Confident | 101 Ų | 101 | 77.5 Ų | 77.5 | 52% | 0.518 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.7 | -60.4 | 179.4 | -60.9 | 172 | 0 | 0 | 0 | 111.1 | L135 L136 L140 N141 Y142 | L135-I138 HydrophobicContact CD2-CD1 4.1Å; L135-I138 WeakPolarHBondContact O-CB 3.25Å; L135-I138 PolarHBondContact O-N 3.2Å; L135-I138 VanDerWaalsContact O-N 3.13Å; L136-I138 PolarHBondContact O-N 3.31Å; I138-L140 VanDerWaalsContact C-N 3.32Å; I138-L140 PolarHBondContact O-N 3.49Å; I138-N141 PolarHBondContact O-N 3.25Å; I138-Y142 PolarHBondContact O-N 2.94Å; I138-Y142 VanDerWaalsContact O-N 3.12Å |
| 139 | P | 90 | Very high | 89.3 | Confident | 68 Ų | 68 | 73.4 Ų | 73.4 | 44% | 0.442 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 178.6 | 25 | -34.5 | 0 | 0 | 0 | 112 | L135 L136 N141 Y142 I143 | L135-P139 WeakPolarHBondContact O-CD 3.26Å; L136-P139 WeakPolarHBondContact O-CD 3.43Å; L136-P139 WeakPolarHBondContact O-CG 3.49Å; P139-N141 PolarHBondContact O-N 3.45Å; P139-Y142 PolarHBondContact O-N 3.27Å; P139-I143 VanDerWaalsContact O-CG1 3.31Å; P139-I143 WeakPolarHBondContact O-CG1 3.3Å; P139-I143 PolarHBondContact O-N 2.93Å |
| 140 | L | 84.3 | Confident | 89.5 | Confident | 83 Ų | 83 | 72.8 Ų | 72.8 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 179.1 | -88.5 | 161.9 | 0 | 0 | 0 | 112.8 | L136 I138 I143 C144 | L136-L140 WeakPolarHBondContact O-CD1 3.33Å; I138-L140 VanDerWaalsContact C-N 3.32Å; I138-L140 PolarHBondContact O-N 3.49Å; L140-I143 PolarHBondContact O-N 3.43Å; L140-C144 PolarHBondContact O-N 3.18Å; L140-C144 PolarHBondContact O-SG 2.98Å |
| 141 | N | 85.7 | Confident | 89.6 | Confident | 71 Ų | 71 | 72.5 Ų | 72.5 | 38% | 0.38 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 175.2 | -87.7 | -46 | 0 | 0 | 0 | 111.5 | N137 I138 P139 I143 C144 T145 | N137-N141 VanDerWaalsContact O-CB 3.29Å; N137-N141 WeakPolarHBondContact O-CB 3.44Å; N137-N141 PolarHBondContact O-N 2.99Å; N137-N141 PolarHBondContact O-ND2 3.5Å; I138-N141 PolarHBondContact O-N 3.25Å; P139-N141 PolarHBondContact O-N 3.45Å; N141-I143 VanDerWaalsContact C-N 3.27Å; N141-I143 PolarHBondContact O-N 3.14Å; N141-C144 PolarHBondContact O-N 3.43Å; N141-T145 WeakPolarHBondContact O-CB 3.37Å; N141-T145 PolarHBondContact O-N 2.92Å; N141-T145 PolarHBondContact O-OG1 2.86Å |
| 142 | Y | 89.2 | Confident | 89.7 | Confident | 174 Ų | 174 | 69.3 Ų | 69.3 | 68% | 0.682 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -55.4 | -45.2 | 175.8 | -109.1 | -80 | 0 | 0 | 0 | 112 | I138 P139 S146 | I138-Y142 PolarHBondContact O-N 2.94Å; I138-Y142 VanDerWaalsContact O-N 3.12Å; P139-Y142 PolarHBondContact O-N 3.27Å; Y142-S146 VanDerWaalsContact O-CB 3.29Å; Y142-S146 WeakPolarHBondContact O-CB 2.89Å; Y142-S146 PolarHBondContact O-N 3.03Å; Y142-S146 PolarHBondContact O-OG 3.17Å |
| 143 | I | 87 | Confident | 89.8 | Confident | 93 Ų | 93 | 66.1 Ų | 66.1 | 48% | 0.477 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.9 | -51.7 | 176.6 | -66.9 | 164.8 | 0 | 0 | 0 | 110.4 | P139 L140 N141 T145 S146 I147 | P139-I143 VanDerWaalsContact O-CG1 3.31Å; P139-I143 WeakPolarHBondContact O-CG1 3.3Å; P139-I143 PolarHBondContact O-N 2.93Å; L140-I143 PolarHBondContact O-N 3.43Å; N141-I143 VanDerWaalsContact C-N 3.27Å; N141-I143 PolarHBondContact O-N 3.14Å; I143-T145 PolarHBondContact O-N 3.38Å; I143-S146 PolarHBondContact O-N 3.22Å; I143-I147 HydrophobicContact CG2-CD1 3.91Å; I143-I147 WeakPolarHBondContact O-CG1 3.44Å; I143-I147 PolarHBondContact O-N 3.25Å |
| 144 | C | 87 | Confident | 90.1 | Very high | 9 Ų | 9 | 64 Ų | 64 | 6% | 0.061 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.4 | -44.9 | -177.2 | -67 | 0 | 0 | 0 | 0 | 112.6 | M47 L140 N141 S146 I147 F148 | M47-C144 VanDerWaalsContact CE-SG 3.55Å; L140-C144 PolarHBondContact O-N 3.18Å; L140-C144 PolarHBondContact O-SG 2.98Å; N141-C144 PolarHBondContact O-N 3.43Å; C144-S146 VanDerWaalsContact C-N 3.32Å; C144-S146 PolarHBondContact O-N 3.29Å; C144-I147 PolarHBondContact O-N 3.15Å; C144-F148 HydrophobicContact CB-CE2 4.32Å; C144-F148 VanDerWaalsContact O-CD2 3.22Å; C144-F148 WeakPolarHBondContact O-CD2 3.3Å; C144-F148 WeakPolarHBondContact O-CG 3.07Å; C144-F148 PolarHBondContact O-N 3.23Å |
| 145 | T | 87.6 | Confident | 90.4 | Very high | 86 Ų | 86 | 62.2 Ų | 62.2 | 53% | 0.528 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.9 | -37.5 | 178.9 | -49 | 0 | 0 | 0 | 0 | 111.5 | N141 I143 F148 F149 | N141-T145 WeakPolarHBondContact O-CB 3.37Å; N141-T145 PolarHBondContact O-N 2.92Å; N141-T145 PolarHBondContact O-OG1 2.86Å; I143-T145 PolarHBondContact O-N 3.38Å; T145-F148 PolarHBondContact O-N 3.34Å; T145-F149 PolarHBondContact O-N 2.9Å |
| 146 | S | 91.6 | Very high | 90.4 | Very high | 58 Ų | 58 | 58.4 Ų | 58.4 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 174.7 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | Y142 I143 C144 F148 F149 L150 | Y142-S146 VanDerWaalsContact O-CB 3.29Å; Y142-S146 WeakPolarHBondContact O-CB 2.89Å; Y142-S146 PolarHBondContact O-N 3.03Å; Y142-S146 PolarHBondContact O-OG 3.17Å; I143-S146 PolarHBondContact O-N 3.22Å; C144-S146 VanDerWaalsContact C-N 3.32Å; C144-S146 PolarHBondContact O-N 3.29Å; S146-F148 PolarHBondContact O-N 2.98Å; S146-F149 PolarHBondContact O-N 3.17Å; S146-L150 VanDerWaalsContact O-CG 3.25Å; S146-L150 WeakPolarHBondContact O-CG 3.24Å; S146-L150 PolarHBondContact O-N 3.32Å |
| 147 | I | 92.6 | Very high | 90.5 | Very high | 8 Ų | 8 | 55.4 Ų | 55.4 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.9 | -65.4 | 162.6 | 0 | 0 | 0 | 111.1 | L54 L55 L58 I143 C144 F149 L150 L151 | L54-I147 HydrophobicContact CB-CG2 3.64Å; L55-I147 HydrophobicContact CD2-CD1 4.09Å; L55-I147 HydrophobicContact CD2-CG1 4.46Å; L55-I147 HydrophobicContact CG-CD1 3.99Å; L58-I147 HydrophobicContact CD2-CG1 4.21Å; L58-I147 HydrophobicContact CD2-CG2 4.22Å; I143-I147 HydrophobicContact CG2-CD1 3.91Å; I143-I147 WeakPolarHBondContact O-CG1 3.44Å; I143-I147 PolarHBondContact O-N 3.25Å; C144-I147 PolarHBondContact O-N 3.15Å; I147-F149 PolarHBondContact O-N 2.84Å; I147-L150 PolarHBondContact O-N 3.01Å; I147-L151 HydrophobicContact CG2-CD1 3.92Å; I147-L151 HydrophobicContact CG2-CG 4.42Å; I147-L151 WeakPolarHBondContact O-CB 2.98Å; I147-L151 WeakPolarHBondContact O-CG 3.15Å; I147-L151 PolarHBondContact O-N 2.72Å |
| 148 | F | 91.7 | Very high | 90.7 | Very high | 112 Ų | 112 | 54.8 Ų | 54.8 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 177.6 | -63.6 | -41.1 | 0 | 0 | 0 | 112.9 | L54 C144 T145 S146 L151 G152 | L54-F148 HydrophobicContact CD1-CD1 4.13Å; L54-F148 HydrophobicContact CD1-CE1 3.29Å; L54-F148 HydrophobicContact CD1-CZ 3.83Å; L54-F148 HydrophobicContact CD2-CD1 4.18Å; L54-F148 HydrophobicContact CD2-CE1 3.81Å; L54-F148 HydrophobicContact CG-CE1 4.2Å; C144-F148 HydrophobicContact CB-CE2 4.32Å; C144-F148 VanDerWaalsContact O-CD2 3.22Å; C144-F148 WeakPolarHBondContact O-CD2 3.3Å; C144-F148 WeakPolarHBondContact O-CG 3.07Å; C144-F148 PolarHBondContact O-N 3.23Å; T145-F148 PolarHBondContact O-N 3.34Å; S146-F148 PolarHBondContact O-N 2.98Å; F148-L151 PolarHBondContact O-N 3.11Å; F148-G152 PolarHBondContact O-N 3.23Å; F148-G152 VanDerWaalsContact O-N 3.09Å |
| 149 | F | 91.9 | Very high | 90.8 | Very high | 75 Ų | 75 | 50.6 Ų | 50.6 | 33% | 0.329 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 177.4 | 178.4 | -100.6 | 0 | 0 | 0 | 111.5 | W72 V81 F83 T145 S146 I147 L151 G152 L153 | W72-F149 HydrophobicContact CH2-CE1 4.2Å; W72-F149 AromaticContact CZ3-CE1 3.86Å; W72-F149 HydrophobicContact CZ3-CE1 3.86Å; V81-F149 HydrophobicContact CG2-CZ 4.3Å; F83-F149 HydrophobicContact CE1-CE2 4.42Å; F83-F149 HydrophobicContact CE1-CZ 4.07Å; F83-F149 HydrophobicContact CZ-CE1 4.1Å; F83-F149 AromaticContact CZ-CZ 3.88Å; F83-F149 HydrophobicContact CZ-CZ 3.88Å; T145-F149 PolarHBondContact O-N 2.9Å; S146-F149 PolarHBondContact O-N 3.17Å; I147-F149 PolarHBondContact O-N 2.84Å; F149-L151 PolarHBondContact O-N 2.86Å; F149-G152 PolarHBondContact O-N 3Å; F149-G152 VanDerWaalsContact O-N 3.15Å; F149-L153 HydrophobicContact CD1-CD1 4.25Å; F149-L153 HydrophobicContact CE1-CD1 3.65Å; F149-L153 HydrophobicContact CE1-CG 4.24Å; F149-L153 HydrophobicContact CZ-CD1 4.13Å; F149-L153 HydrophobicContact CZ-CD2 4.48Å; F149-L153 HydrophobicContact CZ-CG 4.42Å; F149-L153 PolarHBondContact O-N 3.08Å; F149-L153 VanDerWaalsContact O-N 3.16Å |
| 150 | L | 94.6 | Very high | 90.6 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 18% | 0.178 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.7 | -38.8 | -179.7 | -64.3 | 169.2 | 0 | 0 | 0 | 112.3 | L58 M68 W72 S146 I147 G152 L153 I154 | L58-L150 HydrophobicContact CD1-CB 3.42Å; L58-L150 VanDerWaalsContact CD1-CB 3.42Å; L58-L150 HydrophobicContact CD1-CD1 4.28Å; L58-L150 HydrophobicContact CD1-CG 4.5Å; L58-L150 HydrophobicContact CD2-CD1 4.12Å; M68-L150 HydrophobicContact CE-CB 4.26Å; M68-L150 HydrophobicContact CE-CD1 3.91Å; M68-L150 HydrophobicContact CE-CD2 3.88Å; M68-L150 HydrophobicContact CE-CG 4.23Å; M68-L150 HydrophobicContact SD-CD2 3.88Å; W72-L150 HydrophobicContact CE3-CD2 4.48Å; W72-L150 HydrophobicContact CZ3-CD2 4.28Å; S146-L150 VanDerWaalsContact O-CG 3.25Å; S146-L150 WeakPolarHBondContact O-CG 3.24Å; S146-L150 PolarHBondContact O-N 3.32Å; I147-L150 PolarHBondContact O-N 3.01Å; L150-G152 VanDerWaalsContact C-N 3.28Å; L150-G152 PolarHBondContact O-N 3.2Å; L150-L153 PolarHBondContact O-N 3.22Å; L150-L153 VanDerWaalsContact O-N 3.16Å; L150-I154 WeakPolarHBondContact O-CG1 3.41Å; L150-I154 PolarHBondContact O-N 3.22Å |
| 151 | L | 94.2 | Very high | 90.5 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -38.3 | 172.3 | -77.4 | 169.5 | 0 | 0 | 0 | 112.2 | L54 V57 L58 I147 F148 F149 L153 I154 L155 | L54-L151 HydrophobicContact CB-CD1 4.35Å; L54-L151 HydrophobicContact CD2-CD1 3.6Å; V57-L151 HydrophobicContact CB-CD2 4.06Å; V57-L151 HydrophobicContact CG1-CD2 3.53Å; L58-L151 HydrophobicContact CB-CD2 4.21Å; L58-L151 HydrophobicContact CB-CG 4.45Å; L58-L151 HydrophobicContact CD1-CD2 4.49Å; L58-L151 HydrophobicContact CD1-CG 4.36Å; I147-L151 HydrophobicContact CG2-CD1 3.92Å; I147-L151 HydrophobicContact CG2-CG 4.42Å; I147-L151 WeakPolarHBondContact O-CB 2.98Å; I147-L151 WeakPolarHBondContact O-CG 3.15Å; I147-L151 PolarHBondContact O-N 2.72Å; F148-L151 PolarHBondContact O-N 3.11Å; F149-L151 PolarHBondContact O-N 2.86Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L151-L153 PolarHBondContact O-N 2.63Å; L151-I154 PolarHBondContact O-N 3.27Å; L151-L155 WeakPolarHBondContact O-CG 3.27Å; L151-L155 PolarHBondContact O-N 3.18Å; L151-L155 VanDerWaalsContact O-N 3.07Å |
| 152 | G | 92.8 | Very high | 90.5 | Very high | 38 Ų | 38 | 44.1 Ų | 44.1 | 39% | 0.392 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.9 | -38.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | F148 F149 L150 L155 Y156 | F148-G152 PolarHBondContact O-N 3.23Å; F148-G152 VanDerWaalsContact O-N 3.09Å; F149-G152 PolarHBondContact O-N 3Å; F149-G152 VanDerWaalsContact O-N 3.15Å; L150-G152 VanDerWaalsContact C-N 3.28Å; L150-G152 PolarHBondContact O-N 3.2Å; G152-L155 PolarHBondContact O-N 3.5Å; G152-Y156 PolarHBondContact O-N 3.45Å; G152-Y156 VanDerWaalsContact O-N 3.15Å |
| 153 | L | 94.1 | Very high | 90.4 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.2 | -38.3 | 175.4 | -65.1 | -179.8 | 0 | 0 | 0 | 112.3 | V71 W72 R80 V81 F149 L150 L151 Y156 H157 | V71-L153 HydrophobicContact CG1-CB 3.64Å; W72-L153 HydrophobicContact CE3-CD1 3.88Å; W72-L153 HydrophobicContact CZ3-CD1 4.15Å; R80-L153 HydrophobicContact CB-CD2 3.92Å; V81-L153 HydrophobicContact CG2-CD1 3.89Å; V81-L153 HydrophobicContact CG2-CD2 3.83Å; F149-L153 HydrophobicContact CD1-CD1 4.25Å; F149-L153 HydrophobicContact CE1-CD1 3.65Å; F149-L153 HydrophobicContact CE1-CG 4.24Å; F149-L153 HydrophobicContact CZ-CD1 4.13Å; F149-L153 HydrophobicContact CZ-CD2 4.48Å; F149-L153 HydrophobicContact CZ-CG 4.42Å; F149-L153 PolarHBondContact O-N 3.08Å; F149-L153 VanDerWaalsContact O-N 3.16Å; L150-L153 PolarHBondContact O-N 3.22Å; L150-L153 VanDerWaalsContact O-N 3.16Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L151-L153 PolarHBondContact O-N 2.63Å; L153-Y156 PolarHBondContact O-N 3.1Å; L153-H157 PolarHBondContact O-N 3.16Å |
| 154 | I | 95.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.5 | -46.4 | 174.8 | -69.3 | 170.8 | 0 | 0 | 0 | 110.5 | L58 V71 L150 L151 Y156 H157 T158 Y180 | L58-I154 HydrophobicContact CD1-CD1 3.79Å; V71-I154 HydrophobicContact CG1-CG1 3.99Å; V71-I154 HydrophobicContact CG2-CG1 4.25Å; L150-I154 WeakPolarHBondContact O-CG1 3.41Å; L150-I154 PolarHBondContact O-N 3.22Å; L151-I154 PolarHBondContact O-N 3.27Å; I154-Y156 VanDerWaalsContact C-N 3.31Å; I154-Y156 PolarHBondContact O-N 2.8Å; I154-H157 WeakPolarHBondContact O-CB 3.36Å; I154-H157 PolarHBondContact O-N 3.2Å; I154-T158 PolarHBondContact O-N 3.33Å; I154-T158 VanDerWaalsContact O-N 3.1Å; I154-T158 PolarHBondContact O-OG1 3.48Å; I154-Y180 HydrophobicContact CG2-CE1 3.79Å; I154-Y180 HydrophobicContact CG2-CE2 4.36Å; I154-Y180 VanDerWaalsContact CG2-OH 3.3Å; I154-Y180 WeakPolarHBondContact CG2-OH 3.41Å |
| 155 | L | 93.4 | Very high | 90.3 | Very high | 22 Ų | 22 | 33.4 Ų | 33.4 | 12% | 0.115 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.2 | -43.5 | 176.3 | -71.6 | 172.9 | 0 | 0 | 0 | 112.4 | L151 G152 T158 Y159 L176 L177 Y180 | L151-L155 WeakPolarHBondContact O-CG 3.27Å; L151-L155 PolarHBondContact O-N 3.18Å; L151-L155 VanDerWaalsContact O-N 3.07Å; G152-L155 PolarHBondContact O-N 3.5Å; L155-T158 PolarHBondContact O-N 3.42Å; L155-Y159 HydrophobicContact CD2-CD2 4.38Å; L155-Y159 HydrophobicContact CD2-CE2 4.38Å; L155-Y159 PolarHBondContact O-N 3.13Å; L155-L176 HydrophobicContact CB-CD2 4.47Å; L155-L177 HydrophobicContact CD1-CB 3.96Å; L155-L177 HydrophobicContact CD1-CD1 3.95Å; L155-L177 HydrophobicContact CD2-CD1 4.07Å; L155-L177 HydrophobicContact CG-CD1 4.14Å; L155-Y180 HydrophobicContact CD2-CD1 4.02Å; L155-Y180 HydrophobicContact CD2-CD2 4.1Å; L155-Y180 HydrophobicContact CD2-CG 3.54Å |
| 156 | Y | 91.7 | Very high | 90 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 12% | 0.122 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.4 | -39.3 | 177.7 | 179.6 | -106.2 | 0 | 0 | 0 | 112.2 | G78 R80 G152 L153 I154 T158 G160 L332 I347 | G78-Y156 VanDerWaalsContact CA-OH 3.25Å; G78-Y156 WeakPolarHBondContact CA-OH 3.32Å; R80-Y156 HydrophobicContact CG-CD1 4Å; R80-Y156 HydrophobicContact CG-CD2 4.37Å; R80-Y156 HydrophobicContact CG-CE1 4.17Å; R80-Y156 HydrophobicContact CG-CG 4.1Å; G152-Y156 PolarHBondContact O-N 3.45Å; G152-Y156 VanDerWaalsContact O-N 3.15Å; L153-Y156 PolarHBondContact O-N 3.1Å; I154-Y156 VanDerWaalsContact C-N 3.31Å; I154-Y156 PolarHBondContact O-N 2.8Å; Y156-T158 PolarHBondContact O-N 3.36Å; Y156-G160 VanDerWaalsContact O-CA 3.3Å; Y156-G160 WeakPolarHBondContact O-CA 3.22Å; Y156-G160 PolarHBondContact O-N 3.2Å; Y156-L332 HydrophobicContact CD2-CD2 4.21Å; Y156-L332 HydrophobicContact CE2-CD2 4.19Å; Y156-I347 WeakPolarHBondContact OH-CD1 3.49Å |
| 157 | H | 91.5 | Very high | 89.5 | Confident | 35 Ų | 35 | 38.3 Ų | 38.3 | 16% | 0.162 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.4 | -41.4 | 175.7 | 168.1 | 94.1 | 0 | 0 | 0 | 111.7 | K74 L153 I154 | K74-H157 HydrophobicContact CD-CB 4.28Å; K74-H157 WeakPolarHBondContact CD-ND1 3.4Å; K74-H157 PolarHBondContact NZ-O 3.43Å; L153-H157 PolarHBondContact O-N 3.16Å; I154-H157 WeakPolarHBondContact O-CB 3.36Å; I154-H157 PolarHBondContact O-N 3.2Å |
| 158 | T | 90.2 | Very high | 89 | Confident | 41 Ų | 41 | 40.9 Ų | 40.9 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -79.6 | -47.8 | -178 | -54.7 | 0 | 0 | 0 | 0 | 113.2 | I154 L155 Y156 Y180 K184 | I154-T158 PolarHBondContact O-N 3.33Å; I154-T158 VanDerWaalsContact O-N 3.1Å; I154-T158 PolarHBondContact O-OG1 3.48Å; L155-T158 PolarHBondContact O-N 3.42Å; Y156-T158 PolarHBondContact O-N 3.36Å; T158-Y180 HydrophobicContact CG2-CD2 4.08Å; T158-Y180 HydrophobicContact CG2-CE2 3.84Å; T158-Y180 WeakPolarHBondContact OG1-CE2 3.39Å; T158-K184 HydrophobicContact CG2-CD 4.38Å; T158-K184 HydrophobicContact CG2-CG 3.78Å |
| 159 | Y | 90.6 | Very high | 88.4 | Confident | 13 Ų | 13 | 40.1 Ų | 40.1 | 5% | 0.051 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -108.4 | -2 | -169.2 | -65.3 | -49.4 | 0 | 0 | 0 | 114.9 | L155 Q161 C162 D163 P164 L176 F179 Y180 D183 | L155-Y159 HydrophobicContact CD2-CD2 4.38Å; L155-Y159 HydrophobicContact CD2-CE2 4.38Å; L155-Y159 PolarHBondContact O-N 3.13Å; Y159-Q161 PolarHBondContact O-N 3.35Å; Y159-C162 CarbonylContact O-C 3.58Å; Y159-C162 PolarHBondContact O-N 2.94Å; Y159-C162 VanDerWaalsContact O-N 3.13Å; Y159-D163 PolarHBondContact O-N 3.32Å; Y159-P164 HydrophobicContact CD1-CG 3.66Å; Y159-P164 HydrophobicContact CD2-CG 4.07Å; Y159-P164 HydrophobicContact CE1-CG 3.87Å; Y159-P164 HydrophobicContact CE2-CG 4.22Å; Y159-P164 HydrophobicContact CG-CG 3.79Å; Y159-L176 HydrophobicContact CD2-CD2 4.17Å; Y159-L176 HydrophobicContact CD2-CG 4.32Å; Y159-F179 HydrophobicContact CE1-CE1 4.21Å; Y159-F179 HydrophobicContact CE2-CD1 4.18Å; Y159-F179 AromaticContact CZ-CD1 3.85Å; Y159-F179 AromaticContact CZ-CE1 3.9Å; Y159-F179 WeakPolarHBondContact OH-CD1 3.45Å; Y159-Y180 AromaticContact CE2-CD2 3.8Å; Y159-Y180 HydrophobicContact CE2-CD2 3.8Å; Y159-Y180 HydrophobicContact CE2-CG 4.3Å; Y159-Y180 WeakPolarHBondContact OH-CA 3.48Å; Y159-D183 WeakPolarHBondContact CE1-OD2 3.33Å; Y159-D183 WeakPolarHBondContact OH-CB 3.33Å; Y159-D183 PolarHBondContact OH-OD2 3.16Å |
| 160 | G | 85.1 | Confident | 87.8 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y156 S333 L345 | Y156-G160 VanDerWaalsContact O-CA 3.3Å; Y156-G160 WeakPolarHBondContact O-CA 3.22Å; Y156-G160 PolarHBondContact O-N 3.2Å; G160-S333 PolarHBondContact O-N 3Å; G160-S333 VanDerWaalsContact O-N 3.16Å; G160-L345 WeakPolarHBondContact O-CD1 3.5Å |
| 161 | Q | 83.4 | Confident | 86.8 | Confident | 56 Ų | 56 | 39.9 Ų | 39.9 | 26% | 0.262 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -12.8 | 179.8 | -44.5 | -149.5 | -53.8 | 0 | 0 | 115.4 | Y159 S333 M334 D335 G336 A343 L345 | Y159-Q161 PolarHBondContact O-N 3.35Å; Q161-S333 CarbonylContact C-O 3.28Å; Q161-S333 CarbonylContact O-C 3.2Å; Q161-M334 CarbonylContact O-C 3.58Å; Q161-D335 PolarHBondContact O-N 3.24Å; Q161-G336 PolarHBondContact O-N 2.93Å; Q161-A343 PolarHBondContact NE2-O 3.09Å; Q161-A343 PolarHBondContact OE1-O 2.93Å; Q161-L345 VanDerWaalsContact CA-CD1 3.47Å; Q161-L345 HydrophobicContact CB-CD1 3.78Å; Q161-L345 HydrophobicContact CG-CD1 3.52Å; Q161-L345 VanDerWaalsContact NE2-N 3.2Å |
| 162 | C | 86 | Confident | 85.9 | Confident | 28 Ų | 28 | 41.2 Ų | 41.2 | 19% | 0.189 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -143.5 | 81 | 177.3 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | Y159 P164 S333 C337 | Y159-C162 CarbonylContact O-C 3.58Å; Y159-C162 PolarHBondContact O-N 2.94Å; Y159-C162 VanDerWaalsContact O-N 3.13Å; C162-P164 WeakPolarHBondContact O-CD 3.42Å; C162-S333 PolarHBondContact N-O 3.35Å; C162-C337 WeakPolarHBondContact CA-SG 3.4Å; C162-C337 HydrophobicContact CB-CB 4.14Å; C162-C337 WeakPolarHBondContact CB-SG 3.15Å; C162-C337 WeakPolarHBondContact SG-CA 3.41Å; C162-C337 WeakPolarHBondContact SG-CB 3.18Å; C162-C337 CovalentContact SG-SG 2.04Å; C162-C337 PolarHBondContact SG-SG 2.97Å |
| 163 | D | 86.4 | Confident | 85.1 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.043 | 24% | 0.239 | C | C | . | . | trans | -73.5 | 122.5 | -175.2 | -176.3 | -95.8 | 0 | 0 | 0 | 111.6 | Y159 T165 M166 R167 L332 S333 | Y159-D163 PolarHBondContact O-N 3.32Å; D163-T165 PolarHBondContact O-N 3.1Å; D163-T165 WeakPolarHBondContact OD1-CA 3.25Å; D163-T165 WeakPolarHBondContact OD1-CB 3.35Å; D163-T165 PolarHBondContact OD1-N 3.28Å; D163-T165 PolarHBondContact OD1-OG1 3.45Å; D163-T165 VanDerWaalsContact OD1-OG1 3.08Å; D163-M166 HydrophobicContact CB-CB 4.18Å; D163-M166 HydrophobicContact CB-CG 4.02Å; D163-M166 HydrophobicContact CB-SD 4.24Å; D163-M166 PolarHBondContact O-N 3.09Å; D163-M166 PolarHBondContact OD1-N 3.27Å; D163-R167 PolarHBondContact O-N 3.08Å; D163-L332 HydrophobicContact CB-CB 4.33Å; D163-L332 HydrophobicContact CB-CD1 4.42Å; D163-S333 PolarHBondContact N-O 3.38Å | ||
| 164 | P | 86.9 | Confident | 84.4 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -31.2 | 178.8 | -21.9 | 30 | 0 | 0 | 0 | 113.6 | Y159 C162 R167 G168 L169 T170 L176 F179 | Y159-P164 HydrophobicContact CD1-CG 3.66Å; Y159-P164 HydrophobicContact CD2-CG 4.07Å; Y159-P164 HydrophobicContact CE1-CG 3.87Å; Y159-P164 HydrophobicContact CE2-CG 4.22Å; Y159-P164 HydrophobicContact CG-CG 3.79Å; C162-P164 WeakPolarHBondContact O-CD 3.42Å; P164-R167 PolarHBondContact O-N 2.92Å; P164-G168 PolarHBondContact O-N 3.14Å; P164-L169 HydrophobicContact CB-CB 4.16Å; P164-L169 HydrophobicContact CB-CD1 4.4Å; P164-L169 WeakPolarHBondContact O-CB 3.47Å; P164-L169 PolarHBondContact O-N 3.01Å; P164-T170 HydrophobicContact CB-CG2 4.45Å; P164-T170 PolarHBondContact O-N 3.16Å; P164-L176 HydrophobicContact CB-CD1 4.49Å; P164-L176 HydrophobicContact CG-CD1 4.28Å; P164-F179 HydrophobicContact CB-CD1 4.01Å; P164-F179 HydrophobicContact CB-CE1 3.78Å; P164-F179 HydrophobicContact CB-CZ 4.39Å; P164-F179 HydrophobicContact CG-CD1 3.85Å; P164-F179 HydrophobicContact CG-CE1 3.68Å |
| 165 | T | 84.3 | Confident | 83.8 | Confident | 39 Ų | 39 | 45.7 Ų | 45.7 | 24% | 0.239 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -43.1 | -178.2 | -29.6 | 0 | 0 | 0 | 0 | 110.4 | D163 R167 G168 T170 L176 | D163-T165 PolarHBondContact O-N 3.1Å; D163-T165 WeakPolarHBondContact OD1-CA 3.25Å; D163-T165 WeakPolarHBondContact OD1-CB 3.35Å; D163-T165 PolarHBondContact OD1-N 3.28Å; D163-T165 PolarHBondContact OD1-OG1 3.45Å; D163-T165 VanDerWaalsContact OD1-OG1 3.08Å; T165-R167 VanDerWaalsContact C-N 3.26Å; T165-R167 PolarHBondContact O-N 3.28Å; T165-G168 PolarHBondContact O-N 3.42Å; T165-T170 WeakPolarHBondContact CA-OG1 3.32Å; T165-T170 WeakPolarHBondContact CG2-O 3.38Å; T165-T170 PolarHBondContact N-OG1 3.49Å; T165-T170 PolarHBondContact OG1-OG1 3.12Å; T165-L176 VanDerWaalsContact OG1-CD1 3.28Å; T165-L176 WeakPolarHBondContact OG1-CD1 3.41Å |
| 166 | M | 82.5 | Confident | 83.5 | Confident | 112 Ų | 112 | 45.9 Ų | 45.9 | 55% | 0.552 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -30.1 | 174.9 | -64.5 | -174.1 | 79.1 | 0 | 0 | 112.2 | D163 G168 L332 M334 | D163-M166 HydrophobicContact CB-CB 4.18Å; D163-M166 HydrophobicContact CB-CG 4.02Å; D163-M166 HydrophobicContact CB-SD 4.24Å; D163-M166 PolarHBondContact O-N 3.09Å; D163-M166 PolarHBondContact OD1-N 3.27Å; M166-G168 VanDerWaalsContact C-N 3.27Å; M166-G168 PolarHBondContact O-N 3.36Å; M166-L332 HydrophobicContact SD-CB 4.2Å; M166-M334 VanDerWaalsContact C-SD 3.57Å; M166-M334 HydrophobicContact CB-CG 3.81Å; M166-M334 HydrophobicContact CB-SD 3.54Å; M166-M334 VanDerWaalsContact CB-SD 3.54Å; M166-M334 HydrophobicContact CE-CG 4.44Å; M166-M334 HydrophobicContact SD-CG 4.35Å |
| 167 | R | 81.8 | Confident | 83.4 | Confident | 135 Ų | 135 | 46.1 Ų | 46.1 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -10.7 | 171.2 | -72.7 | -171.1 | 68.8 | 166.9 | 0.9 | 114.5 | D163 P164 T165 L169 M334 | D163-R167 PolarHBondContact O-N 3.08Å; P164-R167 PolarHBondContact O-N 2.92Å; T165-R167 VanDerWaalsContact C-N 3.26Å; T165-R167 PolarHBondContact O-N 3.28Å; R167-L169 VanDerWaalsContact C-N 3.3Å; R167-L169 HydrophobicContact CB-CD1 4.23Å; R167-L169 HydrophobicContact CB-CG 4.09Å; R167-M334 HydrophobicContact CB-SD 4.26Å; R167-M334 HydrophobicContact CG-CE 4.07Å; R167-M334 HydrophobicContact CG-SD 3.36Å; R167-M334 WeakPolarHBondContact CG-SD 3.46Å |
| 168 | G | 80.4 | Confident | 83.2 | Confident | 62 Ų | 62 | 44.7 Ų | 44.7 | 64% | 0.639 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 14.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | P164 T165 M166 | P164-G168 PolarHBondContact O-N 3.14Å; T165-G168 PolarHBondContact O-N 3.42Å; M166-G168 VanDerWaalsContact C-N 3.27Å; M166-G168 PolarHBondContact O-N 3.36Å |
| 169 | L | 80.7 | Confident | 83.1 | Confident | 97 Ų | 97 | 44.8 Ų | 44.8 | 51% | 0.508 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -73.5 | -31.7 | 173.5 | -65.3 | 170.6 | 0 | 0 | 0 | 111.6 | P164 R167 F179 | P164-L169 HydrophobicContact CB-CB 4.16Å; P164-L169 HydrophobicContact CB-CD1 4.4Å; P164-L169 WeakPolarHBondContact O-CB 3.47Å; P164-L169 PolarHBondContact O-N 3.01Å; R167-L169 VanDerWaalsContact C-N 3.3Å; R167-L169 HydrophobicContact CB-CD1 4.23Å; R167-L169 HydrophobicContact CB-CG 4.09Å; L169-F179 HydrophobicContact CB-CE2 4.47Å; L169-F179 HydrophobicContact CB-CZ 4.38Å; L169-F179 HydrophobicContact CD1-CZ 4.2Å |
| 170 | T | 77.9 | Confident | 83.1 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | trans | -121.8 | 140.6 | 173.1 | 49.8 | 0 | 0 | 0 | 0 | 110.2 | P164 T165 Q175 F179 | P164-T170 HydrophobicContact CB-CG2 4.45Å; P164-T170 PolarHBondContact O-N 3.16Å; T165-T170 WeakPolarHBondContact CA-OG1 3.32Å; T165-T170 WeakPolarHBondContact CG2-O 3.38Å; T165-T170 PolarHBondContact N-OG1 3.49Å; T165-T170 PolarHBondContact OG1-OG1 3.12Å; T170-Q175 HydrophobicContact CG2-CB 4.01Å; T170-F179 HydrophobicContact CG2-CB 3.87Å; T170-F179 HydrophobicContact CG2-CD1 4.5Å; T170-F179 HydrophobicContact CG2-CD2 3.95Å; T170-F179 HydrophobicContact CG2-CG 3.84Å | ||
| 171 | S | 74.5 | Confident | 83.4 | Confident | 99 Ų | 99 | 44.1 Ų | 44.1 | 69% | 0.692 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -90.3 | -23.2 | -175.1 | 37.7 | 0 | 0 | 0 | 0 | 113.3 | Q175 | S171-Q175 PolarHBondContact OG-OE1 2.79Å; S171-Q175 VanDerWaalsContact OG-OE1 3.1Å |
| 172 | K | 74.7 | Confident | 83.5 | Confident | 32 Ų | 32 | 43.5 Ų | 43.5 | 14% | 0.139 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -136.1 | 146.4 | 175.5 | -69.5 | -171.7 | 175.2 | -178 | 0 | 110.8 | Y2 L6 D174 Q175 V265 | Y2-K172 PolarHBondContact OH-NZ 3.5Å; L6-K172 HydrophobicContact CD2-CB 4.23Å; L6-K172 HydrophobicContact CD2-CD 4.01Å; K172-D174 PolarHBondContact O-N 3.31Å; K172-D174 VanDerWaalsContact O-N 3.1Å; K172-Q175 WeakPolarHBondContact O-CB 3.3Å; K172-Q175 PolarHBondContact O-N 3.28Å; K172-V265 PolarHBondContact NZ-O 3.13Å |
| 173 | P | 77 | Confident | 83.6 | Confident | 67 Ų | 67 | 44.6 Ų | 44.6 | 44% | 0.435 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -60.2 | -23.4 | 177.3 | 13.8 | -20.8 | 0 | 0 | 0 | 113.3 | Q175 L176 M329 | P173-Q175 PolarHBondContact O-N 2.99Å; P173-Q175 VanDerWaalsContact O-N 3.16Å; P173-L176 WeakPolarHBondContact O-CB 3.22Å; P173-L176 PolarHBondContact O-N 3.14Å; P173-M329 HydrophobicContact CB-CE 4.43Å; P173-M329 HydrophobicContact CG-CE 4.23Å |
| 174 | D | 77.8 | Confident | 83.7 | Confident | 59 Ų | 59 | 47.8 Ų | 47.8 | 32% | 0.316 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -65.3 | -13.5 | 175.4 | -59 | -45.2 | 0 | 0 | 0 | 113.3 | L6 K172 V269 | L6-D174 HydrophobicContact CD2-CB 4.4Å; K172-D174 PolarHBondContact O-N 3.31Å; K172-D174 VanDerWaalsContact O-N 3.1Å; D174-V269 PolarHBondContact OD2-N 2.93Å |
| 175 | Q | 82.7 | Confident | 83.7 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -88.7 | -7.3 | 177.3 | -66.7 | 176.9 | -34.6 | 0 | 0 | 113.9 | L6 T170 S171 K172 P173 L177 P178 F179 | L6-Q175 HydrophobicContact CD1-CG 4.44Å; L6-Q175 VanDerWaalsContact CD1-NE2 3.27Å; L6-Q175 HydrophobicContact CD2-CG 3.95Å; L6-Q175 HydrophobicContact CG-CG 3.79Å; T170-Q175 HydrophobicContact CG2-CB 4.01Å; S171-Q175 PolarHBondContact OG-OE1 2.79Å; S171-Q175 VanDerWaalsContact OG-OE1 3.1Å; K172-Q175 WeakPolarHBondContact O-CB 3.3Å; K172-Q175 PolarHBondContact O-N 3.28Å; P173-Q175 PolarHBondContact O-N 2.99Å; P173-Q175 VanDerWaalsContact O-N 3.16Å; Q175-L177 PolarHBondContact O-N 3.33Å; Q175-P178 VanDerWaalsContact O-CD 3.29Å; Q175-P178 WeakPolarHBondContact O-CD 3.42Å; Q175-F179 VanDerWaalsContact O-CB 3.26Å; Q175-F179 WeakPolarHBondContact O-CB 3.32Å; Q175-F179 PolarHBondContact O-N 3.24Å |
| 176 | L | 87.5 | Confident | 83.6 | Confident | 25 Ų | 25 | 52.2 Ų | 52.2 | 13% | 0.131 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.8 | -42.1 | -171.1 | -136.9 | 86.4 | 0 | 0 | 0 | 113.2 | L155 Y159 P164 T165 P173 F179 Y180 | L155-L176 HydrophobicContact CB-CD2 4.47Å; Y159-L176 HydrophobicContact CD2-CD2 4.17Å; Y159-L176 HydrophobicContact CD2-CG 4.32Å; P164-L176 HydrophobicContact CB-CD1 4.49Å; P164-L176 HydrophobicContact CG-CD1 4.28Å; T165-L176 VanDerWaalsContact OG1-CD1 3.28Å; T165-L176 WeakPolarHBondContact OG1-CD1 3.41Å; P173-L176 WeakPolarHBondContact O-CB 3.22Å; P173-L176 PolarHBondContact O-N 3.14Å; L176-F179 PolarHBondContact O-N 3.2Å; L176-Y180 WeakPolarHBondContact O-CB 3.38Å; L176-Y180 PolarHBondContact O-N 3.04Å |
| 177 | L | 89.2 | Confident | 83.6 | Confident | 37 Ų | 37 | 52.4 Ų | 52.4 | 19% | 0.194 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.6 | -47.6 | 179.9 | -174.9 | 63.1 | 0 | 0 | 0 | 112.5 | L155 Q175 F179 Y180 V181 F195 | L155-L177 HydrophobicContact CD1-CB 3.96Å; L155-L177 HydrophobicContact CD1-CD1 3.95Å; L155-L177 HydrophobicContact CD2-CD1 4.07Å; L155-L177 HydrophobicContact CG-CD1 4.14Å; Q175-L177 PolarHBondContact O-N 3.33Å; L177-F179 VanDerWaalsContact C-N 3.31Å; L177-F179 PolarHBondContact O-N 3.38Å; L177-Y180 HydrophobicContact CD1-CD1 4.44Å; L177-Y180 WeakPolarHBondContact O-CB 3.37Å; L177-Y180 PolarHBondContact O-N 3.34Å; L177-V181 WeakPolarHBondContact O-CG2 3.42Å; L177-V181 PolarHBondContact O-N 3.04Å; L177-V181 VanDerWaalsContact O-N 3.11Å; L177-F195 HydrophobicContact CB-CZ 4.42Å; L177-F195 HydrophobicContact CD2-CE2 3.69Å; L177-F195 HydrophobicContact CD2-CZ 3.62Å; L177-F195 HydrophobicContact CG-CE1 4.49Å; L177-F195 HydrophobicContact CG-CE2 3.98Å; L177-F195 HydrophobicContact CG-CZ 3.59Å |
| 178 | P | 88.1 | Confident | 83.5 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.1 | -47.3 | 169.4 | -23 | 28.7 | 0 | 0 | 0 | 112.4 | A7 V11 Q175 Y180 V181 A182 F195 | A7-P178 HydrophobicContact CB-CB 4.26Å; A7-P178 HydrophobicContact CB-CG 3.51Å; V11-P178 VanDerWaalsContact CG1-C 3.42Å; V11-P178 HydrophobicContact CG1-CB 3.61Å; V11-P178 WeakPolarHBondContact CG1-O 3.39Å; Q175-P178 VanDerWaalsContact O-CD 3.29Å; Q175-P178 WeakPolarHBondContact O-CD 3.42Å; P178-Y180 VanDerWaalsContact C-N 3.33Å; P178-Y180 PolarHBondContact O-N 3.35Å; P178-V181 PolarHBondContact O-N 3.3Å; P178-A182 PolarHBondContact O-N 2.85Å; P178-A182 VanDerWaalsContact O-N 3.09Å; P178-F195 HydrophobicContact CB-CE1 4.46Å; P178-F195 HydrophobicContact CG-CE1 4.36Å |
| 179 | F | 88.1 | Confident | 83.5 | Confident | 43 Ų | 43 | 50.4 Ų | 50.4 | 19% | 0.189 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59 | -43 | 178.4 | -177.7 | -98.4 | 0 | 0 | 0 | 111.9 | Y159 P164 L169 T170 Q175 L176 L177 V181 A182 D183 | Y159-F179 HydrophobicContact CE1-CE1 4.21Å; Y159-F179 HydrophobicContact CE2-CD1 4.18Å; Y159-F179 AromaticContact CZ-CD1 3.85Å; Y159-F179 AromaticContact CZ-CE1 3.9Å; Y159-F179 WeakPolarHBondContact OH-CD1 3.45Å; P164-F179 HydrophobicContact CB-CD1 4.01Å; P164-F179 HydrophobicContact CB-CE1 3.78Å; P164-F179 HydrophobicContact CB-CZ 4.39Å; P164-F179 HydrophobicContact CG-CD1 3.85Å; P164-F179 HydrophobicContact CG-CE1 3.68Å; L169-F179 HydrophobicContact CB-CE2 4.47Å; L169-F179 HydrophobicContact CB-CZ 4.38Å; L169-F179 HydrophobicContact CD1-CZ 4.2Å; T170-F179 HydrophobicContact CG2-CB 3.87Å; T170-F179 HydrophobicContact CG2-CD1 4.5Å; T170-F179 HydrophobicContact CG2-CD2 3.95Å; T170-F179 HydrophobicContact CG2-CG 3.84Å; Q175-F179 VanDerWaalsContact O-CB 3.26Å; Q175-F179 WeakPolarHBondContact O-CB 3.32Å; Q175-F179 PolarHBondContact O-N 3.24Å; L176-F179 PolarHBondContact O-N 3.2Å; L177-F179 VanDerWaalsContact C-N 3.31Å; L177-F179 PolarHBondContact O-N 3.38Å; F179-V181 PolarHBondContact O-N 3.25Å; F179-A182 PolarHBondContact O-N 2.86Å; F179-D183 HydrophobicContact CD1-CB 4.44Å; F179-D183 HydrophobicContact CE1-CB 4.12Å; F179-D183 HydrophobicContact CZ-CB 4.33Å; F179-D183 VanDerWaalsContact O-CB 3.28Å; F179-D183 WeakPolarHBondContact O-CB 3.26Å; F179-D183 PolarHBondContact O-N 3.43Å |
| 180 | Y | 90.8 | Very high | 83.6 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58 | -45.8 | 175.5 | 177.3 | -111 | 0 | 0 | 0 | 113.3 | I154 L155 T158 Y159 L176 L177 P178 A182 D183 K184 L185 | I154-Y180 HydrophobicContact CG2-CE1 3.79Å; I154-Y180 HydrophobicContact CG2-CE2 4.36Å; I154-Y180 VanDerWaalsContact CG2-OH 3.3Å; I154-Y180 WeakPolarHBondContact CG2-OH 3.41Å; L155-Y180 HydrophobicContact CD2-CD1 4.02Å; L155-Y180 HydrophobicContact CD2-CD2 4.1Å; L155-Y180 HydrophobicContact CD2-CG 3.54Å; T158-Y180 HydrophobicContact CG2-CD2 4.08Å; T158-Y180 HydrophobicContact CG2-CE2 3.84Å; T158-Y180 WeakPolarHBondContact OG1-CE2 3.39Å; Y159-Y180 AromaticContact CE2-CD2 3.8Å; Y159-Y180 HydrophobicContact CE2-CD2 3.8Å; Y159-Y180 HydrophobicContact CE2-CG 4.3Å; Y159-Y180 WeakPolarHBondContact OH-CA 3.48Å; L176-Y180 WeakPolarHBondContact O-CB 3.38Å; L176-Y180 PolarHBondContact O-N 3.04Å; L177-Y180 HydrophobicContact CD1-CD1 4.44Å; L177-Y180 WeakPolarHBondContact O-CB 3.37Å; L177-Y180 PolarHBondContact O-N 3.34Å; P178-Y180 VanDerWaalsContact C-N 3.33Å; P178-Y180 PolarHBondContact O-N 3.35Å; Y180-A182 VanDerWaalsContact C-N 3.27Å; Y180-A182 PolarHBondContact O-N 3.4Å; Y180-D183 PolarHBondContact O-N 3.33Å; Y180-K184 HydrophobicContact CD2-CB 3.93Å; Y180-K184 HydrophobicContact CD2-CG 3.84Å; Y180-K184 HydrophobicContact CE2-CB 3.59Å; Y180-K184 HydrophobicContact CE2-CG 3.7Å; Y180-K184 PolarHBondContact O-N 2.93Å; Y180-L185 HydrophobicContact CD1-CD1 4.11Å; Y180-L185 HydrophobicContact CD1-CG 4.46Å; Y180-L185 HydrophobicContact CE1-CD1 3.57Å; Y180-L185 HydrophobicContact CE1-CD2 4.44Å; Y180-L185 HydrophobicContact CE1-CG 3.91Å |
| 181 | V | 90 | Very high | 84 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.2 | -37 | -179.7 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | V57 L177 P178 F179 L185 H186 F195 | V57-V181 HydrophobicContact CG1-CG2 3.9Å; V57-V181 HydrophobicContact CG2-CG2 3.99Å; L177-V181 WeakPolarHBondContact O-CG2 3.42Å; L177-V181 PolarHBondContact O-N 3.04Å; L177-V181 VanDerWaalsContact O-N 3.11Å; P178-V181 PolarHBondContact O-N 3.3Å; F179-V181 PolarHBondContact O-N 3.25Å; V181-L185 HydrophobicContact CG2-CD1 4.46Å; V181-L185 CarbonylContact O-C 3.33Å; V181-L185 PolarHBondContact O-N 2.75Å; V181-H186 PolarHBondContact O-N 3.4Å; V181-F195 HydrophobicContact CB-CD1 4.27Å; V181-F195 HydrophobicContact CG1-CB 4.33Å; V181-F195 HydrophobicContact CG1-CD1 4.27Å; V181-F195 HydrophobicContact CG1-CG 4.47Å; V181-F195 HydrophobicContact CG2-CD1 3.92Å; V181-F195 HydrophobicContact CG2-CD2 4.47Å; V181-F195 HydrophobicContact CG2-CE1 4.17Å; V181-F195 HydrophobicContact CG2-CG 4.08Å |
| 182 | A | 85.9 | Confident | 84.5 | Confident | 42 Ų | 42 | 45.5 Ų | 45.5 | 35% | 0.347 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -76.5 | -37.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | V11 P178 F179 Y180 H186 | V11-A182 HydrophobicContact CB-CB 4.23Å; V11-A182 HydrophobicContact CG1-CB 3.78Å; P178-A182 PolarHBondContact O-N 2.85Å; P178-A182 VanDerWaalsContact O-N 3.09Å; F179-A182 PolarHBondContact O-N 2.86Å; Y180-A182 VanDerWaalsContact C-N 3.27Å; Y180-A182 PolarHBondContact O-N 3.4Å; A182-H186 WeakPolarHBondContact O-CB 3.26Å |
| 183 | D | 88 | Confident | 85 | Confident | 51 Ų | 51 | 45.8 Ų | 45.8 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -79.9 | -55 | -178 | 171.5 | 30.5 | 0 | 0 | 0 | 111.3 | Y159 F179 Y180 H186 | Y159-D183 WeakPolarHBondContact CE1-OD2 3.33Å; Y159-D183 WeakPolarHBondContact OH-CB 3.33Å; Y159-D183 PolarHBondContact OH-OD2 3.16Å; F179-D183 HydrophobicContact CD1-CB 4.44Å; F179-D183 HydrophobicContact CE1-CB 4.12Å; F179-D183 HydrophobicContact CZ-CB 4.33Å; F179-D183 VanDerWaalsContact O-CB 3.28Å; F179-D183 WeakPolarHBondContact O-CB 3.26Å; F179-D183 PolarHBondContact O-N 3.43Å; Y180-D183 PolarHBondContact O-N 3.33Å; D183-H186 PolarHBondContact O-CE1 3.13Å; D183-H186 PolarHBondContact O-ND1 3.07Å |
| 184 | K | 88.6 | Confident | 85.5 | Confident | 76 Ų | 76 | 44.3 Ų | 44.3 | 33% | 0.33 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -23.6 | -169.9 | -61.5 | -48.7 | -178.9 | -139.5 | 0 | 115.4 | T158 Y180 Y187 | T158-K184 HydrophobicContact CG2-CD 4.38Å; T158-K184 HydrophobicContact CG2-CG 3.78Å; Y180-K184 HydrophobicContact CD2-CB 3.93Å; Y180-K184 HydrophobicContact CD2-CG 3.84Å; Y180-K184 HydrophobicContact CE2-CB 3.59Å; Y180-K184 HydrophobicContact CE2-CG 3.7Å; Y180-K184 PolarHBondContact O-N 2.93Å; K184-Y187 WeakPolarHBondContact O-CD1 3.45Å |
| 185 | L | 87.9 | Confident | 86 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -110.8 | 15.2 | -174.8 | -54.5 | -179.6 | 0 | 0 | 0 | 113.4 | V57 N64 Y180 V181 Y187 A188 L191 | V57-L185 HydrophobicContact CG1-CD1 3.87Å; N64-L185 HydrophobicContact CB-CD2 4.47Å; Y180-L185 HydrophobicContact CD1-CD1 4.11Å; Y180-L185 HydrophobicContact CD1-CG 4.46Å; Y180-L185 HydrophobicContact CE1-CD1 3.57Å; Y180-L185 HydrophobicContact CE1-CD2 4.44Å; Y180-L185 HydrophobicContact CE1-CG 3.91Å; V181-L185 HydrophobicContact CG2-CD1 4.46Å; V181-L185 CarbonylContact O-C 3.33Å; V181-L185 PolarHBondContact O-N 2.75Å; L185-Y187 HydrophobicContact CD2-CE1 3.87Å; L185-Y187 PolarHBondContact O-N 3.22Å; L185-Y187 VanDerWaalsContact O-N 3.17Å; L185-A188 PolarHBondContact O-N 3.02Å; L185-L191 HydrophobicContact CB-CD2 3.83Å; L185-L191 HydrophobicContact CD1-CD2 3.74Å; L185-L191 HydrophobicContact CG-CD2 4.36Å |
| 186 | H | 80.8 | Confident | 86.1 | Confident | 134 Ų | 134 | 42.7 Ų | 42.7 | 62% | 0.62 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.7 | 177.2 | 67.8 | -90.5 | 0 | 0 | 0 | 113.4 | V181 A182 D183 A188 | V181-H186 PolarHBondContact O-N 3.4Å; A182-H186 WeakPolarHBondContact O-CB 3.26Å; D183-H186 PolarHBondContact O-CE1 3.13Å; D183-H186 PolarHBondContact O-ND1 3.07Å; H186-A188 PolarHBondContact O-N 2.64Å |
| 187 | Y | 83.2 | Confident | 86.1 | Confident | 116 Ų | 116 | 44.3 Ų | 44.3 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -27.8 | 175 | 74.7 | -95.4 | 0 | 0 | 0 | 112.7 | S60 K184 L185 I189 | S60-Y187 PolarHBondContact O-OH 3.43Å; K184-Y187 WeakPolarHBondContact O-CD1 3.45Å; L185-Y187 HydrophobicContact CD2-CE1 3.87Å; L185-Y187 PolarHBondContact O-N 3.22Å; L185-Y187 VanDerWaalsContact O-N 3.17Å; Y187-I189 PolarHBondContact O-N 3.35Å; Y187-I189 VanDerWaalsContact O-N 3.1Å |
| 188 | A | 79.9 | Confident | 86 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 17% | 0.165 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -84.8 | 84.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L185 H186 G190 L191 | L185-A188 PolarHBondContact O-N 3.02Å; H186-A188 PolarHBondContact O-N 2.64Å; A188-G190 PolarHBondContact O-N 3.36Å; A188-L191 HydrophobicContact CB-CB 3.72Å; A188-L191 HydrophobicContact CB-CD2 3.85Å; A188-L191 HydrophobicContact CB-CG 4.41Å; A188-L191 WeakPolarHBondContact O-CB 3.32Å; A188-L191 PolarHBondContact O-N 2.91Å |
| 189 | I | 79.5 | Confident | 85.8 | Confident | 136 Ų | 136 | 44.9 Ų | 44.9 | 70% | 0.697 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 124.5 | -179.3 | -59.5 | 172 | 0 | 0 | 0 | 109.6 | Y187 L191 | Y187-I189 PolarHBondContact O-N 3.35Å; Y187-I189 VanDerWaalsContact O-N 3.1Å; I189-L191 PolarHBondContact O-N 2.82Å |
| 190 | G | 84.1 | Confident | 85.7 | Confident | 34 Ų | 34 | 44.4 Ų | 44.4 | 35% | 0.351 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -18.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | A188 S192 G193 L194 | A188-G190 PolarHBondContact O-N 3.36Å; G190-S192 PolarHBondContact O-N 3.39Å; G190-G193 PolarHBondContact O-N 3.42Å; G190-L194 PolarHBondContact O-N 3.41Å |
| 191 | L | 86.2 | Confident | 85.4 | Confident | 13 Ų | 13 | 44.5 Ų | 44.5 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.1 | -43.4 | -177.6 | -175.8 | 70.1 | 0 | 0 | 0 | 112.6 | A56 V57 L185 A188 I189 G193 L194 F195 | A56-L191 HydrophobicContact CB-CD1 3.25Å; V57-L191 HydrophobicContact CG2-CD1 4.09Å; V57-L191 HydrophobicContact CG2-CD2 4.28Å; V57-L191 HydrophobicContact CG2-CG 4.1Å; L185-L191 HydrophobicContact CB-CD2 3.83Å; L185-L191 HydrophobicContact CD1-CD2 3.74Å; L185-L191 HydrophobicContact CG-CD2 4.36Å; A188-L191 HydrophobicContact CB-CB 3.72Å; A188-L191 HydrophobicContact CB-CD2 3.85Å; A188-L191 HydrophobicContact CB-CG 4.41Å; A188-L191 WeakPolarHBondContact O-CB 3.32Å; A188-L191 PolarHBondContact O-N 2.91Å; I189-L191 PolarHBondContact O-N 2.82Å; L191-G193 VanDerWaalsContact C-N 3.3Å; L191-G193 PolarHBondContact O-N 3.2Å; L191-L194 PolarHBondContact O-N 3.21Å; L191-F195 WeakPolarHBondContact O-CB 3.47Å; L191-F195 PolarHBondContact O-N 3.29Å |
| 192 | S | 84.5 | Confident | 85.1 | Confident | 50 Ų | 50 | 46.3 Ų | 46.3 | 35% | 0.35 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 175.6 | 37.9 | 0 | 0 | 0 | 0 | 111.7 | G190 V196 | G190-S192 PolarHBondContact O-N 3.39Å; S192-V196 WeakPolarHBondContact O-CB 3.37Å; S192-V196 VanDerWaalsContact O-CG2 3.23Å; S192-V196 WeakPolarHBondContact O-CG2 3.46Å; S192-V196 PolarHBondContact O-N 3.1Å |
| 193 | G | 85.2 | Confident | 85.1 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 40% | 0.402 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G190 L191 V196 S197 | G190-G193 PolarHBondContact O-N 3.42Å; L191-G193 VanDerWaalsContact C-N 3.3Å; L191-G193 PolarHBondContact O-N 3.2Å; G193-V196 PolarHBondContact O-N 3.38Å; G193-S197 VanDerWaalsContact O-CB 3.3Å; G193-S197 WeakPolarHBondContact O-CB 3.39Å; G193-S197 PolarHBondContact O-N 3.33Å; G193-S197 PolarHBondContact O-OG 2.93Å |
| 194 | L | 87.6 | Confident | 85 | Confident | 36 Ų | 36 | 43.7 Ų | 43.7 | 19% | 0.188 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 178 | -174.5 | 67.5 | 0 | 0 | 0 | 111.7 | L49 A56 G190 L191 S197 G198 | L49-L194 HydrophobicContact CD2-CD1 4.16Å; A56-L194 HydrophobicContact CB-CD2 3.94Å; G190-L194 PolarHBondContact O-N 3.41Å; L191-L194 PolarHBondContact O-N 3.21Å; L194-S197 WeakPolarHBondContact O-CB 3.2Å; L194-S197 PolarHBondContact O-N 2.96Å; L194-G198 PolarHBondContact O-N 3.41Å |
| 195 | F | 87.7 | Confident | 85 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.035 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62 | -50.9 | 176.3 | 173.9 | -105.7 | 0 | 0 | 0 | 111.8 | L54 V57 L177 P178 V181 L191 S197 G198 L199 | L54-F195 HydrophobicContact CD2-CE2 4.46Å; V57-F195 HydrophobicContact CG2-CB 3.89Å; V57-F195 HydrophobicContact CG2-CD2 3.81Å; V57-F195 HydrophobicContact CG2-CG 4.06Å; L177-F195 HydrophobicContact CB-CZ 4.42Å; L177-F195 HydrophobicContact CD2-CE2 3.69Å; L177-F195 HydrophobicContact CD2-CZ 3.62Å; L177-F195 HydrophobicContact CG-CE1 4.49Å; L177-F195 HydrophobicContact CG-CE2 3.98Å; L177-F195 HydrophobicContact CG-CZ 3.59Å; P178-F195 HydrophobicContact CB-CE1 4.46Å; P178-F195 HydrophobicContact CG-CE1 4.36Å; V181-F195 HydrophobicContact CB-CD1 4.27Å; V181-F195 HydrophobicContact CG1-CB 4.33Å; V181-F195 HydrophobicContact CG1-CD1 4.27Å; V181-F195 HydrophobicContact CG1-CG 4.47Å; V181-F195 HydrophobicContact CG2-CD1 3.92Å; V181-F195 HydrophobicContact CG2-CD2 4.47Å; V181-F195 HydrophobicContact CG2-CE1 4.17Å; V181-F195 HydrophobicContact CG2-CG 4.08Å; L191-F195 WeakPolarHBondContact O-CB 3.47Å; L191-F195 PolarHBondContact O-N 3.29Å; F195-S197 VanDerWaalsContact C-N 3.26Å; F195-S197 PolarHBondContact O-N 2.84Å; F195-G198 PolarHBondContact O-N 2.94Å; F195-G198 VanDerWaalsContact O-N 3.17Å; F195-L199 HydrophobicContact CE1-CD1 3.65Å; F195-L199 HydrophobicContact CE2-CD1 4.06Å; F195-L199 HydrophobicContact CZ-CD1 3.35Å; F195-L199 WeakPolarHBondContact O-CB 3.31Å; F195-L199 PolarHBondContact O-N 3.44Å |
| 196 | V | 84.8 | Confident | 84.9 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.1 | -38.5 | 177.3 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | L8 V11 S192 G193 L199 Y200 | L8-V196 HydrophobicContact CD1-CG1 3.49Å; L8-V196 VanDerWaalsContact CD1-CG1 3.49Å; V11-V196 HydrophobicContact CG2-CG2 3.85Å; S192-V196 WeakPolarHBondContact O-CB 3.37Å; S192-V196 VanDerWaalsContact O-CG2 3.23Å; S192-V196 WeakPolarHBondContact O-CG2 3.46Å; S192-V196 PolarHBondContact O-N 3.1Å; G193-V196 PolarHBondContact O-N 3.38Å; V196-L199 PolarHBondContact O-N 2.92Å; V196-Y200 HydrophobicContact CG1-CD2 4.27Å; V196-Y200 PolarHBondContact O-N 3.41Å |
| 197 | S | 87 | Confident | 85.2 | Confident | 58 Ų | 58 | 39.7 Ų | 39.7 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.2 | -44 | 175.6 | -59 | 0 | 0 | 0 | 0 | 112 | G193 L194 F195 L199 G201 | G193-S197 VanDerWaalsContact O-CB 3.3Å; G193-S197 WeakPolarHBondContact O-CB 3.39Å; G193-S197 PolarHBondContact O-N 3.33Å; G193-S197 PolarHBondContact O-OG 2.93Å; L194-S197 WeakPolarHBondContact O-CB 3.2Å; L194-S197 PolarHBondContact O-N 2.96Å; F195-S197 VanDerWaalsContact C-N 3.26Å; F195-S197 PolarHBondContact O-N 2.84Å; S197-L199 VanDerWaalsContact C-N 3.33Å; S197-L199 PolarHBondContact O-N 3.32Å; S197-G201 PolarHBondContact O-N 2.92Å |
| 198 | G | 88 | Confident | 85.3 | Confident | 5 Ų | 5 | 34.1 Ų | 34.1 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.9 | -44 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I50 L194 F195 Y200 G201 A202 | I50-G198 WeakPolarHBondContact CG1-O 3.5Å; L194-G198 PolarHBondContact O-N 3.41Å; F195-G198 PolarHBondContact O-N 2.94Å; F195-G198 VanDerWaalsContact O-N 3.17Å; G198-Y200 PolarHBondContact O-N 3.37Å; G198-G201 PolarHBondContact O-N 3.34Å; G198-A202 PolarHBondContact O-N 3.49Å |
| 199 | L | 84.8 | Confident | 85.6 | Confident | 48 Ų | 48 | 33.8 Ų | 33.8 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.1 | -41 | -178.2 | -148.1 | 137 | 0 | 0 | 0 | 112.4 | P4 A7 F195 V196 S197 G203 | P4-L199 HydrophobicContact CB-CD2 3.91Å; A7-L199 HydrophobicContact CB-CD1 4.33Å; A7-L199 HydrophobicContact CB-CD2 3.55Å; F195-L199 HydrophobicContact CE1-CD1 3.65Å; F195-L199 HydrophobicContact CE2-CD1 4.06Å; F195-L199 HydrophobicContact CZ-CD1 3.35Å; F195-L199 WeakPolarHBondContact O-CB 3.31Å; F195-L199 PolarHBondContact O-N 3.44Å; V196-L199 PolarHBondContact O-N 2.92Å; S197-L199 VanDerWaalsContact C-N 3.33Å; S197-L199 PolarHBondContact O-N 3.32Å; L199-G203 PolarHBondContact O-N 2.92Å |
| 200 | Y | 84.6 | Confident | 86 | Confident | 33 Ų | 33 | 28.1 Ų | 28.1 | 13% | 0.129 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.9 | -38.5 | 171 | -96.2 | -105.8 | 0 | 0 | 0 | 112.7 | P4 L8 T23 V196 G198 A202 G203 L204 | P4-Y200 HydrophobicContact CB-CD2 3.99Å; P4-Y200 HydrophobicContact CB-CE2 3.85Å; P4-Y200 HydrophobicContact CB-CG 4.44Å; P4-Y200 WeakPolarHBondContact O-CE2 3.47Å; L8-Y200 HydrophobicContact CB-CE2 4.01Å; L8-Y200 HydrophobicContact CD1-CE2 4.39Å; L8-Y200 HydrophobicContact CD2-CE2 4.02Å; L8-Y200 WeakPolarHBondContact CD2-OH 3.39Å; L8-Y200 HydrophobicContact CG-CE2 4.37Å; T23-Y200 HydrophobicContact CG2-CD1 4.11Å; T23-Y200 HydrophobicContact CG2-CE1 3.89Å; T23-Y200 WeakPolarHBondContact OG1-CE1 3.29Å; T23-Y200 PolarHBondContact OG1-OH 3.27Å; V196-Y200 HydrophobicContact CG1-CD2 4.27Å; V196-Y200 PolarHBondContact O-N 3.41Å; G198-Y200 PolarHBondContact O-N 3.37Å; Y200-A202 VanDerWaalsContact C-N 3.3Å; Y200-A202 PolarHBondContact O-N 3.49Å; Y200-G203 PolarHBondContact O-N 3.48Å; Y200-L204 WeakPolarHBondContact O-CB 3.33Å; Y200-L204 VanDerWaalsContact O-CG 3.3Å; Y200-L204 WeakPolarHBondContact O-CG 3.44Å; Y200-L204 PolarHBondContact O-N 3.35Å |
| 201 | G | 84.8 | Confident | 86.2 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57 | -44.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q46 S197 G198 S205 | Q46-G201 PolarHBondContact OE1-O 2.89Å; S197-G201 PolarHBondContact O-N 2.92Å; G198-G201 PolarHBondContact O-N 3.34Å; G201-S205 VanDerWaalsContact O-CB 3.32Å; G201-S205 WeakPolarHBondContact O-CB 3.5Å; G201-S205 PolarHBondContact O-N 2.9Å |
| 202 | A | 84.9 | Confident | 86.2 | Confident | 39 Ų | 39 | 26.6 Ų | 26.6 | 32% | 0.322 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.6 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I50 G198 Y200 T206 | I50-A202 HydrophobicContact CD1-CB 3.7Å; I50-A202 HydrophobicContact CG1-CB 4.07Å; G198-A202 PolarHBondContact O-N 3.49Å; Y200-A202 VanDerWaalsContact C-N 3.3Å; Y200-A202 PolarHBondContact O-N 3.49Å; A202-T206 PolarHBondContact O-N 2.83Å; A202-T206 PolarHBondContact O-OG1 3.47Å |
| 203 | G | 86.1 | Confident | 86.4 | Confident | 13 Ų | 13 | 24.5 Ų | 24.5 | 13% | 0.134 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L199 Y200 T206 L207 | L199-G203 PolarHBondContact O-N 2.92Å; Y200-G203 PolarHBondContact O-N 3.48Å; G203-T206 PolarHBondContact O-N 2.58Å; G203-L207 VanDerWaalsContact O-CG 3.31Å; G203-L207 WeakPolarHBondContact O-CG 3.44Å; G203-L207 PolarHBondContact O-N 3.34Å |
| 204 | L | 85.5 | Confident | 86.6 | Confident | 25 Ų | 25 | 26 Ų | 26 | 13% | 0.131 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.6 | -38.9 | -179.1 | -71.4 | 173.1 | 0 | 0 | 0 | 111.9 | T23 I26 A27 Y30 Y200 T206 L207 S208 | T23-L204 HydrophobicContact CG2-CD2 3.84Å; T23-L204 HydrophobicContact CG2-CG 4.43Å; I26-L204 HydrophobicContact CG2-CD2 4.31Å; A27-L204 HydrophobicContact CB-CD2 3.91Å; Y30-L204 HydrophobicContact CE1-CD2 4.44Å; Y30-L204 PolarHBondContact OH-O 3.26Å; Y200-L204 WeakPolarHBondContact O-CB 3.33Å; Y200-L204 VanDerWaalsContact O-CG 3.3Å; Y200-L204 WeakPolarHBondContact O-CG 3.44Å; Y200-L204 PolarHBondContact O-N 3.35Å; L204-T206 VanDerWaalsContact C-N 3.3Å; L204-T206 PolarHBondContact O-N 3.13Å; L204-L207 PolarHBondContact O-N 2.91Å; L204-S208 PolarHBondContact O-N 2.89Å; L204-S208 VanDerWaalsContact O-N 3.07Å; L204-S208 PolarHBondContact O-OG 2.96Å |
| 205 | S | 87.7 | Confident | 86.8 | Confident | 24 Ų | 24 | 24.3 Ų | 24.3 | 17% | 0.168 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 176.1 | -179.9 | 0 | 0 | 0 | 0 | 112 | S43 Q46 G201 S208 S209 | S43-S205 WeakPolarHBondContact CB-OG 3.14Å; S43-S205 PolarHBondContact OG-OG 2.87Å; Q46-S205 VanDerWaalsContact OE1-CB 3.29Å; G201-S205 VanDerWaalsContact O-CB 3.32Å; G201-S205 WeakPolarHBondContact O-CB 3.5Å; G201-S205 PolarHBondContact O-N 2.9Å; S205-S208 PolarHBondContact O-OG 2.64Å; S205-S209 WeakPolarHBondContact O-CB 3.24Å; S205-S209 PolarHBondContact O-N 3.05Å; S205-S209 PolarHBondContact O-OG 3.49Å |
| 206 | T | 86.9 | Confident | 86.8 | Confident | 85 Ų | 85 | 25.5 Ų | 25.5 | 52% | 0.521 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -71.5 | -46.2 | 178.9 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | A202 G203 L204 S208 G210 | A202-T206 PolarHBondContact O-N 2.83Å; A202-T206 PolarHBondContact O-OG1 3.47Å; G203-T206 PolarHBondContact O-N 2.58Å; L204-T206 VanDerWaalsContact C-N 3.3Å; L204-T206 PolarHBondContact O-N 3.13Å; T206-S208 PolarHBondContact O-N 2.92Å; T206-G210 PolarHBondContact O-N 3.33Å |
| 207 | L | 86.4 | Confident | 87.2 | Confident | 17 Ų | 17 | 26.7 Ų | 26.7 | 9% | 0.089 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | -178.7 | -76.4 | 168.5 | 0 | 0 | 0 | 112.1 | M1 T23 A27 G203 L204 G210 F211 V255 | M1-L207 HydrophobicContact CB-CD1 4.11Å; M1-L207 HydrophobicContact CB-CD2 4.19Å; M1-L207 HydrophobicContact CG-CD1 3.96Å; M1-L207 HydrophobicContact SD-CD1 3.9Å; M1-L207 HydrophobicContact SD-CD2 4.16Å; T23-L207 HydrophobicContact CG2-CD1 4.02Å; A27-L207 HydrophobicContact CB-CB 3.74Å; A27-L207 HydrophobicContact CB-CD1 3.96Å; A27-L207 HydrophobicContact CB-CG 4.47Å; G203-L207 VanDerWaalsContact O-CG 3.31Å; G203-L207 WeakPolarHBondContact O-CG 3.44Å; G203-L207 PolarHBondContact O-N 3.34Å; L204-L207 PolarHBondContact O-N 2.91Å; L207-G210 PolarHBondContact O-N 2.98Å; L207-F211 HydrophobicContact CB-CE2 4.27Å; L207-F211 HydrophobicContact CB-CZ 4.22Å; L207-F211 HydrophobicContact CD2-CE1 4.14Å; L207-F211 HydrophobicContact CD2-CZ 3.86Å; L207-F211 WeakPolarHBondContact O-CD1 3.32Å; L207-F211 WeakPolarHBondContact O-CG 3.3Å; L207-F211 PolarHBondContact O-N 3.12Å; L207-V255 HydrophobicContact CD2-CG1 4.13Å |
| 208 | S | 84.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71 | -41.4 | -178.4 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | Y30 T31 V39 L204 S205 T206 G210 F211 T212 | Y30-S208 VanDerWaalsContact CE2-CB 3.42Å; Y30-S208 WeakPolarHBondContact OH-CB 3.43Å; Y30-S208 PolarHBondContact OH-OG 2.86Å; T31-S208 WeakPolarHBondContact CG2-O 3.31Å; T31-S208 VanDerWaalsContact OG1-CA 3.23Å; T31-S208 WeakPolarHBondContact OG1-CA 3.36Å; T31-S208 WeakPolarHBondContact OG1-CB 3.27Å; V39-S208 WeakPolarHBondContact CG1-OG 3.43Å; L204-S208 PolarHBondContact O-N 2.89Å; L204-S208 VanDerWaalsContact O-N 3.07Å; L204-S208 PolarHBondContact O-OG 2.96Å; S205-S208 PolarHBondContact O-OG 2.64Å; T206-S208 PolarHBondContact O-N 2.92Å; S208-G210 PolarHBondContact O-N 3Å; S208-F211 PolarHBondContact O-N 3.02Å; S208-T212 PolarHBondContact O-N 3.07Å; S208-T212 PolarHBondContact O-OG1 3.01Å |
| 209 | S | 86.9 | Confident | 87.6 | Confident | 12 Ų | 12 | 28.7 Ų | 28.7 | 8% | 0.084 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.3 | -40.5 | 172.4 | -57 | 0 | 0 | 0 | 0 | 109.9 | R120 S205 A213 | R120-S209 PolarHBondContact NH2-OG 2.97Å; S205-S209 WeakPolarHBondContact O-CB 3.24Å; S205-S209 PolarHBondContact O-N 3.05Å; S205-S209 PolarHBondContact O-OG 3.49Å; S209-A213 WeakPolarHBondContact O-CB 3.4Å; S209-A213 PolarHBondContact O-N 3.33Å |
| 210 | G | 88.1 | Confident | 87.9 | Confident | 17 Ų | 17 | 30.5 Ų | 30.5 | 18% | 0.175 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.8 | -47.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | M116 T206 L207 S208 A213 L214 | M116-G210 VanDerWaalsContact SD-CA 3.59Å; M116-G210 PolarHBondContact SD-N 3.48Å; M116-G210 VanDerWaalsContact SD-N 3.36Å; T206-G210 PolarHBondContact O-N 3.33Å; L207-G210 PolarHBondContact O-N 2.98Å; S208-G210 PolarHBondContact O-N 3Å; G210-A213 PolarHBondContact O-N 3.17Å; G210-L214 WeakPolarHBondContact O-CB 3.45Å; G210-L214 WeakPolarHBondContact O-CG 3.04Å; G210-L214 PolarHBondContact O-N 3.22Å |
| 211 | F | 87.6 | Confident | 88.3 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 179.6 | -60.5 | -18.5 | 0 | 0 | 0 | 111.8 | A27 T28 T31 L207 S208 A215 V255 | A27-F211 HydrophobicContact CB-CD2 4.4Å; A27-F211 HydrophobicContact CB-CE2 3.7Å; T28-F211 WeakPolarHBondContact OG1-CE2 3.5Å; T31-F211 HydrophobicContact CG2-CB 3.79Å; L207-F211 HydrophobicContact CB-CE2 4.27Å; L207-F211 HydrophobicContact CB-CZ 4.22Å; L207-F211 HydrophobicContact CD2-CE1 4.14Å; L207-F211 HydrophobicContact CD2-CZ 3.86Å; L207-F211 WeakPolarHBondContact O-CD1 3.32Å; L207-F211 WeakPolarHBondContact O-CG 3.3Å; L207-F211 PolarHBondContact O-N 3.12Å; S208-F211 PolarHBondContact O-N 3.02Å; F211-A215 VanDerWaalsContact O-CB 3.27Å; F211-A215 WeakPolarHBondContact O-CB 3.49Å; F211-A215 PolarHBondContact O-N 2.92Å; F211-V255 HydrophobicContact CE1-CB 3.69Å; F211-V255 HydrophobicContact CE1-CG1 3.82Å; F211-V255 HydrophobicContact CE1-CG2 3.85Å; F211-V255 HydrophobicContact CZ-CB 4.2Å; F211-V255 HydrophobicContact CZ-CG1 4.18Å |
| 212 | T | 86.5 | Confident | 88.6 | Confident | 11 Ų | 11 | 37 Ų | 37 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.5 | -42.9 | 176.8 | -33.7 | 0 | 0 | 0 | 0 | 110.9 | T31 S208 A215 V216 | T31-T212 WeakPolarHBondContact CG2-OG1 3.16Å; S208-T212 PolarHBondContact O-N 3.07Å; S208-T212 PolarHBondContact O-OG1 3.01Å; T212-A215 PolarHBondContact O-N 3.2Å; T212-V216 WeakPolarHBondContact O-CB 3.48Å; T212-V216 WeakPolarHBondContact O-CG2 3.27Å; T212-V216 PolarHBondContact O-N 2.81Å |
| 213 | A | 89 | Confident | 88.9 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61 | -49 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q115 M116 S209 G210 A215 V216 V217 | Q115-A213 HydrophobicContact CB-CB 3.84Å; Q115-A213 HydrophobicContact CG-CB 3.64Å; M116-A213 HydrophobicContact CG-CB 4.02Å; S209-A213 WeakPolarHBondContact O-CB 3.4Å; S209-A213 PolarHBondContact O-N 3.33Å; G210-A213 PolarHBondContact O-N 3.17Å; A213-A215 PolarHBondContact O-N 2.98Å; A213-V216 PolarHBondContact O-N 3.08Å; A213-V217 VanDerWaalsContact O-CG2 3.32Å; A213-V217 WeakPolarHBondContact O-CG2 3.31Å; A213-V217 PolarHBondContact O-N 3.2Å |
| 214 | L | 89.9 | Confident | 89.2 | Confident | 71 Ų | 71 | 37.6 Ų | 37.6 | 37% | 0.372 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 176.8 | -76.3 | 168.1 | 0 | 0 | 0 | 111.9 | G210 V216 V217 F218 C251 | G210-L214 WeakPolarHBondContact O-CB 3.45Å; G210-L214 WeakPolarHBondContact O-CG 3.04Å; G210-L214 PolarHBondContact O-N 3.22Å; L214-V216 VanDerWaalsContact C-N 3.31Å; L214-V216 PolarHBondContact O-N 3.49Å; L214-V217 PolarHBondContact O-N 3.03Å; L214-F218 PolarHBondContact O-N 3.18Å; L214-C251 HydrophobicContact CB-CB 4.19Å; L214-C251 HydrophobicContact CD1-CB 4.13Å |
| 215 | A | 90 | Very high | 89.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.5 | -38 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F211 T212 A213 L219 S244 L247 A248 | F211-A215 VanDerWaalsContact O-CB 3.27Å; F211-A215 WeakPolarHBondContact O-CB 3.49Å; F211-A215 PolarHBondContact O-N 2.92Å; T212-A215 PolarHBondContact O-N 3.2Å; A213-A215 PolarHBondContact O-N 2.98Å; A215-L219 WeakPolarHBondContact O-CB 3.38Å; A215-L219 PolarHBondContact O-N 3.44Å; A215-S244 WeakPolarHBondContact CB-O 3.42Å; A215-L247 HydrophobicContact CB-CB 4.09Å; A215-A248 HydrophobicContact CB-CB 3.77Å |
| 216 | V | 89.7 | Confident | 89.6 | Confident | 32 Ų | 32 | 43 Ų | 43 | 19% | 0.194 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.7 | -44.6 | 177.1 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | T212 A213 L214 L219 E220 | T212-V216 WeakPolarHBondContact O-CB 3.48Å; T212-V216 WeakPolarHBondContact O-CG2 3.27Å; T212-V216 PolarHBondContact O-N 2.81Å; A213-V216 PolarHBondContact O-N 3.08Å; L214-V216 VanDerWaalsContact C-N 3.31Å; L214-V216 PolarHBondContact O-N 3.49Å; V216-L219 PolarHBondContact O-N 2.93Å; V216-E220 HydrophobicContact CG1-CG 4.45Å; V216-E220 PolarHBondContact O-N 3.39Å |
| 217 | V | 91.3 | Very high | 89.7 | Confident | 55 Ų | 55 | 43.6 Ų | 43.6 | 33% | 0.333 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -50.8 | 177.4 | 169.3 | 0 | 0 | 0 | 0 | 110.3 | Q115 A213 L214 L219 E220 D221 | Q115-V217 HydrophobicContact CB-CG2 4.25Å; Q115-V217 HydrophobicContact CG-CG2 3.92Å; A213-V217 VanDerWaalsContact O-CG2 3.32Å; A213-V217 WeakPolarHBondContact O-CG2 3.31Å; A213-V217 PolarHBondContact O-N 3.2Å; L214-V217 PolarHBondContact O-N 3.03Å; V217-L219 VanDerWaalsContact C-N 3.28Å; V217-L219 PolarHBondContact O-N 3Å; V217-E220 PolarHBondContact O-N 3.3Å; V217-D221 VanDerWaalsContact O-CB 3.24Å; V217-D221 WeakPolarHBondContact O-CB 3.3Å; V217-D221 PolarHBondContact O-N 3.2Å |
| 218 | F | 91.7 | Very high | 90 | Very high | 93 Ų | 93 | 49 Ų | 49 | 41% | 0.408 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -63.2 | -33.4 | 177 | -92.3 | -86 | 0 | 0 | 0 | 113 | L214 V222 A223 L247 | L214-F218 PolarHBondContact O-N 3.18Å; F218-V222 HydrophobicContact CD1-CB 4.18Å; F218-V222 HydrophobicContact CD1-CG2 3.96Å; F218-V222 HydrophobicContact CE1-CG2 4.36Å; F218-V222 WeakPolarHBondContact O-CA 3.06Å; F218-V222 WeakPolarHBondContact O-CB 3.08Å; F218-V222 PolarHBondContact O-N 2.82Å; F218-A223 PolarHBondContact O-N 2.9Å; F218-L247 HydrophobicContact CB-CD1 3.66Å; F218-L247 HydrophobicContact CB-CD2 3.7Å; F218-L247 HydrophobicContact CB-CG 4.23Å; F218-L247 HydrophobicContact CD1-CD2 4.32Å; F218-L247 HydrophobicContact CG-CD2 4.11Å |
| 219 | L | 92.3 | Very high | 90.3 | Very high | 13 Ų | 13 | 58.9 Ų | 58.9 | 7% | 0.068 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -68.8 | -52.9 | 177.7 | 177.7 | 70.2 | 0 | 0 | 0 | 112.2 | A215 V216 V217 A223 K224 L235 S240 V243 L247 | A215-L219 WeakPolarHBondContact O-CB 3.38Å; A215-L219 PolarHBondContact O-N 3.44Å; V216-L219 PolarHBondContact O-N 2.93Å; V217-L219 VanDerWaalsContact C-N 3.28Å; V217-L219 PolarHBondContact O-N 3Å; L219-A223 HydrophobicContact CD1-CB 4.47Å; L219-K224 HydrophobicContact CG-CD 4.48Å; L219-K224 WeakPolarHBondContact O-CB 3.1Å; L219-K224 WeakPolarHBondContact O-CG 3.31Å; L219-K224 PolarHBondContact O-N 2.83Å; L219-L235 HydrophobicContact CD1-CD2 4.23Å; L219-S240 WeakPolarHBondContact CD1-O 3.42Å; L219-V243 HydrophobicContact CD1-CB 3.94Å; L219-V243 HydrophobicContact CD1-CG1 3.74Å; L219-L247 HydrophobicContact CB-CD1 4.2Å |
| 220 | E | 92.2 | Very high | 90.3 | Very high | 86 Ų | 86 | 67.6 Ų | 67.6 | 40% | 0.402 | 32% | 0.324 | S | S | . | . | I | π-helix | trans | -77.3 | -36.5 | -174 | -68.4 | -62 | 164.5 | 0 | 0 | 112.8 | V216 V217 K224 P225 | V216-E220 HydrophobicContact CG1-CG 4.45Å; V216-E220 PolarHBondContact O-N 3.39Å; V217-E220 PolarHBondContact O-N 3.3Å; E220-K224 IonicContact OE1-NZ 3.61Å; E220-K224 PolarHBondContact OE1-NZ 3.17Å; E220-K224 WeakPolarHBondContact OE2-CD 3.33Å; E220-K224 IonicContact OE2-NZ 3.54Å; E220-K224 PolarHBondContact OE2-NZ 2.96Å; E220-P225 WeakPolarHBondContact O-CD 3.33Å; E220-P225 WeakPolarHBondContact O-CG 3.39Å |
| 221 | D | 91.3 | Very high | 90.1 | Very high | 109 Ų | 109 | 69 Ų | 69 | 58% | 0.583 | 33% | 0.333 | S | S | * | . | I | π-helix | trans | -99.4 | -19.4 | -171 | -55.9 | -43 | 0 | 0 | 0 | 113 | V217 P225 | V217-D221 VanDerWaalsContact O-CB 3.24Å; V217-D221 WeakPolarHBondContact O-CB 3.3Å; V217-D221 PolarHBondContact O-N 3.2Å; D221-P225 WeakPolarHBondContact O-CG 3.34Å |
| 222 | V | 92.4 | Very high | 90 | Very high | 65 Ų | 65 | 78.1 Ų | 78.1 | 39% | 0.394 | 37% | 0.373 | S | S | . | . | I | π-helix | trans | -118.4 | -62.6 | -179.6 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | F218 P225 L226 | F218-V222 HydrophobicContact CD1-CB 4.18Å; F218-V222 HydrophobicContact CD1-CG2 3.96Å; F218-V222 HydrophobicContact CE1-CG2 4.36Å; F218-V222 WeakPolarHBondContact O-CA 3.06Å; F218-V222 WeakPolarHBondContact O-CB 3.08Å; F218-V222 PolarHBondContact O-N 2.82Å; V222-P225 WeakPolarHBondContact O-CD 3.49Å; V222-L226 HydrophobicContact CG1-CD1 4.09Å; V222-L226 WeakPolarHBondContact O-CB 3.39Å; V222-L226 PolarHBondContact O-N 3.48Å |
| 223 | A | 90.2 | Very high | 89.8 | Confident | 27 Ų | 27 | 79 Ų | 79 | 22% | 0.223 | 38% | 0.384 | C | S | . | . | I | π-helix | trans | -67 | -46.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113 | F218 L219 Y227 V243 | F218-A223 PolarHBondContact O-N 2.9Å; L219-A223 HydrophobicContact CD1-CB 4.47Å; A223-Y227 VanDerWaalsContact O-CB 3.32Å; A223-Y227 WeakPolarHBondContact O-CB 3.39Å; A223-Y227 PolarHBondContact O-N 3.45Å; A223-V243 HydrophobicContact CB-CG1 3.93Å |
| 224 | K | 92.9 | Very high | 89.7 | Confident | 37 Ų | 37 | 84.1 Ų | 84.1 | 16% | 0.161 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.7 | -46.6 | 177.9 | -83.9 | 171.1 | 164.8 | -175.9 | 0 | 112.7 | L219 E220 Y227 R228 L235 S240 | L219-K224 HydrophobicContact CG-CD 4.48Å; L219-K224 WeakPolarHBondContact O-CB 3.1Å; L219-K224 WeakPolarHBondContact O-CG 3.31Å; L219-K224 PolarHBondContact O-N 2.83Å; E220-K224 IonicContact OE1-NZ 3.61Å; E220-K224 PolarHBondContact OE1-NZ 3.17Å; E220-K224 WeakPolarHBondContact OE2-CD 3.33Å; E220-K224 IonicContact OE2-NZ 3.54Å; E220-K224 PolarHBondContact OE2-NZ 2.96Å; K224-Y227 PolarHBondContact O-N 3.1Å; K224-R228 WeakPolarHBondContact O-CG 3.44Å; K224-R228 PolarHBondContact O-N 2.9Å; K224-L235 HydrophobicContact CG-CB 4.06Å; K224-L235 HydrophobicContact CG-CD2 4.24Å; K224-S240 VanDerWaalsContact CE-OG 3.25Å; K224-S240 WeakPolarHBondContact CE-OG 3.2Å |
| 225 | P | 92.5 | Very high | 89.4 | Confident | 54 Ų | 54 | 82.1 Ų | 82.1 | 35% | 0.351 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 174 | -29.4 | 38.4 | 0 | 0 | 0 | 113.2 | E220 D221 V222 Y227 R228 W229 | E220-P225 WeakPolarHBondContact O-CD 3.33Å; E220-P225 WeakPolarHBondContact O-CG 3.39Å; D221-P225 WeakPolarHBondContact O-CG 3.34Å; V222-P225 WeakPolarHBondContact O-CD 3.49Å; P225-Y227 VanDerWaalsContact C-N 3.31Å; P225-Y227 PolarHBondContact O-N 3.32Å; P225-R228 PolarHBondContact O-N 3.32Å; P225-W229 WeakPolarHBondContact O-CB 3.39Å; P225-W229 PolarHBondContact O-N 3.42Å |
| 226 | L | 89.8 | Confident | 89.3 | Confident | 107 Ų | 107 | 85.2 Ų | 85.2 | 56% | 0.56 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.3 | -42.8 | 175.8 | -112.3 | 100.3 | 0 | 0 | 0 | 111.6 | V222 W229 Y230 | V222-L226 HydrophobicContact CG1-CD1 4.09Å; V222-L226 WeakPolarHBondContact O-CB 3.39Å; V222-L226 PolarHBondContact O-N 3.48Å; L226-W229 PolarHBondContact O-N 3.42Å; L226-Y230 WeakPolarHBondContact O-CB 3.38Å; L226-Y230 PolarHBondContact O-N 2.96Å |
| 227 | Y | 88.9 | Confident | 89.1 | Confident | 99 Ų | 99 | 87.8 Ų | 87.8 | 39% | 0.388 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 178.2 | -173.4 | -95.1 | 0 | 0 | 0 | 112.1 | A223 K224 P225 W229 Y230 A231 G233 L235 | A223-Y227 VanDerWaalsContact O-CB 3.32Å; A223-Y227 WeakPolarHBondContact O-CB 3.39Å; A223-Y227 PolarHBondContact O-N 3.45Å; K224-Y227 PolarHBondContact O-N 3.1Å; P225-Y227 VanDerWaalsContact C-N 3.31Å; P225-Y227 PolarHBondContact O-N 3.32Å; Y227-W229 VanDerWaalsContact C-N 3.29Å; Y227-W229 PolarHBondContact O-N 2.99Å; Y227-Y230 PolarHBondContact O-N 3.25Å; Y227-A231 HydrophobicContact CD1-CB 4.23Å; Y227-A231 HydrophobicContact CD2-CB 4.15Å; Y227-A231 HydrophobicContact CE1-CB 3.92Å; Y227-A231 HydrophobicContact CE2-CB 3.82Å; Y227-A231 HydrophobicContact CG-CB 4.35Å; Y227-A231 WeakPolarHBondContact O-CA 3.21Å; Y227-A231 VanDerWaalsContact O-CB 3.31Å; Y227-A231 WeakPolarHBondContact O-CB 3.24Å; Y227-A231 PolarHBondContact O-N 2.84Å; Y227-G233 WeakPolarHBondContact CD1-O 3.33Å; Y227-L235 HydrophobicContact CD1-CB 4.08Å; Y227-L235 HydrophobicContact CD1-CD1 3.64Å; Y227-L235 HydrophobicContact CD2-CD1 3.43Å; Y227-L235 VanDerWaalsContact CD2-CD1 3.43Å; Y227-L235 HydrophobicContact CE1-CD1 3.98Å; Y227-L235 HydrophobicContact CE2-CD1 3.79Å; Y227-L235 HydrophobicContact CG-CB 4.45Å; Y227-L235 HydrophobicContact CG-CD1 3.35Å |
| 228 | R | 92 | Very high | 88.6 | Confident | 131 Ų | 131 | 88.6 Ų | 88.6 | 49% | 0.494 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 173.4 | -75.1 | 175.7 | -176.1 | 167.2 | 5.2 | 112 | K224 P225 K232 G233 N234 | K224-R228 WeakPolarHBondContact O-CG 3.44Å; K224-R228 PolarHBondContact O-N 2.9Å; P225-R228 PolarHBondContact O-N 3.32Å; R228-K232 WeakPolarHBondContact O-CA 3.11Å; R228-K232 PolarHBondContact O-N 2.92Å; R228-K232 VanDerWaalsContact O-N 3.13Å; R228-G233 VanDerWaalsContact CA-O 3.31Å; R228-G233 WeakPolarHBondContact CA-O 3.35Å; R228-G233 VanDerWaalsContact CG-O 3.31Å; R228-G233 WeakPolarHBondContact CG-O 3.25Å; R228-N234 PolarHBondContact NE-OD1 3.45Å; R228-N234 PolarHBondContact NH2-OD1 3.29Å |
| 229 | W | 90.8 | Very high | 88.2 | Confident | 207 Ų | 207 | 85.8 Ų | 85.8 | 78% | 0.784 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -69.5 | -46.8 | 178.8 | 179.3 | 75.7 | 0 | 0 | 0 | 112 | P225 L226 Y227 | P225-W229 WeakPolarHBondContact O-CB 3.39Å; P225-W229 PolarHBondContact O-N 3.42Å; L226-W229 PolarHBondContact O-N 3.42Å; Y227-W229 VanDerWaalsContact C-N 3.29Å; Y227-W229 PolarHBondContact O-N 2.99Å |
| 230 | Y | 86.4 | Confident | 87.9 | Confident | 194 Ų | 194 | 85.7 Ų | 85.7 | 76% | 0.761 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -76.6 | -50.1 | -177.1 | 178.8 | -101.7 | 0 | 0 | 0 | 113.4 | L226 Y227 | L226-Y230 WeakPolarHBondContact O-CB 3.38Å; L226-Y230 PolarHBondContact O-N 2.96Å; Y227-Y230 PolarHBondContact O-N 3.25Å |
| 231 | A | 85.4 | Confident | 87.5 | Confident | 46 Ų | 46 | 84.4 Ų | 84.4 | 38% | 0.38 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -94.7 | -2.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y227 G233 | Y227-A231 HydrophobicContact CD1-CB 4.23Å; Y227-A231 HydrophobicContact CD2-CB 4.15Å; Y227-A231 HydrophobicContact CE1-CB 3.92Å; Y227-A231 HydrophobicContact CE2-CB 3.82Å; Y227-A231 HydrophobicContact CG-CB 4.35Å; Y227-A231 WeakPolarHBondContact O-CA 3.21Å; Y227-A231 VanDerWaalsContact O-CB 3.31Å; Y227-A231 WeakPolarHBondContact O-CB 3.24Å; Y227-A231 PolarHBondContact O-N 2.84Å; A231-G233 PolarHBondContact O-N 3.42Å |
| 232 | K | 83.9 | Confident | 87.3 | Confident | 197 Ų | 197 | 83.8 Ų | 83.8 | 86% | 0.857 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 49.4 | 30.2 | -173 | -66.4 | -171 | 178.6 | -179.1 | 0 | 113.8 | R228 | R228-K232 WeakPolarHBondContact O-CA 3.11Å; R228-K232 PolarHBondContact O-N 2.92Å; R228-K232 VanDerWaalsContact O-N 3.13Å |
| 233 | G | 84 | Confident | 87 | Confident | 28 Ų | 28 | 83 Ų | 83 | 29% | 0.289 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -140.4 | 170 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y227 R228 A231 | Y227-G233 WeakPolarHBondContact CD1-O 3.33Å; R228-G233 VanDerWaalsContact CA-O 3.31Å; R228-G233 WeakPolarHBondContact CA-O 3.35Å; R228-G233 VanDerWaalsContact CG-O 3.31Å; R228-G233 WeakPolarHBondContact CG-O 3.25Å; A231-G233 PolarHBondContact O-N 3.42Å |
| 234 | N | 85.3 | Confident | 86.8 | Confident | 116 Ų | 116 | 83 Ų | 83 | 62% | 0.62 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -92.3 | 135.6 | 173.9 | -83 | -42.9 | 0 | 0 | 0 | 110.7 | R228 S236 | R228-N234 PolarHBondContact NE-OD1 3.45Å; R228-N234 PolarHBondContact NH2-OD1 3.29Å; N234-S236 PolarHBondContact O-N 3.09Å |
| 235 | L | 83.8 | Confident | 86.5 | Confident | 29 Ų | 29 | 85.4 Ų | 85.4 | 15% | 0.152 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 127.3 | 172.1 | -151 | 76.2 | 0 | 0 | 0 | 108.8 | L219 K224 Y227 A239 V243 | L219-L235 HydrophobicContact CD1-CD2 4.23Å; K224-L235 HydrophobicContact CG-CB 4.06Å; K224-L235 HydrophobicContact CG-CD2 4.24Å; Y227-L235 HydrophobicContact CD1-CB 4.08Å; Y227-L235 HydrophobicContact CD1-CD1 3.64Å; Y227-L235 HydrophobicContact CD2-CD1 3.43Å; Y227-L235 VanDerWaalsContact CD2-CD1 3.43Å; Y227-L235 HydrophobicContact CE1-CD1 3.98Å; Y227-L235 HydrophobicContact CE2-CD1 3.79Å; Y227-L235 HydrophobicContact CG-CB 4.45Å; Y227-L235 HydrophobicContact CG-CD1 3.35Å; L235-A239 HydrophobicContact CD1-CB 4.29Å; L235-A239 HydrophobicContact CD2-CB 4.41Å; L235-A239 HydrophobicContact CG-CB 3.87Å; L235-V243 HydrophobicContact CD2-CG2 4.31Å |
| 236 | S | 88.3 | Confident | 86.4 | Confident | 65 Ų | 65 | 89.4 Ų | 89.4 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 156.8 | 179.5 | 88.9 | 0 | 0 | 0 | 0 | 110.6 | N234 Q238 A239 S240 | N234-S236 PolarHBondContact O-N 3.09Å; S236-Q238 PolarHBondContact O-N 3.01Å; S236-Q238 PolarHBondContact OG-N 3.42Å; S236-A239 PolarHBondContact O-N 2.88Å; S236-A239 PolarHBondContact OG-N 3.46Å; S236-A239 VanDerWaalsContact OG-N 3.07Å; S236-S240 WeakPolarHBondContact O-CB 3.33Å; S236-S240 PolarHBondContact O-N 3.44Å; S236-S240 PolarHBondContact O-OG 3.31Å |
| 237 | A | 85 | Confident | 86.3 | Confident | 86 Ų | 86 | 85.3 Ų | 85.3 | 71% | 0.711 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.1 | -34.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S241 | A237-S241 PolarHBondContact O-N 3.29Å |
| 238 | Q | 81.4 | Confident | 86.2 | Confident | 71 Ų | 71 | 80.8 Ų | 80.8 | 33% | 0.332 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.4 | -53.1 | 173.4 | -121 | 80.9 | 35.1 | 0 | 0 | 111.5 | S236 S240 S241 V242 R445 S446 | S236-Q238 PolarHBondContact O-N 3.01Å; S236-Q238 PolarHBondContact OG-N 3.42Å; Q238-S240 VanDerWaalsContact C-N 3.31Å; Q238-S240 PolarHBondContact O-N 2.97Å; Q238-S241 WeakPolarHBondContact O-CB 3.29Å; Q238-S241 PolarHBondContact O-N 2.8Å; Q238-S241 VanDerWaalsContact O-N 3.13Å; Q238-V242 WeakPolarHBondContact O-CG2 3.41Å; Q238-V242 PolarHBondContact O-N 2.88Å; Q238-R445 PolarHBondContact OE1-O 3.49Å; Q238-S446 WeakPolarHBondContact CG-O 3.19Å; Q238-S446 PolarHBondContact NE2-O 2.85Å; Q238-S446 PolarHBondContact OE1-O 2.9Å; Q238-S446 VanDerWaalsContact OE1-O 3.13Å |
| 239 | A | 83.4 | Confident | 86 | Confident | 35 Ų | 35 | 76.8 Ų | 76.8 | 29% | 0.289 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | -179 | 0 | 0 | 0 | 0 | 0 | 110.8 | L235 S236 S241 V242 V243 | L235-A239 HydrophobicContact CD1-CB 4.29Å; L235-A239 HydrophobicContact CD2-CB 4.41Å; L235-A239 HydrophobicContact CG-CB 3.87Å; S236-A239 PolarHBondContact O-N 2.88Å; S236-A239 PolarHBondContact OG-N 3.46Å; S236-A239 VanDerWaalsContact OG-N 3.07Å; A239-S241 VanDerWaalsContact C-N 3.31Å; A239-S241 PolarHBondContact O-N 2.9Å; A239-V242 PolarHBondContact O-N 3.29Å; A239-V243 WeakPolarHBondContact O-CB 3.37Å; A239-V243 VanDerWaalsContact O-CG2 3.26Å; A239-V243 WeakPolarHBondContact O-CG2 3.5Å; A239-V243 PolarHBondContact O-N 2.95Å |
| 240 | S | 86.1 | Confident | 85.9 | Confident | 10 Ų | 10 | 70.6 Ų | 70.6 | 7% | 0.07 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.3 | -42 | 174.3 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | L219 K224 S236 Q238 S244 | L219-S240 WeakPolarHBondContact CD1-O 3.42Å; K224-S240 VanDerWaalsContact CE-OG 3.25Å; K224-S240 WeakPolarHBondContact CE-OG 3.2Å; S236-S240 WeakPolarHBondContact O-CB 3.33Å; S236-S240 PolarHBondContact O-N 3.44Å; S236-S240 PolarHBondContact O-OG 3.31Å; Q238-S240 VanDerWaalsContact C-N 3.31Å; Q238-S240 PolarHBondContact O-N 2.97Å; S240-S244 WeakPolarHBondContact O-CB 3.33Å; S240-S244 PolarHBondContact O-N 3.46Å |
| 241 | S | 84.1 | Confident | 86 | Confident | 59 Ų | 59 | 62 Ų | 62 | 41% | 0.413 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 175.6 | -178.6 | 0 | 0 | 0 | 0 | 112.1 | A237 Q238 A239 S244 K245 | A237-S241 PolarHBondContact O-N 3.29Å; Q238-S241 WeakPolarHBondContact O-CB 3.29Å; Q238-S241 PolarHBondContact O-N 2.8Å; Q238-S241 VanDerWaalsContact O-N 3.13Å; A239-S241 VanDerWaalsContact C-N 3.31Å; A239-S241 PolarHBondContact O-N 2.9Å; S241-S244 PolarHBondContact O-N 3.03Å; S241-K245 VanDerWaalsContact O-CG 3.28Å; S241-K245 WeakPolarHBondContact O-CG 3.38Å; S241-K245 PolarHBondContact O-N 2.81Å |
| 242 | V | 85.9 | Confident | 86 | Confident | 97 Ų | 97 | 59.8 Ų | 59.8 | 59% | 0.588 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.4 | -46.5 | 179.3 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | Q238 A239 S244 K245 F246 | Q238-V242 WeakPolarHBondContact O-CG2 3.41Å; Q238-V242 PolarHBondContact O-N 2.88Å; A239-V242 PolarHBondContact O-N 3.29Å; V242-S244 VanDerWaalsContact C-N 3.34Å; V242-S244 PolarHBondContact O-N 2.81Å; V242-K245 PolarHBondContact O-N 2.64Å; V242-F246 PolarHBondContact O-N 2.67Å |
| 243 | V | 87 | Confident | 86.1 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 29% | 0.285 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 177.3 | 172.4 | 0 | 0 | 0 | 0 | 111 | L219 A223 L235 A239 K245 F246 L247 | L219-V243 HydrophobicContact CD1-CB 3.94Å; L219-V243 HydrophobicContact CD1-CG1 3.74Å; A223-V243 HydrophobicContact CB-CG1 3.93Å; L235-V243 HydrophobicContact CD2-CG2 4.31Å; A239-V243 WeakPolarHBondContact O-CB 3.37Å; A239-V243 VanDerWaalsContact O-CG2 3.26Å; A239-V243 WeakPolarHBondContact O-CG2 3.5Å; A239-V243 PolarHBondContact O-N 2.95Å; V243-K245 VanDerWaalsContact C-N 3.33Å; V243-K245 PolarHBondContact O-N 3.27Å; V243-F246 PolarHBondContact O-N 3.32Å; V243-L247 HydrophobicContact CG1-CD1 3.7Å; V243-L247 HydrophobicContact CG1-CG 4.3Å; V243-L247 WeakPolarHBondContact O-CB 3.42Å; V243-L247 VanDerWaalsContact O-CG 3.31Å; V243-L247 WeakPolarHBondContact O-CG 3.13Å; V243-L247 PolarHBondContact O-N 2.96Å |
| 244 | S | 86.3 | Confident | 86.3 | Confident | 27 Ų | 27 | 58.4 Ų | 58.4 | 19% | 0.189 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 175.3 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | A215 S240 S241 V242 L247 A248 | A215-S244 WeakPolarHBondContact CB-O 3.42Å; S240-S244 WeakPolarHBondContact O-CB 3.33Å; S240-S244 PolarHBondContact O-N 3.46Å; S241-S244 PolarHBondContact O-N 3.03Å; V242-S244 VanDerWaalsContact C-N 3.34Å; V242-S244 PolarHBondContact O-N 2.81Å; S244-L247 PolarHBondContact O-N 3.19Å; S244-A248 WeakPolarHBondContact O-CB 3.49Å; S244-A248 PolarHBondContact O-N 2.9Å |
| 245 | K | 85.9 | Confident | 86.4 | Confident | 88 Ų | 88 | 54.7 Ų | 54.7 | 38% | 0.383 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 176.9 | -68 | -174.6 | 177.6 | -174.1 | 0 | 111.5 | T32 S241 V242 V243 L247 A248 C249 | T32-K245 HydrophobicContact CG2-CB 3.89Å; T32-K245 WeakPolarHBondContact CG2-O 3.43Å; T32-K245 WeakPolarHBondContact O-CD 3.34Å; T32-K245 WeakPolarHBondContact O-CG 3.38Å; S241-K245 VanDerWaalsContact O-CG 3.28Å; S241-K245 WeakPolarHBondContact O-CG 3.38Å; S241-K245 PolarHBondContact O-N 2.81Å; V242-K245 PolarHBondContact O-N 2.64Å; V243-K245 VanDerWaalsContact C-N 3.33Å; V243-K245 PolarHBondContact O-N 3.27Å; K245-L247 VanDerWaalsContact C-N 3.33Å; K245-L247 PolarHBondContact O-N 3.04Å; K245-A248 PolarHBondContact O-N 3.33Å; K245-C249 PolarHBondContact O-N 3.01Å |
| 246 | F | 90 | Very high | 86.5 | Confident | 139 Ų | 139 | 53.9 Ų | 53.9 | 61% | 0.61 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59.6 | -45.3 | 175.6 | -177.1 | -96.6 | 0 | 0 | 0 | 111.6 | V242 V243 A248 C249 L250 | V242-F246 PolarHBondContact O-N 2.67Å; V243-F246 PolarHBondContact O-N 3.32Å; F246-A248 PolarHBondContact O-N 2.94Å; F246-C249 WeakPolarHBondContact O-CB 3.4Å; F246-C249 PolarHBondContact O-N 3.01Å; F246-L250 HydrophobicContact CE1-CD2 4.46Å; F246-L250 WeakPolarHBondContact O-CB 3.29Å; F246-L250 PolarHBondContact O-N 3.11Å |
| 247 | L | 88.7 | Confident | 86.2 | Confident | 21 Ų | 21 | 52.9 Ų | 52.9 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 175.5 | -76.6 | 164.9 | 0 | 0 | 0 | 112.2 | A215 F218 L219 V243 S244 K245 C249 L250 C251 | A215-L247 HydrophobicContact CB-CB 4.09Å; F218-L247 HydrophobicContact CB-CD1 3.66Å; F218-L247 HydrophobicContact CB-CD2 3.7Å; F218-L247 HydrophobicContact CB-CG 4.23Å; F218-L247 HydrophobicContact CD1-CD2 4.32Å; F218-L247 HydrophobicContact CG-CD2 4.11Å; L219-L247 HydrophobicContact CB-CD1 4.2Å; V243-L247 HydrophobicContact CG1-CD1 3.7Å; V243-L247 HydrophobicContact CG1-CG 4.3Å; V243-L247 WeakPolarHBondContact O-CB 3.42Å; V243-L247 VanDerWaalsContact O-CG 3.31Å; V243-L247 WeakPolarHBondContact O-CG 3.13Å; V243-L247 PolarHBondContact O-N 2.96Å; S244-L247 PolarHBondContact O-N 3.19Å; K245-L247 VanDerWaalsContact C-N 3.33Å; K245-L247 PolarHBondContact O-N 3.04Å; L247-C249 VanDerWaalsContact C-N 3.31Å; L247-C249 PolarHBondContact O-N 2.86Å; L247-L250 PolarHBondContact O-N 3.25Å; L247-C251 VanDerWaalsContact O-CB 3.32Å; L247-C251 WeakPolarHBondContact O-CB 3.47Å; L247-C251 PolarHBondContact O-N 3.01Å; L247-C251 PolarHBondContact O-SG 3.2Å |
| 248 | A | 86.1 | Confident | 86 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.033 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A215 S244 K245 F246 G252 | A215-A248 HydrophobicContact CB-CB 3.77Å; S244-A248 WeakPolarHBondContact O-CB 3.49Å; S244-A248 PolarHBondContact O-N 2.9Å; K245-A248 PolarHBondContact O-N 3.33Å; F246-A248 PolarHBondContact O-N 2.94Å; A248-G252 PolarHBondContact O-N 3.49Å |
| 249 | C | 88.8 | Confident | 86.1 | Confident | 46 Ų | 46 | 50.8 Ų | 50.8 | 31% | 0.311 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.6 | -49.2 | 175 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | T32 K245 F246 L247 C251 G252 L253 | T32-C249 HydrophobicContact CG2-CB 4.19Å; T32-C249 PolarHBondContact OG1-N 3.46Å; K245-C249 PolarHBondContact O-N 3.01Å; F246-C249 WeakPolarHBondContact O-CB 3.4Å; F246-C249 PolarHBondContact O-N 3.01Å; L247-C249 VanDerWaalsContact C-N 3.31Å; L247-C249 PolarHBondContact O-N 2.86Å; C249-C251 PolarHBondContact O-N 2.73Å; C249-G252 PolarHBondContact O-N 3.29Å; C249-L253 WeakPolarHBondContact O-CG 3.28Å; C249-L253 PolarHBondContact O-N 3.29Å |
| 250 | L | 89.2 | Confident | 85.9 | Confident | 78 Ų | 78 | 53 Ų | 53 | 41% | 0.408 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 179.9 | -176.9 | 67.3 | 0 | 0 | 0 | 111.6 | F246 L247 G252 L253 L254 | F246-L250 HydrophobicContact CE1-CD2 4.46Å; F246-L250 WeakPolarHBondContact O-CB 3.29Å; F246-L250 PolarHBondContact O-N 3.11Å; L247-L250 PolarHBondContact O-N 3.25Å; L250-G252 VanDerWaalsContact C-N 3.31Å; L250-G252 PolarHBondContact O-N 3.42Å; L250-L253 PolarHBondContact O-N 3.42Å; L250-L254 WeakPolarHBondContact O-CB 3.27Å; L250-L254 PolarHBondContact O-N 3.25Å |
| 251 | C | 86.9 | Confident | 85.3 | Confident | 12 Ų | 12 | 55.4 Ų | 55.4 | 8% | 0.081 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 175.9 | -70.6 | 0 | 0 | 0 | 0 | 111.5 | L214 L247 C249 L254 V255 | L214-C251 HydrophobicContact CB-CB 4.19Å; L214-C251 HydrophobicContact CD1-CB 4.13Å; L247-C251 VanDerWaalsContact O-CB 3.32Å; L247-C251 WeakPolarHBondContact O-CB 3.47Å; L247-C251 PolarHBondContact O-N 3.01Å; L247-C251 PolarHBondContact O-SG 3.2Å; C249-C251 PolarHBondContact O-N 2.73Å; C251-L254 PolarHBondContact O-N 2.91Å; C251-V255 WeakPolarHBondContact O-CB 3.06Å; C251-V255 VanDerWaalsContact O-CG2 3.28Å; C251-V255 WeakPolarHBondContact O-CG2 3.41Å; C251-V255 PolarHBondContact O-N 2.86Å |
| 252 | G | 86.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T28 A248 C249 L250 L254 V255 I256 | T28-G252 VanDerWaalsContact OG1-CA 3.24Å; T28-G252 WeakPolarHBondContact OG1-CA 3.22Å; A248-G252 PolarHBondContact O-N 3.49Å; C249-G252 PolarHBondContact O-N 3.29Å; L250-G252 VanDerWaalsContact C-N 3.31Å; L250-G252 PolarHBondContact O-N 3.42Å; G252-L254 PolarHBondContact O-N 3.43Å; G252-V255 PolarHBondContact O-N 2.89Å; G252-I256 WeakPolarHBondContact O-CG1 3.41Å; G252-I256 PolarHBondContact O-N 3.21Å |
| 253 | L | 86.5 | Confident | 83.9 | Confident | 94 Ų | 94 | 52 Ų | 52 | 49% | 0.492 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 175.6 | -70 | 170.1 | 0 | 0 | 0 | 112.4 | C249 L250 V255 I256 G257 | C249-L253 WeakPolarHBondContact O-CG 3.28Å; C249-L253 PolarHBondContact O-N 3.29Å; L250-L253 PolarHBondContact O-N 3.42Å; L253-V255 PolarHBondContact O-N 3.42Å; L253-I256 HydrophobicContact CD2-CD1 4.46Å; L253-I256 WeakPolarHBondContact O-CB 3.41Å; L253-I256 PolarHBondContact O-N 3.45Å; L253-G257 PolarHBondContact O-N 2.93Å |
| 254 | L | 87.8 | Confident | 83 | Confident | 102 Ų | 102 | 54.1 Ų | 54.1 | 53% | 0.534 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 174.8 | -108.1 | 161.8 | 0 | 0 | 0 | 112.1 | L250 C251 G252 I256 G257 L258 | L250-L254 WeakPolarHBondContact O-CB 3.27Å; L250-L254 PolarHBondContact O-N 3.25Å; C251-L254 PolarHBondContact O-N 2.91Å; G252-L254 PolarHBondContact O-N 3.43Å; L254-I256 VanDerWaalsContact C-N 3.31Å; L254-I256 PolarHBondContact O-N 3.23Å; L254-G257 PolarHBondContact O-N 2.88Å; L254-L258 PolarHBondContact O-N 2.87Å |
| 255 | V | 87.1 | Confident | 82.1 | Confident | 39 Ų | 39 | 55.3 Ų | 55.3 | 24% | 0.236 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69 | -30.5 | 177.9 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | M1 L207 F211 C251 G252 L253 L258 A259 | M1-V255 HydrophobicContact CE-CG1 3.87Å; M1-V255 WeakPolarHBondContact CE-O 3.48Å; L207-V255 HydrophobicContact CD2-CG1 4.13Å; F211-V255 HydrophobicContact CE1-CB 3.69Å; F211-V255 HydrophobicContact CE1-CG1 3.82Å; F211-V255 HydrophobicContact CE1-CG2 3.85Å; F211-V255 HydrophobicContact CZ-CB 4.2Å; F211-V255 HydrophobicContact CZ-CG1 4.18Å; C251-V255 WeakPolarHBondContact O-CB 3.06Å; C251-V255 VanDerWaalsContact O-CG2 3.28Å; C251-V255 WeakPolarHBondContact O-CG2 3.41Å; C251-V255 PolarHBondContact O-N 2.86Å; G252-V255 PolarHBondContact O-N 2.89Å; L253-V255 PolarHBondContact O-N 3.42Å; V255-L258 PolarHBondContact O-N 3.39Å; V255-A259 WeakPolarHBondContact O-CB 3.49Å; V255-A259 PolarHBondContact O-N 3.24Å |
| 256 | I | 86.6 | Confident | 81 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 6% | 0.056 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.6 | -48.8 | 169.2 | -66.6 | 166 | 0 | 0 | 0 | 110.6 | M1 L21 L25 G252 L253 L254 L258 A259 F260 | M1-I256 HydrophobicContact CE-CB 4.21Å; M1-I256 HydrophobicContact CE-CG1 3.85Å; M1-I256 HydrophobicContact SD-CG1 4.26Å; L21-I256 HydrophobicContact CD2-CG2 4.05Å; L25-I256 HydrophobicContact CD2-CD1 4.05Å; L25-I256 HydrophobicContact CG-CD1 4.14Å; G252-I256 WeakPolarHBondContact O-CG1 3.41Å; G252-I256 PolarHBondContact O-N 3.21Å; L253-I256 HydrophobicContact CD2-CD1 4.46Å; L253-I256 WeakPolarHBondContact O-CB 3.41Å; L253-I256 PolarHBondContact O-N 3.45Å; L254-I256 VanDerWaalsContact C-N 3.31Å; L254-I256 PolarHBondContact O-N 3.23Å; I256-L258 PolarHBondContact O-N 2.73Å; I256-A259 PolarHBondContact O-N 3.43Å; I256-F260 HydrophobicContact CG2-CE2 4.05Å; I256-F260 VanDerWaalsContact O-CD2 3.31Å; I256-F260 WeakPolarHBondContact O-CD2 3.17Å; I256-F260 PolarHBondContact O-N 3.12Å |
| 257 | G | 81 | Confident | 79.8 | Confident | 45 Ų | 45 | 56 Ų | 56 | 46% | 0.464 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.6 | -47.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L253 L254 A259 F260 | L253-G257 PolarHBondContact O-N 2.93Å; L254-G257 PolarHBondContact O-N 2.88Å; G257-A259 VanDerWaalsContact C-N 3.32Å; G257-A259 PolarHBondContact O-N 2.96Å; G257-F260 PolarHBondContact O-N 3.29Å |
| 258 | L | 80.9 | Confident | 78.8 | Confident | 105 Ų | 105 | 56.5 Ų | 56.5 | 55% | 0.55 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.5 | -31.2 | 178.6 | -78.4 | 164 | 0 | 0 | 0 | 113.4 | L254 V255 I256 F260 A261 V262 | L254-L258 PolarHBondContact O-N 2.87Å; V255-L258 PolarHBondContact O-N 3.39Å; I256-L258 PolarHBondContact O-N 2.73Å; L258-F260 VanDerWaalsContact C-N 3.29Å; L258-F260 PolarHBondContact O-N 3.43Å; L258-A261 WeakPolarHBondContact O-CB 3.13Å; L258-A261 PolarHBondContact O-N 3.02Å; L258-A261 VanDerWaalsContact O-N 3.11Å; L258-V262 WeakPolarHBondContact O-CG2 3.06Å; L258-V262 PolarHBondContact O-N 3.06Å; L258-V262 VanDerWaalsContact O-N 3.12Å |
| 259 | A | 83.4 | Confident | 78 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67 | -30.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1 I20 V255 I256 G257 A261 V262 | M1-A259 HydrophobicContact CB-CB 4.12Å; M1-A259 HydrophobicContact CE-CB 3.27Å; M1-A259 HydrophobicContact CG-CB 4.48Å; I20-A259 HydrophobicContact CG2-CB 3.68Å; V255-A259 WeakPolarHBondContact O-CB 3.49Å; V255-A259 PolarHBondContact O-N 3.24Å; I256-A259 PolarHBondContact O-N 3.43Å; G257-A259 VanDerWaalsContact C-N 3.32Å; G257-A259 PolarHBondContact O-N 2.96Å; A259-A261 VanDerWaalsContact C-N 3.33Å; A259-V262 PolarHBondContact O-N 3.39Å |
| 260 | F | 80 | Confident | 77.3 | Confident | 82 Ų | 82 | 61 Ų | 61 | 36% | 0.36 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 170.7 | -74 | -66.3 | 0 | 0 | 0 | 111.7 | T17 I20 L21 I256 G257 L258 V262 G263 | T17-F260 HydrophobicContact CG2-CE1 3.54Å; T17-F260 HydrophobicContact CG2-CZ 3.88Å; I20-F260 HydrophobicContact CB-CE1 4.4Å; I20-F260 HydrophobicContact CB-CZ 4.36Å; I20-F260 HydrophobicContact CD1-CD1 4.24Å; I20-F260 HydrophobicContact CD1-CE1 4.28Å; I20-F260 HydrophobicContact CG2-CD2 4.49Å; I20-F260 HydrophobicContact CG2-CE1 4.35Å; I20-F260 HydrophobicContact CG2-CE2 4.15Å; I20-F260 HydrophobicContact CG2-CZ 4.08Å; L21-F260 HydrophobicContact CD1-CZ 4.14Å; L21-F260 HydrophobicContact CD2-CE2 4.49Å; L21-F260 HydrophobicContact CG-CE2 4.27Å; L21-F260 HydrophobicContact CG-CZ 3.92Å; I256-F260 HydrophobicContact CG2-CE2 4.05Å; I256-F260 VanDerWaalsContact O-CD2 3.31Å; I256-F260 WeakPolarHBondContact O-CD2 3.17Å; I256-F260 PolarHBondContact O-N 3.12Å; G257-F260 PolarHBondContact O-N 3.29Å; L258-F260 VanDerWaalsContact C-N 3.29Å; L258-F260 PolarHBondContact O-N 3.43Å; F260-V262 VanDerWaalsContact C-N 3.33Å; F260-V262 PolarHBondContact O-N 3.16Å; F260-G263 PolarHBondContact O-N 3.35Å |
| 261 | A | 74 | Confident | 76.7 | Confident | 60 Ų | 60 | 58.5 Ų | 58.5 | 50% | 0.496 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.4 | -34.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L258 A259 G263 A264 | L258-A261 WeakPolarHBondContact O-CB 3.13Å; L258-A261 PolarHBondContact O-N 3.02Å; L258-A261 VanDerWaalsContact O-N 3.11Å; A259-A261 VanDerWaalsContact C-N 3.33Å; A261-G263 PolarHBondContact O-N 3.17Å; A261-A264 PolarHBondContact O-N 2.61Å |
| 262 | V | 74 | Confident | 76.2 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 33% | 0.327 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.3 | -27.5 | 176.6 | 176 | 0 | 0 | 0 | 0 | 112.1 | Y2 L258 A259 F260 A264 V265 | Y2-V262 HydrophobicContact CD1-CG1 4Å; Y2-V262 HydrophobicContact CG-CB 4.45Å; Y2-V262 HydrophobicContact CG-CG1 3.94Å; L258-V262 WeakPolarHBondContact O-CG2 3.06Å; L258-V262 PolarHBondContact O-N 3.06Å; L258-V262 VanDerWaalsContact O-N 3.12Å; A259-V262 PolarHBondContact O-N 3.39Å; F260-V262 VanDerWaalsContact C-N 3.33Å; F260-V262 PolarHBondContact O-N 3.16Å; V262-A264 PolarHBondContact O-N 2.94Å; V262-V265 WeakPolarHBondContact O-CG2 3.33Å; V262-V265 PolarHBondContact O-N 3.29Å; V262-V265 VanDerWaalsContact O-N 3.12Å |
| 263 | G | 65.6 | Low | 75.7 | Confident | 31 Ų | 31 | 62 Ų | 62 | 32% | 0.32 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -28.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | F260 A261 V265 | F260-G263 PolarHBondContact O-N 3.35Å; A261-G263 PolarHBondContact O-N 3.17Å; G263-V265 VanDerWaalsContact C-N 3.26Å; G263-V265 PolarHBondContact O-N 3.39Å |
| 264 | A | 67.9 | Low | 75.5 | Confident | 92 Ų | 92 | 59.7 Ų | 59.7 | 76% | 0.76 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -10.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A261 V262 | A261-A264 PolarHBondContact O-N 2.61Å; V262-A264 PolarHBondContact O-N 2.94Å |
| 265 | V | 66.5 | Low | 75.2 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 31% | 0.309 | 33% | 0.331 | S | S | . | . | trans | -90.6 | 131.4 | -171.3 | -159.8 | 0 | 0 | 0 | 0 | 110.7 | K172 V262 G263 F267 I272 | K172-V265 PolarHBondContact NZ-O 3.13Å; V262-V265 WeakPolarHBondContact O-CG2 3.33Å; V262-V265 PolarHBondContact O-N 3.29Å; V262-V265 VanDerWaalsContact O-N 3.12Å; G263-V265 VanDerWaalsContact C-N 3.26Å; G263-V265 PolarHBondContact O-N 3.39Å; V265-F267 HydrophobicContact CG1-CD2 3.9Å; V265-I272 HydrophobicContact CB-CD1 4.32Å; V265-I272 HydrophobicContact CG1-CD1 3.81Å | ||
| 266 | K | 64 | Low | 75 | Confident | 203 Ų | 203 | 58 Ų | 58 | 88% | 0.883 | 34% | 0.343 | S | S | * | . | trans | -80.7 | -15.6 | -175.6 | -70.9 | -172 | 178.7 | -177.4 | 0 | 115.2 | ||||
| 267 | F | 64.7 | Low | 74.8 | Confident | 39 Ų | 39 | 60.5 Ų | 60.5 | 17% | 0.171 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -80.8 | 157.3 | -175.6 | -57.7 | -87.7 | 0 | 0 | 0 | 112.9 | V265 I272 I321 I325 T326 | V265-F267 HydrophobicContact CG1-CD2 3.9Å; F267-I272 HydrophobicContact CB-CD1 3.77Å; F267-I272 HydrophobicContact CB-CG1 3.87Å; F267-I321 HydrophobicContact CD2-CG2 4.48Å; F267-I321 HydrophobicContact CE2-CB 4.48Å; F267-I321 HydrophobicContact CE2-CG2 3.74Å; F267-I321 HydrophobicContact CZ-CG2 4.31Å; F267-I325 WeakPolarHBondContact CE1-O 3.22Å; F267-T326 HydrophobicContact CE1-CG2 4.03Å |
| 268 | S | 66.7 | Low | 75 | Confident | 32 Ų | 32 | 58.4 Ų | 58.4 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | trans | -63.3 | 145 | 175.2 | 86.3 | 0 | 0 | 0 | 0 | 111.2 | I270 Q271 I272 | S268-I270 PolarHBondContact O-N 2.82Å; S268-Q271 PolarHBondContact O-N 3.19Å; S268-Q271 PolarHBondContact OG-N 3.01Å; S268-I272 PolarHBondContact O-N 3.31Å | ||
| 269 | V | 70.4 | Confident | 75.4 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 20% | 0.2 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | -175.6 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | Y2 A3 D174 Q271 I272 S273 | Y2-V269 HydrophobicContact CD1-CG2 4.08Å; Y2-V269 HydrophobicContact CE1-CG2 4.46Å; A3-V269 HydrophobicContact CB-CG1 4.15Å; A3-V269 HydrophobicContact CB-CG2 4.37Å; D174-V269 PolarHBondContact OD2-N 2.93Å; V269-Q271 PolarHBondContact O-N 3.27Å; V269-I272 PolarHBondContact O-N 2.98Å; V269-S273 WeakPolarHBondContact O-CB 3.32Å; V269-S273 PolarHBondContact O-N 3.44Å; V269-S273 PolarHBondContact O-OG 3.4Å |
| 270 | I | 73.5 | Confident | 75.7 | Confident | 112 Ų | 112 | 56.6 Ų | 56.6 | 57% | 0.574 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | -178.4 | -104.6 | 171.1 | 0 | 0 | 0 | 112 | S268 S273 L274 | S268-I270 PolarHBondContact O-N 2.82Å; I270-S273 PolarHBondContact O-N 3.43Å; I270-L274 HydrophobicContact CG2-CD1 4.26Å; I270-L274 PolarHBondContact O-N 3.35Å |
| 271 | Q | 76.3 | Confident | 76.2 | Confident | 24 Ų | 24 | 53.3 Ų | 53.3 | 11% | 0.112 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.9 | -44.5 | -177.5 | -178.7 | 169.6 | -29.9 | 0 | 0 | 110.9 | S268 V269 S273 S275 Y375 | S268-Q271 PolarHBondContact O-N 3.19Å; S268-Q271 PolarHBondContact OG-N 3.01Å; V269-Q271 PolarHBondContact O-N 3.27Å; Q271-S273 VanDerWaalsContact C-N 3.29Å; Q271-S273 PolarHBondContact O-N 3.32Å; Q271-S275 VanDerWaalsContact O-CB 3.25Å; Q271-S275 WeakPolarHBondContact O-CB 3.33Å; Q271-S275 PolarHBondContact O-N 2.82Å; Q271-S275 PolarHBondContact O-OG 2.87Å; Q271-Y375 HydrophobicContact CG-CD1 4.02Å; Q271-Y375 HydrophobicContact CG-CE1 4.12Å; Q271-Y375 HydrophobicContact CG-CG 4.49Å |
| 272 | I | 76.7 | Confident | 77.1 | Confident | 37 Ų | 37 | 50.4 Ų | 50.4 | 19% | 0.19 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 175.4 | -68.3 | 164.9 | 0 | 0 | 0 | 109.6 | V265 F267 S268 V269 S275 I276 | V265-I272 HydrophobicContact CB-CD1 4.32Å; V265-I272 HydrophobicContact CG1-CD1 3.81Å; F267-I272 HydrophobicContact CB-CD1 3.77Å; F267-I272 HydrophobicContact CB-CG1 3.87Å; S268-I272 PolarHBondContact O-N 3.31Å; V269-I272 PolarHBondContact O-N 2.98Å; I272-S275 PolarHBondContact O-N 3.22Å; I272-I276 HydrophobicContact CG2-CD1 3.67Å; I272-I276 HydrophobicContact CG2-CG1 4.37Å; I272-I276 WeakPolarHBondContact O-CG1 3.13Å; I272-I276 PolarHBondContact O-N 2.92Å |
| 273 | S | 76.8 | Confident | 78.1 | Confident | 48 Ų | 48 | 47.9 Ų | 47.9 | 34% | 0.336 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.6 | -51.4 | -176.3 | -52.5 | 0 | 0 | 0 | 0 | 112.3 | V269 I270 Q271 S275 I276 F277 | V269-S273 WeakPolarHBondContact O-CB 3.32Å; V269-S273 PolarHBondContact O-N 3.44Å; V269-S273 PolarHBondContact O-OG 3.4Å; I270-S273 PolarHBondContact O-N 3.43Å; Q271-S273 VanDerWaalsContact C-N 3.29Å; Q271-S273 PolarHBondContact O-N 3.32Å; S273-S275 VanDerWaalsContact C-N 3.35Å; S273-I276 PolarHBondContact O-N 3.07Å; S273-F277 VanDerWaalsContact O-CD2 3.3Å; S273-F277 WeakPolarHBondContact O-CD2 3.44Å; S273-F277 PolarHBondContact O-N 2.98Å; S273-F277 VanDerWaalsContact O-N 3.15Å |
| 274 | L | 80.8 | Confident | 79.5 | Confident | 46 Ų | 46 | 48.5 Ų | 48.5 | 24% | 0.241 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.6 | -35.1 | -180 | -69.7 | 172.4 | 0 | 0 | 0 | 111.9 | T106 I270 F277 G278 Y375 | T106-L274 HydrophobicContact CG2-CD2 4.26Å; I270-L274 HydrophobicContact CG2-CD1 4.26Å; I270-L274 PolarHBondContact O-N 3.35Å; L274-F277 PolarHBondContact O-N 3.38Å; L274-G278 PolarHBondContact O-N 3.21Å; L274-Y375 HydrophobicContact CB-CD2 3.87Å; L274-Y375 HydrophobicContact CB-CE2 3.6Å; L274-Y375 HydrophobicContact CD1-CE2 3.75Å; L274-Y375 HydrophobicContact CG-CE2 4.33Å |
| 275 | S | 83.3 | Confident | 80.8 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -46.6 | 173.9 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | Q271 I272 S273 F277 G278 I279 Y375 | Q271-S275 VanDerWaalsContact O-CB 3.25Å; Q271-S275 WeakPolarHBondContact O-CB 3.33Å; Q271-S275 PolarHBondContact O-N 2.82Å; Q271-S275 PolarHBondContact O-OG 2.87Å; I272-S275 PolarHBondContact O-N 3.22Å; S273-S275 VanDerWaalsContact C-N 3.35Å; S275-F277 PolarHBondContact O-N 3.18Å; S275-G278 WeakPolarHBondContact O-CA 3.26Å; S275-G278 PolarHBondContact O-N 2.65Å; S275-G278 VanDerWaalsContact O-N 3.13Å; S275-I279 WeakPolarHBondContact O-CB 3.4Å; S275-I279 WeakPolarHBondContact O-CD1 3.47Å; S275-I279 WeakPolarHBondContact O-CG1 3.43Å; S275-I279 PolarHBondContact O-N 3.02Å; S275-Y375 WeakPolarHBondContact OG-CB 3.39Å |
| 276 | I | 82.9 | Confident | 82.1 | Confident | 92 Ų | 92 | 41.8 Ų | 41.8 | 47% | 0.472 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 179.5 | -69.8 | 169.8 | 0 | 0 | 0 | 111.2 | I272 S273 G278 I279 V280 | I272-I276 HydrophobicContact CG2-CD1 3.67Å; I272-I276 HydrophobicContact CG2-CG1 4.37Å; I272-I276 WeakPolarHBondContact O-CG1 3.13Å; I272-I276 PolarHBondContact O-N 2.92Å; S273-I276 PolarHBondContact O-N 3.07Å; I276-G278 VanDerWaalsContact C-N 3.27Å; I276-G278 PolarHBondContact O-N 2.94Å; I276-I279 PolarHBondContact O-N 3.24Å; I276-V280 PolarHBondContact O-N 3.49Å |
| 277 | F | 82.2 | Confident | 83.6 | Confident | 65 Ų | 65 | 33.7 Ų | 33.7 | 29% | 0.285 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.8 | -40.1 | 173.8 | -77.7 | -52.6 | 0 | 0 | 0 | 111.9 | L110 N114 S273 L274 S275 G281 | L110-F277 HydrophobicContact CD1-CB 4.2Å; L110-F277 HydrophobicContact CD1-CD1 4.5Å; L110-F277 HydrophobicContact CD1-CD2 3.89Å; L110-F277 HydrophobicContact CD1-CE2 4.38Å; L110-F277 HydrophobicContact CD1-CG 3.96Å; L110-F277 HydrophobicContact CD2-CE2 4.35Å; L110-F277 HydrophobicContact CD2-CZ 4.48Å; L110-F277 HydrophobicContact CG-CD2 4.47Å; L110-F277 HydrophobicContact CG-CG 4.47Å; N114-F277 VanDerWaalsContact ND2-CE1 3.35Å; N114-F277 WeakPolarHBondContact ND2-CE1 3.42Å; S273-F277 VanDerWaalsContact O-CD2 3.3Å; S273-F277 WeakPolarHBondContact O-CD2 3.44Å; S273-F277 PolarHBondContact O-N 2.98Å; S273-F277 VanDerWaalsContact O-N 3.15Å; L274-F277 PolarHBondContact O-N 3.38Å; S275-F277 PolarHBondContact O-N 3.18Å; F277-G281 WeakPolarHBondContact O-CA 3.46Å; F277-G281 PolarHBondContact O-N 3.33Å |
| 278 | G | 85.4 | Confident | 85 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.9 | -50.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L274 S275 I276 G282 S379 | L274-G278 PolarHBondContact O-N 3.21Å; S275-G278 WeakPolarHBondContact O-CA 3.26Å; S275-G278 PolarHBondContact O-N 2.65Å; S275-G278 VanDerWaalsContact O-N 3.13Å; I276-G278 VanDerWaalsContact C-N 3.27Å; I276-G278 PolarHBondContact O-N 2.94Å; G278-G282 PolarHBondContact O-N 3.25Å; G278-G282 VanDerWaalsContact O-N 3.13Å; G278-S379 WeakPolarHBondContact CA-OG 3.41Å |
| 279 | I | 89.2 | Confident | 86.3 | Confident | 6 Ų | 6 | 37.2 Ų | 37.2 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -50.8 | -174.7 | -69.4 | 158.6 | 0 | 0 | 0 | 111.2 | S275 I276 P283 T313 L314 Y378 | S275-I279 WeakPolarHBondContact O-CB 3.4Å; S275-I279 WeakPolarHBondContact O-CD1 3.47Å; S275-I279 WeakPolarHBondContact O-CG1 3.43Å; S275-I279 PolarHBondContact O-N 3.02Å; I276-I279 PolarHBondContact O-N 3.24Å; I279-P283 VanDerWaalsContact O-CD 3.24Å; I279-P283 WeakPolarHBondContact O-CD 3.32Å; I279-T313 WeakPolarHBondContact O-CB 3.16Å; I279-T313 PolarHBondContact O-OG1 3Å; I279-L314 HydrophobicContact CG2-CD2 3.76Å; I279-L314 HydrophobicContact CG2-CG 4Å; I279-Y378 HydrophobicContact CD1-CD2 4.4Å; I279-Y378 HydrophobicContact CG1-CD2 3.87Å; I279-Y378 HydrophobicContact CG1-CE2 4.43Å |
| 280 | V | 89.9 | Confident | 87.3 | Confident | 69 Ų | 69 | 35.7 Ų | 35.7 | 42% | 0.418 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -89.6 | -40.4 | -174 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | I276 P283 V284 L310 | I276-V280 PolarHBondContact O-N 3.49Å; V280-P283 WeakPolarHBondContact O-CD 3.23Å; V280-V284 WeakPolarHBondContact O-CG2 3.48Å; V280-L310 HydrophobicContact CB-CD1 4.42Å; V280-L310 HydrophobicContact CG1-CD1 4.23Å |
| 281 | G | 89.7 | Confident | 88.1 | Confident | 12 Ų | 12 | 32.7 Ų | 32.7 | 12% | 0.124 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -79.3 | -26.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T109 F277 V284 L285 | T109-G281 WeakPolarHBondContact CG2-O 3.32Å; F277-G281 WeakPolarHBondContact O-CA 3.46Å; F277-G281 PolarHBondContact O-N 3.33Å; G281-V284 PolarHBondContact O-N 2.85Å; G281-L285 WeakPolarHBondContact O-CB 3.36Å; G281-L285 PolarHBondContact O-N 3.13Å |
| 282 | G | 93.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.2 | -55.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G278 V284 L285 G286 S379 V383 | G278-G282 PolarHBondContact O-N 3.25Å; G278-G282 VanDerWaalsContact O-N 3.13Å; G282-V284 VanDerWaalsContact C-N 3.32Å; G282-V284 PolarHBondContact O-N 3.23Å; G282-L285 PolarHBondContact O-N 3.42Å; G282-G286 PolarHBondContact O-N 2.73Å; G282-S379 WeakPolarHBondContact CA-O 3.48Å; G282-V383 WeakPolarHBondContact O-CG2 3.39Å; G282-V383 PolarHBondContact O-N 3.46Å |
| 283 | P | 95.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.3 | -39.1 | 176.3 | -26.9 | 35.8 | 0 | 0 | 0 | 113.6 | I279 V280 G286 T287 I306 L310 T313 T386 | I279-P283 VanDerWaalsContact O-CD 3.24Å; I279-P283 WeakPolarHBondContact O-CD 3.32Å; V280-P283 WeakPolarHBondContact O-CD 3.23Å; P283-G286 PolarHBondContact O-N 2.9Å; P283-T287 PolarHBondContact O-N 3.05Å; P283-T287 PolarHBondContact O-OG1 3.33Å; P283-I306 HydrophobicContact CB-CG1 4.27Å; P283-L310 HydrophobicContact CB-CB 4.43Å; P283-L310 HydrophobicContact CG-CB 4.36Å; P283-L310 HydrophobicContact CG-CD1 4.3Å; P283-T313 HydrophobicContact CG-CG2 4.31Å; P283-T386 WeakPolarHBondContact CA-OG1 3.17Å; P283-T386 WeakPolarHBondContact CB-OG1 3.31Å |
| 284 | V | 93.9 | Very high | 90.2 | Very high | 44 Ų | 44 | 37.3 Ų | 37.3 | 27% | 0.267 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63 | -47 | 175.9 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | V113 V280 G281 G282 G286 T287 F288 I306 | V113-V284 HydrophobicContact CB-CG1 4.1Å; V113-V284 HydrophobicContact CG2-CG1 4.26Å; V280-V284 WeakPolarHBondContact O-CG2 3.48Å; G281-V284 PolarHBondContact O-N 2.85Å; G282-V284 VanDerWaalsContact C-N 3.32Å; G282-V284 PolarHBondContact O-N 3.23Å; V284-G286 VanDerWaalsContact C-N 3.34Å; V284-G286 PolarHBondContact O-N 3.36Å; V284-T287 WeakPolarHBondContact O-CB 3.45Å; V284-T287 PolarHBondContact O-N 3.42Å; V284-F288 HydrophobicContact CG1-CD2 4.06Å; V284-F288 HydrophobicContact CG1-CE2 4.07Å; V284-F288 WeakPolarHBondContact O-CD2 3.3Å; V284-F288 PolarHBondContact O-N 2.59Å; V284-F288 VanDerWaalsContact O-N 3.09Å; V284-I306 HydrophobicContact CG2-CD1 4.33Å |
| 285 | L | 94.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 175.8 | 178.7 | 62.1 | 0 | 0 | 0 | 111.8 | F105 L108 T109 T112 V113 G281 G282 T287 F288 I289 V383 | F105-L285 HydrophobicContact CD1-CD2 4.35Å; L108-L285 HydrophobicContact CB-CD2 3.92Å; L108-L285 HydrophobicContact CD2-CD1 4.17Å; L108-L285 HydrophobicContact CD2-CD2 4.31Å; T109-L285 WeakPolarHBondContact OG1-CD2 3.42Å; T112-L285 WeakPolarHBondContact OG1-CD1 3.45Å; V113-L285 HydrophobicContact CG1-CB 4.49Å; V113-L285 HydrophobicContact CG1-CD1 3.88Å; V113-L285 HydrophobicContact CG2-CB 4.01Å; V113-L285 HydrophobicContact CG2-CD1 4.35Å; G281-L285 WeakPolarHBondContact O-CB 3.36Å; G281-L285 PolarHBondContact O-N 3.13Å; G282-L285 PolarHBondContact O-N 3.42Å; L285-T287 VanDerWaalsContact C-N 3.26Å; L285-T287 PolarHBondContact O-N 3.34Å; L285-F288 PolarHBondContact O-N 2.83Å; L285-I289 HydrophobicContact CD1-CD1 4.09Å; L285-I289 HydrophobicContact CD1-CG1 4.18Å; L285-I289 HydrophobicContact CD2-CD1 4.46Å; L285-I289 HydrophobicContact CG-CD1 3.87Å; L285-I289 HydrophobicContact CG-CG1 4.38Å; L285-I289 WeakPolarHBondContact O-CG1 3.41Å; L285-I289 PolarHBondContact O-N 3.36Å; L285-V383 HydrophobicContact CB-CG2 3.84Å; L285-V383 HydrophobicContact CD2-CG2 3.74Å; L285-V383 HydrophobicContact CG-CG2 3.79Å |
| 286 | G | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.3 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G282 P283 V284 I289 M290 | G282-G286 PolarHBondContact O-N 2.73Å; P283-G286 PolarHBondContact O-N 2.9Å; V284-G286 VanDerWaalsContact C-N 3.34Å; V284-G286 PolarHBondContact O-N 3.36Å; G286-I289 PolarHBondContact O-N 2.83Å; G286-M290 VanDerWaalsContact O-CB 3.22Å; G286-M290 WeakPolarHBondContact O-CB 3.44Å; G286-M290 PolarHBondContact O-N 2.66Å |
| 287 | T | 94.9 | Very high | 90.9 | Very high | 34 Ų | 34 | 36.4 Ų | 36.4 | 21% | 0.209 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.8 | -42.4 | 177.2 | -47.2 | 0 | 0 | 0 | 0 | 111.8 | P283 V284 L285 M290 G291 I306 | P283-T287 PolarHBondContact O-N 3.05Å; P283-T287 PolarHBondContact O-OG1 3.33Å; V284-T287 WeakPolarHBondContact O-CB 3.45Å; V284-T287 PolarHBondContact O-N 3.42Å; L285-T287 VanDerWaalsContact C-N 3.26Å; L285-T287 PolarHBondContact O-N 3.34Å; T287-M290 PolarHBondContact O-N 3.23Å; T287-G291 PolarHBondContact O-N 2.93Å; T287-I306 WeakPolarHBondContact OG1-CB 3.35Å |
| 288 | F | 93.5 | Very high | 91.4 | Very high | 108 Ų | 108 | 34.1 Ų | 34.1 | 47% | 0.474 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.2 | -43.3 | 175.6 | -91.2 | -85.4 | 0 | 0 | 0 | 112.6 | V113 V284 L285 M290 G291 M292 | V113-F288 HydrophobicContact CB-CD2 4.11Å; V113-F288 HydrophobicContact CB-CE2 4.33Å; V113-F288 HydrophobicContact CG1-CB 3.78Å; V113-F288 HydrophobicContact CG1-CD1 4.39Å; V113-F288 HydrophobicContact CG1-CD2 3.36Å; V113-F288 HydrophobicContact CG1-CE2 3.98Å; V113-F288 HydrophobicContact CG1-CG 3.59Å; V284-F288 HydrophobicContact CG1-CD2 4.06Å; V284-F288 HydrophobicContact CG1-CE2 4.07Å; V284-F288 WeakPolarHBondContact O-CD2 3.3Å; V284-F288 PolarHBondContact O-N 2.59Å; V284-F288 VanDerWaalsContact O-N 3.09Å; L285-F288 PolarHBondContact O-N 2.83Å; F288-M290 VanDerWaalsContact C-N 3.32Å; F288-M290 PolarHBondContact O-N 3.42Å; F288-G291 PolarHBondContact O-N 3.33Å; F288-M292 HydrophobicContact CB-CE 3.78Å; F288-M292 HydrophobicContact CD1-CE 4.06Å; F288-M292 HydrophobicContact CG-CE 4.41Å; F288-M292 WeakPolarHBondContact O-CB 3.33Å; F288-M292 WeakPolarHBondContact O-CE 3.46Å; F288-M292 WeakPolarHBondContact O-CG 3.33Å; F288-M292 PolarHBondContact O-N 2.94Å |
| 289 | I | 94.3 | Very high | 91.7 | Very high | 36 Ų | 36 | 38.8 Ų | 38.8 | 19% | 0.185 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.8 | -45.6 | 175.8 | -68.6 | 170.9 | 0 | 0 | 0 | 109.8 | L285 G286 G291 M292 F293 V383 L387 | L285-I289 HydrophobicContact CD1-CD1 4.09Å; L285-I289 HydrophobicContact CD1-CG1 4.18Å; L285-I289 HydrophobicContact CD2-CD1 4.46Å; L285-I289 HydrophobicContact CG-CD1 3.87Å; L285-I289 HydrophobicContact CG-CG1 4.38Å; L285-I289 WeakPolarHBondContact O-CG1 3.41Å; L285-I289 PolarHBondContact O-N 3.36Å; G286-I289 PolarHBondContact O-N 2.83Å; I289-G291 PolarHBondContact O-N 3.03Å; I289-M292 PolarHBondContact O-N 3.4Å; I289-F293 HydrophobicContact CG2-CD2 4.05Å; I289-F293 WeakPolarHBondContact O-CB 3.29Å; I289-F293 WeakPolarHBondContact O-CD2 3.4Å; I289-F293 PolarHBondContact O-N 2.92Å; I289-V383 HydrophobicContact CD1-CG1 4.03Å; I289-L387 HydrophobicContact CG2-CD1 4.09Å; I289-L387 HydrophobicContact CG2-CD2 4.22Å |
| 290 | M | 92.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.9 | -47.3 | 176.6 | -174.1 | 161.6 | 40.6 | 0 | 0 | 111.4 | G286 T287 F288 M292 L294 T297 T386 L387 | G286-M290 VanDerWaalsContact O-CB 3.22Å; G286-M290 WeakPolarHBondContact O-CB 3.44Å; G286-M290 PolarHBondContact O-N 2.66Å; T287-M290 PolarHBondContact O-N 3.23Å; F288-M290 VanDerWaalsContact C-N 3.32Å; F288-M290 PolarHBondContact O-N 3.42Å; M290-M292 PolarHBondContact O-N 3.27Å; M290-L294 HydrophobicContact CB-CD1 4.41Å; M290-L294 HydrophobicContact CG-CB 4.33Å; M290-L294 HydrophobicContact CG-CD1 4Å; M290-L294 CarbonylContact O-C 3.56Å; M290-L294 WeakPolarHBondContact O-CA 3.37Å; M290-L294 VanDerWaalsContact O-CB 3.3Å; M290-L294 WeakPolarHBondContact O-CB 3.16Å; M290-L294 PolarHBondContact O-N 3.47Å; M290-T297 HydrophobicContact CE-CG2 4.45Å; M290-T297 HydrophobicContact CG-CG2 3.55Å; M290-T297 VanDerWaalsContact CG-OG1 3.23Å; M290-T297 WeakPolarHBondContact CG-OG1 3.37Å; M290-T297 HydrophobicContact SD-CG2 3.44Å; M290-T297 WeakPolarHBondContact SD-CG2 3.38Å; M290-T386 HydrophobicContact CE-CG2 4.03Å; M290-L387 HydrophobicContact CB-CD2 3.79Å; M290-L387 HydrophobicContact CG-CD2 4.37Å |
| 291 | G | 90.6 | Very high | 92.1 | Very high | 48 Ų | 48 | 42 Ų | 42 | 50% | 0.495 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65 | -35.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | T287 F288 I289 | T287-G291 PolarHBondContact O-N 2.93Å; F288-G291 PolarHBondContact O-N 3.33Å; I289-G291 PolarHBondContact O-N 3.03Å |
| 292 | M | 90.9 | Very high | 92.3 | Very high | 71 Ų | 71 | 42.7 Ų | 42.7 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -83.1 | -29 | -177.7 | -76.2 | -175.4 | -87.2 | 0 | 0 | 114.1 | F288 I289 M290 S411 | F288-M292 HydrophobicContact CB-CE 3.78Å; F288-M292 HydrophobicContact CD1-CE 4.06Å; F288-M292 HydrophobicContact CG-CE 4.41Å; F288-M292 WeakPolarHBondContact O-CB 3.33Å; F288-M292 WeakPolarHBondContact O-CE 3.46Å; F288-M292 WeakPolarHBondContact O-CG 3.33Å; F288-M292 PolarHBondContact O-N 2.94Å; I289-M292 PolarHBondContact O-N 3.4Å; M290-M292 PolarHBondContact O-N 3.27Å; M292-S411 PolarHBondContact O-N 2.93Å; M292-S411 VanDerWaalsContact O-N 3.09Å |
| 293 | F | 91.5 | Very high | 92.4 | Very high | 89 Ų | 89 | 47.2 Ų | 47.2 | 39% | 0.39 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -116.9 | -22 | -171 | -67.3 | -89.4 | 0 | 0 | 0 | 114.9 | I289 P295 V414 | I289-F293 HydrophobicContact CG2-CD2 4.05Å; I289-F293 WeakPolarHBondContact O-CB 3.29Å; I289-F293 WeakPolarHBondContact O-CD2 3.4Å; I289-F293 PolarHBondContact O-N 2.92Å; F293-P295 WeakPolarHBondContact O-CD 3.09Å; F293-V414 HydrophobicContact CD1-CG2 3.95Å |
| 294 | L | 89.8 | Confident | 92.3 | Very high | 46 Ų | 46 | 48.3 Ų | 48.3 | 24% | 0.241 | 26% | 0.263 | C | S | . | . | trans | -114.4 | 81.4 | -177.3 | -55.9 | 178 | 0 | 0 | 0 | 110.6 | M290 F296 T297 L387 | M290-L294 HydrophobicContact CB-CD1 4.41Å; M290-L294 HydrophobicContact CG-CB 4.33Å; M290-L294 HydrophobicContact CG-CD1 4Å; M290-L294 CarbonylContact O-C 3.56Å; M290-L294 WeakPolarHBondContact O-CA 3.37Å; M290-L294 VanDerWaalsContact O-CB 3.3Å; M290-L294 WeakPolarHBondContact O-CB 3.16Å; M290-L294 PolarHBondContact O-N 3.47Å; L294-F296 HydrophobicContact CB-CD1 4.33Å; L294-F296 HydrophobicContact CB-CE1 3.88Å; L294-F296 HydrophobicContact CB-CZ 4.06Å; L294-F296 HydrophobicContact CD1-CZ 4.21Å; L294-F296 HydrophobicContact CD2-CE1 3.68Å; L294-F296 HydrophobicContact CD2-CZ 3.97Å; L294-F296 HydrophobicContact CG-CE1 4.26Å; L294-F296 HydrophobicContact CG-CZ 4.31Å; L294-F296 PolarHBondContact O-N 3.35Å; L294-T297 WeakPolarHBondContact CB-OG1 3.44Å; L294-T297 PolarHBondContact O-N 3.27Å; L294-T297 VanDerWaalsContact O-N 3.09Å; L294-T297 PolarHBondContact O-OG1 3.39Å; L294-L387 HydrophobicContact CD1-CD2 3.55Å | ||
| 295 | P | 85.3 | Confident | 92.4 | Very high | 33 Ų | 33 | 46.2 Ų | 46.2 | 21% | 0.214 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -8.9 | -175.6 | 27.5 | -35.7 | 0 | 0 | 0 | 114.3 | F293 G402 L410 | F293-P295 WeakPolarHBondContact O-CD 3.09Å; P295-G402 WeakPolarHBondContact O-CA 3.42Å; P295-L410 HydrophobicContact CB-CD1 4.39Å; P295-L410 HydrophobicContact CB-CD2 4.06Å |
| 296 | F | 88.1 | Confident | 92.5 | Very high | 79 Ų | 79 | 48.7 Ų | 48.7 | 35% | 0.346 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -13.2 | 176.6 | 65.1 | -98.6 | 0 | 0 | 0 | 113.4 | L294 N298 A391 C399 Q400 | L294-F296 HydrophobicContact CB-CD1 4.33Å; L294-F296 HydrophobicContact CB-CE1 3.88Å; L294-F296 HydrophobicContact CB-CZ 4.06Å; L294-F296 HydrophobicContact CD1-CZ 4.21Å; L294-F296 HydrophobicContact CD2-CE1 3.68Å; L294-F296 HydrophobicContact CD2-CZ 3.97Å; L294-F296 HydrophobicContact CG-CE1 4.26Å; L294-F296 HydrophobicContact CG-CZ 4.31Å; L294-F296 PolarHBondContact O-N 3.35Å; F296-N298 PolarHBondContact O-N 2.85Å; F296-A391 HydrophobicContact CE2-CB 4.22Å; F296-A391 HydrophobicContact CZ-CB 4.48Å; F296-C399 HydrophobicContact CB-CB 4.14Å; F296-C399 CarbonylContact O-C 3.12Å; F296-C399 WeakPolarHBondContact O-CA 3.47Å; F296-Q400 WeakPolarHBondContact CA-O 3.33Å; F296-Q400 PolarHBondContact O-N 2.99Å |
| 297 | T | 89.8 | Confident | 92.5 | Very high | 20 Ų | 20 | 53.6 Ų | 53.6 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | trans | -70.2 | 128 | -179.4 | -52.6 | 0 | 0 | 0 | 0 | 110.5 | M290 L294 A302 S394 | M290-T297 HydrophobicContact CE-CG2 4.45Å; M290-T297 HydrophobicContact CG-CG2 3.55Å; M290-T297 VanDerWaalsContact CG-OG1 3.23Å; M290-T297 WeakPolarHBondContact CG-OG1 3.37Å; M290-T297 HydrophobicContact SD-CG2 3.44Å; M290-T297 WeakPolarHBondContact SD-CG2 3.38Å; L294-T297 WeakPolarHBondContact CB-OG1 3.44Å; L294-T297 PolarHBondContact O-N 3.27Å; L294-T297 VanDerWaalsContact O-N 3.09Å; L294-T297 PolarHBondContact O-OG1 3.39Å; T297-A302 HydrophobicContact CG2-CB 4.49Å; T297-S394 WeakPolarHBondContact CA-OG 3.43Å; T297-S394 VanDerWaalsContact CG2-OG 3.3Å; T297-S394 WeakPolarHBondContact CG2-OG 3.5Å | ||
| 298 | N | 91.7 | Very high | 92.5 | Very high | 17 Ų | 17 | 55.8 Ų | 55.8 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | trans | -95.7 | 169.1 | 176.5 | 70 | 10.9 | 0 | 0 | 0 | 111.9 | F296 K300 G301 A302 S394 T397 G398 Q400 | F296-N298 PolarHBondContact O-N 2.85Å; N298-K300 VanDerWaalsContact C-N 3.3Å; N298-K300 PolarHBondContact O-N 3.03Å; N298-K300 PolarHBondContact OD1-N 3.17Å; N298-G301 PolarHBondContact O-N 2.95Å; N298-G301 PolarHBondContact OD1-N 3.14Å; N298-A302 PolarHBondContact O-N 3.43Å; N298-S394 PolarHBondContact N-OG 3.48Å; N298-S394 PolarHBondContact OD1-OG 3.27Å; N298-T397 PolarHBondContact ND2-OG1 3.44Å; N298-T397 PolarHBondContact OD1-OG1 3.48Å; N298-G398 PolarHBondContact ND2-O 3.48Å; N298-Q400 HydrophobicContact CB-CB 4.09Å | ||
| 299 | T | 92.5 | Very high | 92.6 | Very high | 99 Ų | 99 | 50.7 Ų | 50.7 | 61% | 0.607 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -57.9 | -38.4 | -178.6 | -45.2 | 0 | 0 | 0 | 0 | 113.4 | A302 I303 | T299-A302 PolarHBondContact O-N 3.09Å; T299-I303 HydrophobicContact CG2-CD1 4.04Å; T299-I303 WeakPolarHBondContact O-CG1 3.5Å; T299-I303 PolarHBondContact O-N 3.35Å |
| 300 | K | 92.6 | Very high | 92.6 | Very high | 141 Ų | 141 | 51.5 Ų | 51.5 | 61% | 0.613 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.9 | -44.9 | -179.9 | -67.5 | -179.5 | -179.1 | 177.1 | 0 | 111.5 | N298 I303 A304 T397 | N298-K300 VanDerWaalsContact C-N 3.3Å; N298-K300 PolarHBondContact O-N 3.03Å; N298-K300 PolarHBondContact OD1-N 3.17Å; K300-I303 PolarHBondContact O-N 3.44Å; K300-A304 WeakPolarHBondContact O-CB 3.23Å; K300-A304 PolarHBondContact O-N 2.99Å; K300-T397 HydrophobicContact CB-CG2 4.4Å; K300-T397 HydrophobicContact CD-CG2 4.13Å |
| 301 | G | 93.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N298 I303 A304 G305 G390 S394 | N298-G301 PolarHBondContact O-N 2.95Å; N298-G301 PolarHBondContact OD1-N 3.14Å; G301-I303 PolarHBondContact O-N 3.47Å; G301-A304 PolarHBondContact O-N 3.06Å; G301-G305 PolarHBondContact O-N 2.91Å; G301-G390 VanDerWaalsContact O-CA 3.23Å; G301-G390 WeakPolarHBondContact O-CA 3.31Å; G301-S394 WeakPolarHBondContact CA-OG 3.45Å |
| 302 | A | 94.3 | Very high | 92.9 | Very high | 27 Ų | 27 | 57.2 Ų | 57.2 | 22% | 0.223 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T297 N298 T299 G305 I306 | T297-A302 HydrophobicContact CG2-CB 4.49Å; N298-A302 PolarHBondContact O-N 3.43Å; T299-A302 PolarHBondContact O-N 3.09Å; A302-G305 PolarHBondContact O-N 3.43Å; A302-I306 PolarHBondContact O-N 2.89Å; A302-I306 VanDerWaalsContact O-N 3.11Å |
| 303 | I | 94.7 | Very high | 93.1 | Very high | 95 Ų | 95 | 53.9 Ų | 53.9 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65 | -45.6 | 177.7 | -68 | 169.3 | 0 | 0 | 0 | 111.3 | T299 K300 G301 G305 I306 L307 | T299-I303 HydrophobicContact CG2-CD1 4.04Å; T299-I303 WeakPolarHBondContact O-CG1 3.5Å; T299-I303 PolarHBondContact O-N 3.35Å; K300-I303 PolarHBondContact O-N 3.44Å; G301-I303 PolarHBondContact O-N 3.47Å; I303-G305 VanDerWaalsContact C-N 3.34Å; I303-G305 PolarHBondContact O-N 3.27Å; I303-I306 WeakPolarHBondContact O-CG2 3.44Å; I303-L307 HydrophobicContact CG2-CD1 3.83Å; I303-L307 WeakPolarHBondContact O-CB 3.2Å; I303-L307 WeakPolarHBondContact O-CG 3.07Å; I303-L307 PolarHBondContact O-N 3.47Å; I303-L307 VanDerWaalsContact O-N 3.13Å |
| 304 | A | 95 | Very high | 93 | Very high | 24 Ų | 24 | 52.6 Ų | 52.6 | 20% | 0.198 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K300 G301 L307 I308 V393 | K300-A304 WeakPolarHBondContact O-CB 3.23Å; K300-A304 PolarHBondContact O-N 2.99Å; G301-A304 PolarHBondContact O-N 3.06Å; A304-L307 PolarHBondContact O-N 3.03Å; A304-I308 WeakPolarHBondContact O-CB 3.23Å; A304-I308 VanDerWaalsContact O-CG1 3.27Å; A304-I308 WeakPolarHBondContact O-CG1 3.41Å; A304-I308 PolarHBondContact O-N 3.34Å; A304-V393 HydrophobicContact CB-CB 4.08Å; A304-V393 HydrophobicContact CB-CG1 3.83Å; A304-V393 HydrophobicContact CB-CG2 3.85Å |
| 305 | G | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | G301 A302 I303 G309 T386 T389 | G301-G305 PolarHBondContact O-N 2.91Å; A302-G305 PolarHBondContact O-N 3.43Å; I303-G305 VanDerWaalsContact C-N 3.34Å; I303-G305 PolarHBondContact O-N 3.27Å; G305-G309 PolarHBondContact O-N 2.62Å; G305-T386 WeakPolarHBondContact O-CA 3.16Å; G305-T386 WeakPolarHBondContact O-CB 3.48Å; G305-T386 WeakPolarHBondContact O-CG2 3.33Å; G305-T386 PolarHBondContact O-OG1 2.92Å; G305-T389 WeakPolarHBondContact CA-OG1 3.34Å |
| 306 | I | 95.6 | Very high | 93.4 | Very high | 54 Ų | 54 | 54.1 Ų | 54.1 | 28% | 0.277 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.7 | -40.2 | 178.9 | -161.9 | 172.2 | 0 | 0 | 0 | 111.7 | P283 V284 T287 A302 I303 L310 | P283-I306 HydrophobicContact CB-CG1 4.27Å; V284-I306 HydrophobicContact CG2-CD1 4.33Å; T287-I306 WeakPolarHBondContact OG1-CB 3.35Å; A302-I306 PolarHBondContact O-N 2.89Å; A302-I306 VanDerWaalsContact O-N 3.11Å; I303-I306 WeakPolarHBondContact O-CG2 3.44Å; I306-L310 WeakPolarHBondContact O-CB 3.16Å; I306-L310 PolarHBondContact O-N 3.06Å |
| 307 | L | 95.1 | Very high | 93.4 | Very high | 103 Ų | 103 | 50.5 Ų | 50.5 | 54% | 0.539 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.3 | -50.8 | 179.4 | -74 | 173.5 | 0 | 0 | 0 | 111.8 | I303 A304 G309 L310 T311 | I303-L307 HydrophobicContact CG2-CD1 3.83Å; I303-L307 WeakPolarHBondContact O-CB 3.2Å; I303-L307 WeakPolarHBondContact O-CG 3.07Å; I303-L307 PolarHBondContact O-N 3.47Å; I303-L307 VanDerWaalsContact O-N 3.13Å; A304-L307 PolarHBondContact O-N 3.03Å; L307-G309 VanDerWaalsContact C-N 3.34Å; L307-G309 PolarHBondContact O-N 3.14Å; L307-L310 PolarHBondContact O-N 3.06Å; L307-T311 PolarHBondContact O-N 3.33Å; L307-T311 PolarHBondContact O-OG1 3.14Å |
| 308 | I | 96.5 | Very high | 93.1 | Very high | 80 Ų | 80 | 55.5 Ų | 55.5 | 41% | 0.41 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 179.6 | -63.8 | 166.8 | 0 | 0 | 0 | 110.2 | A304 L310 T311 F312 V385 T389 | A304-I308 WeakPolarHBondContact O-CB 3.23Å; A304-I308 VanDerWaalsContact O-CG1 3.27Å; A304-I308 WeakPolarHBondContact O-CG1 3.41Å; A304-I308 PolarHBondContact O-N 3.34Å; I308-L310 PolarHBondContact O-N 2.85Å; I308-T311 PolarHBondContact O-N 3.44Å; I308-F312 VanDerWaalsContact O-CB 3.31Å; I308-F312 WeakPolarHBondContact O-CB 3.38Å; I308-F312 PolarHBondContact O-N 3.14Å; I308-V385 HydrophobicContact CG2-CG1 4.22Å; I308-T389 HydrophobicContact CD1-CG2 4.42Å; I308-T389 HydrophobicContact CG2-CG2 3.95Å |
| 309 | G | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58 | -48.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G305 L307 F312 T313 | G305-G309 PolarHBondContact O-N 2.62Å; L307-G309 VanDerWaalsContact C-N 3.34Å; L307-G309 PolarHBondContact O-N 3.14Å; G309-F312 PolarHBondContact O-N 3.13Å; G309-T313 WeakPolarHBondContact O-CG2 3.25Å; G309-T313 PolarHBondContact O-N 3.16Å; G309-T313 PolarHBondContact O-OG1 3.11Å |
| 310 | L | 93.9 | Very high | 92.3 | Very high | 53 Ų | 53 | 51 Ų | 51 | 28% | 0.277 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 179.7 | -166.3 | 76.3 | 0 | 0 | 0 | 112.2 | V280 P283 I306 L307 I308 F312 T313 L314 | V280-L310 HydrophobicContact CB-CD1 4.42Å; V280-L310 HydrophobicContact CG1-CD1 4.23Å; P283-L310 HydrophobicContact CB-CB 4.43Å; P283-L310 HydrophobicContact CG-CB 4.36Å; P283-L310 HydrophobicContact CG-CD1 4.3Å; I306-L310 WeakPolarHBondContact O-CB 3.16Å; I306-L310 PolarHBondContact O-N 3.06Å; L307-L310 PolarHBondContact O-N 3.06Å; I308-L310 PolarHBondContact O-N 2.85Å; L310-F312 VanDerWaalsContact C-N 3.33Å; L310-F312 PolarHBondContact O-N 2.9Å; L310-T313 PolarHBondContact O-OG1 3.22Å; L310-L314 HydrophobicContact CD2-CD1 4.36Å; L310-L314 HydrophobicContact CG-CD1 3.95Å; L310-L314 HydrophobicContact CG-CG 4.42Å; L310-L314 WeakPolarHBondContact O-CB 3.48Å; L310-L314 WeakPolarHBondContact O-CD1 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 3.41Å |
| 311 | T | 95 | Very high | 91.6 | Very high | 99 Ų | 99 | 47.4 Ų | 47.4 | 61% | 0.607 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.6 | -43.9 | 176 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | L307 I308 L314 W315 | L307-T311 PolarHBondContact O-N 3.33Å; L307-T311 PolarHBondContact O-OG1 3.14Å; I308-T311 PolarHBondContact O-N 3.44Å; T311-L314 PolarHBondContact O-N 2.96Å; T311-W315 WeakPolarHBondContact O-CB 3.31Å; T311-W315 PolarHBondContact O-N 3.3Å |
| 312 | F | 95.1 | Very high | 90.9 | Very high | 71 Ų | 71 | 51.7 Ų | 51.7 | 31% | 0.311 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.1 | -46.2 | -179.7 | -170.3 | -90.4 | 0 | 0 | 0 | 112 | I308 G309 L310 W315 L316 I381 V385 | I308-F312 VanDerWaalsContact O-CB 3.31Å; I308-F312 WeakPolarHBondContact O-CB 3.38Å; I308-F312 PolarHBondContact O-N 3.14Å; G309-F312 PolarHBondContact O-N 3.13Å; L310-F312 VanDerWaalsContact C-N 3.33Å; L310-F312 PolarHBondContact O-N 2.9Å; F312-W315 HydrophobicContact CD2-CE3 4.29Å; F312-W315 HydrophobicContact CD2-CZ3 4.48Å; F312-W315 HydrophobicContact CE2-CE3 4.12Å; F312-W315 AromaticContact CE2-CZ3 3.86Å; F312-W315 HydrophobicContact CE2-CZ3 3.86Å; F312-W315 HydrophobicContact CZ-CE3 4.41Å; F312-W315 HydrophobicContact CZ-CZ3 4Å; F312-W315 PolarHBondContact O-N 3.04Å; F312-L316 WeakPolarHBondContact O-CB 3.37Å; F312-L316 PolarHBondContact O-N 2.74Å; F312-I381 HydrophobicContact CD1-CG2 4.09Å; F312-I381 HydrophobicContact CE1-CG2 3.85Å; F312-V385 HydrophobicContact CB-CG1 4.37Å; F312-V385 HydrophobicContact CD1-CG2 4.09Å; F312-V385 HydrophobicContact CE1-CG2 4.42Å |
| 313 | T | 93.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.5 | -33.3 | 179 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | I279 P283 G309 L310 L316 G317 | I279-T313 WeakPolarHBondContact O-CB 3.16Å; I279-T313 PolarHBondContact O-OG1 3Å; P283-T313 HydrophobicContact CG-CG2 4.31Å; G309-T313 WeakPolarHBondContact O-CG2 3.25Å; G309-T313 PolarHBondContact O-N 3.16Å; G309-T313 PolarHBondContact O-OG1 3.11Å; L310-T313 PolarHBondContact O-OG1 3.22Å; T313-L316 PolarHBondContact O-N 2.97Å; T313-G317 PolarHBondContact O-N 2.89Å |
| 314 | L | 90.8 | Very high | 89.3 | Confident | 62 Ų | 62 | 48 Ų | 48 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 171.5 | -79.1 | 168.3 | 0 | 0 | 0 | 111 | I279 L310 T311 G317 F318 | I279-L314 HydrophobicContact CG2-CD2 3.76Å; I279-L314 HydrophobicContact CG2-CG 4Å; L310-L314 HydrophobicContact CD2-CD1 4.36Å; L310-L314 HydrophobicContact CG-CD1 3.95Å; L310-L314 HydrophobicContact CG-CG 4.42Å; L310-L314 WeakPolarHBondContact O-CB 3.48Å; L310-L314 WeakPolarHBondContact O-CD1 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 3.41Å; T311-L314 PolarHBondContact O-N 2.96Å; L314-G317 PolarHBondContact O-N 2.92Å; L314-F318 HydrophobicContact CD2-CD2 3.8Å; L314-F318 HydrophobicContact CD2-CE2 3.57Å; L314-F318 WeakPolarHBondContact O-CB 3.31Å; L314-F318 PolarHBondContact O-N 3.31Å |
| 315 | W | 93.2 | Very high | 88.5 | Confident | 109 Ų | 109 | 47.3 Ų | 47.3 | 41% | 0.413 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.4 | -47.8 | 175.1 | 169.5 | 67.3 | 0 | 0 | 0 | 111.7 | T311 F312 G319 L367 Y371 | T311-W315 WeakPolarHBondContact O-CB 3.31Å; T311-W315 PolarHBondContact O-N 3.3Å; F312-W315 HydrophobicContact CD2-CE3 4.29Å; F312-W315 HydrophobicContact CD2-CZ3 4.48Å; F312-W315 HydrophobicContact CE2-CE3 4.12Å; F312-W315 AromaticContact CE2-CZ3 3.86Å; F312-W315 HydrophobicContact CE2-CZ3 3.86Å; F312-W315 HydrophobicContact CZ-CE3 4.41Å; F312-W315 HydrophobicContact CZ-CZ3 4Å; F312-W315 PolarHBondContact O-N 3.04Å; W315-G319 VanDerWaalsContact O-CA 3.29Å; W315-G319 WeakPolarHBondContact O-CA 3.42Å; W315-G319 PolarHBondContact O-N 2.85Å; W315-L367 HydrophobicContact CH2-CD2 4.2Å; W315-L367 HydrophobicContact CZ2-CD2 3.8Å; W315-Y371 PolarHBondContact NE1-OH 3.26Å; W315-Y371 VanDerWaalsContact NE1-OH 3.15Å |
| 316 | L | 90.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 178.9 | -162.7 | 80.8 | 0 | 0 | 0 | 111.7 | F312 T313 A320 F370 Y378 I381 | F312-L316 WeakPolarHBondContact O-CB 3.37Å; F312-L316 PolarHBondContact O-N 2.74Å; T313-L316 PolarHBondContact O-N 2.97Å; L316-A320 WeakPolarHBondContact O-CB 3.13Å; L316-A320 PolarHBondContact O-N 2.92Å; L316-A320 VanDerWaalsContact O-N 3.12Å; L316-F370 HydrophobicContact CD1-CD1 4.37Å; L316-Y378 HydrophobicContact CD2-CD1 3.68Å; L316-Y378 HydrophobicContact CD2-CE1 3.54Å; L316-Y378 HydrophobicContact CG-CE1 4.19Å; L316-I381 HydrophobicContact CD2-CD1 4.11Å |
| 317 | G | 87 | Confident | 86.5 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.1 | -50.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T313 L314 A320 I321 | T313-G317 PolarHBondContact O-N 2.89Å; L314-G317 PolarHBondContact O-N 2.92Å; G317-A320 PolarHBondContact O-N 2.85Å; G317-I321 WeakPolarHBondContact O-CG1 3.39Å; G317-I321 PolarHBondContact O-N 3.35Å |
| 318 | F | 83.4 | Confident | 85.6 | Confident | 126 Ų | 126 | 45.1 Ų | 45.1 | 55% | 0.553 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -73.2 | -30.2 | 177.2 | -78.8 | -77.8 | 0 | 0 | 0 | 112.2 | L314 I321 A322 | L314-F318 HydrophobicContact CD2-CD2 3.8Å; L314-F318 HydrophobicContact CD2-CE2 3.57Å; L314-F318 WeakPolarHBondContact O-CB 3.31Å; L314-F318 PolarHBondContact O-N 3.31Å; F318-I321 HydrophobicContact CD1-CD1 4.41Å; F318-I321 PolarHBondContact O-N 2.84Å; F318-A322 WeakPolarHBondContact O-CB 3.46Å; F318-A322 PolarHBondContact O-N 3.1Å |
| 319 | G | 85.2 | Confident | 84.7 | Confident | 11 Ų | 11 | 46.9 Ų | 46.9 | 11% | 0.113 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | W315 I321 A322 V323 | W315-G319 VanDerWaalsContact O-CA 3.29Å; W315-G319 WeakPolarHBondContact O-CA 3.42Å; W315-G319 PolarHBondContact O-N 2.85Å; G319-I321 VanDerWaalsContact C-N 3.31Å; G319-I321 PolarHBondContact O-N 3.2Å; G319-A322 PolarHBondContact O-N 2.88Å; G319-V323 WeakPolarHBondContact O-CB 3.35Å; G319-V323 WeakPolarHBondContact O-CG2 3.39Å; G319-V323 PolarHBondContact O-N 3.4Å |
| 320 | A | 82.9 | Confident | 84.1 | Confident | 9 Ų | 9 | 49 Ų | 49 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.7 | -37 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L316 G317 G324 I325 Y371 | L316-A320 WeakPolarHBondContact O-CB 3.13Å; L316-A320 PolarHBondContact O-N 2.92Å; L316-A320 VanDerWaalsContact O-N 3.12Å; G317-A320 PolarHBondContact O-N 2.85Å; A320-G324 PolarHBondContact O-N 3.13Å; A320-I325 HydrophobicContact CB-CB 4.47Å; A320-I325 HydrophobicContact CB-CG1 4.21Å; A320-I325 WeakPolarHBondContact O-CG1 3.27Å; A320-I325 PolarHBondContact O-N 3.3Å; A320-Y371 HydrophobicContact CB-CD1 4.25Å; A320-Y371 HydrophobicContact CB-CG 4.44Å |
| 321 | I | 77.9 | Confident | 83.3 | Confident | 67 Ų | 67 | 48.4 Ų | 48.4 | 34% | 0.344 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.8 | -46.2 | 174.1 | -67.3 | 171.9 | 0 | 0 | 0 | 110.5 | F267 G317 F318 G319 V323 G324 | F267-I321 HydrophobicContact CD2-CG2 4.48Å; F267-I321 HydrophobicContact CE2-CB 4.48Å; F267-I321 HydrophobicContact CE2-CG2 3.74Å; F267-I321 HydrophobicContact CZ-CG2 4.31Å; G317-I321 WeakPolarHBondContact O-CG1 3.39Å; G317-I321 PolarHBondContact O-N 3.35Å; F318-I321 HydrophobicContact CD1-CD1 4.41Å; F318-I321 PolarHBondContact O-N 2.84Å; G319-I321 VanDerWaalsContact C-N 3.31Å; G319-I321 PolarHBondContact O-N 3.2Å; I321-V323 PolarHBondContact O-N 2.87Å; I321-G324 PolarHBondContact O-N 3.07Å; I321-G324 VanDerWaalsContact O-N 3.13Å |
| 322 | A | 79.2 | Confident | 82.8 | Confident | 90 Ų | 90 | 46.7 Ų | 46.7 | 74% | 0.744 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65.7 | -36.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F318 G319 G324 | F318-A322 WeakPolarHBondContact O-CB 3.46Å; F318-A322 PolarHBondContact O-N 3.1Å; G319-A322 PolarHBondContact O-N 2.88Å; A322-G324 PolarHBondContact O-N 3.41Å |
| 323 | V | 79.7 | Confident | 81.9 | Confident | 32 Ų | 32 | 43.9 Ų | 43.9 | 19% | 0.194 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -74.4 | -16.6 | 175.6 | 173.4 | 0 | 0 | 0 | 0 | 112.2 | G319 I321 I325 V368 Y371 | G319-V323 WeakPolarHBondContact O-CB 3.35Å; G319-V323 WeakPolarHBondContact O-CG2 3.39Å; G319-V323 PolarHBondContact O-N 3.4Å; I321-V323 PolarHBondContact O-N 2.87Å; V323-I325 HydrophobicContact CG1-CD1 4.22Å; V323-I325 HydrophobicContact CG1-CG1 4.42Å; V323-V368 HydrophobicContact CG1-CG1 4.48Å; V323-V368 HydrophobicContact CG1-CG2 4.18Å; V323-Y371 HydrophobicContact CB-CD2 4.41Å; V323-Y371 HydrophobicContact CG2-CD2 3.77Å; V323-Y371 HydrophobicContact CG2-CE2 3.89Å |
| 324 | G | 75 | Confident | 81.2 | Confident | 13 Ų | 13 | 47.6 Ų | 47.6 | 13% | 0.134 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 39 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A320 I321 A322 T326 T360 | A320-G324 PolarHBondContact O-N 3.13Å; I321-G324 PolarHBondContact O-N 3.07Å; I321-G324 VanDerWaalsContact O-N 3.13Å; A322-G324 PolarHBondContact O-N 3.41Å; G324-T326 PolarHBondContact O-N 3.13Å; G324-T326 VanDerWaalsContact O-N 3.13Å; G324-T360 PolarHBondContact O-OG1 3.29Å |
| 325 | I | 77.9 | Confident | 80.2 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 5% | 0.046 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 111.8 | 176 | -60.4 | -69.6 | 0 | 0 | 0 | 109.4 | F267 A320 V323 V357 V368 E372 | F267-I325 WeakPolarHBondContact CE1-O 3.22Å; A320-I325 HydrophobicContact CB-CB 4.47Å; A320-I325 HydrophobicContact CB-CG1 4.21Å; A320-I325 WeakPolarHBondContact O-CG1 3.27Å; A320-I325 PolarHBondContact O-N 3.3Å; V323-I325 HydrophobicContact CG1-CD1 4.22Å; V323-I325 HydrophobicContact CG1-CG1 4.42Å; I325-V357 HydrophobicContact CG2-CB 3.63Å; I325-V357 HydrophobicContact CG2-CG1 3.97Å; I325-V357 HydrophobicContact CG2-CG2 4.08Å; I325-V368 HydrophobicContact CD1-CG1 4.2Å; I325-E372 HydrophobicContact CD1-CG 3.9Å |
| 326 | T | 73.6 | Confident | 79.1 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 144.5 | -179.8 | 53.7 | 0 | 0 | 0 | 0 | 111.1 | F267 G324 V357 H358 | F267-T326 HydrophobicContact CE1-CG2 4.03Å; G324-T326 PolarHBondContact O-N 3.13Å; G324-T326 VanDerWaalsContact O-N 3.13Å; T326-V357 CarbonylContact O-C 3.2Å; T326-V357 WeakPolarHBondContact O-CA 3.43Å; T326-H358 PolarHBondContact N-O 3.38Å; T326-H358 PolarHBondContact O-N 3.09Å |
| 327 | P | 76.7 | Confident | 78.4 | Confident | 25 Ų | 25 | 48.1 Ų | 48.1 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 140.5 | 178 | 29.1 | -33.3 | 0 | 0 | 0 | 110.9 | M329 V357 | P327-M329 PolarHBondContact O-N 3.48Å; P327-V357 HydrophobicContact CB-CG1 4.14Å |
| 328 | N | 75.4 | Confident | 77.3 | Confident | 37 Ų | 37 | 56 Ų | 56 | 20% | 0.198 | 32% | 0.318 | C | S | . | . | trans | -66.7 | 108.4 | 167.3 | -72.6 | -22.1 | 0 | 0 | 0 | 108.3 | L330 M349 R356 | N328-L330 PolarHBondContact O-N 3.19Å; N328-M349 HydrophobicContact CB-CE 4.31Å; N328-R356 WeakPolarHBondContact CB-O 3.19Å; N328-R356 PolarHBondContact N-O 3.25Å | ||
| 329 | M | 78 | Confident | 76 | Confident | 118 Ų | 118 | 55 Ų | 55 | 58% | 0.581 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 133.5 | 172.6 | -60.3 | -66.2 | -106.6 | 0 | 0 | 107.9 | P173 P327 | P173-M329 HydrophobicContact CB-CE 4.43Å; P173-M329 HydrophobicContact CG-CE 4.23Å; P327-M329 PolarHBondContact O-N 3.48Å |
| 330 | L | 82.5 | Confident | 74 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 23% | 0.23 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 148.1 | 172.8 | -68.8 | 136.1 | 0 | 0 | 0 | 109.8 | R80 N328 M349 R354 | R80-L330 VanDerWaalsContact NH2-C 3.32Å; R80-L330 PolarHBondContact NH2-O 3.25Å; N328-L330 PolarHBondContact O-N 3.19Å; L330-M349 HydrophobicContact CD2-SD 4.44Å; L330-R354 HydrophobicContact CD2-CG 3.74Å |
| 331 | P | 77.7 | Confident | 72.2 | Confident | 40 Ų | 40 | 64.2 Ų | 64.2 | 26% | 0.26 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 139.9 | -169.9 | 19.3 | -32.7 | 0 | 0 | 0 | 113.8 | R80 I347 M349 | R80-P331 PolarHBondContact NH2-O 3.47Å; P331-I347 HydrophobicContact CB-CG2 4.35Å; P331-I347 HydrophobicContact CG-CG2 3.41Å; P331-I347 VanDerWaalsContact CG-CG2 3.41Å; P331-M349 VanDerWaalsContact CD-SD 3.5Å; P331-M349 HydrophobicContact CG-CB 4.26Å; P331-M349 HydrophobicContact CG-SD 4.48Å |
| 332 | L | 82.8 | Confident | 70.8 | Confident | 64 Ų | 64 | 68.4 Ų | 68.4 | 34% | 0.335 | 42% | 0.418 | S | S | . | . | trans | -129.2 | 163 | 173.5 | -68.6 | 162.5 | 0 | 0 | 0 | 107.6 | Y156 D163 M166 | Y156-L332 HydrophobicContact CD2-CD2 4.21Å; Y156-L332 HydrophobicContact CE2-CD2 4.19Å; D163-L332 HydrophobicContact CB-CB 4.33Å; D163-L332 HydrophobicContact CB-CD1 4.42Å; M166-L332 HydrophobicContact SD-CB 4.2Å | ||
| 333 | S | 77.4 | Confident | 69.5 | Low | 12 Ų | 12 | 65.8 Ų | 65.8 | 8% | 0.084 | 40% | 0.397 | C | S | . | . | trans | -129.7 | 163.9 | 177.5 | -177.9 | 0 | 0 | 0 | 0 | 112.8 | G160 Q161 C162 D163 D335 | G160-S333 PolarHBondContact O-N 3Å; G160-S333 VanDerWaalsContact O-N 3.16Å; Q161-S333 CarbonylContact C-O 3.28Å; Q161-S333 CarbonylContact O-C 3.2Å; C162-S333 PolarHBondContact N-O 3.35Å; D163-S333 PolarHBondContact N-O 3.38Å; S333-D335 WeakPolarHBondContact OG-CB 3.34Å; S333-D335 PolarHBondContact OG-N 2.96Å; S333-D335 PolarHBondContact OG-OD2 3.42Å | ||
| 334 | M | 77.4 | Confident | 68.2 | Low | 79 Ų | 79 | 68.5 Ų | 68.5 | 39% | 0.389 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -111.1 | -2.4 | 168.6 | -67.1 | -107.6 | -75.4 | 0 | 0 | 112.5 | Q161 M166 R167 G336 C337 | Q161-M334 CarbonylContact O-C 3.58Å; M166-M334 VanDerWaalsContact C-SD 3.57Å; M166-M334 HydrophobicContact CB-CG 3.81Å; M166-M334 HydrophobicContact CB-SD 3.54Å; M166-M334 VanDerWaalsContact CB-SD 3.54Å; M166-M334 HydrophobicContact CE-CG 4.44Å; M166-M334 HydrophobicContact SD-CG 4.35Å; R167-M334 HydrophobicContact CB-SD 4.26Å; R167-M334 HydrophobicContact CG-CE 4.07Å; R167-M334 HydrophobicContact CG-SD 3.36Å; R167-M334 WeakPolarHBondContact CG-SD 3.46Å; M334-G336 PolarHBondContact O-N 2.9Å; M334-C337 WeakPolarHBondContact O-CB 3.37Å; M334-C337 PolarHBondContact O-N 2.87Å; M334-C337 VanDerWaalsContact O-N 3.16Å; M334-C337 PolarHBondContact O-SG 3.38Å |
| 335 | D | 71.3 | Confident | 67.3 | Low | 121 Ų | 121 | 70 Ų | 70 | 65% | 0.647 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -64.6 | -26.1 | -170.9 | -57.8 | -35.5 | 0 | 0 | 0 | 112.9 | Q161 S333 C337 A343 | Q161-D335 PolarHBondContact O-N 3.24Å; S333-D335 WeakPolarHBondContact OG-CB 3.34Å; S333-D335 PolarHBondContact OG-N 2.96Å; S333-D335 PolarHBondContact OG-OD2 3.42Å; D335-C337 VanDerWaalsContact C-N 3.32Å; D335-C337 PolarHBondContact O-N 3.33Å; D335-A343 HydrophobicContact CB-CB 4.26Å |
| 336 | G | 70.1 | Confident | 66.1 | Low | 26 Ų | 26 | 77.3 Ų | 77.3 | 27% | 0.268 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -86.4 | 7.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q161 M334 | Q161-G336 PolarHBondContact O-N 2.93Å; M334-G336 PolarHBondContact O-N 2.9Å |
| 337 | C | 75.4 | Confident | 65.4 | Low | 37 Ų | 37 | 77 Ų | 77 | 25% | 0.25 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -82.7 | -11.9 | -174 | -65 | 0 | 0 | 0 | 0 | 115 | C162 M334 D335 | C162-C337 WeakPolarHBondContact CA-SG 3.4Å; C162-C337 HydrophobicContact CB-CB 4.14Å; C162-C337 WeakPolarHBondContact CB-SG 3.15Å; C162-C337 WeakPolarHBondContact SG-CA 3.41Å; C162-C337 WeakPolarHBondContact SG-CB 3.18Å; C162-C337 CovalentContact SG-SG 2.04Å; C162-C337 PolarHBondContact SG-SG 2.97Å; M334-C337 WeakPolarHBondContact O-CB 3.37Å; M334-C337 PolarHBondContact O-N 2.87Å; M334-C337 VanDerWaalsContact O-N 3.16Å; M334-C337 PolarHBondContact O-SG 3.38Å; D335-C337 VanDerWaalsContact C-N 3.32Å; D335-C337 PolarHBondContact O-N 3.33Å |
| 338 | E | 64.3 | Low | 64.6 | Low | 167 Ų | 167 | 81.3 Ų | 81.3 | 78% | 0.78 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -95.4 | 136.4 | 173.3 | -66.4 | -158.7 | 166.9 | 0 | 0 | 111.7 | N340 G341 | E338-N340 PolarHBondContact O-N 3.49Å; E338-G341 PolarHBondContact O-N 3.36Å |
| 339 | A | 55.1 | Low | 64.1 | Low | 107 Ų | 107 | 81.2 Ų | 81.2 | 88% | 0.884 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -9.6 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 340 | N | 44.3 | Very low | 63.4 | Low | 168 Ų | 168 | 78.5 Ų | 78.5 | 90% | 0.898 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.8 | 7 | -172.4 | -75.1 | -11.9 | 0 | 0 | 0 | 115.2 | E338 | E338-N340 PolarHBondContact O-N 3.49Š|
| 341 | G | 45.4 | Very low | 62.7 | Low | 44 Ų | 44 | 82.8 Ų | 82.8 | 45% | 0.454 | 50% | 0.502 | S | S | . | . | trans | -108.1 | 113.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E338 A343 | E338-G341 PolarHBondContact O-N 3.36Å; G341-A343 VanDerWaalsContact C-N 3.25Å; G341-A343 PolarHBondContact O-N 3.26Å; G341-A343 VanDerWaalsContact O-N 3.16Å | ||
| 342 | T | 47.9 | Very low | 62.2 | Low | 155 Ų | 155 | 88.2 Ų | 88.2 | 95% | 0.951 | 52% | 0.518 | S | S | * | . | trans | -82.4 | 71.1 | 159 | 40.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 343 | A | 51 | Low | 61.4 | Low | 36 Ų | 36 | 88.1 Ų | 88.1 | 30% | 0.298 | 52% | 0.516 | S | S | . | . | trans | -86.1 | 115.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q161 D335 G341 | Q161-A343 PolarHBondContact NE2-O 3.09Å; Q161-A343 PolarHBondContact OE1-O 2.93Å; D335-A343 HydrophobicContact CB-CB 4.26Å; G341-A343 VanDerWaalsContact C-N 3.25Å; G341-A343 PolarHBondContact O-N 3.26Å; G341-A343 VanDerWaalsContact O-N 3.16Å | ||
| 344 | A | 52.4 | Low | 60.8 | Low | 89 Ų | 89 | 88.8 Ų | 88.8 | 74% | 0.736 | 52% | 0.516 | S | S | * | . | trans | -73.8 | 132.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | N346 | A344-N346 PolarHBondContact O-N 3.35Å; A344-N346 VanDerWaalsContact O-N 3.14Å | ||
| 345 | L | 56.2 | Low | 60.3 | Low | 43 Ų | 43 | 87 Ų | 87 | 23% | 0.225 | 51% | 0.509 | C | S | . | . | trans | -75.9 | 103.7 | -179 | -127.1 | 140 | 0 | 0 | 0 | 109.5 | G160 Q161 I347 | G160-L345 WeakPolarHBondContact O-CD1 3.5Å; Q161-L345 VanDerWaalsContact CA-CD1 3.47Å; Q161-L345 HydrophobicContact CB-CD1 3.78Å; Q161-L345 HydrophobicContact CG-CD1 3.52Å; Q161-L345 VanDerWaalsContact NE2-N 3.2Å; L345-I347 HydrophobicContact CB-CD1 4.29Å; L345-I347 HydrophobicContact CB-CG1 4.12Å; L345-I347 HydrophobicContact CD2-CD1 3.77Å; L345-I347 HydrophobicContact CD2-CG1 3.3Å; L345-I347 HydrophobicContact CG-CG1 4.3Å; L345-I347 PolarHBondContact O-N 2.93Å; L345-I347 VanDerWaalsContact O-N 3.1Å | ||
| 346 | N | 52.9 | Low | 60.2 | Low | 163 Ų | 163 | 84.5 Ų | 84.5 | 87% | 0.872 | 49% | 0.49 | S | S | * | . | trans | -78.1 | 90.1 | 171.6 | -92.9 | -11.5 | 0 | 0 | 0 | 109.7 | A344 | A344-N346 PolarHBondContact O-N 3.35Å; A344-N346 VanDerWaalsContact O-N 3.14Å | ||
| 347 | I | 58.5 | Low | 59.9 | Low | 41 Ų | 41 | 83.8 Ų | 83.8 | 21% | 0.21 | 48% | 0.48 | C | S | . | . | trans | -90.3 | 114.5 | -177.4 | -60.9 | 168.1 | 0 | 0 | 0 | 109.8 | L79 Y156 P331 L345 | L79-I347 HydrophobicContact CD1-CG2 4.35Å; Y156-I347 WeakPolarHBondContact OH-CD1 3.49Å; P331-I347 HydrophobicContact CB-CG2 4.35Å; P331-I347 HydrophobicContact CG-CG2 3.41Å; P331-I347 VanDerWaalsContact CG-CG2 3.41Å; L345-I347 HydrophobicContact CB-CD1 4.29Å; L345-I347 HydrophobicContact CB-CG1 4.12Å; L345-I347 HydrophobicContact CD2-CD1 3.77Å; L345-I347 HydrophobicContact CD2-CG1 3.3Å; L345-I347 HydrophobicContact CG-CG1 4.3Å; L345-I347 PolarHBondContact O-N 2.93Å; L345-I347 VanDerWaalsContact O-N 3.1Å | ||
| 348 | S | 60.3 | Low | 59.7 | Low | 116 Ų | 116 | 85.4 Ų | 85.4 | 81% | 0.811 | 48% | 0.484 | S | S | * | . | trans | -120.5 | 113.2 | 162.8 | 61.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 349 | M | 64.6 | Low | 59.6 | Low | 35 Ų | 35 | 77.7 Ų | 77.7 | 17% | 0.172 | 45% | 0.449 | C | S | . | . | trans | -126.1 | 121.6 | 168.4 | -160.2 | -178.1 | -153.1 | 0 | 0 | 107.3 | N328 L330 P331 E351 Q353 R354 | N328-M349 HydrophobicContact CB-CE 4.31Å; L330-M349 HydrophobicContact CD2-SD 4.44Å; P331-M349 VanDerWaalsContact CD-SD 3.5Å; P331-M349 HydrophobicContact CG-CB 4.26Å; P331-M349 HydrophobicContact CG-SD 4.48Å; M349-E351 PolarHBondContact O-N 3.3Å; M349-Q353 HydrophobicContact CE-CB 4.3Å; M349-Q353 HydrophobicContact CG-CB 4.38Å; M349-R354 HydrophobicContact SD-CG 4.23Å | ||
| 350 | P | 64.8 | Low | 59.9 | Low | 61 Ų | 61 | 77.1 Ų | 77.1 | 40% | 0.396 | 43% | 0.434 | S | S | . | . | trans | -55.2 | 135.9 | 179 | -22.7 | 30.9 | 0 | 0 | 0 | 110.8 | W352 Q353 | P350-W352 VanDerWaalsContact CB-CD1 3.41Å; P350-W352 HydrophobicContact CB-CG 4.26Å; P350-W352 PolarHBondContact O-N 2.76Å; P350-Q353 PolarHBondContact O-N 3.15Å | ||
| 351 | E | 66.4 | Low | 60.3 | Low | 134 Ų | 134 | 72.8 Ų | 72.8 | 63% | 0.626 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -35.8 | -177.9 | -106.4 | -175.7 | 163.7 | 0 | 0 | 113.4 | R87 M349 Q353 R354 | R87-E351 PolarHBondContact NH1-O 3.38Å; M349-E351 PolarHBondContact O-N 3.3Å; E351-Q353 VanDerWaalsContact C-N 3.28Å; E351-Q353 PolarHBondContact O-N 3.46Å; E351-R354 PolarHBondContact O-N 3.21Å; E351-R354 IonicContact OE1-NH2 2.76Å |
| 352 | W | 67.2 | Low | 60.6 | Low | 155 Ų | 155 | 76.4 Ų | 76.4 | 59% | 0.587 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -24.7 | -179.4 | 68.9 | -95.9 | 0 | 0 | 0 | 113.8 | R87 P350 R356 | R87-W352 PolarHBondContact NH1-O 2.96Å; P350-W352 VanDerWaalsContact CB-CD1 3.41Å; P350-W352 HydrophobicContact CB-CG 4.26Å; P350-W352 PolarHBondContact O-N 2.76Å; W352-R356 VanDerWaalsContact O-CD 3.28Å; W352-R356 WeakPolarHBondContact O-CD 3.34Å; W352-R356 WeakPolarHBondContact O-CG 3.19Å; W352-R356 PolarHBondContact O-NE 2.95Å |
| 353 | Q | 65.7 | Low | 61 | Low | 62 Ų | 62 | 77.6 Ų | 77.6 | 29% | 0.29 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -23.2 | 177.7 | -81.5 | -173.6 | -56.6 | 0 | 0 | 114 | M349 P350 E351 N355 R356 | M349-Q353 HydrophobicContact CE-CB 4.3Å; M349-Q353 HydrophobicContact CG-CB 4.38Å; P350-Q353 PolarHBondContact O-N 3.15Å; E351-Q353 VanDerWaalsContact C-N 3.28Å; E351-Q353 PolarHBondContact O-N 3.46Å; Q353-N355 PolarHBondContact O-N 2.76Å; Q353-R356 PolarHBondContact O-N 3.36Å |
| 354 | R | 66 | Low | 61.5 | Low | 25 Ų | 25 | 83.4 Ų | 83.4 | 9% | 0.094 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 134.8 | 177.6 | -92.1 | -168.4 | -82.8 | 168.9 | -0.4 | 110.1 | H82 R87 L330 M349 E351 R356 | H82-R354 PolarHBondContact CD2-NH1 3.45Å; H82-R354 PolarHBondContact NE2-NH1 3.06Å; R87-R354 PolarHBondContact NH2-O 3.14Å; L330-R354 HydrophobicContact CD2-CG 3.74Å; M349-R354 HydrophobicContact SD-CG 4.23Å; E351-R354 PolarHBondContact O-N 3.21Å; E351-R354 IonicContact OE1-NH2 2.76Å; R354-R356 PolarHBondContact O-N 2.92Å |
| 355 | N | 65.8 | Low | 62.2 | Low | 43 Ų | 43 | 82.4 Ų | 82.4 | 23% | 0.23 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 13.1 | 179 | -59.2 | -28.3 | 0 | 0 | 0 | 116 | D85 V92 R93 H94 Q353 | D85-N355 PolarHBondContact OD2-ND2 2.91Å; V92-N355 HydrophobicContact CG1-CB 3.8Å; R93-N355 WeakPolarHBondContact CB-O 3.48Å; R93-N355 PolarHBondContact N-O 2.57Å; H94-N355 PolarHBondContact O-ND2 3.45Å; Q353-N355 PolarHBondContact O-N 2.76Å |
| 356 | R | 69.3 | Low | 63.1 | Low | 67 Ų | 67 | 85 Ų | 85 | 25% | 0.253 | 44% | 0.443 | S | S | . | . | B | Isolated β-bridge | trans | -83.8 | 158.2 | 170.8 | -83.8 | -164.9 | -169.5 | -111.5 | -11.2 | 111.8 | D89 N328 W352 Q353 R354 | D89-R356 IonicContact OD2-CZ 3.55Å; D89-R356 IonicContact OD2-NH1 3.52Å; D89-R356 IonicContact OD2-NH2 3.03Å; D89-R356 PolarHBondContact OD2-NH2 3.34Å; N328-R356 WeakPolarHBondContact CB-O 3.19Å; N328-R356 PolarHBondContact N-O 3.25Å; W352-R356 VanDerWaalsContact O-CD 3.28Å; W352-R356 WeakPolarHBondContact O-CD 3.34Å; W352-R356 WeakPolarHBondContact O-CG 3.19Å; W352-R356 PolarHBondContact O-NE 2.95Å; Q353-R356 PolarHBondContact O-N 3.36Å; R354-R356 PolarHBondContact O-N 2.92Å |
| 357 | V | 65.4 | Low | 64.3 | Low | 12 Ų | 12 | 81 Ų | 81 | 7% | 0.073 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 151.8 | 167.4 | -88.6 | 0 | 0 | 0 | 0 | 109.4 | I325 T326 P327 E372 | I325-V357 HydrophobicContact CG2-CB 3.63Å; I325-V357 HydrophobicContact CG2-CG1 3.97Å; I325-V357 HydrophobicContact CG2-CG2 4.08Å; T326-V357 CarbonylContact O-C 3.2Å; T326-V357 WeakPolarHBondContact O-CA 3.43Å; P327-V357 HydrophobicContact CB-CG1 4.14Å; V357-E372 HydrophobicContact CG2-CB 4.19Å; V357-E372 WeakPolarHBondContact CG2-O 3.27Å |
| 358 | H | 69.5 | Low | 65.3 | Low | 71 Ų | 71 | 79.4 Ų | 79.4 | 33% | 0.329 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 144.4 | -179.4 | 131.5 | 67.3 | 0 | 0 | 0 | 110.8 | T326 | T326-H358 PolarHBondContact N-O 3.38Å; T326-H358 PolarHBondContact O-N 3.09Å |
| 359 | S | 62.2 | Low | 66.3 | Low | 5 Ų | 5 | 77.5 Ų | 77.5 | 4% | 0.035 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 120.5 | 172.4 | 165.6 | 0 | 0 | 0 | 0 | 112 | S361 M362 V368 | S359-S361 PolarHBondContact O-N 2.92Å; S359-S361 PolarHBondContact OG-N 3.23Å; S359-M362 PolarHBondContact OG-N 3.49Å; S359-M362 PolarHBondContact OG-O 3.45Å; S359-V368 VanDerWaalsContact CB-CG1 3.47Å |
| 360 | T | 61.7 | Low | 67.2 | Low | 95 Ų | 95 | 81.1 Ų | 81.1 | 58% | 0.583 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -70.8 | -14.1 | 172.3 | 48.7 | 0 | 0 | 0 | 0 | 113.3 | G324 | G324-T360 PolarHBondContact O-OG1 3.29Š|
| 361 | S | 52.6 | Low | 68.3 | Low | 77 Ų | 77 | 79.3 Ų | 79.3 | 54% | 0.538 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -137.6 | 22.8 | -157.9 | -145.1 | 0 | 0 | 0 | 0 | 116.6 | S359 | S359-S361 PolarHBondContact O-N 2.92Å; S359-S361 PolarHBondContact OG-N 3.23Å |
| 362 | M | 52 | Low | 69.2 | Low | 119 Ų | 119 | 74.4 Ų | 74.4 | 59% | 0.586 | 37% | 0.372 | S | S | * | . | trans | 173.3 | 114.8 | 162.7 | -100 | 160.8 | -145.4 | 0 | 0 | 108.1 | S359 N365 V368 | S359-M362 PolarHBondContact OG-N 3.49Å; S359-M362 PolarHBondContact OG-O 3.45Å; M362-N365 HydrophobicContact SD-CB 4.47Å; M362-V368 HydrophobicContact CB-CG2 4.16Å | ||
| 363 | K | 56 | Low | 70.3 | Confident | 181 Ų | 181 | 68.4 Ų | 68.4 | 79% | 0.787 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -86.5 | -18.1 | 177.3 | -91.8 | -178.9 | 174.9 | 177.2 | 0 | 114 | ||
| 364 | D | 61.2 | Low | 71.4 | Confident | 158 Ų | 158 | 65.6 Ų | 65.6 | 85% | 0.845 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -113.9 | 2.3 | -166.2 | -60 | -33.8 | 0 | 0 | 0 | 115.7 | ||
| 365 | N | 68.7 | Low | 72.4 | Confident | 67 Ų | 67 | 65 Ų | 65 | 36% | 0.358 | 34% | 0.337 | S | S | . | . | trans | -90.7 | 120.4 | -180 | -167.5 | -17 | 0 | 0 | 0 | 110.3 | M362 L367 V368 | M362-N365 HydrophobicContact SD-CB 4.47Å; N365-L367 PolarHBondContact O-N 3.49Å; N365-L367 PolarHBondContact OD1-N 3.46Å; N365-V368 HydrophobicContact CB-CG2 4Å; N365-V368 VanDerWaalsContact O-CB 3.25Å; N365-V368 WeakPolarHBondContact O-CB 3.41Å; N365-V368 WeakPolarHBondContact O-CG2 3.38Å; N365-V368 PolarHBondContact O-N 2.93Å | ||
| 366 | P | 75.1 | Confident | 73.5 | Confident | 98 Ų | 98 | 64 Ų | 64 | 64% | 0.636 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.1 | -23.2 | -176 | 21 | -32.5 | 0 | 0 | 0 | 113.6 | V368 N369 | P366-V368 PolarHBondContact O-N 2.83Å; P366-N369 WeakPolarHBondContact O-CB 3.42Å; P366-N369 PolarHBondContact O-N 3.27Å |
| 367 | L | 78.2 | Confident | 74.6 | Confident | 78 Ų | 78 | 62 Ų | 62 | 41% | 0.408 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.3 | -27.7 | 172.2 | -81.6 | 157.2 | 0 | 0 | 0 | 113.2 | W315 N365 N369 F370 Y371 | W315-L367 HydrophobicContact CH2-CD2 4.2Å; W315-L367 HydrophobicContact CZ2-CD2 3.8Å; N365-L367 PolarHBondContact O-N 3.49Å; N365-L367 PolarHBondContact OD1-N 3.46Å; L367-N369 VanDerWaalsContact C-N 3.27Å; L367-N369 PolarHBondContact O-N 3.03Å; L367-F370 WeakPolarHBondContact O-CB 3.2Å; L367-F370 PolarHBondContact O-N 2.84Å; L367-F370 VanDerWaalsContact O-N 3.1Å; L367-Y371 HydrophobicContact CB-CE2 4.27Å; L367-Y371 VanDerWaalsContact O-CD2 3.23Å; L367-Y371 WeakPolarHBondContact O-CD2 3.35Å; L367-Y371 PolarHBondContact O-N 2.82Å |
| 368 | V | 78.6 | Confident | 75.9 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 6% | 0.055 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.7 | -36.7 | 179.2 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | V323 I325 S359 M362 N365 P366 F370 Y371 E372 | V323-V368 HydrophobicContact CG1-CG1 4.48Å; V323-V368 HydrophobicContact CG1-CG2 4.18Å; I325-V368 HydrophobicContact CD1-CG1 4.2Å; S359-V368 VanDerWaalsContact CB-CG1 3.47Å; M362-V368 HydrophobicContact CB-CG2 4.16Å; N365-V368 HydrophobicContact CB-CG2 4Å; N365-V368 VanDerWaalsContact O-CB 3.25Å; N365-V368 WeakPolarHBondContact O-CB 3.41Å; N365-V368 WeakPolarHBondContact O-CG2 3.38Å; N365-V368 PolarHBondContact O-N 2.93Å; P366-V368 PolarHBondContact O-N 2.83Å; V368-F370 PolarHBondContact O-N 3.49Å; V368-Y371 PolarHBondContact O-N 3.43Å; V368-E372 PolarHBondContact O-N 3.26Å |
| 369 | N | 81 | Confident | 77 | Confident | 76 Ų | 76 | 58.5 Ų | 58.5 | 41% | 0.406 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60 | -31.4 | 176.2 | -75 | -42.8 | 0 | 0 | 0 | 112.8 | R91 P366 L367 | R91-N369 PolarHBondContact NH1-OD1 3.32Å; P366-N369 WeakPolarHBondContact O-CB 3.42Å; P366-N369 PolarHBondContact O-N 3.27Å; L367-N369 VanDerWaalsContact C-N 3.27Å; L367-N369 PolarHBondContact O-N 3.03Å |
| 370 | F | 84.3 | Confident | 78.6 | Confident | 111 Ų | 111 | 59.7 Ų | 59.7 | 49% | 0.487 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.4 | -34.6 | 175.3 | -100.8 | -86.3 | 0 | 0 | 0 | 112 | L316 L367 V368 E372 L373 | L316-F370 HydrophobicContact CD1-CD1 4.37Å; L367-F370 WeakPolarHBondContact O-CB 3.2Å; L367-F370 PolarHBondContact O-N 2.84Å; L367-F370 VanDerWaalsContact O-N 3.1Å; V368-F370 PolarHBondContact O-N 3.49Å; F370-E372 VanDerWaalsContact C-N 3.31Å; F370-L373 HydrophobicContact CD1-CD1 4.3Å; F370-L373 WeakPolarHBondContact O-CB 3.49Å; F370-L373 PolarHBondContact O-N 2.8Å |
| 371 | Y | 86.7 | Confident | 80.1 | Confident | 23 Ų | 23 | 56.8 Ų | 56.8 | 9% | 0.09 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -77.7 | -16.1 | 177.8 | -61.4 | -50.7 | 0 | 0 | 0 | 113.6 | W315 A320 V323 L367 V368 L373 | W315-Y371 PolarHBondContact NE1-OH 3.26Å; W315-Y371 VanDerWaalsContact NE1-OH 3.15Å; A320-Y371 HydrophobicContact CB-CD1 4.25Å; A320-Y371 HydrophobicContact CB-CG 4.44Å; V323-Y371 HydrophobicContact CB-CD2 4.41Å; V323-Y371 HydrophobicContact CG2-CD2 3.77Å; V323-Y371 HydrophobicContact CG2-CE2 3.89Å; L367-Y371 HydrophobicContact CB-CE2 4.27Å; L367-Y371 VanDerWaalsContact O-CD2 3.23Å; L367-Y371 WeakPolarHBondContact O-CD2 3.35Å; L367-Y371 PolarHBondContact O-N 2.82Å; V368-Y371 PolarHBondContact O-N 3.43Å; Y371-L373 PolarHBondContact O-N 3.37Å |
| 372 | E | 86.5 | Confident | 82.1 | Confident | 31 Ų | 31 | 53.1 Ų | 53.1 | 15% | 0.145 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -5.6 | 173.1 | -73.9 | 179.9 | 174.7 | 0 | 0 | 113.9 | R91 I325 V357 V368 F370 S374 | R91-E372 VanDerWaalsContact CA-O 3.31Å; R91-E372 WeakPolarHBondContact CA-O 3.48Å; R91-E372 HydrophobicContact CB-CB 4.23Å; R91-E372 HydrophobicContact CG-CB 3.9Å; I325-E372 HydrophobicContact CD1-CG 3.9Å; V357-E372 HydrophobicContact CG2-CB 4.19Å; V357-E372 WeakPolarHBondContact CG2-O 3.27Å; V368-E372 PolarHBondContact O-N 3.26Å; F370-E372 VanDerWaalsContact C-N 3.31Å; E372-S374 PolarHBondContact O-N 3.17Å |
| 373 | L | 89.3 | Confident | 84.3 | Confident | 29 Ų | 29 | 47.6 Ų | 47.6 | 15% | 0.152 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -54.9 | 138.5 | 176 | -105.7 | 142.5 | 0 | 0 | 0 | 111.5 | P90 F370 Y371 Y375 Y377 Y378 I381 | P90-L373 HydrophobicContact CB-CD2 3.85Å; P90-L373 HydrophobicContact CG-CD2 4.41Å; F370-L373 HydrophobicContact CD1-CD1 4.3Å; F370-L373 WeakPolarHBondContact O-CB 3.49Å; F370-L373 PolarHBondContact O-N 2.8Å; Y371-L373 PolarHBondContact O-N 3.37Å; L373-Y375 PolarHBondContact O-N 2.95Å; L373-Y377 HydrophobicContact CD2-CD2 4.12Å; L373-Y377 HydrophobicContact CD2-CG 4.44Å; L373-Y378 HydrophobicContact CB-CE1 4.45Å; L373-I381 HydrophobicContact CD1-CD1 4.41Å; L373-I381 HydrophobicContact CD2-CD1 4.1Å |
| 374 | S | 88.9 | Confident | 86.2 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | trans | -59.4 | 130.2 | 173.4 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | P90 V92 R93 E372 Q376 Y377 | P90-S374 WeakPolarHBondContact O-CB 3.25Å; P90-S374 PolarHBondContact O-N 3.09Å; V92-S374 WeakPolarHBondContact O-CB 3.39Å; R93-S374 PolarHBondContact O-OG 2.65Å; E372-S374 PolarHBondContact O-N 3.17Å; S374-Q376 PolarHBondContact O-N 3.42Å; S374-Q376 PolarHBondContact OG-N 2.68Å; S374-Y377 PolarHBondContact O-N 3.34Å | ||
| 375 | Y | 86.9 | Confident | 87.9 | Confident | 13 Ų | 13 | 36.9 Ų | 36.9 | 5% | 0.051 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -58.6 | -18.8 | 176.7 | 67.8 | -92 | 0 | 0 | 0 | 113.2 | R93 H94 Q271 L274 S275 L373 Y377 Y378 | R93-Y375 HydrophobicContact CG-CE1 3.97Å; H94-Y375 PolarHBondContact CE1-OH 3.49Å; H94-Y375 AromaticContact NE2-CZ 3.71Å; H94-Y375 PolarHBondContact NE2-OH 3.32Å; Q271-Y375 HydrophobicContact CG-CD1 4.02Å; Q271-Y375 HydrophobicContact CG-CE1 4.12Å; Q271-Y375 HydrophobicContact CG-CG 4.49Å; L274-Y375 HydrophobicContact CB-CD2 3.87Å; L274-Y375 HydrophobicContact CB-CE2 3.6Å; L274-Y375 HydrophobicContact CD1-CE2 3.75Å; L274-Y375 HydrophobicContact CG-CE2 4.33Å; S275-Y375 WeakPolarHBondContact OG-CB 3.39Å; L373-Y375 PolarHBondContact O-N 2.95Å; Y375-Y377 PolarHBondContact O-N 2.89Å; Y375-Y378 WeakPolarHBondContact O-CB 3.43Å; Y375-Y378 PolarHBondContact O-N 2.85Å |
| 376 | Q | 89.4 | Confident | 89.3 | Confident | 21 Ų | 21 | 33.7 Ų | 33.7 | 10% | 0.098 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -63.3 | -26.3 | 173.2 | -69.1 | -65.6 | -26.5 | 0 | 0 | 112.5 | S98 G102 G103 T106 S374 | S98-Q376 WeakPolarHBondContact O-CB 3.46Å; G102-Q376 CarbonylContact C-O 3.47Å; G102-Q376 WeakPolarHBondContact CA-O 3.27Å; G103-Q376 VanDerWaalsContact CA-OE1 3.31Å; T106-Q376 PolarHBondContact OG1-O 3.44Å; S374-Q376 PolarHBondContact O-N 3.42Å; S374-Q376 PolarHBondContact OG-N 2.68Å |
| 377 | Y | 92.3 | Very high | 90.3 | Very high | 24 Ų | 24 | 30.6 Ų | 30.6 | 9% | 0.094 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -83.5 | -8.9 | 178 | -71.1 | -64.7 | 0 | 0 | 0 | 113.9 | P90 W97 S98 I101 L373 S374 Y375 S379 L380 I381 | P90-Y377 HydrophobicContact CB-CD2 4.03Å; P90-Y377 HydrophobicContact CB-CE2 3.69Å; W97-Y377 VanDerWaalsContact C-OH 3.31Å; W97-Y377 PolarHBondContact O-OH 3.35Å; S98-Y377 VanDerWaalsContact CA-CZ 3.48Å; S98-Y377 VanDerWaalsContact CA-OH 3.27Å; S98-Y377 WeakPolarHBondContact CA-OH 3.47Å; S98-Y377 VanDerWaalsContact CB-CE2 3.41Å; S98-Y377 PolarHBondContact N-OH 3.22Å; I101-Y377 HydrophobicContact CB-CE1 4.45Å; L373-Y377 HydrophobicContact CD2-CD2 4.12Å; L373-Y377 HydrophobicContact CD2-CG 4.44Å; S374-Y377 PolarHBondContact O-N 3.34Å; Y375-Y377 PolarHBondContact O-N 2.89Å; Y377-S379 VanDerWaalsContact C-N 3.33Å; Y377-S379 PolarHBondContact O-N 3.2Å; Y377-L380 HydrophobicContact CD1-CD2 3.93Å; Y377-L380 HydrophobicContact CE1-CD2 4.36Å; Y377-L380 PolarHBondContact O-N 3.47Å; Y377-L380 VanDerWaalsContact O-N 3.1Å; Y377-I381 WeakPolarHBondContact O-CG1 3.33Å; Y377-I381 PolarHBondContact O-N 3.04Å |
| 378 | Y | 92.5 | Very high | 91.1 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 4% | 0.043 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | -175.1 | -69.7 | 2.1 | 0 | 0 | 0 | 112.2 | I279 L316 L373 Y375 G382 | I279-Y378 HydrophobicContact CD1-CD2 4.4Å; I279-Y378 HydrophobicContact CG1-CD2 3.87Å; I279-Y378 HydrophobicContact CG1-CE2 4.43Å; L316-Y378 HydrophobicContact CD2-CD1 3.68Å; L316-Y378 HydrophobicContact CD2-CE1 3.54Å; L316-Y378 HydrophobicContact CG-CE1 4.19Å; L373-Y378 HydrophobicContact CB-CE1 4.45Å; Y375-Y378 WeakPolarHBondContact O-CB 3.43Å; Y375-Y378 PolarHBondContact O-N 2.85Å; Y378-G382 PolarHBondContact O-N 3.33Å |
| 379 | S | 92.8 | Very high | 92 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.7 | -46.9 | 172.9 | -86.7 | 0 | 0 | 0 | 0 | 112.1 | T109 G278 G282 Y377 G382 V383 | T109-S379 PolarHBondContact OG1-OG 3.02Å; T109-S379 VanDerWaalsContact OG1-OG 3.13Å; G278-S379 WeakPolarHBondContact CA-OG 3.41Å; G282-S379 WeakPolarHBondContact CA-O 3.48Å; Y377-S379 VanDerWaalsContact C-N 3.33Å; Y377-S379 PolarHBondContact O-N 3.2Å; S379-G382 PolarHBondContact O-N 3.09Å; S379-V383 VanDerWaalsContact O-CG2 3.29Å; S379-V383 WeakPolarHBondContact O-CG2 3.49Å; S379-V383 PolarHBondContact O-N 3.18Å |
| 380 | L | 95.1 | Very high | 92.7 | Very high | 30 Ų | 30 | 28.9 Ų | 28.9 | 16% | 0.157 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.1 | -47.7 | -179.9 | 173.2 | 64.9 | 0 | 0 | 0 | 111.2 | I101 F105 Y377 G382 V383 L384 | I101-L380 HydrophobicContact CG2-CD2 3.96Å; F105-L380 HydrophobicContact CB-CB 4.21Å; F105-L380 HydrophobicContact CD1-CD1 4.18Å; F105-L380 HydrophobicContact CD2-CB 4.28Å; F105-L380 HydrophobicContact CD2-CD1 3.7Å; F105-L380 HydrophobicContact CD2-CG 4.48Å; F105-L380 HydrophobicContact CE1-CD1 4.06Å; F105-L380 HydrophobicContact CE2-CD1 3.58Å; F105-L380 HydrophobicContact CG-CB 4.17Å; F105-L380 HydrophobicContact CG-CD1 3.99Å; F105-L380 HydrophobicContact CZ-CD1 3.76Å; Y377-L380 HydrophobicContact CD1-CD2 3.93Å; Y377-L380 HydrophobicContact CE1-CD2 4.36Å; Y377-L380 PolarHBondContact O-N 3.47Å; Y377-L380 VanDerWaalsContact O-N 3.1Å; L380-G382 VanDerWaalsContact C-N 3.32Å; L380-G382 PolarHBondContact O-N 3.32Å; L380-V383 PolarHBondContact O-N 3.26Å; L380-L384 HydrophobicContact CD1-CD1 3.92Å; L380-L384 HydrophobicContact CD1-CG 4.02Å; L380-L384 HydrophobicContact CG-CD1 3.92Å; L380-L384 HydrophobicContact CG-CG 4.4Å; L380-L384 WeakPolarHBondContact O-CB 3.35Å; L380-L384 WeakPolarHBondContact O-CG 3.47Å; L380-L384 PolarHBondContact O-N 3.07Å |
| 381 | I | 94.9 | Very high | 93.1 | Very high | 34 Ų | 34 | 24.8 Ų | 24.8 | 17% | 0.174 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 178.2 | -67.9 | 168.3 | 0 | 0 | 0 | 109.7 | F312 L316 L373 Y377 V383 L384 V385 | F312-I381 HydrophobicContact CD1-CG2 4.09Å; F312-I381 HydrophobicContact CE1-CG2 3.85Å; L316-I381 HydrophobicContact CD2-CD1 4.11Å; L373-I381 HydrophobicContact CD1-CD1 4.41Å; L373-I381 HydrophobicContact CD2-CD1 4.1Å; Y377-I381 WeakPolarHBondContact O-CG1 3.33Å; Y377-I381 PolarHBondContact O-N 3.04Å; I381-V383 PolarHBondContact O-N 3.33Å; I381-L384 PolarHBondContact O-N 3.34Å; I381-V385 HydrophobicContact CG2-CG2 4.13Å; I381-V385 WeakPolarHBondContact O-CB 3.39Å; I381-V385 VanDerWaalsContact O-CG2 3.28Å; I381-V385 WeakPolarHBondContact O-CG2 3.28Å; I381-V385 PolarHBondContact O-N 3.05Å |
| 382 | G | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58 | -45.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y378 S379 L380 T386 | Y378-G382 PolarHBondContact O-N 3.33Å; S379-G382 PolarHBondContact O-N 3.09Å; L380-G382 VanDerWaalsContact C-N 3.32Å; L380-G382 PolarHBondContact O-N 3.32Å; G382-T386 VanDerWaalsContact O-CB 3.29Å; G382-T386 WeakPolarHBondContact O-CB 3.39Å; G382-T386 PolarHBondContact O-N 3.21Å; G382-T386 PolarHBondContact O-OG1 3.47Å; G382-T386 VanDerWaalsContact O-OG1 3.13Å |
| 383 | V | 96.5 | Very high | 93.9 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.018 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.9 | -48.6 | 176.3 | 167.7 | 0 | 0 | 0 | 0 | 111.3 | F105 G282 L285 I289 S379 L380 I381 T386 L387 | F105-V383 HydrophobicContact CD1-CB 4.37Å; F105-V383 HydrophobicContact CD1-CG1 4.37Å; F105-V383 HydrophobicContact CD1-CG2 4.11Å; F105-V383 HydrophobicContact CE1-CG1 4.07Å; G282-V383 WeakPolarHBondContact O-CG2 3.39Å; G282-V383 PolarHBondContact O-N 3.46Å; L285-V383 HydrophobicContact CB-CG2 3.84Å; L285-V383 HydrophobicContact CD2-CG2 3.74Å; L285-V383 HydrophobicContact CG-CG2 3.79Å; I289-V383 HydrophobicContact CD1-CG1 4.03Å; S379-V383 VanDerWaalsContact O-CG2 3.29Å; S379-V383 WeakPolarHBondContact O-CG2 3.49Å; S379-V383 PolarHBondContact O-N 3.18Å; L380-V383 PolarHBondContact O-N 3.26Å; I381-V383 PolarHBondContact O-N 3.33Å; V383-T386 PolarHBondContact O-N 3.3Å; V383-L387 HydrophobicContact CG1-CD1 3.64Å; V383-L387 WeakPolarHBondContact O-CB 3.35Å; V383-L387 PolarHBondContact O-N 3.01Å |
| 384 | L | 96.8 | Very high | 94.2 | Very high | 83 Ų | 83 | 26.7 Ų | 26.7 | 44% | 0.435 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -65.1 | -48.4 | -177.8 | -72.3 | 174.1 | 0 | 0 | 0 | 111.8 | L380 I381 T386 L387 I388 | L380-L384 HydrophobicContact CD1-CD1 3.92Å; L380-L384 HydrophobicContact CD1-CG 4.02Å; L380-L384 HydrophobicContact CG-CD1 3.92Å; L380-L384 HydrophobicContact CG-CG 4.4Å; L380-L384 WeakPolarHBondContact O-CB 3.35Å; L380-L384 WeakPolarHBondContact O-CG 3.47Å; L380-L384 PolarHBondContact O-N 3.07Å; I381-L384 PolarHBondContact O-N 3.34Å; L384-T386 VanDerWaalsContact C-N 3.32Å; L384-T386 PolarHBondContact O-N 3.48Å; L384-L387 PolarHBondContact O-N 2.89Å; L384-I388 WeakPolarHBondContact O-CB 3.12Å; L384-I388 WeakPolarHBondContact O-CD1 3.46Å; L384-I388 WeakPolarHBondContact O-CG1 3.3Å; L384-I388 PolarHBondContact O-N 3.15Å |
| 385 | V | 96.7 | Very high | 94.3 | Very high | 30 Ų | 30 | 29.7 Ų | 29.7 | 18% | 0.182 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.9 | -46.2 | 178.7 | 174.5 | 0 | 0 | 0 | 0 | 109.7 | I308 F312 I381 T389 | I308-V385 HydrophobicContact CG2-CG1 4.22Å; F312-V385 HydrophobicContact CB-CG1 4.37Å; F312-V385 HydrophobicContact CD1-CG2 4.09Å; F312-V385 HydrophobicContact CE1-CG2 4.42Å; I381-V385 HydrophobicContact CG2-CG2 4.13Å; I381-V385 WeakPolarHBondContact O-CB 3.39Å; I381-V385 VanDerWaalsContact O-CG2 3.28Å; I381-V385 WeakPolarHBondContact O-CG2 3.28Å; I381-V385 PolarHBondContact O-N 3.05Å; V385-T389 HydrophobicContact CG1-CG2 4.25Å; V385-T389 WeakPolarHBondContact O-CB 3.26Å; V385-T389 WeakPolarHBondContact O-CG2 3.44Å; V385-T389 PolarHBondContact O-N 2.93Å; V385-T389 PolarHBondContact O-OG1 3.31Å |
| 386 | T | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.5 | -42.8 | 178.5 | -68.9 | 0 | 0 | 0 | 0 | 113.2 | P283 M290 G305 G382 V383 L384 G390 | P283-T386 WeakPolarHBondContact CA-OG1 3.17Å; P283-T386 WeakPolarHBondContact CB-OG1 3.31Å; M290-T386 HydrophobicContact CE-CG2 4.03Å; G305-T386 WeakPolarHBondContact O-CA 3.16Å; G305-T386 WeakPolarHBondContact O-CB 3.48Å; G305-T386 WeakPolarHBondContact O-CG2 3.33Å; G305-T386 PolarHBondContact O-OG1 2.92Å; G382-T386 VanDerWaalsContact O-CB 3.29Å; G382-T386 WeakPolarHBondContact O-CB 3.39Å; G382-T386 PolarHBondContact O-N 3.21Å; G382-T386 PolarHBondContact O-OG1 3.47Å; G382-T386 VanDerWaalsContact O-OG1 3.13Å; V383-T386 PolarHBondContact O-N 3.3Å; L384-T386 VanDerWaalsContact C-N 3.32Å; L384-T386 PolarHBondContact O-N 3.48Å; T386-G390 WeakPolarHBondContact O-CA 3.46Å; T386-G390 PolarHBondContact O-N 3.47Å |
| 387 | L | 96.8 | Very high | 94.7 | Very high | 34 Ų | 34 | 37.8 Ų | 37.8 | 18% | 0.178 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.1 | -48.2 | 177.2 | -87.9 | 163.6 | 0 | 0 | 0 | 112 | I289 M290 L294 V383 L384 A391 | I289-L387 HydrophobicContact CG2-CD1 4.09Å; I289-L387 HydrophobicContact CG2-CD2 4.22Å; M290-L387 HydrophobicContact CB-CD2 3.79Å; M290-L387 HydrophobicContact CG-CD2 4.37Å; L294-L387 HydrophobicContact CD1-CD2 3.55Å; V383-L387 HydrophobicContact CG1-CD1 3.64Å; V383-L387 WeakPolarHBondContact O-CB 3.35Å; V383-L387 PolarHBondContact O-N 3.01Å; L384-L387 PolarHBondContact O-N 2.89Å; L387-A391 VanDerWaalsContact O-CB 3.22Å; L387-A391 WeakPolarHBondContact O-CB 3.1Å; L387-A391 PolarHBondContact O-N 3.28Å |
| 388 | I | 96.1 | Very high | 94.4 | Very high | 99 Ų | 99 | 38.8 Ų | 38.8 | 51% | 0.508 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.8 | -52.6 | -176.6 | -67.7 | 167 | 0 | 0 | 0 | 110 | L384 G390 A391 I392 | L384-I388 WeakPolarHBondContact O-CB 3.12Å; L384-I388 WeakPolarHBondContact O-CD1 3.46Å; L384-I388 WeakPolarHBondContact O-CG1 3.3Å; L384-I388 PolarHBondContact O-N 3.15Å; I388-G390 VanDerWaalsContact C-N 3.35Å; I388-G390 PolarHBondContact O-N 3.05Å; I388-A391 PolarHBondContact O-N 3.36Å; I388-I392 HydrophobicContact CG2-CD1 3.71Å; I388-I392 VanDerWaalsContact O-CG1 3.27Å; I388-I392 WeakPolarHBondContact O-CG1 3.17Å; I388-I392 PolarHBondContact O-N 3.15Å |
| 389 | T | 96.1 | Very high | 94 | Very high | 27 Ų | 27 | 41.6 Ų | 41.6 | 17% | 0.166 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.6 | -38.4 | -178.1 | 55.7 | 0 | 0 | 0 | 0 | 111.6 | G305 I308 V385 I392 V393 | G305-T389 WeakPolarHBondContact CA-OG1 3.34Å; I308-T389 HydrophobicContact CD1-CG2 4.42Å; I308-T389 HydrophobicContact CG2-CG2 3.95Å; V385-T389 HydrophobicContact CG1-CG2 4.25Å; V385-T389 WeakPolarHBondContact O-CB 3.26Å; V385-T389 WeakPolarHBondContact O-CG2 3.44Å; V385-T389 PolarHBondContact O-N 2.93Å; V385-T389 PolarHBondContact O-OG1 3.31Å; T389-I392 PolarHBondContact O-N 3Å; T389-V393 WeakPolarHBondContact O-CB 3.36Å; T389-V393 VanDerWaalsContact O-CG2 3.28Å; T389-V393 WeakPolarHBondContact O-CG2 3.43Å; T389-V393 PolarHBondContact O-N 2.98Å |
| 390 | G | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G301 T386 I388 S394 | G301-G390 VanDerWaalsContact O-CA 3.23Å; G301-G390 WeakPolarHBondContact O-CA 3.31Å; T386-G390 WeakPolarHBondContact O-CA 3.46Å; T386-G390 PolarHBondContact O-N 3.47Å; I388-G390 VanDerWaalsContact C-N 3.35Å; I388-G390 PolarHBondContact O-N 3.05Å; G390-S394 WeakPolarHBondContact O-CB 3.29Å; G390-S394 PolarHBondContact O-N 2.97Å; G390-S394 PolarHBondContact O-OG 3.03Å |
| 391 | A | 93.8 | Very high | 92.4 | Very high | 26 Ų | 26 | 48.6 Ų | 48.6 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.3 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F296 L387 I388 S394 A395 | F296-A391 HydrophobicContact CE2-CB 4.22Å; F296-A391 HydrophobicContact CZ-CB 4.48Å; L387-A391 VanDerWaalsContact O-CB 3.22Å; L387-A391 WeakPolarHBondContact O-CB 3.1Å; L387-A391 PolarHBondContact O-N 3.28Å; I388-A391 PolarHBondContact O-N 3.36Å; A391-S394 PolarHBondContact O-N 3.11Å; A391-A395 PolarHBondContact O-N 2.91Å |
| 392 | I | 94.9 | Very high | 91 | Very high | 89 Ų | 89 | 47.6 Ų | 47.6 | 46% | 0.456 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.7 | -49 | 177.1 | -69.1 | 167.8 | 0 | 0 | 0 | 110.4 | I388 T389 S394 A395 L396 | I388-I392 HydrophobicContact CG2-CD1 3.71Å; I388-I392 VanDerWaalsContact O-CG1 3.27Å; I388-I392 WeakPolarHBondContact O-CG1 3.17Å; I388-I392 PolarHBondContact O-N 3.15Å; T389-I392 PolarHBondContact O-N 3Å; I392-S394 VanDerWaalsContact C-N 3.31Å; I392-S394 PolarHBondContact O-N 3.34Å; I392-A395 WeakPolarHBondContact O-CB 3.33Å; I392-A395 PolarHBondContact O-N 3.08Å; I392-A395 VanDerWaalsContact O-N 3.14Å; I392-L396 HydrophobicContact CG2-CD1 3.85Å; I392-L396 HydrophobicContact CG2-CG 4.36Å; I392-L396 WeakPolarHBondContact O-CG 3.22Å; I392-L396 PolarHBondContact O-N 3.45Å |
| 393 | V | 94.7 | Very high | 89.5 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 20% | 0.2 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.3 | -36.7 | -179.5 | 174.1 | 0 | 0 | 0 | 0 | 111 | A304 T389 L396 T397 | A304-V393 HydrophobicContact CB-CB 4.08Å; A304-V393 HydrophobicContact CB-CG1 3.83Å; A304-V393 HydrophobicContact CB-CG2 3.85Å; T389-V393 WeakPolarHBondContact O-CB 3.36Å; T389-V393 VanDerWaalsContact O-CG2 3.28Å; T389-V393 WeakPolarHBondContact O-CG2 3.43Å; T389-V393 PolarHBondContact O-N 2.98Å; V393-L396 PolarHBondContact O-N 3.16Å; V393-T397 HydrophobicContact CG1-CG2 4.04Å; V393-T397 WeakPolarHBondContact O-CB 3.25Å; V393-T397 WeakPolarHBondContact O-CG2 3.39Å; V393-T397 PolarHBondContact O-N 2.91Å; V393-T397 PolarHBondContact O-OG1 3.03Å |
| 394 | S | 94.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 172.2 | -75.6 | 0 | 0 | 0 | 0 | 113 | T297 N298 G301 G390 A391 I392 L396 T397 G398 C399 | T297-S394 WeakPolarHBondContact CA-OG 3.43Å; T297-S394 VanDerWaalsContact CG2-OG 3.3Å; T297-S394 WeakPolarHBondContact CG2-OG 3.5Å; N298-S394 PolarHBondContact N-OG 3.48Å; N298-S394 PolarHBondContact OD1-OG 3.27Å; G301-S394 WeakPolarHBondContact CA-OG 3.45Å; G390-S394 WeakPolarHBondContact O-CB 3.29Å; G390-S394 PolarHBondContact O-N 2.97Å; G390-S394 PolarHBondContact O-OG 3.03Å; A391-S394 PolarHBondContact O-N 3.11Å; I392-S394 VanDerWaalsContact C-N 3.31Å; I392-S394 PolarHBondContact O-N 3.34Å; S394-L396 VanDerWaalsContact C-N 3.34Å; S394-T397 PolarHBondContact O-N 3.46Å; S394-G398 CarbonylContact O-C 3.58Å; S394-G398 PolarHBondContact O-N 2.86Å; S394-C399 PolarHBondContact O-N 3.36Å |
| 395 | A | 92.5 | Very high | 87.2 | Confident | 67 Ų | 67 | 58.1 Ų | 58.1 | 55% | 0.554 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.6 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | A391 I392 | A391-A395 PolarHBondContact O-N 2.91Å; I392-A395 WeakPolarHBondContact O-CB 3.33Å; I392-A395 PolarHBondContact O-N 3.08Å; I392-A395 VanDerWaalsContact O-N 3.14Å |
| 396 | L | 93.6 | Very high | 86.4 | Confident | 144 Ų | 144 | 63.9 Ų | 63.9 | 75% | 0.754 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -72.9 | -31.9 | 179.3 | -68 | 173.6 | 0 | 0 | 0 | 113.6 | I392 V393 S394 | I392-L396 HydrophobicContact CG2-CD1 3.85Å; I392-L396 HydrophobicContact CG2-CG 4.36Å; I392-L396 WeakPolarHBondContact O-CG 3.22Å; I392-L396 PolarHBondContact O-N 3.45Å; V393-L396 PolarHBondContact O-N 3.16Å; S394-L396 VanDerWaalsContact C-N 3.34Å |
| 397 | T | 91.5 | Very high | 85.4 | Confident | 60 Ų | 60 | 67 Ų | 67 | 37% | 0.368 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -98 | 2.2 | -176.2 | 57.8 | 0 | 0 | 0 | 0 | 114 | N298 K300 V393 S394 | N298-T397 PolarHBondContact ND2-OG1 3.44Å; N298-T397 PolarHBondContact OD1-OG1 3.48Å; K300-T397 HydrophobicContact CB-CG2 4.4Å; K300-T397 HydrophobicContact CD-CG2 4.13Å; V393-T397 HydrophobicContact CG1-CG2 4.04Å; V393-T397 WeakPolarHBondContact O-CB 3.25Å; V393-T397 WeakPolarHBondContact O-CG2 3.39Å; V393-T397 PolarHBondContact O-N 2.91Å; V393-T397 PolarHBondContact O-OG1 3.03Å; S394-T397 PolarHBondContact O-N 3.46Å |
| 398 | G | 84 | Confident | 84.7 | Confident | 45 Ų | 45 | 70 Ų | 70 | 46% | 0.464 | 40% | 0.398 | S | S | . | . | trans | 94.2 | 109.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N298 S394 | N298-G398 PolarHBondContact ND2-O 3.48Å; S394-G398 CarbonylContact O-C 3.58Å; S394-G398 PolarHBondContact O-N 2.86Å | ||
| 399 | C | 85.3 | Confident | 84.2 | Confident | 70 Ų | 70 | 70.6 Ų | 70.6 | 47% | 0.473 | 40% | 0.401 | S | S | . | . | trans | -58.3 | 140.2 | 179.6 | -69.8 | 0 | 0 | 0 | 0 | 112.1 | F296 S394 | F296-C399 HydrophobicContact CB-CB 4.14Å; F296-C399 CarbonylContact O-C 3.12Å; F296-C399 WeakPolarHBondContact O-CA 3.47Å; S394-C399 PolarHBondContact O-N 3.36Å | ||
| 400 | Q | 81.7 | Confident | 83.8 | Confident | 81 Ų | 81 | 69.7 Ų | 69.7 | 38% | 0.379 | 40% | 0.396 | S | S | . | . | trans | -72.5 | 137 | 174.2 | -175.5 | 150.6 | -9.8 | 0 | 0 | 110 | F296 N298 G402 | F296-Q400 WeakPolarHBondContact CA-O 3.33Å; F296-Q400 PolarHBondContact O-N 2.99Å; N298-Q400 HydrophobicContact CB-CB 4.09Å; Q400-G402 PolarHBondContact O-N 3.47Å; Q400-G402 VanDerWaalsContact O-N 3.1Å | ||
| 401 | N | 72.6 | Confident | 83.3 | Confident | 96 Ų | 96 | 70.5 Ų | 70.5 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | trans | -74 | 108.8 | 176.8 | -167.2 | -9.9 | 0 | 0 | 0 | 109.1 | N403 F404 | N401-N403 PolarHBondContact O-N 3.27Å; N401-F404 HydrophobicContact CB-CD2 3.97Å; N401-F404 HydrophobicContact CB-CE2 4.14Å; N401-F404 PolarHBondContact O-N 3.3Å; N401-F404 VanDerWaalsContact O-N 3.14Å | ||
| 402 | G | 65.5 | Low | 82.7 | Confident | 12 Ų | 12 | 74.3 Ų | 74.3 | 12% | 0.124 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -56.1 | -23.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P295 Q400 F404 V405 K418 | P295-G402 WeakPolarHBondContact O-CA 3.42Å; Q400-G402 PolarHBondContact O-N 3.47Å; Q400-G402 VanDerWaalsContact O-N 3.1Å; G402-F404 PolarHBondContact O-N 3.46Å; G402-V405 WeakPolarHBondContact O-CB 3.19Å; G402-V405 PolarHBondContact O-N 2.88Å; G402-V405 VanDerWaalsContact O-N 3.08Å; G402-K418 PolarHBondContact O-NZ 3.44Å |
| 403 | N | 63.8 | Low | 82 | Confident | 108 Ų | 108 | 76.9 Ų | 76.9 | 58% | 0.578 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -61.1 | -26.3 | 179.4 | -73.4 | -4.3 | 0 | 0 | 0 | 114.1 | N401 V405 K418 | N401-N403 PolarHBondContact O-N 3.27Å; N403-V405 VanDerWaalsContact C-N 3.27Å; N403-V405 PolarHBondContact O-N 2.96Å; N403-K418 VanDerWaalsContact OD1-CE 3.3Å; N403-K418 WeakPolarHBondContact OD1-CE 3.3Å |
| 404 | F | 70.8 | Confident | 81.4 | Confident | 170 Ų | 170 | 76.8 Ų | 76.8 | 75% | 0.746 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -83.2 | -3.2 | 176.5 | -62 | -73 | 0 | 0 | 0 | 113.8 | N401 G402 | N401-F404 HydrophobicContact CB-CD2 3.97Å; N401-F404 HydrophobicContact CB-CE2 4.14Å; N401-F404 PolarHBondContact O-N 3.3Å; N401-F404 VanDerWaalsContact O-N 3.14Å; G402-F404 PolarHBondContact O-N 3.46Å |
| 405 | V | 74.1 | Confident | 80.4 | Confident | 29 Ų | 29 | 80.7 Ų | 80.7 | 18% | 0.176 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -83.2 | 122.3 | 177.7 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | G402 N403 P407 L409 L410 | G402-V405 WeakPolarHBondContact O-CB 3.19Å; G402-V405 PolarHBondContact O-N 2.88Å; G402-V405 VanDerWaalsContact O-N 3.08Å; N403-V405 VanDerWaalsContact C-N 3.27Å; N403-V405 PolarHBondContact O-N 2.96Å; V405-P407 WeakPolarHBondContact O-CD 3.08Å; V405-P407 VanDerWaalsContact O-N 3.17Å; V405-L409 HydrophobicContact CG1-CB 4.33Å; V405-L409 HydrophobicContact CG1-CD1 4.33Å; V405-L410 HydrophobicContact CG1-CD2 4.32Å; V405-L410 HydrophobicContact CG1-CG 4.24Å |
| 406 | K | 78.6 | Confident | 79.1 | Confident | 152 Ų | 152 | 84.9 Ų | 84.9 | 66% | 0.661 | 46% | 0.457 | S | S | * | . | trans | -49.3 | 123.3 | 175.7 | -105.7 | -178.2 | 179.9 | 177.5 | 0 | 109.5 | T408 L409 | K406-T408 PolarHBondContact O-N 3.25Å; K406-L409 HydrophobicContact CB-CD1 3.92Å; K406-L409 HydrophobicContact CB-CG 4.08Å; K406-L409 WeakPolarHBondContact O-CB 3.46Å; K406-L409 PolarHBondContact O-N 2.9Å | ||
| 407 | P | 77.2 | Confident | 77.5 | Confident | 65 Ų | 65 | 87.1 Ų | 87.1 | 42% | 0.422 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -62.4 | -21.4 | -172.5 | -24.9 | 34.2 | 0 | 0 | 0 | 113.8 | V405 L409 L410 R415 | V405-P407 WeakPolarHBondContact O-CD 3.08Å; V405-P407 VanDerWaalsContact O-N 3.17Å; P407-L409 PolarHBondContact O-N 3.41Å; P407-L410 PolarHBondContact O-N 3.35Å; P407-R415 VanDerWaalsContact C-NE 3.29Å; P407-R415 HydrophobicContact CB-CG 4.09Å; P407-R415 VanDerWaalsContact O-CD 3.25Å; P407-R415 WeakPolarHBondContact O-CD 3.23Å; P407-R415 VanDerWaalsContact O-CZ 3.26Å; P407-R415 PolarHBondContact O-NE 3.47Å |
| 408 | T | 82.7 | Confident | 75.6 | Confident | 98 Ų | 98 | 87 Ų | 87 | 60% | 0.601 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -69.5 | -14.5 | 175.3 | 51 | 0 | 0 | 0 | 0 | 114.3 | K406 R415 | K406-T408 PolarHBondContact O-N 3.25Å; T408-R415 VanDerWaalsContact CG2-NH2 3.34Å |
| 409 | L | 85 | Confident | 73.5 | Confident | 110 Ų | 110 | 90.6 Ų | 90.6 | 58% | 0.576 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -87.8 | -15.3 | 177.1 | -58.9 | 173.6 | 0 | 0 | 0 | 112.4 | V405 K406 P407 | V405-L409 HydrophobicContact CG1-CB 4.33Å; V405-L409 HydrophobicContact CG1-CD1 4.33Å; K406-L409 HydrophobicContact CB-CD1 3.92Å; K406-L409 HydrophobicContact CB-CG 4.08Å; K406-L409 WeakPolarHBondContact O-CB 3.46Å; K406-L409 PolarHBondContact O-N 2.9Å; P407-L409 PolarHBondContact O-N 3.41Å |
| 410 | L | 86.5 | Confident | 71.3 | Confident | 9 Ų | 9 | 94.4 Ų | 94.4 | 5% | 0.047 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -94.5 | 146.9 | -179.4 | -63.7 | 173.2 | 0 | 0 | 0 | 110.6 | P295 V405 P407 V414 K418 | P295-L410 HydrophobicContact CB-CD1 4.39Å; P295-L410 HydrophobicContact CB-CD2 4.06Å; V405-L410 HydrophobicContact CG1-CD2 4.32Å; V405-L410 HydrophobicContact CG1-CG 4.24Å; P407-L410 PolarHBondContact O-N 3.35Å; L410-V414 HydrophobicContact CD1-CG1 4.39Å; L410-K418 HydrophobicContact CD1-CD 4.41Å |
| 411 | S | 85.6 | Confident | 69.4 | Low | 17 Ų | 17 | 99.5 Ų | 99.5 | 12% | 0.119 | 50% | 0.498 | C | S | . | . | trans | -53.5 | 142.1 | 173 | 164.2 | 0 | 0 | 0 | 0 | 110.9 | M292 M413 V414 R415 | M292-S411 PolarHBondContact O-N 2.93Å; M292-S411 VanDerWaalsContact O-N 3.09Å; S411-M413 PolarHBondContact O-N 2.88Å; S411-M413 VanDerWaalsContact O-N 3.08Å; S411-M413 PolarHBondContact OG-N 2.94Å; S411-V414 PolarHBondContact O-N 3.17Å; S411-R415 PolarHBondContact O-N 3.37Å | ||
| 412 | P | 81.1 | Confident | 67.5 | Low | 106 Ų | 106 | 102.8 Ų | 102.8 | 69% | 0.688 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -50.7 | -34.8 | 174.3 | -25.4 | 32.8 | 0 | 0 | 0 | 113 | R415 H416 | P412-R415 PolarHBondContact O-N 3.27Å; P412-H416 PolarHBondContact O-N 3.45Å |
| 413 | M | 81.2 | Confident | 65.6 | Low | 143 Ų | 143 | 107.6 Ų | 107.6 | 70% | 0.704 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.1 | -44.9 | 177.1 | -69.6 | -177.7 | 138 | 0 | 0 | 111.9 | S411 F417 | S411-M413 PolarHBondContact O-N 2.88Å; S411-M413 VanDerWaalsContact O-N 3.08Å; S411-M413 PolarHBondContact OG-N 2.94Å; M413-F417 WeakPolarHBondContact O-CD2 3.22Å |
| 414 | V | 81 | Confident | 63.9 | Low | 30 Ų | 30 | 112.9 Ų | 112.9 | 18% | 0.182 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -71.5 | -36.5 | 177.6 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | F293 L410 S411 H416 F417 K418 | F293-V414 HydrophobicContact CD1-CG2 3.95Å; L410-V414 HydrophobicContact CD1-CG1 4.39Å; S411-V414 PolarHBondContact O-N 3.17Å; V414-H416 VanDerWaalsContact C-N 3.32Å; V414-H416 PolarHBondContact O-N 3.45Å; V414-F417 PolarHBondContact O-N 2.98Å; V414-K418 PolarHBondContact O-N 3.07Å |
| 415 | R | 73.7 | Confident | 61.9 | Low | 83 Ų | 83 | 113.7 Ų | 113.7 | 31% | 0.313 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.9 | -39 | 178.3 | -137.6 | 179.1 | 177.9 | 173.6 | 2.4 | 111.8 | P407 T408 S411 P412 F417 K418 M419 | P407-R415 VanDerWaalsContact C-NE 3.29Å; P407-R415 HydrophobicContact CB-CG 4.09Å; P407-R415 VanDerWaalsContact O-CD 3.25Å; P407-R415 WeakPolarHBondContact O-CD 3.23Å; P407-R415 VanDerWaalsContact O-CZ 3.26Å; P407-R415 PolarHBondContact O-NE 3.47Å; T408-R415 VanDerWaalsContact CG2-NH2 3.34Å; S411-R415 PolarHBondContact O-N 3.37Å; P412-R415 PolarHBondContact O-N 3.27Å; R415-F417 VanDerWaalsContact C-N 3.31Å; R415-F417 PolarHBondContact O-N 2.91Å; R415-K418 CarbonylContact O-C 3.56Å; R415-K418 WeakPolarHBondContact O-CA 3.44Å; R415-K418 PolarHBondContact O-N 3.41Å; R415-M419 PolarHBondContact O-N 3.19Å |
| 416 | H | 64.9 | Low | 59.8 | Low | 154 Ų | 154 | 121 Ų | 121 | 71% | 0.713 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.4 | -36.7 | 178.3 | -140.4 | 77.6 | 0 | 0 | 0 | 112 | P412 V414 K418 | P412-H416 PolarHBondContact O-N 3.45Å; V414-H416 VanDerWaalsContact C-N 3.32Å; V414-H416 PolarHBondContact O-N 3.45Å; H416-K418 PolarHBondContact O-N 3.3Å |
| 417 | F | 61.2 | Low | 57.3 | Low | 192 Ų | 192 | 123.9 Ų | 123.9 | 84% | 0.842 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.7 | -15.7 | 171.6 | -87.1 | -84.1 | 0 | 0 | 0 | 113.7 | M413 V414 R415 | M413-F417 WeakPolarHBondContact O-CD2 3.22Å; V414-F417 PolarHBondContact O-N 2.98Å; R415-F417 VanDerWaalsContact C-N 3.31Å; R415-F417 PolarHBondContact O-N 2.91Å |
| 418 | K | 50.9 | Low | 54.9 | Low | 58 Ų | 58 | 125.1 Ų | 125.1 | 25% | 0.252 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -106.2 | -32.2 | -174.9 | -137.8 | -176.4 | 178.3 | -160.1 | 0 | 114.5 | G402 N403 L410 V414 R415 H416 N420 K421 | G402-K418 PolarHBondContact O-NZ 3.44Å; N403-K418 VanDerWaalsContact OD1-CE 3.3Å; N403-K418 WeakPolarHBondContact OD1-CE 3.3Å; L410-K418 HydrophobicContact CD1-CD 4.41Å; V414-K418 PolarHBondContact O-N 3.07Å; R415-K418 CarbonylContact O-C 3.56Å; R415-K418 WeakPolarHBondContact O-CA 3.44Å; R415-K418 PolarHBondContact O-N 3.41Å; H416-K418 PolarHBondContact O-N 3.3Å; K418-N420 PolarHBondContact O-N 2.98Å; K418-K421 PolarHBondContact O-N 3.21Å |
| 419 | M | 40.1 | Very low | 52.2 | Low | 119 Ų | 119 | 129.6 Ų | 129.6 | 59% | 0.586 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.6 | -10.8 | -179.7 | -77.2 | -161.1 | 85.2 | 0 | 0 | 113.9 | R415 K421 | R415-M419 PolarHBondContact O-N 3.19Å; M419-K421 PolarHBondContact O-N 2.83Å |
| 420 | N | 39.4 | Very low | 49.5 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 81% | 0.807 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 3.1 | 167.1 | -81.6 | -4.9 | 0 | 0 | 0 | 113.9 | K418 | K418-N420 PolarHBondContact O-N 2.98Š|
| 421 | K | 41.3 | Very low | 46.5 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 82% | 0.817 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | -19.5 | 178.8 | -115.3 | 179.9 | 178.3 | -179 | 0 | 117.2 | K418 M419 | K418-K421 PolarHBondContact O-N 3.21Å; M419-K421 PolarHBondContact O-N 2.83Å |
| 422 | E | 32.2 | Very low | 43.7 | Very low | 164 Ų | 164 | 147.5 Ų | 147.5 | 77% | 0.766 | 72% | 0.722 | S | S | * | * | trans | -145.1 | 89 | -174.2 | -75.9 | 177.5 | 176.3 | 0 | 0 | 113 | ||||
| 423 | T | 27.3 | Very low | 41.1 | Very low | 113 Ų | 113 | 152.2 Ų | 152.2 | 69% | 0.693 | 74% | 0.735 | S | S | * | * | trans | -106.2 | 123 | 151.5 | -57.4 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 424 | Y | 27.8 | Very low | 38.6 | Very low | 220 Ų | 220 | 149.3 Ų | 149.3 | 86% | 0.863 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 168.5 | -17.9 | 138.1 | -97.1 | -75.4 | 0 | 0 | 0 | 118.6 | ||
| 425 | E | 28.9 | Very low | 36 | Very low | 187 Ų | 187 | 156.7 Ų | 156.7 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -111.9 | 7 | -158.6 | -76.5 | -169.3 | 167.7 | 0 | 0 | 122.1 | ||
| 426 | L | 30.1 | Very low | 33.8 | Very low | 181 Ų | 181 | 157.7 Ų | 157.7 | 95% | 0.948 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -124.3 | 27.2 | -173.2 | -86.3 | 159.3 | 0 | 0 | 0 | 117.2 | ||
| 427 | K | 26.1 | Very low | 31.8 | Very low | 213 Ų | 213 | 155.1 Ų | 155.1 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -110.7 | 7.1 | 176.3 | -109.7 | -175.1 | -179.1 | -176.6 | 0 | 116.6 | ||
| 428 | A | 26.3 | Very low | 30 | Very low | 91 Ų | 91 | 151 Ų | 151 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -154.3 | 85.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 429 | E | 26.5 | Very low | 28.6 | Very low | 192 Ų | 192 | 154.9 Ų | 154.9 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | trans | -172.6 | 139.8 | 147 | -111.9 | 172.1 | -173.1 | 0 | 0 | 111.8 | ||||
| 430 | K | 27.9 | Very low | 27.8 | Very low | 200 Ų | 200 | 155.5 Ų | 155.5 | 87% | 0.87 | 84% | 0.837 | S | S | * | * | trans | 86.2 | 77.8 | 174.7 | -63.6 | -172.1 | 172.4 | -176.8 | 0 | 118.7 | ||||
| 431 | N | 23.5 | Very low | 27 | Very low | 155 Ų | 155 | 153.7 Ų | 153.7 | 83% | 0.829 | 84% | 0.837 | S | S | * | * | -76.9 | 160.6 | 125.6 | -78.4 | -20.6 | 0 | 0 | 0 | 109.9 | |||||
| 432 | D | 26.2 | Very low | 26.1 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | trans | 86 | 90.5 | 170.2 | -64.4 | -13.4 | 0 | 0 | 0 | 118.8 | ||||
| 433 | E | 27.1 | Very low | 25.7 | Very low | 204 Ų | 204 | 147.1 Ų | 147.1 | 95% | 0.953 | 83% | 0.827 | S | S | * | * | S | Bend | 178.9 | 125.4 | 110.1 | -93.3 | -178.9 | -175.9 | 0 | 0 | 110.3 | |||
| 434 | G | 28.7 | Very low | 25.5 | Very low | 82 Ų | 82 | 146.2 Ų | 146.2 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | 103.5 | 98.8 | 157 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 435 | E | 25 | Very low | 25.3 | Very low | 186 Ų | 186 | 140.7 Ų | 140.7 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -51.1 | 169.2 | 159.3 | -91 | -169.3 | 129.8 | 0 | 0 | 115.6 | ||||
| 436 | P | 28.4 | Very low | 25 | Very low | 104 Ų | 104 | 135 Ų | 135 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | cis | -138 | 155.4 | -33.1 | 34.7 | -16.7 | 0 | 0 | 0 | 114.8 | ||||
| 437 | A | 24 | Very low | 24.7 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 23 | 105.5 | 143.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 438 | A | 22.7 | Very low | 24.6 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | trans | -153.9 | 74.9 | 142.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 439 | T | 21.6 | Very low | 24.4 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | trans | -113.4 | 86.1 | 165 | -1.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 440 | T | 22.2 | Very low | 24.3 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | -159.3 | 122.5 | 147.4 | -14.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 441 | S | 22.7 | Very low | 24 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | 69.7 | 114.4 | 155.7 | 72.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 442 | A | 23.8 | Very low | 24 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | trans | 179.7 | 74.5 | 134.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 443 | L | 23.8 | Very low | 23.7 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | -11.8 | 130.9 | 105.8 | -129.6 | 94.9 | 0 | 0 | 0 | 113.3 | F844 | L443-F844 HydrophobicContact CB-CE1 3.59Å; L443-F844 HydrophobicContact CB-CZ 3.96Å; L443-F844 HydrophobicContact CD2-CE1 4.28Å; L443-F844 HydrophobicContact CD2-CZ 3.76Å; L443-F844 HydrophobicContact CG-CZ 4.42Å; L443-F844 WeakPolarHBondContact O-CD1 3.46Å; L443-F844 WeakPolarHBondContact O-CE1 3.25Å | |||
| 444 | K | 22.5 | Very low | 23.4 | Very low | 94 Ų | 94 | 123.5 Ų | 123.5 | 41% | 0.409 | 74% | 0.736 | S | S | . | * | trans | 63.2 | 112.9 | 164.3 | -57.6 | -154.9 | -166.2 | 128.8 | 0 | 120.2 | L840 F844 | K444-L840 HydrophobicContact CD-CD2 3.53Å; K444-L840 HydrophobicContact CD-CG 3.77Å; K444-L840 VanDerWaalsContact NZ-CD2 3.29Å; K444-F844 HydrophobicContact CB-CB 4.25Å; K444-F844 HydrophobicContact CB-CD1 3.79Å; K444-F844 HydrophobicContact CB-CD2 3.32Å; K444-F844 HydrophobicContact CB-CE1 3.94Å; K444-F844 HydrophobicContact CB-CE2 3.57Å; K444-F844 HydrophobicContact CB-CG 3.48Å; K444-F844 VanDerWaalsContact CB-CG 3.48Å; K444-F844 HydrophobicContact CB-CZ 3.83Å; K444-F844 HydrophobicContact CD-CD2 3.58Å; K444-F844 HydrophobicContact CD-CE2 3.19Å; K444-F844 HydrophobicContact CD-CZ 3.83Å; K444-F844 HydrophobicContact CG-CD2 3.77Å; K444-F844 HydrophobicContact CG-CE1 4.18Å; K444-F844 HydrophobicContact CG-CE2 3.46Å; K444-F844 VanDerWaalsContact CG-CE2 3.46Å; K444-F844 HydrophobicContact CG-CG 4.32Å; K444-F844 HydrophobicContact CG-CZ 3.64Å; K444-F844 WeakPolarHBondContact O-CB 3.3Å | ||
| 445 | R | 23 | Very low | 23.1 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 39% | 0.389 | 74% | 0.737 | S | S | . | * | trans | 173.2 | 140 | 132 | -101.4 | 156.6 | -171.9 | -95.6 | -17 | 107.8 | Q238 H841 F844 A845 | Q238-R445 PolarHBondContact OE1-O 3.49Å; R445-H841 VanDerWaalsContact CZ-CE1 3.48Å; R445-H841 PolarHBondContact NH1-CE1 3.5Å; R445-H841 VanDerWaalsContact NH1-CE1 3.25Å; R445-H841 VanDerWaalsContact NH2-C 3.31Å; R445-H841 VanDerWaalsContact NH2-CA 3.34Å; R445-H841 PolarHBondContact NH2-CD2 3.03Å; R445-H841 PolarHBondContact NH2-CE1 3.14Å; R445-H841 PolarHBondContact NH2-ND1 3.34Å; R445-H841 PolarHBondContact NH2-NE2 2.94Å; R445-H841 PolarHBondContact NH2-O 2.88Å; R445-F844 HydrophobicContact CG-CB 4.37Å; R445-F844 PolarHBondContact NE-O 2.61Å; R445-A845 VanDerWaalsContact NE-N 3.13Å; R445-A845 VanDerWaalsContact NH1-CB 3.27Å | ||
| 446 | S | 23 | Very low | 22.9 | Very low | 69 Ų | 69 | 123.4 Ų | 123.4 | 48% | 0.483 | 73% | 0.729 | S | S | . | * | cis | -176.9 | 142 | 8.2 | 19.7 | 0 | 0 | 0 | 0 | 108.3 | Q238 | Q238-S446 WeakPolarHBondContact CG-O 3.19Å; Q238-S446 PolarHBondContact NE2-O 2.85Å; Q238-S446 PolarHBondContact OE1-O 2.9Å; Q238-S446 VanDerWaalsContact OE1-O 3.13Å | ||
| 447 | L | 24.3 | Very low | 22.5 | Very low | 153 Ų | 153 | 123.8 Ų | 123.8 | 80% | 0.801 | 73% | 0.733 | S | S | * | * | trans | -50.4 | 135.5 | 161.4 | -113.6 | 99.8 | 0 | 0 | 0 | 110.6 | ||||
| 448 | V | 23.8 | Very low | 22.4 | Very low | 125 Ų | 125 | 124.1 Ų | 124.1 | 76% | 0.758 | 73% | 0.73 | S | S | * | * | trans | -178.6 | 133 | 159.9 | 157.8 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 449 | L | 22.4 | Very low | 22.3 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | cis | -158.8 | 168.7 | 2 | -141.4 | 105.7 | 0 | 0 | 0 | 108.4 | ||||
| 450 | I | 23.5 | Very low | 22.2 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 67% | 0.672 | 73% | 0.734 | S | S | * | * | trans | -99.9 | 140.7 | 177.8 | -67.8 | 165.8 | 0 | 0 | 0 | 110.2 | ||||
| 451 | D | 21.7 | Very low | 22.2 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | trans | 173.8 | 143 | 135.2 | -100.7 | -12.7 | 0 | 0 | 0 | 107 | ||||
| 452 | E | 23.6 | Very low | 22.1 | Very low | 187 Ų | 187 | 132.3 Ų | 132.3 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | cis | -140.8 | 158.3 | 27.9 | -77.4 | -172.3 | 138.3 | 0 | 0 | 112.8 | ||||
| 453 | L | 20.7 | Very low | 22 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | -82.1 | 146.8 | 162.7 | -81.9 | 123.5 | 0 | 0 | 0 | 111.5 | ||||
| 454 | S | 20.8 | Very low | 22.1 | Very low | 126 Ų | 126 | 134 Ų | 134 | 88% | 0.881 | 74% | 0.74 | S | S | * | * | -158.2 | 157.7 | 128.1 | 78.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 455 | F | 21 | Very low | 22.1 | Very low | 199 Ų | 199 | 135 Ų | 135 | 87% | 0.873 | 76% | 0.759 | S | S | * | * | trans | -105.9 | 162.1 | -155.4 | -117.8 | -101.6 | 0 | 0 | 0 | 112.9 | ||||
| 456 | G | 21.2 | Very low | 22.2 | Very low | 67 Ų | 67 | 139.3 Ų | 139.3 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | 130.8 | 136.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 457 | S | 21.2 | Very low | 22.4 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | cis | -169.8 | 153.6 | 0.9 | 45.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 458 | S | 20.1 | Very low | 22.6 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | 56.2 | 113.7 | 149.2 | -41.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 459 | F | 21.6 | Very low | 22.8 | Very low | 216 Ų | 216 | 142.4 Ų | 142.4 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | trans | -151.4 | 119.3 | 140 | -110.7 | -80.8 | 0 | 0 | 0 | 111.1 | ||||
| 460 | D | 19.3 | Very low | 23.3 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -69 | 141.2 | 172.4 | -76.5 | -46 | 0 | 0 | 0 | 111.5 | ||||
| 461 | F | 21.9 | Very low | 24.2 | Very low | 191 Ų | 191 | 141.3 Ų | 141.3 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -148.6 | 124.3 | 147.6 | -164.6 | -102.1 | 0 | 0 | 0 | 111.1 | ||||
| 462 | S | 21.3 | Very low | 25.3 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 139.9 | -176.6 | 25.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 463 | V | 22.3 | Very low | 26.8 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 87% | 0.873 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 122.1 | 177.2 | 175.7 | 0 | 0 | 0 | 0 | 109.1 | ||
| 464 | S | 24.4 | Very low | 28.3 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 132.1 | 162.4 | 51.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 465 | S | 23.6 | Very low | 30.3 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 141.4 | -177 | 34.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 466 | F | 25.3 | Very low | 32.2 | Very low | 194 Ų | 194 | 121.9 Ų | 121.9 | 85% | 0.851 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 144.3 | 163.5 | -80.4 | -81.8 | 0 | 0 | 0 | 110.1 | ||
| 467 | P | 26.1 | Very low | 34.5 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 135.8 | -171 | 32.5 | -31.4 | 0 | 0 | 0 | 111.6 | ||
| 468 | S | 29.4 | Very low | 37.2 | Very low | 107 Ų | 107 | 117.4 Ų | 117.4 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -78 | 135.3 | 173.3 | 45.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 469 | M | 27.7 | Very low | 40.2 | Very low | 181 Ų | 181 | 114.2 Ų | 114.2 | 89% | 0.892 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 122.8 | 159.5 | -123.9 | 168.6 | 89.3 | 0 | 0 | 107.6 | T471 | M469-T471 PolarHBondContact O-N 3.26Š|
| 470 | D | 32.1 | Very low | 43.1 | Very low | 158 Ų | 158 | 108.9 Ų | 108.9 | 85% | 0.845 | 66% | 0.656 | S | S | * | * | trans | -73.9 | 100.9 | -171.4 | -131.7 | -14.7 | 0 | 0 | 0 | 110.7 | ||||
| 471 | T | 43.6 | Very low | 46.4 | Very low | 87 Ų | 87 | 104.7 Ų | 104.7 | 53% | 0.534 | 64% | 0.635 | S | S | . | * | trans | -95.8 | 7.3 | 174.5 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | M469 I473 | M469-T471 PolarHBondContact O-N 3.26Å; T471-I473 PolarHBondContact O-N 3.22Å | ||
| 472 | G | 44.1 | Very low | 49.5 | Very low | 70 Ų | 70 | 95.8 Ų | 95.8 | 72% | 0.722 | 60% | 0.597 | S | S | * | * | S | Bend | trans | 68.8 | 10 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 473 | I | 55 | Low | 52.5 | Low | 60 Ų | 60 | 95.7 Ų | 95.7 | 31% | 0.308 | 58% | 0.582 | S | S | . | * | trans | -105.1 | 100.2 | 176.7 | -57.6 | 173.1 | 0 | 0 | 0 | 108.6 | T471 L475 L783 N797 | T471-I473 PolarHBondContact O-N 3.22Å; I473-L475 HydrophobicContact CG2-CD1 4.14Å; I473-L475 PolarHBondContact O-N 2.72Å; I473-L783 HydrophobicContact CD1-CD1 3.48Å; I473-L783 VanDerWaalsContact CD1-CD1 3.48Å; I473-N797 WeakPolarHBondContact CG2-OD1 3.43Å | ||
| 474 | N | 52.7 | Low | 55.6 | Low | 160 Ų | 160 | 91.1 Ų | 91.1 | 86% | 0.856 | 56% | 0.56 | S | S | * | * | trans | -77.4 | 99.7 | 170.8 | -88.2 | -42.1 | 0 | 0 | 0 | 109.5 | G476 | N474-G476 PolarHBondContact O-N 3.35Š| ||
| 475 | L | 62.4 | Low | 58.5 | Low | 84 Ų | 84 | 88.6 Ų | 88.6 | 44% | 0.44 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 130.6 | 168.7 | -86.8 | 84.5 | 0 | 0 | 0 | 109.4 | I473 G477 F793 M796 | I473-L475 HydrophobicContact CG2-CD1 4.14Å; I473-L475 PolarHBondContact O-N 2.72Å; L475-G477 PolarHBondContact O-N 2.99Å; L475-F793 HydrophobicContact CD1-CE2 4.16Å; L475-F793 HydrophobicContact CD2-CD2 4.33Å; L475-F793 HydrophobicContact CD2-CE2 4.33Å; L475-M796 HydrophobicContact CD2-CB 4.25Å |
| 476 | G | 61.3 | Low | 61.3 | Low | 23 Ų | 23 | 83.9 Ų | 83.9 | 24% | 0.237 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 137.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | N474 M796 | N474-G476 PolarHBondContact O-N 3.35Å; G476-M796 PolarHBondContact N-O 2.66Å; G476-M796 WeakPolarHBondContact O-CE 3.45Å |
| 477 | G | 68.4 | Low | 64.1 | Low | 65 Ų | 65 | 78.8 Ų | 78.8 | 67% | 0.67 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 150 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L475 S479 | L475-G477 PolarHBondContact O-N 2.99Å; G477-S479 PolarHBondContact O-N 3.33Å |
| 478 | F | 78.2 | Confident | 66.8 | Low | 20 Ų | 20 | 78 Ų | 78 | 9% | 0.088 | 48% | 0.475 | C | S | . | . | trans | -65.7 | 114.5 | 172.7 | -153.3 | -109.3 | 0 | 0 | 0 | 109.7 | D482 Y483 F486 V625 T626 M796 P806 V810 | F478-D482 HydrophobicContact CD1-CB 3.66Å; F478-D482 HydrophobicContact CD2-CB 3.89Å; F478-D482 VanDerWaalsContact CE1-C 3.41Å; F478-D482 HydrophobicContact CE1-CB 3.53Å; F478-D482 HydrophobicContact CE2-CB 3.74Å; F478-D482 HydrophobicContact CG-CB 3.86Å; F478-D482 HydrophobicContact CZ-CB 3.58Å; F478-Y483 HydrophobicContact CB-CE2 4.07Å; F478-Y483 AromaticContact CD1-CD1 3.72Å; F478-Y483 HydrophobicContact CD1-CD1 3.72Å; F478-Y483 AromaticContact CD1-CD2 3.66Å; F478-Y483 HydrophobicContact CD1-CD2 3.66Å; F478-Y483 AromaticContact CD1-CE1 3.69Å; F478-Y483 HydrophobicContact CD1-CE1 3.69Å; F478-Y483 AromaticContact CD1-CE2 3.63Å; F478-Y483 HydrophobicContact CD1-CE2 3.63Å; F478-Y483 AromaticContact CD1-CG 3.7Å; F478-Y483 HydrophobicContact CD1-CG 3.7Å; F478-Y483 AromaticContact CD1-CZ 3.64Å; F478-Y483 AromaticContact CE1-CD1 3.83Å; F478-Y483 HydrophobicContact CE1-CD1 3.83Å; F478-Y483 HydrophobicContact CE1-CD2 4.39Å; F478-Y483 HydrophobicContact CE1-CE1 4.1Å; F478-Y483 AromaticContact CE1-CG 3.98Å; F478-Y483 HydrophobicContact CE1-CG 3.98Å; F478-Y483 HydrophobicContact CG-CE2 4.34Å; F478-Y483 WeakPolarHBondContact O-CE2 3.39Å; F478-F486 HydrophobicContact CE1-CB 4.48Å; F478-F486 HydrophobicContact CZ-CB 4.45Å; F478-V625 HydrophobicContact CD2-CB 4.45Å; F478-V625 HydrophobicContact CD2-CG2 4.29Å; F478-V625 HydrophobicContact CE2-CG2 4.17Å; F478-T626 HydrophobicContact CD1-CG2 4.28Å; F478-T626 HydrophobicContact CG-CG2 4.28Å; F478-M796 HydrophobicContact CB-CE 4.47Å; F478-M796 HydrophobicContact CD2-CE 4.32Å; F478-M796 HydrophobicContact CD2-SD 4.49Å; F478-P806 HydrophobicContact CD2-CB 4.07Å; F478-P806 HydrophobicContact CE2-CB 3.97Å; F478-V810 HydrophobicContact CE2-CG2 3.79Å; F478-V810 HydrophobicContact CZ-CB 4.34Å; F478-V810 HydrophobicContact CZ-CG2 4.07Å | ||
| 479 | S | 83.3 | Confident | 69.1 | Low | 38 Ų | 38 | 74 Ų | 74 | 27% | 0.266 | 45% | 0.446 | S | S | . | . | trans | -75.4 | 164.4 | -173 | 76.4 | 0 | 0 | 0 | 0 | 112.1 | G477 V481 D482 Y483 | G477-S479 PolarHBondContact O-N 3.33Å; S479-V481 PolarHBondContact O-N 3.27Å; S479-V481 PolarHBondContact OG-N 2.96Å; S479-D482 VanDerWaalsContact CB-OD2 3.23Å; S479-D482 WeakPolarHBondContact CB-OD2 3.3Å; S479-D482 PolarHBondContact N-OD2 3.34Å; S479-D482 WeakPolarHBondContact O-CB 3.45Å; S479-D482 PolarHBondContact O-N 3.36Å; S479-D482 PolarHBondContact OG-N 3.41Å; S479-D482 PolarHBondContact OG-OD2 2.96Å; S479-Y483 WeakPolarHBondContact O-CD2 3.37Å; S479-Y483 PolarHBondContact O-N 2.91Å | ||
| 480 | S | 83.8 | Confident | 71.4 | Confident | 105 Ų | 105 | 67 Ų | 67 | 73% | 0.734 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -59.2 | -31.7 | 174 | -53.1 | 0 | 0 | 0 | 0 | 112.8 | A484 | S480-A484 PolarHBondContact O-N 3.43Å |
| 481 | V | 87.7 | Confident | 73.6 | Confident | 73 Ų | 73 | 61.6 Ų | 61.6 | 44% | 0.442 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.1 | -40.5 | 175 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | S479 A484 I485 T803 | S479-V481 PolarHBondContact O-N 3.27Å; S479-V481 PolarHBondContact OG-N 2.96Å; V481-A484 PolarHBondContact O-N 3.28Å; V481-I485 HydrophobicContact CG1-CD1 4.04Å; V481-I485 WeakPolarHBondContact O-CG1 3.38Å; V481-I485 PolarHBondContact O-N 3.13Å; V481-T803 HydrophobicContact CB-CG2 3.97Å; V481-T803 HydrophobicContact CG1-CG2 4.31Å; V481-T803 HydrophobicContact CG2-CG2 4Å |
| 482 | D | 86.7 | Confident | 75.3 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 176.7 | -60.7 | -55.3 | 0 | 0 | 0 | 111.4 | F478 S479 A484 I485 F486 G804 P806 G807 | F478-D482 HydrophobicContact CD1-CB 3.66Å; F478-D482 HydrophobicContact CD2-CB 3.89Å; F478-D482 VanDerWaalsContact CE1-C 3.41Å; F478-D482 HydrophobicContact CE1-CB 3.53Å; F478-D482 HydrophobicContact CE2-CB 3.74Å; F478-D482 HydrophobicContact CG-CB 3.86Å; F478-D482 HydrophobicContact CZ-CB 3.58Å; S479-D482 VanDerWaalsContact CB-OD2 3.23Å; S479-D482 WeakPolarHBondContact CB-OD2 3.3Å; S479-D482 PolarHBondContact N-OD2 3.34Å; S479-D482 WeakPolarHBondContact O-CB 3.45Å; S479-D482 PolarHBondContact O-N 3.36Å; S479-D482 PolarHBondContact OG-N 3.41Å; S479-D482 PolarHBondContact OG-OD2 2.96Å; D482-A484 PolarHBondContact O-N 3.41Å; D482-I485 PolarHBondContact O-N 3.01Å; D482-F486 WeakPolarHBondContact O-CB 3.43Å; D482-F486 PolarHBondContact O-N 2.95Å; D482-G804 WeakPolarHBondContact OD1-CA 3.22Å; D482-G804 PolarHBondContact OD1-N 2.75Å; D482-G804 VanDerWaalsContact OD1-N 3.12Å; D482-P806 WeakPolarHBondContact OD1-CD 3.33Å; D482-G807 PolarHBondContact OD1-N 3.29Å |
| 483 | Y | 84 | Confident | 76.6 | Confident | 93 Ų | 93 | 57.8 Ų | 57.8 | 37% | 0.365 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 173 | -79.4 | -67 | 0 | 0 | 0 | 112.2 | F478 S479 F486 V487 T626 | F478-Y483 HydrophobicContact CB-CE2 4.07Å; F478-Y483 AromaticContact CD1-CD1 3.72Å; F478-Y483 HydrophobicContact CD1-CD1 3.72Å; F478-Y483 AromaticContact CD1-CD2 3.66Å; F478-Y483 HydrophobicContact CD1-CD2 3.66Å; F478-Y483 AromaticContact CD1-CE1 3.69Å; F478-Y483 HydrophobicContact CD1-CE1 3.69Å; F478-Y483 AromaticContact CD1-CE2 3.63Å; F478-Y483 HydrophobicContact CD1-CE2 3.63Å; F478-Y483 AromaticContact CD1-CG 3.7Å; F478-Y483 HydrophobicContact CD1-CG 3.7Å; F478-Y483 AromaticContact CD1-CZ 3.64Å; F478-Y483 AromaticContact CE1-CD1 3.83Å; F478-Y483 HydrophobicContact CE1-CD1 3.83Å; F478-Y483 HydrophobicContact CE1-CD2 4.39Å; F478-Y483 HydrophobicContact CE1-CE1 4.1Å; F478-Y483 AromaticContact CE1-CG 3.98Å; F478-Y483 HydrophobicContact CE1-CG 3.98Å; F478-Y483 HydrophobicContact CG-CE2 4.34Å; F478-Y483 WeakPolarHBondContact O-CE2 3.39Å; S479-Y483 WeakPolarHBondContact O-CD2 3.37Å; S479-Y483 PolarHBondContact O-N 2.91Å; Y483-F486 PolarHBondContact O-N 2.79Å; Y483-V487 WeakPolarHBondContact O-CB 3.45Å; Y483-V487 VanDerWaalsContact O-CG2 3.26Å; Y483-V487 WeakPolarHBondContact O-CG2 3.41Å; Y483-V487 PolarHBondContact O-N 3.28Å; Y483-T626 HydrophobicContact CE1-CG2 4.34Å |
| 484 | A | 87.1 | Confident | 77.4 | Confident | 48 Ų | 48 | 56.2 Ų | 56.2 | 40% | 0.397 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.9 | -49.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | S480 V481 D482 F486 V487 I488 | S480-A484 PolarHBondContact O-N 3.43Å; V481-A484 PolarHBondContact O-N 3.28Å; D482-A484 PolarHBondContact O-N 3.41Å; A484-F486 VanDerWaalsContact C-N 3.3Å; A484-F486 PolarHBondContact O-N 3.49Å; A484-V487 PolarHBondContact O-N 2.6Å; A484-I488 WeakPolarHBondContact O-CB 3.43Å; A484-I488 WeakPolarHBondContact O-CD1 3.21Å; A484-I488 WeakPolarHBondContact O-CG1 3.25Å; A484-I488 PolarHBondContact O-N 3.33Å |
| 485 | I | 86.2 | Confident | 78.6 | Confident | 51 Ų | 51 | 54.6 Ų | 54.6 | 26% | 0.262 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 177.8 | -67.7 | 168.7 | 0 | 0 | 0 | 110.5 | V481 D482 T489 G804 A811 | V481-I485 HydrophobicContact CG1-CD1 4.04Å; V481-I485 WeakPolarHBondContact O-CG1 3.38Å; V481-I485 PolarHBondContact O-N 3.13Å; D482-I485 PolarHBondContact O-N 3.01Å; I485-T489 WeakPolarHBondContact O-CB 3.29Å; I485-T489 PolarHBondContact O-N 3.46Å; I485-T489 PolarHBondContact O-OG1 3.26Å; I485-G804 WeakPolarHBondContact CD1-O 3.5Å; I485-A811 HydrophobicContact CG2-CB 4.39Å |
| 486 | F | 82.4 | Confident | 79.2 | Confident | 18 Ų | 18 | 52.4 Ų | 52.4 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63 | -49.6 | 179.2 | 178.2 | -121.1 | 0 | 0 | 0 | 112.4 | F478 D482 Y483 A484 I488 T489 L490 L622 V810 Y814 | F478-F486 HydrophobicContact CE1-CB 4.48Å; F478-F486 HydrophobicContact CZ-CB 4.45Å; D482-F486 WeakPolarHBondContact O-CB 3.43Å; D482-F486 PolarHBondContact O-N 2.95Å; Y483-F486 PolarHBondContact O-N 2.79Å; A484-F486 VanDerWaalsContact C-N 3.3Å; A484-F486 PolarHBondContact O-N 3.49Å; F486-I488 PolarHBondContact O-N 2.68Å; F486-T489 WeakPolarHBondContact O-CB 3.34Å; F486-T489 PolarHBondContact O-N 2.96Å; F486-L490 HydrophobicContact CD1-CD1 4.45Å; F486-L490 HydrophobicContact CE1-CD1 3.83Å; F486-L490 HydrophobicContact CE2-CD1 3.99Å; F486-L490 HydrophobicContact CE2-CD2 4.37Å; F486-L490 HydrophobicContact CE2-CG 4.17Å; F486-L490 HydrophobicContact CZ-CD1 3.58Å; F486-L490 HydrophobicContact CZ-CG 4.27Å; F486-L490 PolarHBondContact O-N 2.87Å; F486-L490 VanDerWaalsContact O-N 3.12Å; F486-L622 HydrophobicContact CE1-CD1 3.9Å; F486-L622 HydrophobicContact CE1-CD2 4.22Å; F486-L622 HydrophobicContact CZ-CD1 3.89Å; F486-L622 HydrophobicContact CZ-CD2 4.07Å; F486-V810 HydrophobicContact CD2-CB 4.29Å; F486-V810 HydrophobicContact CD2-CG1 3.56Å; F486-V810 HydrophobicContact CE2-CG1 3.52Å; F486-V810 HydrophobicContact CG-CG1 4.26Å; F486-V810 HydrophobicContact CZ-CG1 4.17Å; F486-Y814 AromaticContact CE2-CD1 3.97Å; F486-Y814 HydrophobicContact CE2-CD1 3.97Å; F486-Y814 AromaticContact CE2-CD2 3.68Å; F486-Y814 HydrophobicContact CE2-CD2 3.68Å; F486-Y814 HydrophobicContact CE2-CE1 4.3Å; F486-Y814 HydrophobicContact CE2-CE2 4.08Å; F486-Y814 AromaticContact CE2-CG 3.63Å; F486-Y814 HydrophobicContact CE2-CG 3.63Å; F486-Y814 HydrophobicContact CZ-CD1 4.11Å; F486-Y814 HydrophobicContact CZ-CD2 4.16Å; F486-Y814 HydrophobicContact CZ-CE1 4Å; F486-Y814 HydrophobicContact CZ-CE2 4.11Å; F486-Y814 HydrophobicContact CZ-CG 4.17Å |
| 487 | V | 84.1 | Confident | 79.5 | Confident | 87 Ų | 87 | 51.3 Ų | 51.3 | 53% | 0.527 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | -179.8 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | Y483 A484 T489 L490 A491 | Y483-V487 WeakPolarHBondContact O-CB 3.45Å; Y483-V487 VanDerWaalsContact O-CG2 3.26Å; Y483-V487 WeakPolarHBondContact O-CG2 3.41Å; Y483-V487 PolarHBondContact O-N 3.28Å; A484-V487 PolarHBondContact O-N 2.6Å; V487-T489 VanDerWaalsContact C-N 3.27Å; V487-T489 PolarHBondContact O-N 3.4Å; V487-L490 PolarHBondContact O-N 3.43Å; V487-A491 WeakPolarHBondContact O-CB 3.45Å; V487-A491 PolarHBondContact O-N 3.04Å |
| 488 | I | 82.8 | Confident | 79.8 | Confident | 107 Ų | 107 | 51.3 Ų | 51.3 | 55% | 0.549 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 176.1 | -70 | 166.2 | 0 | 0 | 0 | 110.3 | A484 F486 L490 A491 V492 | A484-I488 WeakPolarHBondContact O-CB 3.43Å; A484-I488 WeakPolarHBondContact O-CD1 3.21Å; A484-I488 WeakPolarHBondContact O-CG1 3.25Å; A484-I488 PolarHBondContact O-N 3.33Å; F486-I488 PolarHBondContact O-N 2.68Å; I488-L490 VanDerWaalsContact C-N 3.29Å; I488-L490 PolarHBondContact O-N 3.42Å; I488-A491 PolarHBondContact O-N 2.89Å; I488-V492 HydrophobicContact CG2-CG2 4.32Å; I488-V492 WeakPolarHBondContact O-CG2 3.24Å; I488-V492 PolarHBondContact O-N 3.45Å |
| 489 | T | 77.3 | Confident | 79.6 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 14% | 0.141 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.1 | -32.9 | 179.3 | -58.3 | 0 | 0 | 0 | 0 | 112.7 | I485 F486 V487 P493 L663 A811 | I485-T489 WeakPolarHBondContact O-CB 3.29Å; I485-T489 PolarHBondContact O-N 3.46Å; I485-T489 PolarHBondContact O-OG1 3.26Å; F486-T489 WeakPolarHBondContact O-CB 3.34Å; F486-T489 PolarHBondContact O-N 2.96Å; V487-T489 VanDerWaalsContact C-N 3.27Å; V487-T489 PolarHBondContact O-N 3.4Å; T489-P493 WeakPolarHBondContact O-CD 3.49Å; T489-P493 WeakPolarHBondContact O-CG 3.49Å; T489-L663 HydrophobicContact CG2-CD2 3.34Å; T489-A811 HydrophobicContact CG2-CB 3.82Å; T489-A811 WeakPolarHBondContact OG1-CB 3.41Å |
| 490 | L | 75.6 | Confident | 78.9 | Confident | 34 Ų | 34 | 58.8 Ų | 58.8 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -77.7 | -36.1 | 173.8 | -64.8 | -179.3 | 0 | 0 | 0 | 112.3 | F486 V487 I488 A494 L640 Y814 L818 | F486-L490 HydrophobicContact CD1-CD1 4.45Å; F486-L490 HydrophobicContact CE1-CD1 3.83Å; F486-L490 HydrophobicContact CE2-CD1 3.99Å; F486-L490 HydrophobicContact CE2-CD2 4.37Å; F486-L490 HydrophobicContact CE2-CG 4.17Å; F486-L490 HydrophobicContact CZ-CD1 3.58Å; F486-L490 HydrophobicContact CZ-CG 4.27Å; F486-L490 PolarHBondContact O-N 2.87Å; F486-L490 VanDerWaalsContact O-N 3.12Å; V487-L490 PolarHBondContact O-N 3.43Å; I488-L490 VanDerWaalsContact C-N 3.29Å; I488-L490 PolarHBondContact O-N 3.42Å; L490-A494 PolarHBondContact O-N 3.2Å; L490-L640 HydrophobicContact CD1-CD1 4.26Å; L490-Y814 HydrophobicContact CD2-CD1 3.76Å; L490-Y814 HydrophobicContact CD2-CG 4.35Å; L490-L818 HydrophobicContact CD2-CD1 3.76Å |
| 491 | A | 78.8 | Confident | 78 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V487 I488 A494 M495 | V487-A491 WeakPolarHBondContact O-CB 3.45Å; V487-A491 PolarHBondContact O-N 3.04Å; I488-A491 PolarHBondContact O-N 2.89Å; A491-A494 PolarHBondContact O-N 3.43Å; A491-M495 WeakPolarHBondContact O-CB 3.39Å; A491-M495 VanDerWaalsContact O-CG 3.23Å; A491-M495 WeakPolarHBondContact O-CG 3.49Å; A491-M495 PolarHBondContact O-N 3.19Å |
| 492 | V | 79.6 | Confident | 77.2 | Confident | 69 Ų | 69 | 56 Ų | 56 | 42% | 0.418 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.4 | -51.7 | -176.5 | 168.5 | 0 | 0 | 0 | 0 | 112.7 | I488 A494 M495 I496 | I488-V492 HydrophobicContact CG2-CG2 4.32Å; I488-V492 WeakPolarHBondContact O-CG2 3.24Å; I488-V492 PolarHBondContact O-N 3.45Å; V492-A494 VanDerWaalsContact C-N 3.33Å; V492-A494 PolarHBondContact O-N 2.87Å; V492-M495 PolarHBondContact O-N 3.23Å; V492-I496 HydrophobicContact CG1-CD1 3.8Å; V492-I496 VanDerWaalsContact O-CG1 3.3Å; V492-I496 WeakPolarHBondContact O-CG1 3.22Å; V492-I496 PolarHBondContact O-N 3.09Å |
| 493 | P | 71 | Confident | 76 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.3 | -38.2 | 174.7 | -24.5 | 34.9 | 0 | 0 | 0 | 113.5 | T489 I496 G497 T656 | T489-P493 WeakPolarHBondContact O-CD 3.49Å; T489-P493 WeakPolarHBondContact O-CG 3.49Å; P493-I496 PolarHBondContact O-N 3.1Å; P493-G497 PolarHBondContact O-N 2.91Å; P493-T656 HydrophobicContact CB-CG2 3.85Å |
| 494 | A | 72.6 | Confident | 74.7 | Confident | 27 Ų | 27 | 57.1 Ų | 57.1 | 22% | 0.223 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L490 A491 V492 G497 I498 | L490-A494 PolarHBondContact O-N 3.2Å; A491-A494 PolarHBondContact O-N 3.43Å; V492-A494 VanDerWaalsContact C-N 3.33Å; V492-A494 PolarHBondContact O-N 2.87Å; A494-G497 PolarHBondContact O-N 3.2Å; A494-I498 VanDerWaalsContact O-CG1 3.27Å; A494-I498 WeakPolarHBondContact O-CG1 3.24Å; A494-I498 PolarHBondContact O-N 2.97Å |
| 495 | M | 78.2 | Confident | 73 | Confident | 125 Ų | 125 | 61.1 Ų | 61.1 | 62% | 0.616 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.8 | -42.8 | 177 | -70.9 | -61.3 | -69.4 | 0 | 0 | 112.2 | A491 V492 G497 I498 Y499 | A491-M495 WeakPolarHBondContact O-CB 3.39Å; A491-M495 VanDerWaalsContact O-CG 3.23Å; A491-M495 WeakPolarHBondContact O-CG 3.49Å; A491-M495 PolarHBondContact O-N 3.19Å; V492-M495 PolarHBondContact O-N 3.23Å; M495-G497 VanDerWaalsContact C-N 3.32Å; M495-G497 PolarHBondContact O-N 3.31Å; M495-I498 PolarHBondContact O-N 2.95Å; M495-Y499 WeakPolarHBondContact O-CB 3.38Å; M495-Y499 PolarHBondContact O-N 3.5Å |
| 496 | I | 74.2 | Confident | 71.3 | Confident | 38 Ų | 38 | 60.8 Ų | 60.8 | 20% | 0.195 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 174.2 | -67 | 166.8 | 0 | 0 | 0 | 110 | V492 P493 Y499 Y500 T656 L659 | V492-I496 HydrophobicContact CG1-CD1 3.8Å; V492-I496 VanDerWaalsContact O-CG1 3.3Å; V492-I496 WeakPolarHBondContact O-CG1 3.22Å; V492-I496 PolarHBondContact O-N 3.09Å; P493-I496 PolarHBondContact O-N 3.1Å; I496-Y499 PolarHBondContact O-N 3.18Å; I496-Y500 HydrophobicContact CG2-CD2 3.89Å; I496-Y500 HydrophobicContact CG2-CE2 4.07Å; I496-Y500 WeakPolarHBondContact O-CD2 3.49Å; I496-Y500 PolarHBondContact O-N 2.94Å; I496-T656 HydrophobicContact CB-CG2 3.93Å; I496-T656 HydrophobicContact CD1-CG2 4.22Å; I496-T656 HydrophobicContact CG2-CG2 3.8Å; I496-L659 HydrophobicContact CD1-CD1 3.84Å |
| 497 | G | 68.5 | Low | 70 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.2 | -46 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | P493 A494 M495 G501 G648 | P493-G497 PolarHBondContact O-N 2.91Å; A494-G497 PolarHBondContact O-N 3.2Å; M495-G497 VanDerWaalsContact C-N 3.32Å; M495-G497 PolarHBondContact O-N 3.31Å; G497-G501 PolarHBondContact O-N 3.48Å; G497-G648 WeakPolarHBondContact O-CA 3.33Å |
| 498 | I | 73.2 | Confident | 68.8 | Low | 65 Ų | 65 | 65.6 Ų | 65.6 | 33% | 0.333 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 176.6 | -68.2 | 164.7 | 0 | 0 | 0 | 110.8 | A494 M495 Y500 G501 C502 L647 | A494-I498 VanDerWaalsContact O-CG1 3.27Å; A494-I498 WeakPolarHBondContact O-CG1 3.24Å; A494-I498 PolarHBondContact O-N 2.97Å; M495-I498 PolarHBondContact O-N 2.95Å; I498-Y500 PolarHBondContact O-N 3.18Å; I498-G501 PolarHBondContact O-N 3.19Å; I498-C502 HydrophobicContact CG2-CB 4.49Å; I498-C502 WeakPolarHBondContact O-CB 3.35Å; I498-C502 PolarHBondContact O-N 3.48Å; I498-L647 HydrophobicContact CG1-CD1 4.35Å |
| 499 | Y | 74.8 | Confident | 67.8 | Low | 137 Ų | 137 | 62.5 Ų | 62.5 | 54% | 0.537 | 36% | 0.359 | S | S | . | . | I | π-helix | trans | -58.6 | -51.4 | 178.6 | 175.9 | -98.6 | 0 | 0 | 0 | 111.5 | M495 I496 G501 V503 G504 | M495-Y499 WeakPolarHBondContact O-CB 3.38Å; M495-Y499 PolarHBondContact O-N 3.5Å; I496-Y499 PolarHBondContact O-N 3.18Å; Y499-G501 VanDerWaalsContact C-N 3.31Å; Y499-G501 PolarHBondContact O-N 3.22Å; Y499-V503 HydrophobicContact CD2-CB 4.08Å; Y499-V503 HydrophobicContact CD2-CG1 4.31Å; Y499-V503 HydrophobicContact CE2-CB 4.26Å; Y499-V503 HydrophobicContact CE2-CG1 4.02Å; Y499-V503 CarbonylContact O-C 3.32Å; Y499-V503 WeakPolarHBondContact O-CA 3.37Å; Y499-V503 WeakPolarHBondContact O-CB 3.48Å; Y499-V503 PolarHBondContact O-N 3.36Å; Y499-G504 PolarHBondContact O-N 3.17Å |
| 500 | Y | 67.6 | Low | 67 | Low | 78 Ų | 78 | 62.3 Ų | 62.3 | 31% | 0.306 | 36% | 0.358 | S | S | . | . | I | π-helix | trans | -69.1 | -27.5 | 178.3 | -85.3 | -80.9 | 0 | 0 | 0 | 113.6 | I496 I498 A652 | I496-Y500 HydrophobicContact CG2-CD2 3.89Å; I496-Y500 HydrophobicContact CG2-CE2 4.07Å; I496-Y500 WeakPolarHBondContact O-CD2 3.49Å; I496-Y500 PolarHBondContact O-N 2.94Å; I498-Y500 PolarHBondContact O-N 3.18Å; Y500-A652 HydrophobicContact CD2-CB 4.04Å; Y500-A652 HydrophobicContact CG-CB 4.11Å |
| 501 | G | 65.9 | Low | 66.5 | Low | 24 Ų | 24 | 65.1 Ų | 65.1 | 25% | 0.247 | 37% | 0.366 | C | S | . | . | I | π-helix | trans | -82.5 | -38.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G497 I498 Y499 L647 | G497-G501 PolarHBondContact O-N 3.48Å; I498-G501 PolarHBondContact O-N 3.19Å; Y499-G501 VanDerWaalsContact C-N 3.31Å; Y499-G501 PolarHBondContact O-N 3.22Å; G501-L647 WeakPolarHBondContact CA-O 3.48Å |
| 502 | C | 69.8 | Low | 65.8 | Low | 95 Ų | 95 | 65.3 Ų | 65.3 | 64% | 0.642 | 36% | 0.361 | S | S | * | . | I | π-helix | trans | -107 | -31.8 | -172.8 | -61.6 | 0 | 0 | 0 | 0 | 113.7 | I498 | I498-C502 HydrophobicContact CG2-CB 4.49Å; I498-C502 WeakPolarHBondContact O-CB 3.35Å; I498-C502 PolarHBondContact O-N 3.48Å |
| 503 | V | 62.3 | Low | 65 | Low | 97 Ų | 97 | 62.3 Ų | 62.3 | 59% | 0.588 | 34% | 0.343 | S | S | * | . | I | π-helix | trans | -110.1 | -30 | -173.7 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | Y499 T505 | Y499-V503 HydrophobicContact CD2-CB 4.08Å; Y499-V503 HydrophobicContact CD2-CG1 4.31Å; Y499-V503 HydrophobicContact CE2-CB 4.26Å; Y499-V503 HydrophobicContact CE2-CG1 4.02Å; Y499-V503 CarbonylContact O-C 3.32Å; Y499-V503 WeakPolarHBondContact O-CA 3.37Å; Y499-V503 WeakPolarHBondContact O-CB 3.48Å; Y499-V503 PolarHBondContact O-N 3.36Å; V503-T505 PolarHBondContact O-N 3.27Å |
| 504 | G | 56.9 | Low | 64.5 | Low | 25 Ų | 25 | 62.2 Ų | 62.2 | 26% | 0.258 | 34% | 0.342 | S | S | . | . | trans | -67.5 | 125.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y499 G506 | Y499-G504 PolarHBondContact O-N 3.17Å; G504-G506 PolarHBondContact O-N 3.03Å; G504-G506 VanDerWaalsContact O-N 3.09Å | ||
| 505 | T | 50.6 | Low | 64 | Low | 132 Ų | 132 | 61.1 Ų | 61.1 | 81% | 0.81 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 3.7 | -179.2 | 53.3 | 0 | 0 | 0 | 0 | 115 | V503 | V503-T505 PolarHBondContact O-N 3.27Š|
| 506 | G | 52.1 | Low | 63.4 | Low | 44 Ų | 44 | 55.6 Ų | 55.6 | 45% | 0.454 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -7.4 | -163.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | G504 K508 D512 | G504-G506 PolarHBondContact O-N 3.03Å; G504-G506 VanDerWaalsContact O-N 3.09Å; G506-K508 PolarHBondContact O-N 3.39Å; G506-D512 WeakPolarHBondContact O-CB 3.42Å |
| 507 | Q | 55.1 | Low | 62.9 | Low | 41 Ų | 41 | 55.8 Ų | 55.8 | 19% | 0.192 | 31% | 0.312 | C | S | . | . | trans | -99.9 | 55.4 | -174.3 | -65.5 | -167.6 | 7.3 | 0 | 0 | 113.5 | V513 G648 | Q507-V513 HydrophobicContact CB-CG2 3.92Å; Q507-V513 HydrophobicContact CG-CG2 4.16Å; Q507-G648 VanDerWaalsContact NE2-C 3.33Å; Q507-G648 PolarHBondContact NE2-O 3.28Å | ||
| 508 | K | 57.3 | Low | 62.6 | Low | 164 Ų | 164 | 59.4 Ų | 59.4 | 71% | 0.713 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -86.5 | -23.3 | -179.2 | -67 | -172.7 | -178.4 | -177 | 0 | 113.5 | G506 | G506-K508 PolarHBondContact O-N 3.39Š|
| 509 | T | 62.8 | Low | 62.3 | Low | 43 Ų | 43 | 65.4 Ų | 65.4 | 26% | 0.264 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -126.9 | 153 | -177.6 | 76.5 | 0 | 0 | 0 | 0 | 112.7 | R511 D512 V513 | T509-R511 PolarHBondContact O-N 2.87Å; T509-D512 WeakPolarHBondContact CB-OD2 3.41Å; T509-D512 PolarHBondContact N-OD2 3.37Å; T509-D512 WeakPolarHBondContact O-CB 3.46Å; T509-D512 PolarHBondContact O-N 3.01Å; T509-D512 PolarHBondContact OG1-N 2.78Å; T509-D512 PolarHBondContact OG1-OD2 3.25Å; T509-V513 PolarHBondContact O-N 3.39Å |
| 510 | S | 59.3 | Low | 62.1 | Low | 19 Ų | 19 | 59.9 Ų | 59.9 | 13% | 0.133 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56 | -31.8 | 173.2 | 53.7 | 0 | 0 | 0 | 0 | 113.2 | V513 L514 S854 | S510-V513 PolarHBondContact O-N 2.87Å; S510-L514 VanDerWaalsContact O-CB 3.28Å; S510-L514 WeakPolarHBondContact O-CB 3.2Å; S510-L514 VanDerWaalsContact O-CG 3.29Å; S510-L514 WeakPolarHBondContact O-CG 3.16Å; S510-L514 PolarHBondContact O-N 3.44Å; S510-S854 WeakPolarHBondContact CB-OG 3.42Å; S510-S854 PolarHBondContact OG-OG 3.43Å |
| 511 | R | 65.6 | Low | 62.8 | Low | 93 Ų | 93 | 58 Ų | 58 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 173.7 | -171.9 | 170.7 | 177.2 | 96.7 | 8.1 | 111.4 | T509 V513 L514 L515 G516 K579 | T509-R511 PolarHBondContact O-N 2.87Å; R511-V513 VanDerWaalsContact C-N 3.34Å; R511-L514 PolarHBondContact O-N 3.39Å; R511-L515 HydrophobicContact CG-CB 4.36Å; R511-L515 HydrophobicContact CG-CD1 4.11Å; R511-L515 WeakPolarHBondContact O-CA 3.32Å; R511-L515 WeakPolarHBondContact O-CB 3.24Å; R511-L515 PolarHBondContact O-N 2.98Å; R511-G516 PolarHBondContact O-N 3.23Å; R511-K579 PolarHBondContact NH1-O 3.3Å |
| 512 | D | 65.7 | Low | 63.9 | Low | 47 Ų | 47 | 58.3 Ų | 58.3 | 25% | 0.251 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.8 | -35.6 | 176.9 | -55.1 | -42.5 | 0 | 0 | 0 | 112 | G506 T509 G516 | G506-D512 WeakPolarHBondContact O-CB 3.42Å; T509-D512 WeakPolarHBondContact CB-OD2 3.41Å; T509-D512 PolarHBondContact N-OD2 3.37Å; T509-D512 WeakPolarHBondContact O-CB 3.46Å; T509-D512 PolarHBondContact O-N 3.01Å; T509-D512 PolarHBondContact OG1-N 2.78Å; T509-D512 PolarHBondContact OG1-OD2 3.25Å; D512-G516 WeakPolarHBondContact O-CA 3.15Å; D512-G516 PolarHBondContact O-N 3.28Å |
| 513 | V | 61.6 | Low | 64.8 | Low | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.7 | -37.2 | 178.2 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | Q507 T509 S510 R511 S650 A855 | Q507-V513 HydrophobicContact CB-CG2 3.92Å; Q507-V513 HydrophobicContact CG-CG2 4.16Å; T509-V513 PolarHBondContact O-N 3.39Å; S510-V513 PolarHBondContact O-N 2.87Å; R511-V513 VanDerWaalsContact C-N 3.34Å; V513-S650 WeakPolarHBondContact O-CB 3.32Å; V513-S650 PolarHBondContact O-N 2.82Å; V513-S650 PolarHBondContact O-OG 2.77Å; V513-A855 HydrophobicContact CG2-CB 4.11Å |
| 514 | L | 60.5 | Low | 65.9 | Low | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -98.8 | -43.9 | -172.2 | -65.8 | 174.7 | 0 | 0 | 0 | 113.8 | S510 R511 I581 S650 A830 L833 | S510-L514 VanDerWaalsContact O-CB 3.28Å; S510-L514 WeakPolarHBondContact O-CB 3.2Å; S510-L514 VanDerWaalsContact O-CG 3.29Å; S510-L514 WeakPolarHBondContact O-CG 3.16Å; S510-L514 PolarHBondContact O-N 3.44Å; R511-L514 PolarHBondContact O-N 3.39Å; L514-I581 HydrophobicContact CD1-CG2 4.18Å; L514-S650 VanDerWaalsContact C-OG 3.32Å; L514-S650 WeakPolarHBondContact O-CB 3.42Å; L514-S650 PolarHBondContact O-OG 3.35Å; L514-A830 HydrophobicContact CD1-CB 4.1Å; L514-A830 HydrophobicContact CD2-CB 4.11Å; L514-A830 HydrophobicContact CG-CB 4.49Å; L514-L833 HydrophobicContact CD1-CD2 3.62Å |
| 515 | L | 63 | Low | 67.3 | Low | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -13.3 | -177.8 | -63.7 | -177.2 | 0 | 0 | 0 | 112.9 | R511 I581 Q733 S737 | R511-L515 HydrophobicContact CG-CB 4.36Å; R511-L515 HydrophobicContact CG-CD1 4.11Å; R511-L515 WeakPolarHBondContact O-CA 3.32Å; R511-L515 WeakPolarHBondContact O-CB 3.24Å; R511-L515 PolarHBondContact O-N 2.98Å; L515-I581 HydrophobicContact CD1-CG1 4.02Å; L515-Q733 HydrophobicContact CD2-CB 4.1Å; L515-S737 WeakPolarHBondContact O-CB 3.34Å |
| 516 | G | 63.9 | Low | 69.2 | Low | 9 Ų | 9 | 47.8 Ų | 47.8 | 9% | 0.093 | 27% | 0.266 | C | S | . | . | trans | 75.4 | 179.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R511 D512 S650 N651 | R511-G516 PolarHBondContact O-N 3.23Å; D512-G516 WeakPolarHBondContact O-CA 3.15Å; D512-G516 PolarHBondContact O-N 3.28Å; G516-S650 VanDerWaalsContact CA-OG 3.29Å; G516-S650 WeakPolarHBondContact CA-OG 3.49Å; G516-S650 PolarHBondContact N-OG 3.44Å; G516-N651 WeakPolarHBondContact CA-OD1 3.41Å | ||
| 517 | S | 64 | Low | 71 | Confident | 42 Ų | 42 | 46.6 Ų | 46.6 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | trans | -85.9 | 142.7 | 179.9 | 76.8 | 0 | 0 | 0 | 0 | 110.5 | K519 N651 | S517-K519 PolarHBondContact O-N 3.45Å; S517-N651 PolarHBondContact N-ND2 3.24Å; S517-N651 PolarHBondContact N-OD1 2.62Å | ||
| 518 | S | 62.8 | Low | 72.6 | Confident | 76 Ų | 76 | 44.6 Ų | 44.6 | 53% | 0.531 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 18.9 | 178.1 | 61.3 | 0 | 0 | 0 | 0 | 114.6 | S737 A739 | S518-S737 WeakPolarHBondContact CA-O 3.46Å; S518-A739 WeakPolarHBondContact O-CB 3.44Å |
| 519 | K | 67.7 | Low | 74.1 | Confident | 191 Ų | 191 | 36.8 Ų | 36.8 | 83% | 0.83 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 2.2 | -175.7 | -63.6 | -173.6 | 178.7 | -177.2 | 0 | 113.4 | S517 | S517-K519 PolarHBondContact O-N 3.45Š|
| 520 | L | 70.7 | Confident | 75.4 | Confident | 21 Ų | 21 | 34.8 Ų | 34.8 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | trans | -73.9 | 139.3 | -177.8 | -63.1 | 172 | 0 | 0 | 0 | 111.7 | V525 V654 | L520-V525 HydrophobicContact CB-CG2 3.57Å; L520-V525 HydrophobicContact CD1-CG2 4.25Å; L520-V654 HydrophobicContact CD1-CB 4.31Å; L520-V654 HydrophobicContact CD1-CG1 4.19Å; L520-V654 HydrophobicContact CD1-CG2 4.15Å | ||
| 521 | G | 80.8 | Confident | 76.6 | Confident | 38 Ų | 38 | 33.9 Ų | 33.9 | 39% | 0.392 | 19% | 0.187 | S | C | . | . | trans | -72.3 | 155.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I523 P524 V525 | G521-I523 PolarHBondContact O-N 2.86Å; G521-P524 WeakPolarHBondContact O-CD 3.49Å; G521-V525 VanDerWaalsContact O-CG2 3.23Å; G521-V525 WeakPolarHBondContact O-CG2 3.45Å; G521-V525 PolarHBondContact O-N 3.02Å | ||
| 522 | V | 88.9 | Confident | 77.6 | Confident | 31 Ų | 31 | 29.4 Ų | 29.4 | 19% | 0.188 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.6 | -45.1 | -177.2 | 175.9 | 0 | 0 | 0 | 0 | 112.3 | A526 M738 N743 K746 M747 | V522-A526 WeakPolarHBondContact O-CB 3.27Å; V522-A526 PolarHBondContact O-N 3.45Å; V522-M738 HydrophobicContact CB-CE 4.31Å; V522-M738 HydrophobicContact CG2-CE 3.7Å; V522-N743 HydrophobicContact CG2-CB 4.05Å; V522-K746 HydrophobicContact CG1-CB 4.14Å; V522-M747 HydrophobicContact CG1-CB 3.99Å |
| 523 | I | 88.5 | Confident | 78.5 | Confident | 100 Ų | 100 | 28.3 Ų | 28.3 | 51% | 0.513 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -70.1 | -50.3 | -173.6 | -61.2 | 172.3 | 0 | 0 | 0 | 112.2 | G521 V525 A526 L527 | G521-I523 PolarHBondContact O-N 2.86Å; I523-V525 VanDerWaalsContact C-N 3.27Å; I523-V525 PolarHBondContact O-N 3.18Å; I523-A526 PolarHBondContact O-N 3.13Å; I523-A526 VanDerWaalsContact O-N 3.15Å; I523-L527 HydrophobicContact CG2-CD1 4.09Å; I523-L527 HydrophobicContact CG2-CG 4.46Å; I523-L527 PolarHBondContact O-N 2.95Å |
| 524 | P | 85.9 | Confident | 79.3 | Confident | 27 Ų | 27 | 29.1 Ų | 29.1 | 18% | 0.175 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.9 | -39.6 | 176.9 | -26.1 | 34.4 | 0 | 0 | 0 | 112.8 | G521 A528 W655 A658 | G521-P524 WeakPolarHBondContact O-CD 3.49Å; P524-A528 WeakPolarHBondContact O-CB 3.48Å; P524-A528 PolarHBondContact O-N 2.67Å; P524-W655 HydrophobicContact CB-CE3 4.36Å; P524-W655 HydrophobicContact CB-CH2 4.09Å; P524-W655 HydrophobicContact CB-CZ3 3.99Å; P524-W655 HydrophobicContact CG-CH2 3.72Å; P524-W655 HydrophobicContact CG-CZ2 4.39Å; P524-W655 HydrophobicContact CG-CZ3 3.92Å; P524-A658 HydrophobicContact CB-CB 4.49Å |
| 525 | V | 87.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.6 | -36.9 | 178.8 | -173.7 | 0 | 0 | 0 | 0 | 111.1 | L520 G521 I523 A528 L529 V654 R734 M738 M747 | L520-V525 HydrophobicContact CB-CG2 3.57Å; L520-V525 HydrophobicContact CD1-CG2 4.25Å; G521-V525 VanDerWaalsContact O-CG2 3.23Å; G521-V525 WeakPolarHBondContact O-CG2 3.45Å; G521-V525 PolarHBondContact O-N 3.02Å; I523-V525 VanDerWaalsContact C-N 3.27Å; I523-V525 PolarHBondContact O-N 3.18Å; V525-A528 PolarHBondContact O-N 2.72Å; V525-L529 WeakPolarHBondContact O-CB 3.31Å; V525-L529 PolarHBondContact O-N 3.38Å; V525-V654 HydrophobicContact CG2-CG1 4.07Å; V525-R734 HydrophobicContact CG1-CB 4.07Å; V525-M738 HydrophobicContact CB-SD 3.96Å; V525-M738 HydrophobicContact CG1-SD 4Å; V525-M738 HydrophobicContact CG2-SD 3.86Å; V525-M747 HydrophobicContact CB-CG 4.14Å; V525-M747 HydrophobicContact CB-SD 4.22Å; V525-M747 HydrophobicContact CG1-CG 4.09Å; V525-M747 HydrophobicContact CG1-SD 3.51Å; V525-M747 VanDerWaalsContact CG1-SD 3.51Å |
| 526 | A | 90.8 | Very high | 81.7 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -49.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V522 I523 A528 L529 I530 M747 W750 | V522-A526 WeakPolarHBondContact O-CB 3.27Å; V522-A526 PolarHBondContact O-N 3.45Å; I523-A526 PolarHBondContact O-N 3.13Å; I523-A526 VanDerWaalsContact O-N 3.15Å; A526-A528 VanDerWaalsContact C-N 3.26Å; A526-A528 PolarHBondContact O-N 2.99Å; A526-L529 WeakPolarHBondContact O-CB 3.32Å; A526-L529 PolarHBondContact O-N 3.41Å; A526-I530 WeakPolarHBondContact O-CG1 3.08Å; A526-I530 PolarHBondContact O-N 3.16Å; A526-I530 VanDerWaalsContact O-N 3.13Å; A526-M747 HydrophobicContact CB-CG 3.89Å; A526-W750 HydrophobicContact CB-CB 3.79Å |
| 527 | L | 89.5 | Confident | 82.8 | Confident | 19 Ų | 19 | 28.4 Ų | 28.4 | 10% | 0.099 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.7 | -42.3 | 174.6 | -73.6 | 169.6 | 0 | 0 | 0 | 111.5 | I523 L529 I530 G531 A658 V661 L662 L754 | I523-L527 HydrophobicContact CG2-CD1 4.09Å; I523-L527 HydrophobicContact CG2-CG 4.46Å; I523-L527 PolarHBondContact O-N 2.95Å; L527-L529 VanDerWaalsContact C-N 3.35Å; L527-L529 PolarHBondContact O-N 2.88Å; L527-I530 WeakPolarHBondContact O-CB 3.04Å; L527-I530 PolarHBondContact O-N 3.05Å; L527-G531 PolarHBondContact O-N 3.28Å; L527-G531 VanDerWaalsContact O-N 3.07Å; L527-A658 HydrophobicContact CB-CB 4.02Å; L527-V661 HydrophobicContact CD2-CG1 4.1Å; L527-V661 VanDerWaalsContact O-CG2 3.31Å; L527-V661 WeakPolarHBondContact O-CG2 3.31Å; L527-L662 HydrophobicContact CD1-CD2 4.21Å; L527-L662 HydrophobicContact CD1-CG 4.32Å; L527-L662 HydrophobicContact CD2-CD2 4.32Å; L527-L754 HydrophobicContact CD2-CD1 4.13Å; L527-L754 HydrophobicContact CD2-CD2 4.33Å |
| 528 | A | 87.9 | Confident | 84 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.7 | -31.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P524 V525 A526 I530 G531 T532 V654 A658 R734 | P524-A528 WeakPolarHBondContact O-CB 3.48Å; P524-A528 PolarHBondContact O-N 2.67Å; V525-A528 PolarHBondContact O-N 2.72Å; A526-A528 VanDerWaalsContact C-N 3.26Å; A526-A528 PolarHBondContact O-N 2.99Å; A528-I530 VanDerWaalsContact C-N 3.35Å; A528-G531 PolarHBondContact O-N 2.98Å; A528-T532 PolarHBondContact O-N 3.18Å; A528-T532 PolarHBondContact O-OG1 3.46Å; A528-V654 HydrophobicContact CB-CB 4.43Å; A528-V654 HydrophobicContact CB-CG1 3.86Å; A528-V654 WeakPolarHBondContact CB-O 3.18Å; A528-A658 HydrophobicContact CB-CB 4.3Å; A528-R734 VanDerWaalsContact C-CZ 3.43Å; A528-R734 VanDerWaalsContact C-NH1 3.26Å; A528-R734 PolarHBondContact O-NH1 3.27Å; A528-R734 PolarHBondContact O-NH2 3.11Å; A528-R734 VanDerWaalsContact O-NH2 3.1Å |
| 529 | L | 89.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.2 | -39.6 | 172.2 | -180 | 63.8 | 0 | 0 | 0 | 111.4 | V525 A526 L527 T532 Y533 F725 Y735 M747 | V525-L529 WeakPolarHBondContact O-CB 3.31Å; V525-L529 PolarHBondContact O-N 3.38Å; A526-L529 WeakPolarHBondContact O-CB 3.32Å; A526-L529 PolarHBondContact O-N 3.41Å; L527-L529 VanDerWaalsContact C-N 3.35Å; L527-L529 PolarHBondContact O-N 2.88Å; L529-T532 WeakPolarHBondContact O-CB 2.98Å; L529-T532 PolarHBondContact O-N 2.86Å; L529-T532 VanDerWaalsContact O-N 3.11Å; L529-Y533 HydrophobicContact CD1-CD2 4.47Å; L529-Y533 HydrophobicContact CD1-CE2 4.14Å; L529-F725 HydrophobicContact CD1-CE1 4.19Å; L529-F725 HydrophobicContact CD2-CD1 4.1Å; L529-F725 HydrophobicContact CD2-CE1 3.73Å; L529-F725 HydrophobicContact CG-CD1 4.5Å; L529-F725 HydrophobicContact CG-CE1 3.83Å; L529-Y735 HydrophobicContact CD1-CE1 4.14Å; L529-Y735 HydrophobicContact CD2-CE1 3.66Å; L529-M747 HydrophobicContact CD2-CE 3.41Å; L529-M747 VanDerWaalsContact CD2-CE 3.41Å; L529-M747 HydrophobicContact CD2-SD 4.26Å |
| 530 | I | 89.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.4 | -47.9 | 174 | -66.2 | 172.2 | 0 | 0 | 0 | 110.2 | A526 L527 A528 T532 Y533 T534 V661 N751 L754 D755 | A526-I530 WeakPolarHBondContact O-CG1 3.08Å; A526-I530 PolarHBondContact O-N 3.16Å; A526-I530 VanDerWaalsContact O-N 3.13Å; L527-I530 WeakPolarHBondContact O-CB 3.04Å; L527-I530 PolarHBondContact O-N 3.05Å; A528-I530 VanDerWaalsContact C-N 3.35Å; I530-T532 PolarHBondContact O-N 3.43Å; I530-Y533 PolarHBondContact O-N 3.33Å; I530-T534 VanDerWaalsContact O-CB 3.28Å; I530-T534 WeakPolarHBondContact O-CB 3.23Å; I530-T534 PolarHBondContact O-N 3.12Å; I530-T534 PolarHBondContact O-OG1 3Å; I530-V661 HydrophobicContact CG2-CG1 4.15Å; I530-V661 HydrophobicContact CG2-CG2 4.37Å; I530-N751 HydrophobicContact CG1-CB 4.46Å; I530-N751 WeakPolarHBondContact CG1-OD1 3.46Å; I530-L754 HydrophobicContact CD1-CB 3.02Å; I530-L754 HydrophobicContact CD1-CD1 3.51Å; I530-L754 HydrophobicContact CD1-CG 3.87Å; I530-L754 HydrophobicContact CG1-CB 4.43Å; I530-D755 WeakPolarHBondContact CG1-OD1 3.42Å; I530-D755 VanDerWaalsContact CG2-OD1 3.3Å; I530-D755 WeakPolarHBondContact CG2-OD1 3.46Å |
| 531 | G | 84.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.7 | -16.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | L527 A528 V661 S819 T820 | L527-G531 PolarHBondContact O-N 3.28Å; L527-G531 VanDerWaalsContact O-N 3.07Å; A528-G531 PolarHBondContact O-N 2.98Å; G531-V661 VanDerWaalsContact N-CG2 3.3Å; G531-S819 WeakPolarHBondContact CA-OG 3.4Å; G531-S819 VanDerWaalsContact O-CB 3.31Å; G531-S819 WeakPolarHBondContact O-CB 3.47Å; G531-S819 PolarHBondContact O-OG 3.23Å; G531-T820 PolarHBondContact O-OG1 2.86Å |
| 532 | T | 87.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -74.2 | -32.3 | 174.8 | -56.5 | 0 | 0 | 0 | 0 | 112.3 | A528 L529 I530 M730 R734 T820 S823 | A528-T532 PolarHBondContact O-N 3.18Å; A528-T532 PolarHBondContact O-OG1 3.46Å; L529-T532 WeakPolarHBondContact O-CB 2.98Å; L529-T532 PolarHBondContact O-N 2.86Å; L529-T532 VanDerWaalsContact O-N 3.11Å; I530-T532 PolarHBondContact O-N 3.43Å; T532-M730 HydrophobicContact CG2-CB 3.53Å; T532-M730 HydrophobicContact CG2-CG 4.45Å; T532-M730 HydrophobicContact CG2-SD 4.22Å; T532-R734 PolarHBondContact OG1-NE 3.44Å; T532-R734 PolarHBondContact OG1-NH2 3.42Å; T532-T820 WeakPolarHBondContact O-CG2 3.31Å; T532-T820 PolarHBondContact O-OG1 3.1Å; T532-S823 PolarHBondContact OG1-OG 2.94Å |
| 533 | Y | 84.1 | Confident | 88.1 | Confident | 24 Ų | 24 | 11.3 Ų | 11.3 | 9% | 0.094 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -111.9 | -28.1 | -177.3 | -67.4 | -62.3 | 0 | 0 | 0 | 113.2 | L529 I530 S535 Q724 F725 M730 G731 F891 | L529-Y533 HydrophobicContact CD1-CD2 4.47Å; L529-Y533 HydrophobicContact CD1-CE2 4.14Å; I530-Y533 PolarHBondContact O-N 3.33Å; Y533-S535 VanDerWaalsContact C-N 3.28Å; Y533-S535 PolarHBondContact O-N 3.47Å; Y533-Q724 HydrophobicContact CD1-CB 4.14Å; Y533-Q724 HydrophobicContact CD1-CG 4.15Å; Y533-Q724 HydrophobicContact CE1-CB 3.82Å; Y533-Q724 HydrophobicContact CE1-CG 4.04Å; Y533-Q724 HydrophobicContact CE2-CB 4.41Å; Y533-Q724 PolarHBondContact OH-O 2.99Å; Y533-F725 HydrophobicContact CD2-CD2 4.35Å; Y533-F725 HydrophobicContact CD2-CE1 4.11Å; Y533-F725 AromaticContact CD2-CE2 3.65Å; Y533-F725 HydrophobicContact CD2-CE2 3.65Å; Y533-F725 AromaticContact CD2-CZ 3.52Å; Y533-F725 HydrophobicContact CD2-CZ 3.52Å; Y533-F725 HydrophobicContact CE2-CD2 4.29Å; Y533-F725 HydrophobicContact CE2-CE1 4.29Å; Y533-F725 HydrophobicContact CE2-CE2 4.04Å; Y533-F725 HydrophobicContact CE2-CZ 4.05Å; Y533-F725 HydrophobicContact CG-CE2 4.25Å; Y533-F725 HydrophobicContact CG-CZ 4.37Å; Y533-M730 HydrophobicContact CD1-CE 4.37Å; Y533-M730 HydrophobicContact CE1-CE 3.65Å; Y533-G731 PolarHBondContact OH-N 2.92Å; Y533-G731 VanDerWaalsContact OH-N 3.13Å; Y533-F891 HydrophobicContact CE1-CZ 4.37Å |
| 534 | T | 78.7 | Confident | 88.3 | Confident | 23 Ų | 23 | 6.5 Ų | 6.5 | 14% | 0.141 | 4% | 0.036 | C | C | . | . | S | Bend | trans | -82.1 | 75.9 | 169.6 | -57.9 | 0 | 0 | 0 | 0 | 109.2 | I530 C758 | I530-T534 VanDerWaalsContact O-CB 3.28Å; I530-T534 WeakPolarHBondContact O-CB 3.23Å; I530-T534 PolarHBondContact O-N 3.12Å; I530-T534 PolarHBondContact O-OG1 3Å; T534-C758 HydrophobicContact CG2-CB 4.44Å |
| 535 | S | 86 | Confident | 88.5 | Confident | 2 Ų | 2 | 5.3 Ų | 5.3 | 1% | 0.014 | 3% | 0.028 | C | C | . | . | trans | -89.2 | 175.5 | -177.7 | 73.9 | 0 | 0 | 0 | 0 | 112.4 | Y533 V537 G538 L539 T820 | Y533-S535 VanDerWaalsContact C-N 3.28Å; Y533-S535 PolarHBondContact O-N 3.47Å; S535-V537 PolarHBondContact O-N 3.37Å; S535-V537 VanDerWaalsContact O-N 3.08Å; S535-V537 VanDerWaalsContact OG-CB 3.27Å; S535-V537 WeakPolarHBondContact OG-CB 3.27Å; S535-V537 PolarHBondContact OG-N 2.71Å; S535-G538 PolarHBondContact O-N 3.29Å; S535-L539 PolarHBondContact O-N 3.3Å; S535-T820 WeakPolarHBondContact CA-OG1 3.18Å; S535-T820 WeakPolarHBondContact CB-OG1 3.25Å | ||
| 536 | A | 87.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -53.4 | -26.2 | 169 | 0 | 0 | 0 | 0 | 0 | 113.1 | L540 A617 P618 I813 | A536-L540 PolarHBondContact O-N 3.35Å; A536-A617 HydrophobicContact CB-CB 3.66Å; A536-P618 HydrophobicContact CB-CB 4.37Å; A536-P618 HydrophobicContact CB-CG 4.38Å; A536-I813 HydrophobicContact CB-CG2 3.81Å |
| 537 | V | 87.1 | Confident | 88.9 | Confident | 2 Ų | 2 | 5.3 Ų | 5.3 | 1% | 0.012 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -63.9 | -45.2 | 174.8 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | S535 G541 V613 V614 A617 I883 I884 A887 | S535-V537 PolarHBondContact O-N 3.37Å; S535-V537 VanDerWaalsContact O-N 3.08Å; S535-V537 VanDerWaalsContact OG-CB 3.27Å; S535-V537 WeakPolarHBondContact OG-CB 3.27Å; S535-V537 PolarHBondContact OG-N 2.71Å; V537-G541 VanDerWaalsContact O-CA 3.3Å; V537-G541 WeakPolarHBondContact O-CA 3.44Å; V537-G541 PolarHBondContact O-N 3.33Å; V537-V613 HydrophobicContact CG2-CG1 4.23Å; V537-V614 HydrophobicContact CG2-CB 4.43Å; V537-V614 HydrophobicContact CG2-CG2 3.94Å; V537-A617 HydrophobicContact CG2-CB 4.15Å; V537-I883 HydrophobicContact CB-CG2 3.97Å; V537-I883 HydrophobicContact CG1-CB 4.25Å; V537-I883 HydrophobicContact CG1-CG2 3.55Å; V537-I883 HydrophobicContact CG2-CG2 3.63Å; V537-I884 HydrophobicContact CG1-CB 4.2Å; V537-I884 HydrophobicContact CG1-CG1 4.49Å; V537-A887 HydrophobicContact CG1-CB 3.74Å |
| 538 | G | 90 | Very high | 88.9 | Confident | 8 Ų | 8 | 4.7 Ų | 4.7 | 8% | 0.082 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -67.3 | -44.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S535 L540 G541 Y542 | S535-G538 PolarHBondContact O-N 3.29Å; G538-L540 VanDerWaalsContact C-N 3.31Å; G538-L540 PolarHBondContact O-N 3.3Å; G538-G541 PolarHBondContact O-N 3.39Å; G538-Y542 WeakPolarHBondContact O-CB 3.18Å; G538-Y542 VanDerWaalsContact O-CD2 3.25Å; G538-Y542 WeakPolarHBondContact O-CD2 3.38Å; G538-Y542 PolarHBondContact O-N 3.37Å |
| 539 | L | 90.4 | Very high | 88.9 | Confident | 5 Ų | 5 | 6.4 Ų | 6.4 | 3% | 0.026 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -62.2 | -34 | -176.7 | -174.4 | 56.5 | 0 | 0 | 0 | 113.2 | S535 P543 V664 L762 I813 A816 | S535-L539 PolarHBondContact O-N 3.3Å; L539-P543 WeakPolarHBondContact O-CD 3.31Å; L539-P543 WeakPolarHBondContact O-CG 3.17Å; L539-V664 HydrophobicContact CD1-CG1 4.33Å; L539-V664 HydrophobicContact CD2-CG1 4.28Å; L539-L762 HydrophobicContact CD1-CD2 3.29Å; L539-L762 HydrophobicContact CG-CD2 4.47Å; L539-I813 HydrophobicContact CD2-CB 4.16Å; L539-I813 HydrophobicContact CD2-CG1 3.43Å; L539-I813 VanDerWaalsContact CD2-CG1 3.43Å; L539-I813 HydrophobicContact CG-CG1 3.93Å; L539-A816 HydrophobicContact CD2-CB 4.48Å |
| 540 | L | 90.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -88.3 | -38.6 | 172.4 | -67.9 | 176.9 | 0 | 0 | 0 | 112.9 | A536 G538 S544 A617 A621 P792 F809 I813 | A536-L540 PolarHBondContact O-N 3.35Å; G538-L540 VanDerWaalsContact C-N 3.31Å; G538-L540 PolarHBondContact O-N 3.3Å; L540-S544 WeakPolarHBondContact O-CB 3.45Å; L540-S544 PolarHBondContact O-N 3.42Å; L540-A617 HydrophobicContact CD1-CB 4.3Å; L540-A617 WeakPolarHBondContact CD1-O 3.2Å; L540-A621 HydrophobicContact CD1-CB 4.31Å; L540-P792 HydrophobicContact CD2-CG 3.82Å; L540-F809 HydrophobicContact CD2-CZ 4.45Å; L540-I813 HydrophobicContact CD2-CD1 3.64Å; L540-I813 HydrophobicContact CG-CD1 4.2Å |
| 541 | G | 89.4 | Confident | 89 | Confident | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -78.1 | -40.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V537 G538 S544 E545 | V537-G541 VanDerWaalsContact O-CA 3.3Å; V537-G541 WeakPolarHBondContact O-CA 3.44Å; V537-G541 PolarHBondContact O-N 3.33Å; G538-G541 PolarHBondContact O-N 3.39Å; G541-S544 PolarHBondContact O-N 2.75Å; G541-E545 WeakPolarHBondContact O-CB 3.3Å; G541-E545 PolarHBondContact O-N 2.96Å |
| 542 | Y | 92.4 | Very high | 89.3 | Confident | 27 Ų | 27 | 7.4 Ų | 7.4 | 11% | 0.106 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -64 | -48.2 | 178.6 | -75.5 | -66.9 | 0 | 0 | 0 | 112.4 | G538 S544 E545 V546 L553 L759 L762 I884 | G538-Y542 WeakPolarHBondContact O-CB 3.18Å; G538-Y542 VanDerWaalsContact O-CD2 3.25Å; G538-Y542 WeakPolarHBondContact O-CD2 3.38Å; G538-Y542 PolarHBondContact O-N 3.37Å; Y542-S544 VanDerWaalsContact C-N 3.31Å; Y542-S544 PolarHBondContact O-N 3.21Å; Y542-E545 PolarHBondContact O-N 3.48Å; Y542-V546 PolarHBondContact O-N 3.05Å; Y542-V546 VanDerWaalsContact O-N 3.07Å; Y542-L553 HydrophobicContact CD1-CD1 3.92Å; Y542-L553 HydrophobicContact CE1-CB 4.45Å; Y542-L553 HydrophobicContact CE1-CD1 3.92Å; Y542-L759 HydrophobicContact CD1-CD1 3.72Å; Y542-L759 HydrophobicContact CD2-CD1 4.36Å; Y542-L759 HydrophobicContact CE1-CD1 3.57Å; Y542-L759 HydrophobicContact CE2-CD1 4.24Å; Y542-L759 HydrophobicContact CG-CD1 4.13Å; Y542-L762 HydrophobicContact CD2-CD1 3.62Å; Y542-L762 HydrophobicContact CE2-CD1 4.44Å; Y542-L762 HydrophobicContact CG-CD1 4.33Å; Y542-I884 HydrophobicContact CD1-CD1 3.64Å; Y542-I884 HydrophobicContact CD2-CD1 3.94Å; Y542-I884 HydrophobicContact CE1-CD1 3.62Å; Y542-I884 HydrophobicContact CE2-CD1 3.94Å; Y542-I884 HydrophobicContact CG-CD1 3.79Å |
| 543 | P | 94.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -60.4 | -40.4 | 175.4 | -24.9 | 36 | 0 | 0 | 0 | 112.9 | L539 V546 Y547 L762 I765 G766 L769 L791 | L539-P543 WeakPolarHBondContact O-CD 3.31Å; L539-P543 WeakPolarHBondContact O-CG 3.17Å; P543-V546 PolarHBondContact O-N 2.82Å; P543-Y547 WeakPolarHBondContact O-CB 3.45Å; P543-Y547 PolarHBondContact O-N 2.92Å; P543-Y547 VanDerWaalsContact O-N 3.08Å; P543-L762 HydrophobicContact CG-CB 4.39Å; P543-L762 HydrophobicContact CG-CD2 4.48Å; P543-I765 HydrophobicContact CB-CB 4.41Å; P543-I765 HydrophobicContact CB-CG2 3.98Å; P543-I765 HydrophobicContact CG-CB 4.22Å; P543-I765 HydrophobicContact CG-CG2 4.02Å; P543-G766 WeakPolarHBondContact O-CA 3.32Å; P543-L769 HydrophobicContact CB-CD1 3.69Å; P543-L791 HydrophobicContact CB-CD2 4.38Å; P543-L791 HydrophobicContact CG-CD2 4.06Å |
| 544 | S | 91.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -63.4 | -39.4 | 175.9 | -173.4 | 0 | 0 | 0 | 0 | 112.2 | L540 G541 Y542 Y547 H548 V787 | L540-S544 WeakPolarHBondContact O-CB 3.45Å; L540-S544 PolarHBondContact O-N 3.42Å; G541-S544 PolarHBondContact O-N 2.75Å; Y542-S544 VanDerWaalsContact C-N 3.31Å; Y542-S544 PolarHBondContact O-N 3.21Å; S544-Y547 PolarHBondContact O-N 3.43Å; S544-H548 WeakPolarHBondContact O-CB 3.22Å; S544-H548 PolarHBondContact O-CD2 3.33Å; S544-H548 PolarHBondContact O-N 3.02Å; S544-V787 VanDerWaalsContact OG-C 3.28Å; S544-V787 PolarHBondContact OG-O 3.32Å |
| 545 | E | 90.7 | Very high | 90.4 | Very high | 2 Ų | 2 | 9.2 Ų | 9.2 | 1% | 0.009 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -64.6 | -45.5 | 177 | -162.2 | 81.4 | -178.2 | 0 | 0 | 111.1 | G541 Y542 Y547 H548 L549 G550 L553 R707 H708 N882 | G541-E545 WeakPolarHBondContact O-CB 3.3Å; G541-E545 PolarHBondContact O-N 2.96Å; Y542-E545 PolarHBondContact O-N 3.48Å; E545-Y547 VanDerWaalsContact C-N 3.32Å; E545-Y547 PolarHBondContact O-N 3.37Å; E545-H548 PolarHBondContact O-N 3.46Å; E545-L549 VanDerWaalsContact CD-CD1 3.41Å; E545-L549 HydrophobicContact CG-CB 4.24Å; E545-L549 HydrophobicContact CG-CD1 4.38Å; E545-L549 CarbonylContact O-C 2.97Å; E545-L549 VanDerWaalsContact O-CA 3.31Å; E545-L549 WeakPolarHBondContact O-CA 3.41Å; E545-L549 WeakPolarHBondContact O-CB 3.21Å; E545-L549 PolarHBondContact O-N 2.98Å; E545-L549 WeakPolarHBondContact OE1-CD1 3.26Å; E545-G550 PolarHBondContact O-N 3.14Å; E545-L553 HydrophobicContact CB-CD1 4.22Å; E545-L553 HydrophobicContact CG-CD1 3.73Å; E545-L553 HydrophobicContact CG-CG 4.4Å; E545-R707 IonicContact OE1-CZ 2.66Å; E545-R707 IonicContact OE1-NE 3.23Å; E545-R707 PolarHBondContact OE1-NE 3.33Å; E545-R707 IonicContact OE1-NH2 3.7Å; E545-R707 PolarHBondContact OE1-NH2 3.3Å; E545-R707 IonicContact OE2-NH2 3.75Å; E545-R707 PolarHBondContact OE2-NH2 2.9Å; E545-H708 IonicContact OE1-CD2 2.84Å; E545-H708 IonicContact OE1-NE2 2.86Å; E545-H708 PolarHBondContact OE1-NE2 3.37Å; E545-N882 PolarHBondContact OE2-ND2 3.07Å |
| 546 | V | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59.9 | -44.9 | 176.5 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | Y542 P543 G550 R694 M695 M763 M767 | Y542-V546 PolarHBondContact O-N 3.05Å; Y542-V546 VanDerWaalsContact O-N 3.07Å; P543-V546 PolarHBondContact O-N 2.82Å; V546-G550 WeakPolarHBondContact O-CA 3.4Å; V546-G550 PolarHBondContact O-N 2.93Å; V546-G550 VanDerWaalsContact O-N 3.16Å; V546-R694 WeakPolarHBondContact O-CG 3.46Å; V546-M695 HydrophobicContact CG1-CE 4.14Å; V546-M763 HydrophobicContact CG2-CB 4.39Å; V546-M763 HydrophobicContact CG2-CE 3.24Å; V546-M763 HydrophobicContact CG2-CG 4.5Å; V546-M763 HydrophobicContact CG2-SD 3.36Å; V546-M763 WeakPolarHBondContact CG2-SD 3.14Å; V546-M767 HydrophobicContact CG1-CG 4.22Å |
| 547 | Y | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.8 | -48.5 | -179.4 | 178.8 | -99.5 | 0 | 0 | 0 | 112.6 | P543 S544 E545 R694 L769 Y770 Y773 D777 I790 L946 | P543-Y547 WeakPolarHBondContact O-CB 3.45Å; P543-Y547 PolarHBondContact O-N 2.92Å; P543-Y547 VanDerWaalsContact O-N 3.08Å; S544-Y547 PolarHBondContact O-N 3.43Å; E545-Y547 VanDerWaalsContact C-N 3.32Å; E545-Y547 PolarHBondContact O-N 3.37Å; Y547-R694 PolarHBondContact O-NE 2.94Å; Y547-R694 PolarHBondContact O-NH2 3.35Å; Y547-L769 HydrophobicContact CD2-CB 3.96Å; Y547-L769 WeakPolarHBondContact CE2-O 3.17Å; Y547-Y770 VanDerWaalsContact CD2-CA 3.42Å; Y547-Y770 HydrophobicContact CD2-CD2 4.22Å; Y547-Y770 HydrophobicContact CE2-CD2 4.21Å; Y547-Y773 WeakPolarHBondContact OH-CB 3.45Å; Y547-Y773 PolarHBondContact OH-O 2.97Å; Y547-D777 VanDerWaalsContact CE1-OD2 3.23Å; Y547-D777 WeakPolarHBondContact CE1-OD2 3.18Å; Y547-D777 PolarHBondContact OH-OD2 2.9Å; Y547-I790 HydrophobicContact CD1-CG1 4.27Å; Y547-I790 HydrophobicContact CE1-CD1 4.38Å; Y547-I790 HydrophobicContact CE1-CG1 4.23Å; Y547-I790 HydrophobicContact CG-CG1 4.45Å; Y547-L946 HydrophobicContact CE1-CD1 3.86Å; Y547-L946 HydrophobicContact CE1-CD2 4.04Å; Y547-L946 HydrophobicContact CE2-CD2 4.34Å |
| 548 | H | 89.3 | Confident | 91.5 | Very high | 6 Ų | 6 | 15.5 Ų | 15.5 | 3% | 0.028 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -91.5 | -30.2 | -172.7 | -74.5 | -57 | 0 | 0 | 0 | 114.8 | S544 E545 L943 L944 | S544-H548 WeakPolarHBondContact O-CB 3.22Å; S544-H548 PolarHBondContact O-CD2 3.33Å; S544-H548 PolarHBondContact O-N 3.02Å; E545-H548 PolarHBondContact O-N 3.46Å; H548-L943 HydrophobicContact CB-CD2 3.94Å; H548-L944 PolarHBondContact O-N 3.19Å |
| 549 | L | 87.9 | Confident | 91.7 | Very high | 36 Ų | 36 | 15.1 Ų | 15.1 | 19% | 0.188 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -132.9 | -11.5 | -163.7 | -65.5 | 167 | 0 | 0 | 0 | 113.6 | E545 P941 Y942 L943 | E545-L549 VanDerWaalsContact CD-CD1 3.41Å; E545-L549 HydrophobicContact CG-CB 4.24Å; E545-L549 HydrophobicContact CG-CD1 4.38Å; E545-L549 CarbonylContact O-C 2.97Å; E545-L549 VanDerWaalsContact O-CA 3.31Å; E545-L549 WeakPolarHBondContact O-CA 3.41Å; E545-L549 WeakPolarHBondContact O-CB 3.21Å; E545-L549 PolarHBondContact O-N 2.98Å; E545-L549 WeakPolarHBondContact OE1-CD1 3.26Å; L549-P941 HydrophobicContact CD1-CB 4.26Å; L549-P941 HydrophobicContact CD1-CG 4.23Å; L549-P941 HydrophobicContact CD2-CB 3.94Å; L549-P941 HydrophobicContact CD2-CG 4.46Å; L549-Y942 WeakPolarHBondContact CD2-O 3.25Å; L549-L943 HydrophobicContact CD2-CD2 4.08Å; L549-L943 HydrophobicContact CG-CD2 4.35Å |
| 550 | G | 89.8 | Confident | 91.9 | Very high | 6 Ų | 6 | 15.8 Ų | 15.8 | 6% | 0.062 | 8% | 0.081 | C | C | . | . | trans | 96.8 | -178.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E545 V546 M552 R694 | E545-G550 PolarHBondContact O-N 3.14Å; V546-G550 WeakPolarHBondContact O-CA 3.4Å; V546-G550 PolarHBondContact O-N 2.93Å; V546-G550 VanDerWaalsContact O-N 3.16Å; G550-M552 PolarHBondContact O-N 3.44Å; G550-R694 CarbonylContact C-O 3.51Å; G550-R694 WeakPolarHBondContact CA-O 3.34Å | ||
| 551 | G | 91 | Very high | 92.2 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -84.6 | 3.1 | -164.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | L553 S554 R694 F697 M763 | G551-L553 PolarHBondContact O-N 2.98Å; G551-S554 VanDerWaalsContact O-CB 3.28Å; G551-S554 WeakPolarHBondContact O-CB 3.48Å; G551-S554 PolarHBondContact O-N 3.41Å; G551-S554 PolarHBondContact O-OG 3.3Å; G551-S554 VanDerWaalsContact O-OG 3.06Å; G551-R694 PolarHBondContact N-O 3.49Å; G551-F697 WeakPolarHBondContact O-CE1 3.27Å; G551-M763 VanDerWaalsContact CA-CE 3.5Å; G551-M763 WeakPolarHBondContact O-CE 3.22Å |
| 552 | M | 90.3 | Very high | 92.5 | Very high | 13 Ų | 13 | 22.1 Ų | 22.1 | 6% | 0.064 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -62.4 | -22.9 | -166.7 | -167.3 | 56.2 | 122 | 0 | 0 | 114.5 | G550 S554 Y555 D699 H708 I710 V713 | G550-M552 PolarHBondContact O-N 3.44Å; M552-S554 PolarHBondContact O-N 3.49Å; M552-S554 VanDerWaalsContact O-N 3.14Å; M552-Y555 PolarHBondContact O-N 3.12Å; M552-Y555 HydrophobicContact SD-CD2 3.51Å; M552-Y555 VanDerWaalsContact SD-CD2 3.51Å; M552-Y555 HydrophobicContact SD-CE2 3.57Å; M552-Y555 VanDerWaalsContact SD-CE2 3.57Å; M552-D699 HydrophobicContact CE-CB 3.41Å; M552-D699 VanDerWaalsContact CE-CB 3.41Å; M552-D699 WeakPolarHBondContact CE-O 3.31Å; M552-H708 HydrophobicContact CB-CB 3.84Å; M552-H708 HydrophobicContact CG-CB 3.72Å; M552-I710 HydrophobicContact CE-CG1 3.89Å; M552-I710 HydrophobicContact SD-CG1 4.42Å; M552-V713 HydrophobicContact CG-CG2 4.27Å |
| 553 | L | 90 | Very high | 92.6 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -63.8 | -12 | 171.8 | -72.6 | -176 | 0 | 0 | 0 | 113.7 | Y542 E545 G551 Y555 Y556 | Y542-L553 HydrophobicContact CD1-CD1 3.92Å; Y542-L553 HydrophobicContact CE1-CB 4.45Å; Y542-L553 HydrophobicContact CE1-CD1 3.92Å; E545-L553 HydrophobicContact CB-CD1 4.22Å; E545-L553 HydrophobicContact CG-CD1 3.73Å; E545-L553 HydrophobicContact CG-CG 4.4Å; G551-L553 PolarHBondContact O-N 2.98Å; L553-Y555 PolarHBondContact O-N 3Å; L553-Y555 VanDerWaalsContact O-N 3.13Å; L553-Y556 HydrophobicContact CD2-CD2 4.08Å; L553-Y556 HydrophobicContact CD2-CE2 3.8Å; L553-Y556 WeakPolarHBondContact O-CB 3.06Å; L553-Y556 WeakPolarHBondContact O-CD2 3.34Å; L553-Y556 PolarHBondContact O-N 3.46Å |
| 554 | S | 91.6 | Very high | 92.7 | Very high | 23 Ų | 23 | 20.9 Ų | 20.9 | 16% | 0.161 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -58 | -23.5 | 172.9 | 67.7 | 0 | 0 | 0 | 0 | 113 | G551 M552 Y556 L557 F697 | G551-S554 VanDerWaalsContact O-CB 3.28Å; G551-S554 WeakPolarHBondContact O-CB 3.48Å; G551-S554 PolarHBondContact O-N 3.41Å; G551-S554 PolarHBondContact O-OG 3.3Å; G551-S554 VanDerWaalsContact O-OG 3.06Å; M552-S554 PolarHBondContact O-N 3.49Å; M552-S554 VanDerWaalsContact O-N 3.14Å; S554-Y556 PolarHBondContact O-N 2.92Å; S554-Y556 VanDerWaalsContact O-N 3.07Å; S554-L557 VanDerWaalsContact O-CB 3.31Å; S554-L557 WeakPolarHBondContact O-CB 3.26Å; S554-L557 WeakPolarHBondContact O-CG 3.41Å; S554-L557 PolarHBondContact O-N 3.13Å; S554-F697 WeakPolarHBondContact OG-CD1 3.45Å; S554-F697 WeakPolarHBondContact OG-CE1 3.28Å |
| 555 | Y | 93.2 | Very high | 92.9 | Very high | 58 Ų | 58 | 22.8 Ų | 22.8 | 23% | 0.227 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -63.6 | -10.3 | 173.8 | -83.1 | -84.6 | 0 | 0 | 0 | 113.9 | M552 L553 L557 V558 V559 F697 I710 V714 | M552-Y555 PolarHBondContact O-N 3.12Å; M552-Y555 HydrophobicContact SD-CD2 3.51Å; M552-Y555 VanDerWaalsContact SD-CD2 3.51Å; M552-Y555 HydrophobicContact SD-CE2 3.57Å; M552-Y555 VanDerWaalsContact SD-CE2 3.57Å; L553-Y555 PolarHBondContact O-N 3Å; L553-Y555 VanDerWaalsContact O-N 3.13Å; Y555-L557 PolarHBondContact O-N 2.6Å; Y555-V558 HydrophobicContact CD1-CG2 4.12Å; Y555-V558 WeakPolarHBondContact O-CB 3.45Å; Y555-V558 PolarHBondContact O-N 3.03Å; Y555-V559 PolarHBondContact O-N 3.32Å; Y555-F697 HydrophobicContact CE2-CB 3.93Å; Y555-F697 HydrophobicContact CE2-CD1 4.41Å; Y555-F697 WeakPolarHBondContact CE2-O 3.28Å; Y555-F697 PolarHBondContact OH-O 3.43Å; Y555-I710 HydrophobicContact CD1-CG2 4.25Å; Y555-I710 HydrophobicContact CD2-CG1 4.37Å; Y555-I710 HydrophobicContact CE1-CD1 4.18Å; Y555-I710 HydrophobicContact CE1-CG1 4.13Å; Y555-I710 HydrophobicContact CE1-CG2 4.05Å; Y555-I710 HydrophobicContact CE2-CD1 4.22Å; Y555-I710 HydrophobicContact CE2-CG1 3.8Å; Y555-I710 WeakPolarHBondContact OH-CD1 3.41Å; Y555-V714 HydrophobicContact CD1-CG2 4.14Å |
| 556 | Y | 92.7 | Very high | 93.1 | Very high | 15 Ų | 15 | 24.8 Ų | 24.8 | 6% | 0.059 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.7 | -21.5 | 165.5 | -91.8 | -96.6 | 0 | 0 | 0 | 112.9 | L553 S554 V558 V559 Y560 V713 V721 | L553-Y556 HydrophobicContact CD2-CD2 4.08Å; L553-Y556 HydrophobicContact CD2-CE2 3.8Å; L553-Y556 WeakPolarHBondContact O-CB 3.06Å; L553-Y556 WeakPolarHBondContact O-CD2 3.34Å; L553-Y556 PolarHBondContact O-N 3.46Å; S554-Y556 PolarHBondContact O-N 2.92Å; S554-Y556 VanDerWaalsContact O-N 3.07Å; Y556-V558 VanDerWaalsContact C-N 3.31Å; Y556-V558 PolarHBondContact O-N 2.92Å; Y556-V559 HydrophobicContact CD1-CB 4.31Å; Y556-V559 HydrophobicContact CD1-CG1 4.3Å; Y556-V559 CarbonylContact O-C 3.59Å; Y556-V559 WeakPolarHBondContact O-CB 3.38Å; Y556-V559 PolarHBondContact O-N 3.05Å; Y556-Y560 HydrophobicContact CD1-CE1 4.03Å; Y556-Y560 WeakPolarHBondContact O-CD2 3.38Å; Y556-Y560 PolarHBondContact O-N 2.86Å; Y556-V713 HydrophobicContact CD2-CG1 3.7Å; Y556-V713 HydrophobicContact CE2-CG1 3.89Å; Y556-V721 HydrophobicContact CD1-CG2 4.05Å; Y556-V721 HydrophobicContact CE1-CG2 3.71Å |
| 557 | L | 94.2 | Very high | 93.2 | Very high | 54 Ų | 54 | 24.8 Ų | 24.8 | 28% | 0.283 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -58.5 | -42.8 | 169.9 | -65.1 | 172.7 | 0 | 0 | 0 | 112 | S554 Y555 A561 A756 L759 L760 | S554-L557 VanDerWaalsContact O-CB 3.31Å; S554-L557 WeakPolarHBondContact O-CB 3.26Å; S554-L557 WeakPolarHBondContact O-CG 3.41Å; S554-L557 PolarHBondContact O-N 3.13Å; Y555-L557 PolarHBondContact O-N 2.6Å; L557-A561 PolarHBondContact O-N 3.12Å; L557-A756 HydrophobicContact CD2-CB 3.48Å; L557-A756 VanDerWaalsContact CD2-CB 3.48Å; L557-L759 HydrophobicContact CD2-CD2 4.22Å; L557-L759 HydrophobicContact CG-CD2 4.18Å; L557-L760 HydrophobicContact CD1-CD2 3.87Å; L557-L760 HydrophobicContact CD1-CG 4.26Å; L557-L760 HydrophobicContact CD2-CG 4.22Å |
| 558 | V | 95.1 | Very high | 93.2 | Very high | 66 Ų | 66 | 24.8 Ų | 24.8 | 40% | 0.4 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -68.5 | -40.9 | 175.3 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | Y555 Y556 Y560 A561 I562 | Y555-V558 HydrophobicContact CD1-CG2 4.12Å; Y555-V558 WeakPolarHBondContact O-CB 3.45Å; Y555-V558 PolarHBondContact O-N 3.03Å; Y556-V558 VanDerWaalsContact C-N 3.31Å; Y556-V558 PolarHBondContact O-N 2.92Å; V558-Y560 PolarHBondContact O-N 3.18Å; V558-A561 PolarHBondContact O-N 3.25Å; V558-I562 HydrophobicContact CG1-CD1 3.93Å; V558-I562 WeakPolarHBondContact O-CG1 3.46Å; V558-I562 PolarHBondContact O-N 3.42Å; V558-I562 VanDerWaalsContact O-N 3.1Å |
| 559 | V | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.5 | -48.3 | 175.6 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | Y555 Y556 A561 I562 V563 V721 | Y555-V559 PolarHBondContact O-N 3.32Å; Y556-V559 HydrophobicContact CD1-CB 4.31Å; Y556-V559 HydrophobicContact CD1-CG1 4.3Å; Y556-V559 CarbonylContact O-C 3.59Å; Y556-V559 WeakPolarHBondContact O-CB 3.38Å; Y556-V559 PolarHBondContact O-N 3.05Å; V559-A561 VanDerWaalsContact C-N 3.33Å; V559-A561 PolarHBondContact O-N 3.49Å; V559-I562 PolarHBondContact O-N 2.81Å; V559-I562 VanDerWaalsContact O-N 3.16Å; V559-V563 HydrophobicContact CG1-CG2 3.81Å; V559-V563 WeakPolarHBondContact O-CB 3.44Å; V559-V563 VanDerWaalsContact O-CG2 3.25Å; V559-V563 WeakPolarHBondContact O-CG2 3.35Å; V559-V563 PolarHBondContact O-N 3.06Å; V559-V721 HydrophobicContact CG1-CB 4.13Å; V559-V721 HydrophobicContact CG1-CG2 3.76Å |
| 560 | Y | 94.9 | Very high | 93.9 | Very high | 20 Ų | 20 | 31.6 Ų | 31.6 | 8% | 0.078 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 179.2 | -62 | -33.3 | 0 | 0 | 0 | 112.4 | Y556 V558 I562 F564 V721 D755 L759 | Y556-Y560 HydrophobicContact CD1-CE1 4.03Å; Y556-Y560 WeakPolarHBondContact O-CD2 3.38Å; Y556-Y560 PolarHBondContact O-N 2.86Å; V558-Y560 PolarHBondContact O-N 3.18Å; Y560-I562 VanDerWaalsContact C-N 3.26Å; Y560-I562 PolarHBondContact O-N 3.13Å; Y560-F564 AromaticContact CD1-CE2 3.77Å; Y560-F564 HydrophobicContact CD1-CE2 3.77Å; Y560-F564 AromaticContact CD1-CZ 3.88Å; Y560-F564 HydrophobicContact CD1-CZ 3.88Å; Y560-F564 HydrophobicContact CE1-CZ 4.43Å; Y560-F564 AromaticContact CG-CE2 3.88Å; Y560-F564 HydrophobicContact CG-CE2 3.88Å; Y560-F564 HydrophobicContact CG-CZ 4.44Å; Y560-F564 WeakPolarHBondContact O-CD2 3.24Å; Y560-F564 PolarHBondContact O-N 2.98Å; Y560-V721 HydrophobicContact CD1-CG1 4.36Å; Y560-V721 HydrophobicContact CE1-CG1 4.39Å; Y560-V721 HydrophobicContact CE1-CG2 4.09Å; Y560-D755 HydrophobicContact CD2-CB 3.92Å; Y560-D755 HydrophobicContact CE2-CB 3.79Å; Y560-D755 HydrophobicContact CG-CB 4.36Å; Y560-L759 HydrophobicContact CE2-CB 4.4Å; Y560-L759 HydrophobicContact CE2-CD2 4Å |
| 561 | A | 95.3 | Very high | 94.1 | Very high | 57 Ų | 57 | 31.8 Ų | 31.8 | 47% | 0.471 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.7 | -29.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L557 V558 V559 P565 | L557-A561 PolarHBondContact O-N 3.12Å; V558-A561 PolarHBondContact O-N 3.25Å; V559-A561 VanDerWaalsContact C-N 3.33Å; V559-A561 PolarHBondContact O-N 3.49Å; A561-P565 VanDerWaalsContact O-CD 3.26Å; A561-P565 WeakPolarHBondContact O-CD 3.27Å; A561-P565 VanDerWaalsContact O-CG 3.26Å; A561-P565 WeakPolarHBondContact O-CG 3.44Å |
| 562 | I | 95.3 | Very high | 94.2 | Very high | 76 Ų | 76 | 31.8 Ų | 31.8 | 39% | 0.39 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -85.7 | -48.9 | 176.6 | -65.3 | 167.8 | 0 | 0 | 0 | 111 | V558 V559 Y560 T566 | V558-I562 HydrophobicContact CG1-CD1 3.93Å; V558-I562 WeakPolarHBondContact O-CG1 3.46Å; V558-I562 PolarHBondContact O-N 3.42Å; V558-I562 VanDerWaalsContact O-N 3.1Å; V559-I562 PolarHBondContact O-N 2.81Å; V559-I562 VanDerWaalsContact O-N 3.16Å; Y560-I562 VanDerWaalsContact C-N 3.26Å; Y560-I562 PolarHBondContact O-N 3.13Å; I562-T566 WeakPolarHBondContact O-CB 3.33Å; I562-T566 PolarHBondContact O-N 3.3Å; I562-T566 PolarHBondContact O-OG1 3.23Å |
| 563 | V | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.1 | -47 | -166.4 | 172.6 | 0 | 0 | 0 | 0 | 112 | V559 T566 V567 T718 V721 I722 | V559-V563 HydrophobicContact CG1-CG2 3.81Å; V559-V563 WeakPolarHBondContact O-CB 3.44Å; V559-V563 VanDerWaalsContact O-CG2 3.25Å; V559-V563 WeakPolarHBondContact O-CG2 3.35Å; V559-V563 PolarHBondContact O-N 3.06Å; V563-T566 CarbonylContact O-C 3.5Å; V563-T566 WeakPolarHBondContact O-CA 3.17Å; V563-T566 WeakPolarHBondContact O-CB 3.34Å; V563-T566 PolarHBondContact O-N 2.92Å; V563-T566 VanDerWaalsContact O-N 3.07Å; V563-V567 HydrophobicContact CG1-CG2 3.96Å; V563-V567 WeakPolarHBondContact O-CG2 3.42Å; V563-V567 PolarHBondContact O-N 2.86Å; V563-T718 HydrophobicContact CG2-CG2 3.86Å; V563-V721 HydrophobicContact CB-CB 4.41Å; V563-V721 HydrophobicContact CB-CG1 4.15Å; V563-V721 HydrophobicContact CG1-CB 4Å; V563-V721 HydrophobicContact CG1-CG1 3.6Å; V563-V721 HydrophobicContact CG2-CB 4.28Å; V563-I722 HydrophobicContact CB-CG1 4.32Å; V563-I722 HydrophobicContact CG1-CB 4.46Å; V563-I722 HydrophobicContact CG1-CG1 3.6Å; V563-I722 HydrophobicContact CG2-CD1 4.4Å; V563-I722 HydrophobicContact CG2-CG1 3.9Å |
| 564 | F | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.7 | -41.9 | -175.4 | -65.7 | -40.7 | 0 | 0 | 0 | 113.8 | Y560 T566 V567 A568 V721 F725 I748 N751 V752 D755 | Y560-F564 AromaticContact CD1-CE2 3.77Å; Y560-F564 HydrophobicContact CD1-CE2 3.77Å; Y560-F564 AromaticContact CD1-CZ 3.88Å; Y560-F564 HydrophobicContact CD1-CZ 3.88Å; Y560-F564 HydrophobicContact CE1-CZ 4.43Å; Y560-F564 AromaticContact CG-CE2 3.88Å; Y560-F564 HydrophobicContact CG-CE2 3.88Å; Y560-F564 HydrophobicContact CG-CZ 4.44Å; Y560-F564 WeakPolarHBondContact O-CD2 3.24Å; Y560-F564 PolarHBondContact O-N 2.98Å; F564-T566 VanDerWaalsContact C-N 3.32Å; F564-T566 PolarHBondContact O-N 2.86Å; F564-V567 PolarHBondContact O-N 3.25Å; F564-A568 VanDerWaalsContact O-CB 3.32Å; F564-A568 WeakPolarHBondContact O-CB 3.17Å; F564-A568 PolarHBondContact O-N 3.23Å; F564-V721 HydrophobicContact CE1-CG1 4.19Å; F564-V721 HydrophobicContact CZ-CG1 4.48Å; F564-F725 HydrophobicContact CD1-CD1 4.21Å; F564-F725 HydrophobicContact CD1-CE1 4.27Å; F564-F725 HydrophobicContact CD1-CG 4.5Å; F564-F725 AromaticContact CE1-CD1 3.69Å; F564-F725 HydrophobicContact CE1-CD1 3.69Å; F564-F725 AromaticContact CE1-CD2 3.91Å; F564-F725 HydrophobicContact CE1-CD2 3.91Å; F564-F725 AromaticContact CE1-CE1 3.43Å; F564-F725 HydrophobicContact CE1-CE1 3.43Å; F564-F725 VanDerWaalsContact CE1-CE1 3.43Å; F564-F725 AromaticContact CE1-CE2 3.68Å; F564-F725 HydrophobicContact CE1-CE2 3.68Å; F564-F725 AromaticContact CE1-CG 3.94Å; F564-F725 HydrophobicContact CE1-CG 3.94Å; F564-F725 AromaticContact CE1-CZ 3.43Å; F564-F725 HydrophobicContact CE1-CZ 3.43Å; F564-F725 VanDerWaalsContact CE1-CZ 3.43Å; F564-F725 HydrophobicContact CZ-CE1 4.1Å; F564-F725 HydrophobicContact CZ-CE2 4.11Å; F564-F725 AromaticContact CZ-CZ 3.76Å; F564-F725 HydrophobicContact CZ-CZ 3.76Å; F564-I748 HydrophobicContact CB-CG2 4Å; F564-I748 HydrophobicContact CD1-CG2 4.07Å; F564-I748 HydrophobicContact CG-CG2 4.38Å; F564-I748 WeakPolarHBondContact O-CG2 3.13Å; F564-N751 HydrophobicContact CD1-CB 4.31Å; F564-N751 HydrophobicContact CD2-CB 3.95Å; F564-N751 HydrophobicContact CE1-CB 4.09Å; F564-N751 VanDerWaalsContact CE2-C 3.47Å; F564-N751 HydrophobicContact CE2-CB 3.65Å; F564-N751 WeakPolarHBondContact CE2-O 3.36Å; F564-N751 HydrophobicContact CG-CB 4.27Å; F564-N751 HydrophobicContact CZ-CB 3.75Å; F564-V752 HydrophobicContact CB-CG2 3.56Å; F564-V752 HydrophobicContact CD2-CB 4.19Å; F564-V752 HydrophobicContact CD2-CG2 3.61Å; F564-V752 HydrophobicContact CG-CG2 4.07Å; F564-D755 HydrophobicContact CE2-CB 4.21Å; F564-D755 WeakPolarHBondContact CE2-OD2 3.31Å; F564-D755 WeakPolarHBondContact CZ-OD2 3.43Å |
| 565 | P | 96.1 | Very high | 94.3 | Very high | 41 Ų | 41 | 35 Ų | 35 | 27% | 0.266 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.3 | -41.6 | 169.2 | -26.5 | 37.7 | 0 | 0 | 0 | 112.5 | A561 V567 A568 F569 L749 | A561-P565 VanDerWaalsContact O-CD 3.26Å; A561-P565 WeakPolarHBondContact O-CD 3.27Å; A561-P565 VanDerWaalsContact O-CG 3.26Å; A561-P565 WeakPolarHBondContact O-CG 3.44Å; P565-V567 PolarHBondContact O-N 3.37Å; P565-A568 PolarHBondContact O-N 2.99Å; P565-F569 HydrophobicContact CB-CD2 4.35Å; P565-F569 VanDerWaalsContact O-CD2 3.26Å; P565-F569 WeakPolarHBondContact O-CD2 3.45Å; P565-F569 PolarHBondContact O-N 3.35Å; P565-L749 HydrophobicContact CB-CD2 4.32Å; P565-L749 HydrophobicContact CG-CD2 4.07Å |
| 566 | T | 95.5 | Very high | 94.1 | Very high | 43 Ų | 43 | 33 Ų | 33 | 26% | 0.264 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60 | -47 | 177.4 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | I562 V563 F564 A568 V570 Y571 | I562-T566 WeakPolarHBondContact O-CB 3.33Å; I562-T566 PolarHBondContact O-N 3.3Å; I562-T566 PolarHBondContact O-OG1 3.23Å; V563-T566 CarbonylContact O-C 3.5Å; V563-T566 WeakPolarHBondContact O-CA 3.17Å; V563-T566 WeakPolarHBondContact O-CB 3.34Å; V563-T566 PolarHBondContact O-N 2.92Å; V563-T566 VanDerWaalsContact O-N 3.07Å; F564-T566 VanDerWaalsContact C-N 3.32Å; F564-T566 PolarHBondContact O-N 2.86Å; T566-A568 PolarHBondContact O-N 3.5Å; T566-V570 HydrophobicContact CG2-CB 4.32Å; T566-V570 HydrophobicContact CG2-CG2 4.12Å; T566-V570 WeakPolarHBondContact O-CA 3.5Å; T566-V570 WeakPolarHBondContact O-CB 3.43Å; T566-V570 WeakPolarHBondContact O-CG2 3.27Å; T566-V570 PolarHBondContact O-N 3.47Å; T566-Y571 HydrophobicContact CG2-CD2 4.28Å; T566-Y571 HydrophobicContact CG2-CE2 3.95Å |
| 567 | V | 94.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -63.1 | -45.3 | 177 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | V563 F564 P565 F569 Y571 L572 F725 T726 I748 | V563-V567 HydrophobicContact CG1-CG2 3.96Å; V563-V567 WeakPolarHBondContact O-CG2 3.42Å; V563-V567 PolarHBondContact O-N 2.86Å; F564-V567 PolarHBondContact O-N 3.25Å; P565-V567 PolarHBondContact O-N 3.37Å; V567-F569 PolarHBondContact O-N 3.15Å; V567-Y571 PolarHBondContact O-N 2.87Å; V567-L572 VanDerWaalsContact O-CB 3.26Å; V567-L572 WeakPolarHBondContact O-CB 3.46Å; V567-L572 PolarHBondContact O-N 2.89Å; V567-F725 HydrophobicContact CG1-CB 4.29Å; V567-F725 HydrophobicContact CG2-CB 4.06Å; V567-T726 HydrophobicContact CB-CG2 4.4Å; V567-T726 HydrophobicContact CG1-CG2 4.01Å; V567-T726 HydrophobicContact CG2-CG2 3.68Å; V567-I748 HydrophobicContact CB-CG2 4.37Å; V567-I748 HydrophobicContact CG1-CD1 3.62Å; V567-I748 HydrophobicContact CG1-CG2 4.46Å |
| 568 | A | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -64.3 | -39.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F564 P565 T566 Q745 I748 L749 | F564-A568 VanDerWaalsContact O-CB 3.32Å; F564-A568 WeakPolarHBondContact O-CB 3.17Å; F564-A568 PolarHBondContact O-N 3.23Å; P565-A568 PolarHBondContact O-N 2.99Å; T566-A568 PolarHBondContact O-N 3.5Å; A568-Q745 HydrophobicContact CB-CB 4.33Å; A568-Q745 HydrophobicContact CB-CG 4.34Å; A568-Q745 WeakPolarHBondContact O-CG 3.49Å; A568-Q745 PolarHBondContact O-NE2 2.94Å; A568-I748 HydrophobicContact CB-CB 4.3Å; A568-I748 HydrophobicContact CB-CG2 4.28Å; A568-L749 HydrophobicContact CB-CD2 4.34Å; A568-L749 HydrophobicContact CB-CG 4.26Å |
| 569 | F | 96.2 | Very high | 92.8 | Very high | 119 Ų | 119 | 38.2 Ų | 38.2 | 52% | 0.522 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -105.2 | -19.3 | -171.7 | -63 | -63.9 | 0 | 0 | 0 | 114.6 | P565 V567 P573 L749 | P565-F569 HydrophobicContact CB-CD2 4.35Å; P565-F569 VanDerWaalsContact O-CD2 3.26Å; P565-F569 WeakPolarHBondContact O-CD2 3.45Å; P565-F569 PolarHBondContact O-N 3.35Å; V567-F569 PolarHBondContact O-N 3.15Å; F569-P573 WeakPolarHBondContact O-CG 3.46Å; F569-L749 HydrophobicContact CE2-CD1 4.09Å; F569-L749 HydrophobicContact CE2-CD2 4.22Å; F569-L749 HydrophobicContact CZ-CD1 3.92Å |
| 570 | V | 95 | Very high | 92.3 | Very high | 66 Ų | 66 | 39.3 Ų | 39.3 | 40% | 0.4 | 22% | 0.216 | S | C | . | . | I | π-helix | trans | -105.8 | -53.8 | -178 | -172.3 | 0 | 0 | 0 | 0 | 111.4 | T566 F907 | T566-V570 HydrophobicContact CG2-CB 4.32Å; T566-V570 HydrophobicContact CG2-CG2 4.12Å; T566-V570 WeakPolarHBondContact O-CA 3.5Å; T566-V570 WeakPolarHBondContact O-CB 3.43Å; T566-V570 WeakPolarHBondContact O-CG2 3.27Å; T566-V570 PolarHBondContact O-N 3.47Å; V570-F907 HydrophobicContact CG1-CE1 3.72Å; V570-F907 HydrophobicContact CG1-CZ 3.61Å |
| 571 | Y | 93.4 | Very high | 91.7 | Very high | 11 Ų | 11 | 39.6 Ų | 39.6 | 4% | 0.043 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -84.6 | -43.3 | -174.1 | -70.4 | -96.2 | 0 | 0 | 0 | 112.9 | T566 V567 I574 M575 I722 T726 F903 M906 F907 | T566-Y571 HydrophobicContact CG2-CD2 4.28Å; T566-Y571 HydrophobicContact CG2-CE2 3.95Å; V567-Y571 PolarHBondContact O-N 2.87Å; Y571-I574 WeakPolarHBondContact O-CB 3.11Å; Y571-I574 PolarHBondContact O-N 3.43Å; Y571-I574 VanDerWaalsContact O-N 3.13Å; Y571-M575 PolarHBondContact O-N 3.33Å; Y571-I722 HydrophobicContact CE2-CG2 4.22Å; Y571-T726 HydrophobicContact CD1-CG2 3.69Å; Y571-T726 HydrophobicContact CD2-CG2 3.92Å; Y571-T726 HydrophobicContact CE1-CG2 4.15Å; Y571-T726 HydrophobicContact CE2-CG2 4.36Å; Y571-T726 HydrophobicContact CG-CG2 3.55Å; Y571-F903 WeakPolarHBondContact OH-CD2 3.39Å; Y571-M906 HydrophobicContact CD1-CE 4.31Å; Y571-M906 HydrophobicContact CD1-SD 3.7Å; Y571-M906 HydrophobicContact CE1-SD 4.28Å; Y571-F907 HydrophobicContact CD1-CE2 4.19Å; Y571-F907 HydrophobicContact CD1-CZ 4.28Å; Y571-F907 AromaticContact CE1-CE2 3.66Å; Y571-F907 HydrophobicContact CE1-CE2 3.66Å; Y571-F907 HydrophobicContact CE1-CZ 4.16Å; Y571-F907 AromaticContact CZ-CE2 3.86Å |
| 572 | L | 92.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -37.4 | -173.6 | -166.8 | 66.5 | 0 | 0 | 0 | 113.9 | V567 I574 M575 Y576 Y735 L741 A744 Q745 I748 | V567-L572 VanDerWaalsContact O-CB 3.26Å; V567-L572 WeakPolarHBondContact O-CB 3.46Å; V567-L572 PolarHBondContact O-N 2.89Å; L572-I574 PolarHBondContact O-N 3.46Å; L572-M575 PolarHBondContact O-N 2.94Å; L572-Y576 WeakPolarHBondContact O-CB 3.2Å; L572-Y576 PolarHBondContact O-N 2.97Å; L572-Y735 HydrophobicContact CD1-CD2 3.7Å; L572-Y735 HydrophobicContact CD1-CG 3.94Å; L572-L741 HydrophobicContact CB-CD1 4.31Å; L572-L741 HydrophobicContact CD2-CD1 3.78Å; L572-L741 HydrophobicContact CG-CD1 3.64Å; L572-A744 HydrophobicContact CD2-CB 3.73Å; L572-Q745 HydrophobicContact CD2-CG 3.84Å; L572-I748 HydrophobicContact CD1-CD1 4.42Å; L572-I748 HydrophobicContact CD2-CD1 3.92Å |
| 573 | P | 93.5 | Very high | 91.4 | Very high | 48 Ų | 48 | 33.3 Ų | 33.3 | 31% | 0.312 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.2 | -26.4 | 175 | -26 | 37.7 | 0 | 0 | 0 | 113.9 | F569 P577 L741 | F569-P573 WeakPolarHBondContact O-CG 3.46Å; P573-P577 WeakPolarHBondContact O-CD 3.36Å; P573-P577 VanDerWaalsContact O-CG 3.27Å; P573-P577 WeakPolarHBondContact O-CG 3.36Å; P573-L741 HydrophobicContact CB-CD2 4.4Å |
| 574 | I | 91.7 | Very high | 91.4 | Very high | 57 Ų | 57 | 33.3 Ų | 33.3 | 29% | 0.292 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -79.4 | -45.3 | 176.8 | -57.4 | 174.1 | 0 | 0 | 0 | 110.2 | Y571 L572 M906 F907 | Y571-I574 WeakPolarHBondContact O-CB 3.11Å; Y571-I574 PolarHBondContact O-N 3.43Å; Y571-I574 VanDerWaalsContact O-N 3.13Å; L572-I574 PolarHBondContact O-N 3.46Å; I574-M906 HydrophobicContact CB-SD 4.41Å; I574-M906 HydrophobicContact CD1-CB 4.05Å; I574-M906 HydrophobicContact CD1-CG 4.32Å; I574-M906 HydrophobicContact CD1-SD 4.12Å; I574-M906 HydrophobicContact CG2-CG 4.18Å; I574-M906 HydrophobicContact CG2-SD 4.25Å; I574-F907 HydrophobicContact CD1-CE1 3.68Å; I574-F907 HydrophobicContact CD1-CZ 3.96Å |
| 575 | M | 89 | Confident | 91.3 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.02 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -83.8 | -38.9 | -173 | -65.2 | -159.4 | -67.8 | 0 | 0 | 114.3 | Y571 L572 L578 V583 T726 V732 F736 M906 | Y571-M575 PolarHBondContact O-N 3.33Å; L572-M575 PolarHBondContact O-N 2.94Å; M575-L578 WeakPolarHBondContact O-CB 3.29Å; M575-L578 PolarHBondContact O-N 2.96Å; M575-L578 VanDerWaalsContact O-N 3.12Å; M575-V583 HydrophobicContact SD-CG2 3.64Å; M575-T726 VanDerWaalsContact CE-O 3.3Å; M575-T726 WeakPolarHBondContact CE-O 3.41Å; M575-V732 HydrophobicContact CE-CG2 4.25Å; M575-F736 HydrophobicContact CB-CE1 4.32Å; M575-F736 HydrophobicContact CB-CZ 4.27Å; M575-F736 WeakPolarHBondContact O-CE1 3.49Å; M575-M906 HydrophobicContact CG-CE 3.62Å; M575-M906 HydrophobicContact SD-CE 3.6Å; M575-M906 VanDerWaalsContact SD-CE 3.6Å |
| 576 | Y | 88.7 | Confident | 91.2 | Very high | 16 Ų | 16 | 33.6 Ų | 33.6 | 6% | 0.063 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -59.2 | -42 | -172.9 | -175.8 | -87.8 | 0 | 0 | 0 | 114.2 | L572 L578 K579 Y735 F736 M738 A739 S740 L741 A744 | L572-Y576 WeakPolarHBondContact O-CB 3.2Å; L572-Y576 PolarHBondContact O-N 2.97Å; Y576-L578 PolarHBondContact O-N 2.93Å; Y576-K579 WeakPolarHBondContact O-CG 3.4Å; Y576-K579 PolarHBondContact O-N 3.38Å; Y576-Y735 WeakPolarHBondContact CE2-O 3.44Å; Y576-F736 HydrophobicContact CD2-CD1 4.44Å; Y576-M738 PolarHBondContact OH-O 3.35Å; Y576-A739 VanDerWaalsContact OH-C 3.25Å; Y576-A739 PolarHBondContact OH-O 2.94Å; Y576-S740 WeakPolarHBondContact OH-CA 3.23Å; Y576-S740 PolarHBondContact OH-N 3.43Å; Y576-S740 VanDerWaalsContact OH-N 3.09Å; Y576-L741 HydrophobicContact CD1-CB 3.64Å; Y576-L741 HydrophobicContact CD1-CD1 4.22Å; Y576-L741 HydrophobicContact CD1-CG 4.45Å; Y576-L741 HydrophobicContact CE1-CB 3.88Å; Y576-L741 HydrophobicContact CG-CB 4.16Å; Y576-L741 HydrophobicContact CG-CD1 3.92Å; Y576-A744 HydrophobicContact CD2-CB 3.97Å; Y576-A744 HydrophobicContact CE2-CB 3.92Å |
| 577 | P | 89.6 | Confident | 91.1 | Very high | 89 Ų | 89 | 31.5 Ų | 31.5 | 58% | 0.578 | 16% | 0.163 | S | C | * | . | G | 310 helix | trans | -60.8 | -25.2 | 177.8 | -24.1 | 35.7 | 0 | 0 | 0 | 113.8 | P573 | P573-P577 WeakPolarHBondContact O-CD 3.36Å; P573-P577 VanDerWaalsContact O-CG 3.27Å; P573-P577 WeakPolarHBondContact O-CG 3.36Å |
| 578 | L | 87.1 | Confident | 91.1 | Very high | 58 Ų | 58 | 35 Ų | 35 | 30% | 0.304 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -75.3 | -25.8 | -176.4 | -53.7 | 176.2 | 0 | 0 | 0 | 113 | M575 Y576 L580 Y586 M589 | M575-L578 WeakPolarHBondContact O-CB 3.29Å; M575-L578 PolarHBondContact O-N 2.96Å; M575-L578 VanDerWaalsContact O-N 3.12Å; Y576-L578 PolarHBondContact O-N 2.93Å; L578-L580 HydrophobicContact CB-CD1 3.92Å; L578-L580 HydrophobicContact CB-CD2 4.1Å; L578-L580 HydrophobicContact CB-CG 3.66Å; L578-L580 HydrophobicContact CD1-CD1 4.02Å; L578-L580 PolarHBondContact O-N 3.46Å; L578-L580 VanDerWaalsContact O-N 3.08Å; L578-Y586 HydrophobicContact CD1-CD2 3.77Å; L578-M589 HydrophobicContact CD2-CE 4.08Å |
| 579 | K | 79.8 | Confident | 91.1 | Very high | 97 Ų | 97 | 41.1 Ų | 41.1 | 42% | 0.422 | 21% | 0.209 | S | C | . | . | trans | 45.7 | 40 | 177.4 | -68.1 | -169.6 | 174 | -178.8 | 0 | 114.9 | R511 Y576 | R511-K579 PolarHBondContact NH1-O 3.3Å; Y576-K579 WeakPolarHBondContact O-CG 3.4Å; Y576-K579 PolarHBondContact O-N 3.38Å | ||
| 580 | L | 84.1 | Confident | 91 | Very high | 22 Ų | 22 | 38.8 Ų | 38.8 | 12% | 0.115 | 20% | 0.197 | C | C | . | . | trans | -70.6 | 154.7 | -174.3 | -55.9 | 169.6 | 0 | 0 | 0 | 112.2 | L578 S582 E585 M589 F736 | L578-L580 HydrophobicContact CB-CD1 3.92Å; L578-L580 HydrophobicContact CB-CD2 4.1Å; L578-L580 HydrophobicContact CB-CG 3.66Å; L578-L580 HydrophobicContact CD1-CD1 4.02Å; L578-L580 PolarHBondContact O-N 3.46Å; L578-L580 VanDerWaalsContact O-N 3.08Å; L580-S582 WeakPolarHBondContact CB-O 3.28Å; L580-E585 HydrophobicContact CB-CB 4.48Å; L580-E585 HydrophobicContact CD1-CB 3.96Å; L580-E585 HydrophobicContact CD2-CB 3.92Å; L580-E585 HydrophobicContact CG-CB 4.31Å; L580-M589 HydrophobicContact CD2-SD 4.36Å; L580-F736 HydrophobicContact CB-CE2 4.4Å; L580-F736 WeakPolarHBondContact O-CD2 3.42Å; L580-F736 WeakPolarHBondContact O-CE2 3.33Å | ||
| 581 | I | 83.4 | Confident | 90.9 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 14% | 0.138 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -82.6 | -43.9 | 172.3 | -64.4 | 173.7 | 0 | 0 | 0 | 109.3 | L514 L515 E585 Q729 A830 Q834 | L514-I581 HydrophobicContact CD1-CG2 4.18Å; L515-I581 HydrophobicContact CD1-CG1 4.02Å; I581-E585 PolarHBondContact N-OE1 3.43Å; I581-Q729 PolarHBondContact O-NE2 2.97Å; I581-A830 HydrophobicContact CG2-CB 4.49Å; I581-Q834 HydrophobicContact CB-CG 4.2Å; I581-Q834 HydrophobicContact CG2-CB 4.27Å; I581-Q834 HydrophobicContact CG2-CG 4.4Å |
| 582 | S | 92 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -103.7 | 135.3 | 169.3 | 170.5 | 0 | 0 | 0 | 0 | 109.3 | L580 Y584 E585 D835 | L580-S582 WeakPolarHBondContact CB-O 3.28Å; S582-Y584 PolarHBondContact O-N 2.64Å; S582-Y584 WeakPolarHBondContact OG-CD2 3.36Å; S582-Y584 PolarHBondContact OG-N 2.95Å; S582-E585 PolarHBondContact N-OE1 3.01Å; S582-E585 VanDerWaalsContact O-CG 3.25Å; S582-E585 WeakPolarHBondContact O-CG 3.21Å; S582-E585 PolarHBondContact O-N 2.86Å; S582-D835 WeakPolarHBondContact CB-OD2 3.41Å; S582-D835 PolarHBondContact OG-OD2 3.11Å |
| 583 | V | 91.8 | Very high | 91 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -25.5 | 173.7 | 70.1 | 0 | 0 | 0 | 0 | 111.2 | M575 E585 Y586 V732 F902 | M575-V583 HydrophobicContact SD-CG2 3.64Å; V583-E585 PolarHBondContact O-N 3.41Å; V583-Y586 VanDerWaalsContact O-CB 3.24Å; V583-Y586 WeakPolarHBondContact O-CB 3.25Å; V583-Y586 PolarHBondContact O-N 3.08Å; V583-V732 HydrophobicContact CB-CB 4.4Å; V583-V732 HydrophobicContact CB-CG1 3.93Å; V583-V732 HydrophobicContact CG2-CB 4.47Å; V583-V732 HydrophobicContact CG2-CG1 3.84Å; V583-V732 HydrophobicContact CG2-CG2 4.26Å; V583-F902 HydrophobicContact CG1-CZ 4.06Å; V583-F902 HydrophobicContact CG2-CE1 3.82Å; V583-F902 HydrophobicContact CG2-CZ 4.12Å |
| 584 | Y | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -12.4 | -179.2 | -52 | -69 | 0 | 0 | 0 | 113.7 | S582 Y586 L587 R596 A599 F603 T727 V831 F902 | S582-Y584 PolarHBondContact O-N 2.64Å; S582-Y584 WeakPolarHBondContact OG-CD2 3.36Å; S582-Y584 PolarHBondContact OG-N 2.95Å; Y584-Y586 PolarHBondContact O-N 3.47Å; Y584-L587 HydrophobicContact CD1-CD1 4.28Å; Y584-L587 WeakPolarHBondContact O-CB 3.31Å; Y584-L587 PolarHBondContact O-N 3.23Å; Y584-R596 WeakPolarHBondContact O-CG 3.25Å; Y584-A599 HydrophobicContact CD1-CB 3.79Å; Y584-A599 HydrophobicContact CE1-CB 4.36Å; Y584-F603 HydrophobicContact CE1-CB 4.17Å; Y584-F603 HydrophobicContact CE2-CB 3.68Å; Y584-F603 AromaticContact CE2-CD1 3.71Å; Y584-F603 HydrophobicContact CE2-CD1 3.71Å; Y584-F603 HydrophobicContact CE2-CD2 4.23Å; Y584-F603 HydrophobicContact CE2-CE1 4.43Å; Y584-F603 AromaticContact CE2-CG 3.58Å; Y584-F603 HydrophobicContact CE2-CG 3.58Å; Y584-F603 AromaticContact CZ-CD2 3.89Å; Y584-F603 AromaticContact CZ-CG 3.52Å; Y584-F603 WeakPolarHBondContact OH-CB 3.44Å; Y584-F603 WeakPolarHBondContact OH-CD2 3.34Å; Y584-F603 WeakPolarHBondContact OH-CG 3.27Å; Y584-T727 PolarHBondContact OH-O 2.86Å; Y584-V831 HydrophobicContact CD2-CG1 4.21Å; Y584-V831 HydrophobicContact CD2-CG2 4.1Å; Y584-V831 HydrophobicContact CE2-CG1 4.35Å; Y584-V831 HydrophobicContact CE2-CG2 3.91Å; Y584-F902 AromaticContact CD1-CE2 3.66Å; Y584-F902 HydrophobicContact CD1-CE2 3.66Å; Y584-F902 AromaticContact CD1-CZ 3.61Å; Y584-F902 HydrophobicContact CD1-CZ 3.61Å; Y584-F902 AromaticContact CE1-CE2 3.61Å; Y584-F902 HydrophobicContact CE1-CE2 3.61Å; Y584-F902 AromaticContact CE1-CZ 3.86Å; Y584-F902 HydrophobicContact CE1-CZ 3.86Å |
| 585 | E | 93.1 | Very high | 91.1 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 12% | 0.117 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.9 | -30.3 | 172.2 | -45.6 | -162.1 | -114 | 0 | 0 | 111.5 | L580 I581 S582 V583 L587 E588 M589 R596 Q834 | L580-E585 HydrophobicContact CB-CB 4.48Å; L580-E585 HydrophobicContact CD1-CB 3.96Å; L580-E585 HydrophobicContact CD2-CB 3.92Å; L580-E585 HydrophobicContact CG-CB 4.31Å; I581-E585 PolarHBondContact N-OE1 3.43Å; S582-E585 PolarHBondContact N-OE1 3.01Å; S582-E585 VanDerWaalsContact O-CG 3.25Å; S582-E585 WeakPolarHBondContact O-CG 3.21Å; S582-E585 PolarHBondContact O-N 2.86Å; V583-E585 PolarHBondContact O-N 3.41Å; E585-L587 PolarHBondContact O-N 2.98Å; E585-E588 PolarHBondContact O-N 2.98Å; E585-E588 VanDerWaalsContact O-N 3.09Å; E585-M589 WeakPolarHBondContact O-CG 3.45Å; E585-M589 PolarHBondContact O-N 3.47Å; E585-M589 VanDerWaalsContact O-N 3.12Å; E585-R596 VanDerWaalsContact CD-NH2 3.32Å; E585-R596 IonicContact OE2-CZ 3.43Å; E585-R596 IonicContact OE2-NH1 3.13Å; E585-R596 PolarHBondContact OE2-NH1 3.41Å; E585-R596 VanDerWaalsContact OE2-NH1 3.13Å; E585-R596 IonicContact OE2-NH2 3.63Å; E585-R596 PolarHBondContact OE2-NH2 3.46Å; E585-Q834 HydrophobicContact CG-CG 4.36Å; E585-Q834 WeakPolarHBondContact OE1-CG 3.44Å; E585-Q834 PolarHBondContact OE1-NE2 3.43Å; E585-Q834 PolarHBondContact OE2-NE2 3.07Å |
| 586 | Y | 94.2 | Very high | 91.4 | Very high | 21 Ų | 21 | 41 Ų | 41 | 8% | 0.082 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -52.8 | -40.6 | 171.9 | 169.4 | -104.6 | 0 | 0 | 0 | 112.2 | L578 V583 Y584 E588 M589 R590 F902 G905 M906 | L578-Y586 HydrophobicContact CD1-CD2 3.77Å; V583-Y586 VanDerWaalsContact O-CB 3.24Å; V583-Y586 WeakPolarHBondContact O-CB 3.25Å; V583-Y586 PolarHBondContact O-N 3.08Å; Y584-Y586 PolarHBondContact O-N 3.47Å; Y586-E588 VanDerWaalsContact C-N 3.32Å; Y586-E588 PolarHBondContact O-N 2.86Å; Y586-M589 PolarHBondContact O-N 2.89Å; Y586-R590 HydrophobicContact CE1-CB 4.47Å; Y586-R590 HydrophobicContact CE2-CB 4.46Å; Y586-R590 WeakPolarHBondContact O-CB 3.15Å; Y586-R590 PolarHBondContact O-N 3.24Å; Y586-F902 AromaticContact CD1-CD1 3.71Å; Y586-F902 HydrophobicContact CD1-CD1 3.71Å; Y586-F902 AromaticContact CD1-CE1 3.71Å; Y586-F902 HydrophobicContact CD1-CE1 3.71Å; Y586-F902 HydrophobicContact CE1-CD1 4.14Å; Y586-F902 HydrophobicContact CG-CE1 4.43Å; Y586-G905 PolarHBondContact OH-O 2.98Å; Y586-M906 HydrophobicContact CE1-CE 4.32Å; Y586-M906 HydrophobicContact CE1-CG 3.91Å; Y586-M906 HydrophobicContact CE2-CG 4.47Å; Y586-M906 WeakPolarHBondContact OH-CA 3Å; Y586-M906 VanDerWaalsContact OH-CG 3.28Å; Y586-M906 WeakPolarHBondContact OH-CG 3.49Å; Y586-M906 PolarHBondContact OH-N 3.24Å |
| 587 | L | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.9 | -27.3 | -178.4 | -61 | 177.8 | 0 | 0 | 0 | 112.6 | Y584 E585 F591 N592 I595 A599 V901 F902 | Y584-L587 HydrophobicContact CD1-CD1 4.28Å; Y584-L587 WeakPolarHBondContact O-CB 3.31Å; Y584-L587 PolarHBondContact O-N 3.23Å; E585-L587 PolarHBondContact O-N 2.98Å; L587-F591 HydrophobicContact CD2-CD2 4.28Å; L587-F591 HydrophobicContact CD2-CE2 4.35Å; L587-F591 WeakPolarHBondContact O-CA 3.38Å; L587-F591 VanDerWaalsContact O-CB 3.32Å; L587-F591 WeakPolarHBondContact O-CB 3.3Å; L587-F591 PolarHBondContact O-N 3.1Å; L587-N592 PolarHBondContact O-N 3.36Å; L587-I595 HydrophobicContact CB-CG2 4.15Å; L587-I595 HydrophobicContact CD1-CG2 4.26Å; L587-A599 HydrophobicContact CD1-CB 3.38Å; L587-V901 HydrophobicContact CD1-CG1 3.89Å; L587-V901 HydrophobicContact CD2-CG1 3.75Å; L587-V901 HydrophobicContact CG-CG1 4.48Å; L587-F902 HydrophobicContact CD1-CD2 4.42Å; L587-F902 HydrophobicContact CD1-CE2 3.83Å; L587-F902 HydrophobicContact CD1-CZ 3.99Å; L587-F902 HydrophobicContact CD2-CD1 4.41Å; L587-F902 HydrophobicContact CD2-CE1 4.4Å; L587-F902 HydrophobicContact CD2-CZ 4.48Å; L587-F902 HydrophobicContact CG-CE1 4.29Å; L587-F902 HydrophobicContact CG-CE2 4.29Å; L587-F902 HydrophobicContact CG-CZ 4.05Å |
| 588 | E | 94.5 | Very high | 91.9 | Very high | 73 Ų | 73 | 44.1 Ų | 44.1 | 34% | 0.341 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -71.1 | -41 | 170.3 | 176.9 | 173.6 | -166.3 | 0 | 0 | 111.3 | E585 Y586 R590 I593 R596 | E585-E588 PolarHBondContact O-N 2.98Å; E585-E588 VanDerWaalsContact O-N 3.09Å; Y586-E588 VanDerWaalsContact C-N 3.32Å; Y586-E588 PolarHBondContact O-N 2.86Å; E588-R590 VanDerWaalsContact C-N 3.34Å; E588-I593 HydrophobicContact CG-CB 4.41Å; E588-R596 HydrophobicContact CB-CB 3.92Å; E588-R596 HydrophobicContact CB-CG 4.39Å; E588-R596 WeakPolarHBondContact OE2-CD 3.41Å; E588-R596 IonicContact OE2-CZ 3.37Å; E588-R596 IonicContact OE2-NE 3.45Å; E588-R596 IonicContact OE2-NH1 2.67Å; E588-R596 PolarHBondContact OE2-NH1 3.39Å |
| 589 | M | 93.4 | Very high | 92.2 | Very high | 129 Ų | 129 | 41.3 Ų | 41.3 | 64% | 0.635 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -65.4 | -37.4 | 177.2 | -63.3 | 176.3 | 67.1 | 0 | 0 | 112.2 | L578 L580 E585 Y586 | L578-M589 HydrophobicContact CD2-CE 4.08Å; L580-M589 HydrophobicContact CD2-SD 4.36Å; E585-M589 WeakPolarHBondContact O-CG 3.45Å; E585-M589 PolarHBondContact O-N 3.47Å; E585-M589 VanDerWaalsContact O-N 3.12Å; Y586-M589 PolarHBondContact O-N 2.89Å |
| 590 | R | 94 | Very high | 93 | Very high | 70 Ų | 70 | 37 Ų | 37 | 26% | 0.264 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -84.3 | -36.8 | -178.3 | 177.1 | 58.4 | -174.5 | 91.7 | 1 | 113.5 | Y586 E588 G905 L908 P909 I911 | Y586-R590 HydrophobicContact CE1-CB 4.47Å; Y586-R590 HydrophobicContact CE2-CB 4.46Å; Y586-R590 WeakPolarHBondContact O-CB 3.15Å; Y586-R590 PolarHBondContact O-N 3.24Å; E588-R590 VanDerWaalsContact C-N 3.34Å; R590-G905 WeakPolarHBondContact CD-O 3.36Å; R590-G905 PolarHBondContact NE-O 3.21Å; R590-G905 VanDerWaalsContact NE-O 3.08Å; R590-L908 PolarHBondContact NH2-O 3.42Å; R590-L908 VanDerWaalsContact NH2-O 3.16Å; R590-P909 PolarHBondContact NH2-O 3.12Å; R590-I911 PolarHBondContact NH1-O 3.29Å; R590-I911 PolarHBondContact NH2-O 2.94Å |
| 591 | F | 94.2 | Very high | 93.4 | Very high | 22 Ų | 22 | 43 Ų | 43 | 10% | 0.096 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | -94 | -174.9 | -60.9 | -64.9 | 0 | 0 | 0 | 110.2 | L587 I595 I911 S913 I916 | L587-F591 HydrophobicContact CD2-CD2 4.28Å; L587-F591 HydrophobicContact CD2-CE2 4.35Å; L587-F591 WeakPolarHBondContact O-CA 3.38Å; L587-F591 VanDerWaalsContact O-CB 3.32Å; L587-F591 WeakPolarHBondContact O-CB 3.3Å; L587-F591 PolarHBondContact O-N 3.1Å; F591-I595 HydrophobicContact CB-CB 4.24Å; F591-I595 HydrophobicContact CB-CG1 4.08Å; F591-I595 HydrophobicContact CD2-CG2 4.21Å; F591-I911 HydrophobicContact CE1-CB 4.45Å; F591-I911 HydrophobicContact CE1-CG2 4Å; F591-I911 WeakPolarHBondContact CE1-O 3.45Å; F591-I911 HydrophobicContact CZ-CG2 4.19Å; F591-S913 WeakPolarHBondContact CA-OG 3.18Å; F591-S913 WeakPolarHBondContact CB-OG 3.09Å; F591-S913 PolarHBondContact O-OG 2.99Å; F591-I916 HydrophobicContact CD1-CG2 4.01Å; F591-I916 HydrophobicContact CD2-CG2 3.99Å; F591-I916 HydrophobicContact CE1-CB 4.35Å; F591-I916 HydrophobicContact CE1-CG2 4.08Å; F591-I916 HydrophobicContact CE2-CB 4.39Å; F591-I916 HydrophobicContact CE2-CG1 4.01Å; F591-I916 HydrophobicContact CE2-CG2 4.05Å; F591-I916 HydrophobicContact CG-CG2 3.96Å; F591-I916 HydrophobicContact CZ-CB 4.15Å; F591-I916 HydrophobicContact CZ-CG1 4.03Å; F591-I916 HydrophobicContact CZ-CG2 4.09Å |
| 592 | N | 93.8 | Very high | 93.8 | Very high | 57 Ų | 57 | 42.2 Ų | 42.2 | 31% | 0.305 | 20% | 0.197 | S | C | . | . | trans | -163.1 | 173.9 | 177.1 | 64.1 | 33.9 | 0 | 0 | 0 | 111.5 | L587 V594 I595 R596 S913 | L587-N592 PolarHBondContact O-N 3.36Å; N592-V594 PolarHBondContact O-N 3.29Å; N592-V594 WeakPolarHBondContact OD1-CA 3.2Å; N592-V594 WeakPolarHBondContact OD1-CB 3.4Å; N592-V594 PolarHBondContact OD1-N 2.91Å; N592-I595 PolarHBondContact O-N 3.5Å; N592-I595 PolarHBondContact OD1-N 3.49Å; N592-I595 VanDerWaalsContact OD1-N 3.08Å; N592-R596 PolarHBondContact O-N 3.48Å; N592-S913 WeakPolarHBondContact ND2-CB 3.4Å | ||
| 593 | I | 93.7 | Very high | 94 | Very high | 53 Ų | 53 | 42.2 Ų | 42.2 | 27% | 0.272 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60 | -26.2 | 179.5 | -172.7 | 57.9 | 0 | 0 | 0 | 114 | E588 R597 | E588-I593 HydrophobicContact CG-CB 4.41Å; I593-R597 HydrophobicContact CD1-CG 4.39Å; I593-R597 WeakPolarHBondContact O-CG 3.43Å; I593-R597 PolarHBondContact O-N 3.03Å; I593-R597 VanDerWaalsContact O-N 3.08Å |
| 594 | V | 93.8 | Very high | 94.1 | Very high | 82 Ų | 82 | 42.7 Ų | 42.7 | 50% | 0.497 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.1 | -47.3 | -179.9 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | N592 R596 R597 M598 | N592-V594 PolarHBondContact O-N 3.29Å; N592-V594 WeakPolarHBondContact OD1-CA 3.2Å; N592-V594 WeakPolarHBondContact OD1-CB 3.4Å; N592-V594 PolarHBondContact OD1-N 2.91Å; V594-R596 PolarHBondContact O-N 3.46Å; V594-R597 PolarHBondContact O-N 2.89Å; V594-M598 HydrophobicContact CG1-CG 4.48Å; V594-M598 HydrophobicContact CG1-SD 3.95Å; V594-M598 WeakPolarHBondContact O-CG 3.4Å; V594-M598 PolarHBondContact O-N 3.43Å |
| 595 | I | 94.6 | Very high | 94 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 177.8 | -58.5 | -52.1 | 0 | 0 | 0 | 111.3 | L587 F591 N592 R597 M598 A599 V901 S913 I916 G917 M920 | L587-I595 HydrophobicContact CB-CG2 4.15Å; L587-I595 HydrophobicContact CD1-CG2 4.26Å; F591-I595 HydrophobicContact CB-CB 4.24Å; F591-I595 HydrophobicContact CB-CG1 4.08Å; F591-I595 HydrophobicContact CD2-CG2 4.21Å; N592-I595 PolarHBondContact O-N 3.5Å; N592-I595 PolarHBondContact OD1-N 3.49Å; N592-I595 VanDerWaalsContact OD1-N 3.08Å; I595-R597 PolarHBondContact O-N 3.13Å; I595-M598 HydrophobicContact CD1-SD 4.24Å; I595-M598 PolarHBondContact O-N 2.89Å; I595-A599 WeakPolarHBondContact O-CB 3.37Å; I595-A599 PolarHBondContact O-N 2.85Å; I595-V901 HydrophobicContact CG2-CG1 4.23Å; I595-S913 WeakPolarHBondContact CD1-O 3.39Å; I595-I916 HydrophobicContact CD1-CG2 3.84Å; I595-I916 HydrophobicContact CG1-CG2 3.78Å; I595-I916 HydrophobicContact CG2-CG2 4.12Å; I595-G917 VanDerWaalsContact CD1-CA 3.42Å; I595-M920 HydrophobicContact CD1-CE 4.43Å; I595-M920 HydrophobicContact CG2-CE 4.38Å |
| 596 | R | 94.8 | Very high | 94 | Very high | 15 Ų | 15 | 45.9 Ų | 45.9 | 6% | 0.057 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -53.4 | -50.4 | 172.5 | 171.6 | 175.4 | 175.4 | 167.2 | -0.7 | 111.8 | Y584 E585 E588 N592 V594 A599 S600 Q834 D835 | Y584-R596 WeakPolarHBondContact O-CG 3.25Å; E585-R596 VanDerWaalsContact CD-NH2 3.32Å; E585-R596 IonicContact OE2-CZ 3.43Å; E585-R596 IonicContact OE2-NH1 3.13Å; E585-R596 PolarHBondContact OE2-NH1 3.41Å; E585-R596 VanDerWaalsContact OE2-NH1 3.13Å; E585-R596 IonicContact OE2-NH2 3.63Å; E585-R596 PolarHBondContact OE2-NH2 3.46Å; E588-R596 HydrophobicContact CB-CB 3.92Å; E588-R596 HydrophobicContact CB-CG 4.39Å; E588-R596 WeakPolarHBondContact OE2-CD 3.41Å; E588-R596 IonicContact OE2-CZ 3.37Å; E588-R596 IonicContact OE2-NE 3.45Å; E588-R596 IonicContact OE2-NH1 2.67Å; E588-R596 PolarHBondContact OE2-NH1 3.39Å; N592-R596 PolarHBondContact O-N 3.48Å; V594-R596 PolarHBondContact O-N 3.46Å; R596-A599 PolarHBondContact O-N 2.97Å; R596-S600 WeakPolarHBondContact O-CB 3.16Å; R596-S600 PolarHBondContact O-N 3.5Å; R596-S600 PolarHBondContact O-OG 3.42Å; R596-S600 VanDerWaalsContact O-OG 3.12Å; R596-Q834 PolarHBondContact NH2-O 3.05Å; R596-D835 IonicContact CZ-OD1 2.86Å; R596-D835 IonicContact NE-OD1 2.72Å; R596-D835 PolarHBondContact NE-OD1 3.09Å; R596-D835 IonicContact NH2-OD1 3.02Å; R596-D835 PolarHBondContact NH2-OD1 3.27Å |
| 597 | R | 93.5 | Very high | 93.9 | Very high | 125 Ų | 125 | 44.9 Ų | 44.9 | 47% | 0.472 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.2 | -40 | -177.7 | -75.4 | -179.2 | -178.3 | 167 | 9.5 | 113.3 | I593 V594 I595 S600 F601 | I593-R597 HydrophobicContact CD1-CG 4.39Å; I593-R597 WeakPolarHBondContact O-CG 3.43Å; I593-R597 PolarHBondContact O-N 3.03Å; I593-R597 VanDerWaalsContact O-N 3.08Å; V594-R597 PolarHBondContact O-N 2.89Å; I595-R597 PolarHBondContact O-N 3.13Å; R597-S600 WeakPolarHBondContact CA-OG 3.41Å; R597-S600 PolarHBondContact O-OG 2.83Å; R597-F601 VanDerWaalsContact O-CB 3.31Å; R597-F601 WeakPolarHBondContact O-CB 3.28Å; R597-F601 PolarHBondContact O-N 3Å |
| 598 | M | 94.1 | Very high | 93.9 | Very high | 45 Ų | 45 | 47 Ų | 47 | 22% | 0.222 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.3 | -50.3 | 176.3 | -70.8 | 170.1 | 75.9 | 0 | 0 | 110.3 | V594 I595 F601 I602 M920 L921 | V594-M598 HydrophobicContact CG1-CG 4.48Å; V594-M598 HydrophobicContact CG1-SD 3.95Å; V594-M598 WeakPolarHBondContact O-CG 3.4Å; V594-M598 PolarHBondContact O-N 3.43Å; I595-M598 HydrophobicContact CD1-SD 4.24Å; I595-M598 PolarHBondContact O-N 2.89Å; M598-F601 PolarHBondContact O-N 3.47Å; M598-I602 VanDerWaalsContact O-CG1 3.28Å; M598-I602 WeakPolarHBondContact O-CG1 3.48Å; M598-I602 PolarHBondContact O-N 2.95Å; M598-M920 HydrophobicContact CB-CE 3.34Å; M598-M920 HydrophobicContact CB-SD 4.39Å; M598-M920 HydrophobicContact CE-CE 3.77Å; M598-M920 HydrophobicContact CG-CE 4.26Å; M598-M920 HydrophobicContact SD-CE 3.98Å; M598-L921 HydrophobicContact CE-CD1 3.69Å; M598-L921 HydrophobicContact CE-CD2 3.68Å; M598-L921 HydrophobicContact CE-CG 3.49Å; M598-L921 VanDerWaalsContact CE-CG 3.49Å |
| 599 | A | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y584 L587 I595 R596 F601 I602 F603 L898 M920 | Y584-A599 HydrophobicContact CD1-CB 3.79Å; Y584-A599 HydrophobicContact CE1-CB 4.36Å; L587-A599 HydrophobicContact CD1-CB 3.38Å; I595-A599 WeakPolarHBondContact O-CB 3.37Å; I595-A599 PolarHBondContact O-N 2.85Å; R596-A599 PolarHBondContact O-N 2.97Å; A599-F601 VanDerWaalsContact C-N 3.29Å; A599-F601 PolarHBondContact O-N 2.99Å; A599-I602 PolarHBondContact O-N 3.13Å; A599-F603 PolarHBondContact O-N 2.79Å; A599-L898 HydrophobicContact CB-CD2 3.77Å; A599-M920 HydrophobicContact CB-SD 4.12Å |
| 600 | S | 95.2 | Very high | 93.6 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -36.4 | 177.4 | 64.9 | 0 | 0 | 0 | 0 | 112.3 | R596 R597 C604 D835 | R596-S600 WeakPolarHBondContact O-CB 3.16Å; R596-S600 PolarHBondContact O-N 3.5Å; R596-S600 PolarHBondContact O-OG 3.42Å; R596-S600 VanDerWaalsContact O-OG 3.12Å; R597-S600 WeakPolarHBondContact CA-OG 3.41Å; R597-S600 PolarHBondContact O-OG 2.83Å; S600-C604 PolarHBondContact O-N 2.9Å; S600-C604 PolarHBondContact O-SG 3.13Å; S600-D835 WeakPolarHBondContact CB-OD2 3.43Å |
| 601 | F | 93.7 | Very high | 93.5 | Very high | 149 Ų | 149 | 37.3 Ų | 37.3 | 65% | 0.654 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -68.5 | -43.9 | 176.8 | 179.8 | -95.8 | 0 | 0 | 0 | 111.8 | R597 M598 A599 F603 C604 F605 | R597-F601 VanDerWaalsContact O-CB 3.31Å; R597-F601 WeakPolarHBondContact O-CB 3.28Å; R597-F601 PolarHBondContact O-N 3Å; M598-F601 PolarHBondContact O-N 3.47Å; A599-F601 VanDerWaalsContact C-N 3.29Å; A599-F601 PolarHBondContact O-N 2.99Å; F601-F603 VanDerWaalsContact C-N 3.32Å; F601-F603 PolarHBondContact O-N 3.11Å; F601-C604 PolarHBondContact O-N 2.98Å; F601-F605 WeakPolarHBondContact O-CB 3.41Å; F601-F605 PolarHBondContact O-N 3.13Å |
| 602 | I | 92.5 | Very high | 93.4 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.051 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 176.3 | -68.4 | 167.6 | 0 | 0 | 0 | 110.2 | M598 A599 F605 E606 V894 L898 M920 L924 | M598-I602 VanDerWaalsContact O-CG1 3.28Å; M598-I602 WeakPolarHBondContact O-CG1 3.48Å; M598-I602 PolarHBondContact O-N 2.95Å; A599-I602 PolarHBondContact O-N 3.13Å; I602-F605 WeakPolarHBondContact O-CB 3.27Å; I602-F605 PolarHBondContact O-N 3.35Å; I602-E606 PolarHBondContact O-N 3.38Å; I602-V894 HydrophobicContact CG2-CG1 3.39Å; I602-L898 HydrophobicContact CB-CD2 4.1Å; I602-L898 HydrophobicContact CB-CG 4.44Å; I602-L898 HydrophobicContact CG2-CD1 3.91Å; I602-L898 HydrophobicContact CG2-CD2 3.96Å; I602-L898 HydrophobicContact CG2-CG 3.78Å; I602-M920 HydrophobicContact CD1-CG 3.77Å; I602-M920 HydrophobicContact CD1-SD 3.7Å; I602-L924 HydrophobicContact CD1-CD2 3.88Å; I602-L924 HydrophobicContact CG1-CD2 3.92Å; I602-L924 HydrophobicContact CG2-CD1 4.39Å |
| 603 | F | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61 | -47.4 | 173.3 | 166.4 | -98.7 | 0 | 0 | 0 | 112.8 | Y584 A599 F601 F605 E606 M607 Q729 A827 V831 L898 | Y584-F603 HydrophobicContact CE1-CB 4.17Å; Y584-F603 HydrophobicContact CE2-CB 3.68Å; Y584-F603 AromaticContact CE2-CD1 3.71Å; Y584-F603 HydrophobicContact CE2-CD1 3.71Å; Y584-F603 HydrophobicContact CE2-CD2 4.23Å; Y584-F603 HydrophobicContact CE2-CE1 4.43Å; Y584-F603 AromaticContact CE2-CG 3.58Å; Y584-F603 HydrophobicContact CE2-CG 3.58Å; Y584-F603 AromaticContact CZ-CD2 3.89Å; Y584-F603 AromaticContact CZ-CG 3.52Å; Y584-F603 WeakPolarHBondContact OH-CB 3.44Å; Y584-F603 WeakPolarHBondContact OH-CD2 3.34Å; Y584-F603 WeakPolarHBondContact OH-CG 3.27Å; A599-F603 PolarHBondContact O-N 2.79Å; F601-F603 VanDerWaalsContact C-N 3.32Å; F601-F603 PolarHBondContact O-N 3.11Å; F603-F605 PolarHBondContact O-N 3.4Å; F603-E606 WeakPolarHBondContact O-CB 3.32Å; F603-E606 PolarHBondContact O-N 3.31Å; F603-M607 HydrophobicContact CD1-CG 4.36Å; F603-M607 HydrophobicContact CD2-CG 3.84Å; F603-M607 HydrophobicContact CE1-CG 3.85Å; F603-M607 HydrophobicContact CE2-CE 4.3Å; F603-M607 HydrophobicContact CE2-CG 3.27Å; F603-M607 HydrophobicContact CE2-SD 3.75Å; F603-M607 HydrophobicContact CG-CG 4.37Å; F603-M607 HydrophobicContact CZ-CB 4.47Å; F603-M607 HydrophobicContact CZ-CG 3.27Å; F603-M607 HydrophobicContact CZ-SD 4.08Å; F603-M607 WeakPolarHBondContact O-CG 3.48Å; F603-M607 PolarHBondContact O-N 3.48Å; F603-Q729 HydrophobicContact CE1-CB 4.02Å; F603-Q729 HydrophobicContact CE2-CB 3.93Å; F603-Q729 HydrophobicContact CZ-CB 3.47Å; F603-Q729 VanDerWaalsContact CZ-CB 3.47Å; F603-A827 HydrophobicContact CZ-CB 4.17Å; F603-V831 HydrophobicContact CD1-CB 4.21Å; F603-V831 HydrophobicContact CD1-CG1 4.02Å; F603-V831 HydrophobicContact CD1-CG2 3.88Å; F603-V831 HydrophobicContact CE1-CB 4.07Å; F603-V831 HydrophobicContact CE1-CG1 4.39Å; F603-V831 HydrophobicContact CE1-CG2 3.6Å; F603-L898 HydrophobicContact CB-CD1 4.03Å |
| 604 | C | 95 | Very high | 93.2 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 7% | 0.068 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.7 | -41.4 | 177.8 | -73.4 | 0 | 0 | 0 | 0 | 111 | S600 F601 M607 F608 L828 | S600-C604 PolarHBondContact O-N 2.9Å; S600-C604 PolarHBondContact O-SG 3.13Å; F601-C604 PolarHBondContact O-N 2.98Å; C604-M607 PolarHBondContact O-N 3.16Å; C604-F608 HydrophobicContact CB-CE2 4.41Å; C604-F608 WeakPolarHBondContact O-CD2 3.38Å; C604-F608 WeakPolarHBondContact O-CG 3.46Å; C604-F608 PolarHBondContact O-N 3.04Å; C604-L828 HydrophobicContact CB-CD2 4.01Å |
| 605 | F | 91 | Very high | 93 | Very high | 90 Ų | 90 | 27.5 Ų | 27.5 | 40% | 0.395 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -61.3 | -47.8 | 175.3 | 178.6 | -101.5 | 0 | 0 | 0 | 112.1 | F601 I602 F603 M607 F608 L609 V894 | F601-F605 WeakPolarHBondContact O-CB 3.41Å; F601-F605 PolarHBondContact O-N 3.13Å; I602-F605 WeakPolarHBondContact O-CB 3.27Å; I602-F605 PolarHBondContact O-N 3.35Å; F603-F605 PolarHBondContact O-N 3.4Å; F605-M607 VanDerWaalsContact C-N 3.35Å; F605-M607 PolarHBondContact O-N 3.4Å; F605-F608 PolarHBondContact O-N 3.33Å; F605-L609 HydrophobicContact CD1-CD1 4.25Å; F605-L609 HydrophobicContact CE1-CD1 3.63Å; F605-L609 HydrophobicContact CE2-CD1 4.32Å; F605-L609 HydrophobicContact CZ-CD1 3.67Å; F605-L609 HydrophobicContact CZ-CG 4.44Å; F605-L609 PolarHBondContact O-N 3.05Å; F605-V894 HydrophobicContact CD1-CG1 4.36Å; F605-V894 HydrophobicContact CD1-CG2 4.31Å; F605-V894 HydrophobicContact CE1-CG2 4.31Å |
| 606 | E | 93.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.009 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.2 | -49.6 | 174.4 | -170 | -173.7 | 143.1 | 0 | 0 | 111.7 | I602 F603 L609 Y610 I890 F891 V894 G895 | I602-E606 PolarHBondContact O-N 3.38Å; F603-E606 WeakPolarHBondContact O-CB 3.32Å; F603-E606 PolarHBondContact O-N 3.31Å; E606-L609 PolarHBondContact O-N 3.16Å; E606-Y610 WeakPolarHBondContact O-CB 3.35Å; E606-Y610 PolarHBondContact O-N 3.48Å; E606-I890 HydrophobicContact CG-CG2 3.77Å; E606-F891 WeakPolarHBondContact OE1-CD1 3.28Å; E606-F891 WeakPolarHBondContact OE1-CE1 3.49Å; E606-V894 HydrophobicContact CB-CB 3.96Å; E606-V894 HydrophobicContact CB-CG1 3.63Å; E606-V894 HydrophobicContact CG-CB 3.91Å; E606-V894 HydrophobicContact CG-CG1 4.14Å; E606-G895 WeakPolarHBondContact OE2-CA 3.36Å; E606-G895 PolarHBondContact OE2-N 3.12Å |
| 607 | M | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.8 | -35.9 | -176.1 | -68.5 | -56.1 | 92 | 0 | 0 | 112.8 | F603 C604 F605 L609 Y610 I611 N728 M730 L828 F891 | F603-M607 HydrophobicContact CD1-CG 4.36Å; F603-M607 HydrophobicContact CD2-CG 3.84Å; F603-M607 HydrophobicContact CE1-CG 3.85Å; F603-M607 HydrophobicContact CE2-CE 4.3Å; F603-M607 HydrophobicContact CE2-CG 3.27Å; F603-M607 HydrophobicContact CE2-SD 3.75Å; F603-M607 HydrophobicContact CG-CG 4.37Å; F603-M607 HydrophobicContact CZ-CB 4.47Å; F603-M607 HydrophobicContact CZ-CG 3.27Å; F603-M607 HydrophobicContact CZ-SD 4.08Å; F603-M607 WeakPolarHBondContact O-CG 3.48Å; F603-M607 PolarHBondContact O-N 3.48Å; C604-M607 PolarHBondContact O-N 3.16Å; F605-M607 VanDerWaalsContact C-N 3.35Å; F605-M607 PolarHBondContact O-N 3.4Å; M607-L609 VanDerWaalsContact C-N 3.28Å; M607-L609 PolarHBondContact O-N 3.49Å; M607-Y610 HydrophobicContact CE-CD1 4.32Å; M607-Y610 HydrophobicContact SD-CD1 4.46Å; M607-I611 VanDerWaalsContact O-CB 3.27Å; M607-I611 WeakPolarHBondContact O-CB 3.43Å; M607-I611 WeakPolarHBondContact O-CG1 3.28Å; M607-I611 PolarHBondContact O-N 2.88Å; M607-N728 WeakPolarHBondContact CE-ND2 3.2Å; M607-N728 PolarHBondContact SD-ND2 3.37Å; M607-N728 VanDerWaalsContact SD-ND2 3.44Å; M607-M730 HydrophobicContact CE-CE 4.42Å; M607-M730 HydrophobicContact SD-CE 3.69Å; M607-M730 HydrophobicContact SD-CG 4.16Å; M607-M730 HydrophobicContact SD-SD 4.01Å; M607-L828 HydrophobicContact CB-CD1 4.04Å; M607-L828 HydrophobicContact CB-CD2 3.81Å; M607-L828 HydrophobicContact CB-CG 3.86Å; M607-F891 HydrophobicContact CE-CE1 4.18Å |
| 608 | F | 93.2 | Very high | 92.2 | Very high | 44 Ų | 44 | 21.3 Ų | 21.3 | 19% | 0.193 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.7 | -39.9 | 172.6 | -80.1 | -54.8 | 0 | 0 | 0 | 111.5 | C604 F605 S612 L828 C865 V868 I869 L872 | C604-F608 HydrophobicContact CB-CE2 4.41Å; C604-F608 WeakPolarHBondContact O-CD2 3.38Å; C604-F608 WeakPolarHBondContact O-CG 3.46Å; C604-F608 PolarHBondContact O-N 3.04Å; F605-F608 PolarHBondContact O-N 3.33Å; F608-S612 WeakPolarHBondContact O-CB 3.34Å; F608-S612 PolarHBondContact O-OG 3.15Å; F608-L828 HydrophobicContact CD1-CD1 4.15Å; F608-L828 HydrophobicContact CE1-CD1 3.98Å; F608-L828 HydrophobicContact CE2-CD2 4.28Å; F608-L828 HydrophobicContact CZ-CD1 4.38Å; F608-L828 HydrophobicContact CZ-CD2 4.35Å; F608-C865 HydrophobicContact CE1-CB 4.1Å; F608-C865 HydrophobicContact CZ-CB 4.47Å; F608-V868 HydrophobicContact CD1-CB 4.4Å; F608-V868 HydrophobicContact CD1-CG1 3.75Å; F608-V868 HydrophobicContact CE1-CB 3.97Å; F608-V868 HydrophobicContact CE1-CG1 3.69Å; F608-V868 HydrophobicContact CZ-CG1 4.39Å; F608-I869 HydrophobicContact CD1-CD1 4.24Å; F608-I869 HydrophobicContact CD1-CG1 3.77Å; F608-I869 HydrophobicContact CE1-CD1 4.49Å; F608-I869 HydrophobicContact CE1-CG1 4.26Å; F608-L872 HydrophobicContact CB-CD1 3.89Å |
| 609 | L | 90 | Very high | 91.9 | Very high | 64 Ų | 64 | 19.1 Ų | 19.1 | 34% | 0.335 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -71.1 | -52.3 | 176.1 | -64 | 179.5 | 0 | 0 | 0 | 111.9 | F605 E606 M607 S612 V613 I890 | F605-L609 HydrophobicContact CD1-CD1 4.25Å; F605-L609 HydrophobicContact CE1-CD1 3.63Å; F605-L609 HydrophobicContact CE2-CD1 4.32Å; F605-L609 HydrophobicContact CZ-CD1 3.67Å; F605-L609 HydrophobicContact CZ-CG 4.44Å; F605-L609 PolarHBondContact O-N 3.05Å; E606-L609 PolarHBondContact O-N 3.16Å; M607-L609 VanDerWaalsContact C-N 3.28Å; M607-L609 PolarHBondContact O-N 3.49Å; L609-S612 WeakPolarHBondContact O-CB 3.49Å; L609-S612 PolarHBondContact O-N 3.46Å; L609-V613 PolarHBondContact O-N 3.09Å; L609-I890 HydrophobicContact CB-CD1 3.95Å; L609-I890 HydrophobicContact CB-CG1 4.42Å; L609-I890 HydrophobicContact CB-CG2 4.34Å |
| 610 | Y | 92.1 | Very high | 91.5 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 2% | 0.02 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.6 | -49.7 | -174.7 | 171.2 | -115.4 | 0 | 0 | 0 | 112.3 | E606 M607 S612 V613 V614 M730 T820 A887 F891 | E606-Y610 WeakPolarHBondContact O-CB 3.35Å; E606-Y610 PolarHBondContact O-N 3.48Å; M607-Y610 HydrophobicContact CE-CD1 4.32Å; M607-Y610 HydrophobicContact SD-CD1 4.46Å; Y610-S612 PolarHBondContact O-N 3.08Å; Y610-V613 WeakPolarHBondContact O-CB 3.35Å; Y610-V613 PolarHBondContact O-N 3.15Å; Y610-V614 HydrophobicContact CD1-CG2 4.37Å; Y610-V614 HydrophobicContact CD2-CG2 4.14Å; Y610-V614 HydrophobicContact CE1-CG2 3.88Å; Y610-V614 HydrophobicContact CE2-CG2 3.62Å; Y610-V614 HydrophobicContact CG-CG2 4.49Å; Y610-V614 VanDerWaalsContact CZ-CG2 3.47Å; Y610-V614 WeakPolarHBondContact O-CG2 3.41Å; Y610-V614 PolarHBondContact O-N 3.07Å; Y610-M730 HydrophobicContact CD1-CE 4.01Å; Y610-M730 HydrophobicContact CE1-CE 3.7Å; Y610-T820 HydrophobicContact CE1-CG2 3.9Å; Y610-A887 HydrophobicContact CD2-CB 4.14Å; Y610-A887 HydrophobicContact CE2-CB 3.95Å; Y610-F891 HydrophobicContact CD1-CE2 4.27Å; Y610-F891 AromaticContact CD1-CZ 3.84Å; Y610-F891 HydrophobicContact CD1-CZ 3.84Å; Y610-F891 HydrophobicContact CD2-CD2 4.47Å; Y610-F891 AromaticContact CD2-CE2 3.68Å; Y610-F891 HydrophobicContact CD2-CE2 3.68Å; Y610-F891 HydrophobicContact CD2-CZ 4.09Å; Y610-F891 HydrophobicContact CE1-CE2 4.11Å; Y610-F891 AromaticContact CE1-CZ 3.75Å; Y610-F891 HydrophobicContact CE1-CZ 3.75Å; Y610-F891 HydrophobicContact CE2-CD2 4.49Å; Y610-F891 AromaticContact CE2-CE2 3.49Å; Y610-F891 HydrophobicContact CE2-CE2 3.49Å; Y610-F891 VanDerWaalsContact CE2-CE2 3.49Å; Y610-F891 HydrophobicContact CE2-CZ 4.01Å; Y610-F891 HydrophobicContact CG-CE2 4.07Å; Y610-F891 HydrophobicContact CG-CZ 4.01Å; Y610-F891 AromaticContact CZ-CE2 3.71Å; Y610-F891 AromaticContact CZ-CZ 3.83Å |
| 611 | I | 93.2 | Very high | 91 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.5 | -24.7 | -176.1 | -55 | -64 | 0 | 0 | 0 | 111.4 | M607 V614 L615 M730 T820 L821 F825 I869 | M607-I611 VanDerWaalsContact O-CB 3.27Å; M607-I611 WeakPolarHBondContact O-CB 3.43Å; M607-I611 WeakPolarHBondContact O-CG1 3.28Å; M607-I611 PolarHBondContact O-N 2.88Å; I611-V614 PolarHBondContact O-N 2.99Å; I611-L615 PolarHBondContact O-N 3.47Å; I611-M730 HydrophobicContact CD1-SD 3.79Å; I611-T820 HydrophobicContact CD1-CG2 4.08Å; I611-L821 HydrophobicContact CG2-CD2 3.4Å; I611-L821 HydrophobicContact CG2-CG 4.43Å; I611-F825 HydrophobicContact CG2-CD1 4.23Å; I611-F825 HydrophobicContact CG2-CE1 3.77Å; I611-I869 HydrophobicContact CB-CD1 3.89Å; I611-I869 HydrophobicContact CB-CG1 4.47Å; I611-I869 HydrophobicContact CB-CG2 4.33Å; I611-I869 HydrophobicContact CG2-CD1 3.8Å; I611-I869 HydrophobicContact CG2-CG2 3.93Å |
| 612 | S | 91.2 | Very high | 90.6 | Very high | 3 Ų | 3 | 12.1 Ų | 12.1 | 2% | 0.021 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -67.5 | -39.4 | 170.9 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | F608 L609 Y610 V614 L615 Y616 I869 L872 | F608-S612 WeakPolarHBondContact O-CB 3.34Å; F608-S612 PolarHBondContact O-OG 3.15Å; L609-S612 WeakPolarHBondContact O-CB 3.49Å; L609-S612 PolarHBondContact O-N 3.46Å; Y610-S612 PolarHBondContact O-N 3.08Å; S612-V614 VanDerWaalsContact C-N 3.35Å; S612-L615 PolarHBondContact O-N 3.33Å; S612-Y616 PolarHBondContact O-N 3Å; S612-I869 PolarHBondContact OG-O 3.41Å; S612-L872 WeakPolarHBondContact OG-CB 3.27Å |
| 613 | V | 90.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 13 Ų | 13 | 3% | 0.03 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65.3 | -42 | 173.7 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | V537 L609 Y610 L615 Y616 A617 V876 I883 I886 I890 | V537-V613 HydrophobicContact CG2-CG1 4.23Å; L609-V613 PolarHBondContact O-N 3.09Å; Y610-V613 WeakPolarHBondContact O-CB 3.35Å; Y610-V613 PolarHBondContact O-N 3.15Å; V613-L615 VanDerWaalsContact C-N 3.34Å; V613-L615 PolarHBondContact O-N 3.47Å; V613-Y616 PolarHBondContact O-N 2.86Å; V613-A617 PolarHBondContact O-N 2.98Å; V613-V876 HydrophobicContact CB-CG1 4.44Å; V613-V876 HydrophobicContact CG1-CG1 4.45Å; V613-V876 HydrophobicContact CG2-CG1 4.11Å; V613-V876 HydrophobicContact CG2-CG2 3.89Å; V613-I883 HydrophobicContact CG1-CG2 3.56Å; V613-I886 HydrophobicContact CG1-CG2 4.38Å; V613-I886 HydrophobicContact CG2-CG2 3.75Å; V613-I890 HydrophobicContact CG2-CD1 4Å |
| 614 | V | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 176.1 | 173.8 | 0 | 0 | 0 | 0 | 112 | V537 Y610 I611 S612 Y616 P618 T820 L821 | V537-V614 HydrophobicContact CG2-CB 4.43Å; V537-V614 HydrophobicContact CG2-CG2 3.94Å; Y610-V614 HydrophobicContact CD1-CG2 4.37Å; Y610-V614 HydrophobicContact CD2-CG2 4.14Å; Y610-V614 HydrophobicContact CE1-CG2 3.88Å; Y610-V614 HydrophobicContact CE2-CG2 3.62Å; Y610-V614 HydrophobicContact CG-CG2 4.49Å; Y610-V614 VanDerWaalsContact CZ-CG2 3.47Å; Y610-V614 WeakPolarHBondContact O-CG2 3.41Å; Y610-V614 PolarHBondContact O-N 3.07Å; I611-V614 PolarHBondContact O-N 2.99Å; S612-V614 VanDerWaalsContact C-N 3.35Å; V614-Y616 VanDerWaalsContact C-N 3.29Å; V614-Y616 PolarHBondContact O-N 3.46Å; V614-P618 WeakPolarHBondContact O-CD 3.33Å; V614-T820 HydrophobicContact CB-CG2 4.29Å; V614-T820 HydrophobicContact CG1-CG2 3.7Å; V614-T820 HydrophobicContact CG2-CG2 3.82Å; V614-L821 HydrophobicContact CG1-CG 4.23Å |
| 615 | L | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.9 | -31.9 | 177.9 | -179.9 | 55.2 | 0 | 0 | 0 | 112.7 | I611 S612 V613 P618 T634 T637 L821 I869 L870 A873 | I611-L615 PolarHBondContact O-N 3.47Å; S612-L615 PolarHBondContact O-N 3.33Å; V613-L615 VanDerWaalsContact C-N 3.34Å; V613-L615 PolarHBondContact O-N 3.47Å; L615-P618 WeakPolarHBondContact O-CD 3.5Å; L615-P618 WeakPolarHBondContact O-CG 3.38Å; L615-T634 HydrophobicContact CG-CG2 4.4Å; L615-T637 HydrophobicContact CD1-CG2 3.75Å; L615-L821 HydrophobicContact CB-CD1 4.43Å; L615-L821 HydrophobicContact CB-CD2 3.74Å; L615-L821 HydrophobicContact CD1-CD1 3.7Å; L615-L821 HydrophobicContact CD1-CD2 4.26Å; L615-L821 HydrophobicContact CG-CD2 4.44Å; L615-I869 HydrophobicContact CB-CG2 4.5Å; L615-I869 HydrophobicContact CD2-CG2 4.19Å; L615-L870 HydrophobicContact CD2-CB 4.22Å; L615-L870 HydrophobicContact CD2-CD1 4.16Å; L615-A873 HydrophobicContact CB-CB 3.99Å; L615-A873 HydrophobicContact CD2-CB 3.72Å; L615-A873 HydrophobicContact CG-CB 3.93Å |
| 616 | Y | 88.4 | Confident | 88.6 | Confident | 13 Ų | 13 | 10.6 Ų | 10.6 | 5% | 0.051 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -72.2 | -35.9 | -179.8 | 179.8 | -94 | 0 | 0 | 0 | 113.2 | S612 V613 V614 A619 L620 I630 K786 V876 I883 | S612-Y616 PolarHBondContact O-N 3Å; V613-Y616 PolarHBondContact O-N 2.86Å; V614-Y616 VanDerWaalsContact C-N 3.29Å; V614-Y616 PolarHBondContact O-N 3.46Å; Y616-A619 WeakPolarHBondContact O-CB 3.19Å; Y616-A619 PolarHBondContact O-N 2.96Å; Y616-L620 HydrophobicContact CE1-CB 4.14Å; Y616-L620 HydrophobicContact CE1-CD2 4.17Å; Y616-L620 PolarHBondContact O-N 3.17Å; Y616-I630 HydrophobicContact CD2-CD1 4.36Å; Y616-I630 HydrophobicContact CE1-CD1 4.34Å; Y616-I630 HydrophobicContact CE2-CD1 3.43Å; Y616-I630 VanDerWaalsContact CE2-CD1 3.43Å; Y616-I630 HydrophobicContact CE2-CG1 4.09Å; Y616-I630 VanDerWaalsContact CZ-CD1 3.41Å; Y616-I630 WeakPolarHBondContact OH-CD1 3.42Å; Y616-K786 WeakPolarHBondContact OH-CE 3.42Å; Y616-K786 PolarHBondContact OH-NZ 2.89Å; Y616-V876 HydrophobicContact CD1-CG1 3.91Å; Y616-V876 HydrophobicContact CD2-CB 4.36Å; Y616-V876 HydrophobicContact CD2-CG1 4.48Å; Y616-V876 HydrophobicContact CG-CB 4.09Å; Y616-V876 HydrophobicContact CG-CG1 3.81Å; Y616-I883 HydrophobicContact CD1-CD1 4.14Å; Y616-I883 HydrophobicContact CE1-CD1 4.26Å |
| 617 | A | 87.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.9 | -52.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A536 V537 L540 V613 A619 L620 A621 I883 | A536-A617 HydrophobicContact CB-CB 3.66Å; V537-A617 HydrophobicContact CG2-CB 4.15Å; L540-A617 HydrophobicContact CD1-CB 4.3Å; L540-A617 WeakPolarHBondContact CD1-O 3.2Å; V613-A617 PolarHBondContact O-N 2.98Å; A617-A619 VanDerWaalsContact C-N 3.26Å; A617-A619 PolarHBondContact O-N 2.91Å; A617-L620 PolarHBondContact O-N 3.06Å; A617-A621 PolarHBondContact O-N 2.92Å; A617-I883 HydrophobicContact CB-CD1 4.32Å; A617-I883 HydrophobicContact CB-CG2 4.34Å |
| 618 | P | 88.4 | Confident | 87 | Confident | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.2 | -33.9 | 176.3 | 27.7 | -33.8 | 0 | 0 | 0 | 111.5 | A536 V614 L615 L620 A621 L622 T637 I813 Y814 | A536-P618 HydrophobicContact CB-CB 4.37Å; A536-P618 HydrophobicContact CB-CG 4.38Å; V614-P618 WeakPolarHBondContact O-CD 3.33Å; L615-P618 WeakPolarHBondContact O-CD 3.5Å; L615-P618 WeakPolarHBondContact O-CG 3.38Å; P618-L620 PolarHBondContact O-N 2.86Å; P618-A621 PolarHBondContact O-N 3.24Å; P618-L622 PolarHBondContact O-N 3.44Å; P618-T637 HydrophobicContact CG-CG2 4.03Å; P618-I813 HydrophobicContact CB-CG2 3.98Å; P618-Y814 HydrophobicContact CB-CD2 3.86Å; P618-Y814 HydrophobicContact CB-CE1 4.46Å; P618-Y814 HydrophobicContact CB-CE2 3.75Å; P618-Y814 HydrophobicContact CB-CG 4.23Å; P618-Y814 VanDerWaalsContact O-CE2 3.26Å; P618-Y814 WeakPolarHBondContact O-CE2 3.14Å |
| 619 | A | 88.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.2 | -42.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y616 A617 L622 S623 I630 S633 T634 | Y616-A619 WeakPolarHBondContact O-CB 3.19Å; Y616-A619 PolarHBondContact O-N 2.96Å; A617-A619 VanDerWaalsContact C-N 3.26Å; A617-A619 PolarHBondContact O-N 2.91Å; A619-L622 PolarHBondContact O-N 2.93Å; A619-S623 WeakPolarHBondContact O-CB 3.47Å; A619-S623 PolarHBondContact O-N 2.82Å; A619-S623 PolarHBondContact O-OG 3.17Å; A619-I630 HydrophobicContact CB-CG1 4.44Å; A619-S633 WeakPolarHBondContact CA-OG 3.29Å; A619-S633 PolarHBondContact O-OG 3.22Å; A619-S633 VanDerWaalsContact O-OG 3.08Å; A619-T634 WeakPolarHBondContact CB-OG1 3.23Å |
| 620 | L | 86 | Confident | 86.3 | Confident | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 173.6 | 178.7 | 65.6 | 0 | 0 | 0 | 111.3 | Y616 A617 P618 S623 S624 I630 D788 Q789 I883 | Y616-L620 HydrophobicContact CE1-CB 4.14Å; Y616-L620 HydrophobicContact CE1-CD2 4.17Å; Y616-L620 PolarHBondContact O-N 3.17Å; A617-L620 PolarHBondContact O-N 3.06Å; P618-L620 PolarHBondContact O-N 2.86Å; L620-S623 PolarHBondContact O-N 3.26Å; L620-S623 PolarHBondContact O-OG 3.44Å; L620-S624 PolarHBondContact O-N 2.92Å; L620-S624 VanDerWaalsContact O-N 3.09Å; L620-S624 PolarHBondContact O-OG 2.87Å; L620-I630 HydrophobicContact CB-CD1 3.89Å; L620-I630 HydrophobicContact CD1-CD1 3.57Å; L620-I630 HydrophobicContact CG-CD1 4.35Å; L620-D788 HydrophobicContact CD2-CB 3.94Å; L620-Q789 HydrophobicContact CD1-CG 3.93Å; L620-Q789 HydrophobicContact CD2-CG 4.29Å; L620-Q789 HydrophobicContact CG-CG 4.22Å; L620-I883 HydrophobicContact CD2-CD1 3.83Å |
| 621 | A | 86.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.8 | -50.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L540 A617 P618 S623 S624 V625 P792 I813 | L540-A621 HydrophobicContact CD1-CB 4.31Å; A617-A621 PolarHBondContact O-N 2.92Å; P618-A621 PolarHBondContact O-N 3.24Å; A621-S623 VanDerWaalsContact C-N 3.33Å; A621-S623 PolarHBondContact O-N 2.79Å; A621-S624 PolarHBondContact O-N 3.2Å; A621-V625 PolarHBondContact O-N 3.5Å; A621-P792 HydrophobicContact CB-CG 4.34Å; A621-I813 HydrophobicContact CB-CB 4.49Å; A621-I813 HydrophobicContact CB-CD1 3.61Å; A621-I813 HydrophobicContact CB-CG2 3.93Å |
| 622 | L | 85 | Confident | 85.5 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 179.8 | -172.8 | 69 | 0 | 0 | 0 | 112 | F486 P618 A619 S624 V625 T626 M628 S633 V810 Y814 | F486-L622 HydrophobicContact CE1-CD1 3.9Å; F486-L622 HydrophobicContact CE1-CD2 4.22Å; F486-L622 HydrophobicContact CZ-CD1 3.89Å; F486-L622 HydrophobicContact CZ-CD2 4.07Å; P618-L622 PolarHBondContact O-N 3.44Å; A619-L622 PolarHBondContact O-N 2.93Å; L622-S624 PolarHBondContact O-N 3.01Å; L622-V625 PolarHBondContact O-N 3.47Å; L622-T626 HydrophobicContact CD1-CG2 3.59Å; L622-T626 HydrophobicContact CG-CG2 4.17Å; L622-T626 WeakPolarHBondContact O-CB 3.43Å; L622-T626 PolarHBondContact O-N 2.98Å; L622-T626 PolarHBondContact O-OG1 3.35Å; L622-M628 HydrophobicContact CD2-SD 4.03Å; L622-S633 WeakPolarHBondContact CB-OG 3.37Å; L622-V810 HydrophobicContact CD1-CG1 3.68Å; L622-Y814 HydrophobicContact CB-CE2 3.76Å; L622-Y814 WeakPolarHBondContact CB-OH 3.44Å; L622-Y814 HydrophobicContact CD2-CE2 4.35Å; L622-Y814 VanDerWaalsContact CD2-OH 3.25Å; L622-Y814 WeakPolarHBondContact CD2-OH 3.35Å; L622-Y814 HydrophobicContact CG-CE2 4.46Å |
| 623 | S | 85.4 | Confident | 85.2 | Confident | 27 Ų | 27 | 25 Ų | 25 | 19% | 0.189 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.4 | -15.7 | 177.2 | 67.3 | 0 | 0 | 0 | 0 | 114.3 | A619 L620 A621 M628 | A619-S623 WeakPolarHBondContact O-CB 3.47Å; A619-S623 PolarHBondContact O-N 2.82Å; A619-S623 PolarHBondContact O-OG 3.17Å; L620-S623 PolarHBondContact O-N 3.26Å; L620-S623 PolarHBondContact O-OG 3.44Å; A621-S623 VanDerWaalsContact C-N 3.33Å; A621-S623 PolarHBondContact O-N 2.79Å; S623-M628 WeakPolarHBondContact CA-O 3.29Å; S623-M628 WeakPolarHBondContact CB-O 3.36Å |
| 624 | S | 80.9 | Confident | 85 | Confident | 29 Ų | 29 | 24.9 Ų | 24.9 | 20% | 0.203 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -89.8 | -14.1 | 177.5 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | L620 A621 L622 Q789 | L620-S624 PolarHBondContact O-N 2.92Å; L620-S624 VanDerWaalsContact O-N 3.09Å; L620-S624 PolarHBondContact O-OG 2.87Å; A621-S624 PolarHBondContact O-N 3.2Å; L622-S624 PolarHBondContact O-N 3.01Å; S624-Q789 PolarHBondContact OG-NE2 3.46Å |
| 625 | V | 82.8 | Confident | 84.8 | Confident | 11 Ų | 11 | 28.6 Ų | 28.6 | 7% | 0.067 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -121.6 | -11.6 | -176.8 | -52.3 | 0 | 0 | 0 | 0 | 113.4 | F478 A621 L622 P792 M796 V810 | F478-V625 HydrophobicContact CD2-CB 4.45Å; F478-V625 HydrophobicContact CD2-CG2 4.29Å; F478-V625 HydrophobicContact CE2-CG2 4.17Å; A621-V625 PolarHBondContact O-N 3.5Å; L622-V625 PolarHBondContact O-N 3.47Å; V625-P792 HydrophobicContact CG1-CB 4.01Å; V625-M796 HydrophobicContact CB-CE 4.21Å; V625-M796 HydrophobicContact CB-CG 3.74Å; V625-M796 HydrophobicContact CB-SD 3.7Å; V625-M796 HydrophobicContact CG1-CG 3.44Å; V625-M796 VanDerWaalsContact CG1-CG 3.44Å; V625-M796 HydrophobicContact CG1-SD 3.85Å; V625-V810 HydrophobicContact CG2-CG2 3.49Å; V625-V810 VanDerWaalsContact CG2-CG2 3.49Å |
| 626 | T | 82.5 | Confident | 84.3 | Confident | 10 Ų | 10 | 31.4 Ų | 31.4 | 6% | 0.061 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -125.4 | 157.6 | 174.8 | 69.1 | 0 | 0 | 0 | 0 | 109.5 | F478 Y483 L622 M628 | F478-T626 HydrophobicContact CD1-CG2 4.28Å; F478-T626 HydrophobicContact CG-CG2 4.28Å; Y483-T626 HydrophobicContact CE1-CG2 4.34Å; L622-T626 HydrophobicContact CD1-CG2 3.59Å; L622-T626 HydrophobicContact CG-CG2 4.17Å; L622-T626 WeakPolarHBondContact O-CB 3.43Å; L622-T626 PolarHBondContact O-N 2.98Å; L622-T626 PolarHBondContact O-OG1 3.35Å; T626-M628 PolarHBondContact O-N 3.28Å; T626-M628 WeakPolarHBondContact OG1-CB 3.5Å; T626-M628 PolarHBondContact OG1-N 2.96Å |
| 627 | P | 75.9 | Confident | 84 | Confident | 126 Ų | 126 | 30.9 Ų | 30.9 | 82% | 0.818 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -69.4 | 5.5 | 175.1 | 27.4 | -34 | 0 | 0 | 0 | 113.9 | ||
| 628 | M | 77.3 | Confident | 83.8 | Confident | 64 Ų | 64 | 30.9 Ų | 30.9 | 32% | 0.315 | 19% | 0.187 | S | C | . | . | trans | -72.3 | 133.3 | 178.2 | -65.8 | -175.1 | 69.2 | 0 | 0 | 111.2 | L622 S623 T626 T632 V636 | L622-M628 HydrophobicContact CD2-SD 4.03Å; S623-M628 WeakPolarHBondContact CA-O 3.29Å; S623-M628 WeakPolarHBondContact CB-O 3.36Å; T626-M628 PolarHBondContact O-N 3.28Å; T626-M628 WeakPolarHBondContact OG1-CB 3.5Å; T626-M628 PolarHBondContact OG1-N 2.96Å; M628-T632 HydrophobicContact CE-CG2 3.58Å; M628-V636 HydrophobicContact CE-CG2 4.24Å | ||
| 629 | S | 85.2 | Confident | 83.6 | Confident | 59 Ų | 59 | 34.8 Ų | 34.8 | 41% | 0.413 | 21% | 0.207 | S | C | . | . | trans | -60.8 | 147.2 | 171.4 | 83.7 | 0 | 0 | 0 | 0 | 110.9 | T631 T632 S633 | S629-T631 PolarHBondContact O-N 2.97Å; S629-T631 VanDerWaalsContact O-N 3.14Å; S629-T631 PolarHBondContact OG-N 2.86Å; S629-T632 PolarHBondContact O-N 3.41Å; S629-T632 VanDerWaalsContact O-N 3.07Å; S629-T632 PolarHBondContact OG-N 3.43Å; S629-T632 PolarHBondContact OG-OG1 3.18Å; S629-S633 WeakPolarHBondContact O-CB 3.49Å; S629-S633 PolarHBondContact O-N 3.21Å | ||
| 630 | I | 82.4 | Confident | 83.2 | Confident | 46 Ų | 46 | 38.2 Ų | 38.2 | 24% | 0.236 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.7 | -30.9 | 175.2 | -163 | 163.4 | 0 | 0 | 0 | 112.1 | Y616 A619 L620 T634 | Y616-I630 HydrophobicContact CD2-CD1 4.36Å; Y616-I630 HydrophobicContact CE1-CD1 4.34Å; Y616-I630 HydrophobicContact CE2-CD1 3.43Å; Y616-I630 VanDerWaalsContact CE2-CD1 3.43Å; Y616-I630 HydrophobicContact CE2-CG1 4.09Å; Y616-I630 VanDerWaalsContact CZ-CD1 3.41Å; Y616-I630 WeakPolarHBondContact OH-CD1 3.42Å; A619-I630 HydrophobicContact CB-CG1 4.44Å; L620-I630 HydrophobicContact CB-CD1 3.89Å; L620-I630 HydrophobicContact CD1-CD1 3.57Å; L620-I630 HydrophobicContact CG-CD1 4.35Å; I630-T634 VanDerWaalsContact O-CB 3.31Å; I630-T634 WeakPolarHBondContact O-CB 3.4Å; I630-T634 PolarHBondContact O-N 2.85Å; I630-T634 PolarHBondContact O-OG1 3.01Å |
| 631 | T | 84.4 | Confident | 83 | Confident | 62 Ų | 62 | 38 Ų | 38 | 38% | 0.38 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.2 | -50.3 | 175.8 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | S629 S633 T634 L635 F874 | S629-T631 PolarHBondContact O-N 2.97Å; S629-T631 VanDerWaalsContact O-N 3.14Å; S629-T631 PolarHBondContact OG-N 2.86Å; T631-S633 VanDerWaalsContact C-N 3.32Å; T631-S633 PolarHBondContact O-N 2.9Å; T631-T634 PolarHBondContact O-N 3.1Å; T631-L635 WeakPolarHBondContact O-CB 3.44Å; T631-L635 PolarHBondContact O-N 3.44Å; T631-F874 HydrophobicContact CG2-CD1 4.26Å; T631-F874 HydrophobicContact CG2-CE1 3.56Å; T631-F874 HydrophobicContact CG2-CZ 4.31Å |
| 632 | T | 83.4 | Confident | 82.9 | Confident | 63 Ų | 63 | 38.4 Ų | 38.4 | 39% | 0.387 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 177.1 | -49.5 | 0 | 0 | 0 | 0 | 110.4 | M628 S629 T634 L635 V636 | M628-T632 HydrophobicContact CE-CG2 3.58Å; S629-T632 PolarHBondContact O-N 3.41Å; S629-T632 VanDerWaalsContact O-N 3.07Å; S629-T632 PolarHBondContact OG-N 3.43Å; S629-T632 PolarHBondContact OG-OG1 3.18Å; T632-T634 PolarHBondContact O-N 2.95Å; T632-L635 PolarHBondContact O-N 3.23Å; T632-V636 HydrophobicContact CG2-CG2 4.46Å; T632-V636 WeakPolarHBondContact O-CG2 3.42Å; T632-V636 PolarHBondContact O-N 2.91Å |
| 633 | S | 85 | Confident | 82.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 177.7 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | A619 L622 S629 T631 L635 V636 T637 Y814 | A619-S633 WeakPolarHBondContact CA-OG 3.29Å; A619-S633 PolarHBondContact O-OG 3.22Å; A619-S633 VanDerWaalsContact O-OG 3.08Å; L622-S633 WeakPolarHBondContact CB-OG 3.37Å; S629-S633 WeakPolarHBondContact O-CB 3.49Å; S629-S633 PolarHBondContact O-N 3.21Å; T631-S633 VanDerWaalsContact C-N 3.32Å; T631-S633 PolarHBondContact O-N 2.9Å; S633-L635 PolarHBondContact O-N 2.97Å; S633-V636 PolarHBondContact O-N 2.84Å; S633-T637 VanDerWaalsContact O-CB 3.3Å; S633-T637 WeakPolarHBondContact O-CB 3.43Å; S633-T637 PolarHBondContact O-N 3.39Å; S633-T637 PolarHBondContact O-OG1 3.25Å; S633-Y814 PolarHBondContact OG-OH 3.37Å; S633-Y814 VanDerWaalsContact OG-OH 3.12Å |
| 634 | T | 86.7 | Confident | 81.9 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -44.3 | 176.2 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | L615 A619 I630 T631 T632 G638 L870 A873 F874 | L615-T634 HydrophobicContact CG-CG2 4.4Å; A619-T634 WeakPolarHBondContact CB-OG1 3.23Å; I630-T634 VanDerWaalsContact O-CB 3.31Å; I630-T634 WeakPolarHBondContact O-CB 3.4Å; I630-T634 PolarHBondContact O-N 2.85Å; I630-T634 PolarHBondContact O-OG1 3.01Å; T631-T634 PolarHBondContact O-N 3.1Å; T632-T634 PolarHBondContact O-N 2.95Å; T634-G638 PolarHBondContact O-N 3.42Å; T634-L870 HydrophobicContact CG2-CD1 4.12Å; T634-A873 HydrophobicContact CG2-CB 3.9Å; T634-F874 HydrophobicContact CG2-CD1 4.38Å; T634-F874 HydrophobicContact CG2-CE1 4.05Å; T634-F874 HydrophobicContact CG2-CZ 4.24Å |
| 635 | L | 87.7 | Confident | 81.6 | Confident | 79 Ų | 79 | 42.2 Ų | 42.2 | 41% | 0.414 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.5 | -51.3 | 178.4 | -173.1 | 72.2 | 0 | 0 | 0 | 111.7 | T631 T632 S633 T637 G638 L639 L870 F874 | T631-L635 WeakPolarHBondContact O-CB 3.44Å; T631-L635 PolarHBondContact O-N 3.44Å; T632-L635 PolarHBondContact O-N 3.23Å; S633-L635 PolarHBondContact O-N 2.97Å; L635-T637 PolarHBondContact O-N 2.97Å; L635-G638 PolarHBondContact O-N 3.32Å; L635-L639 HydrophobicContact CD1-CD1 4.06Å; L635-L639 HydrophobicContact CD1-CG 4.37Å; L635-L639 HydrophobicContact CG-CD1 3.91Å; L635-L639 HydrophobicContact CG-CG 4.49Å; L635-L639 WeakPolarHBondContact O-CB 3.4Å; L635-L639 VanDerWaalsContact O-CG 3.26Å; L635-L639 WeakPolarHBondContact O-CG 3.3Å; L635-L639 PolarHBondContact O-N 3.3Å; L635-L870 HydrophobicContact CD1-CD2 4.11Å; L635-F874 HydrophobicContact CB-CZ 4.46Å |
| 636 | V | 81.7 | Confident | 81.3 | Confident | 59 Ų | 59 | 42.9 Ų | 42.9 | 36% | 0.358 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.5 | -48.4 | -179.9 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | M628 T632 S633 G638 L640 | M628-V636 HydrophobicContact CE-CG2 4.24Å; T632-V636 HydrophobicContact CG2-CG2 4.46Å; T632-V636 WeakPolarHBondContact O-CG2 3.42Å; T632-V636 PolarHBondContact O-N 2.91Å; S633-V636 PolarHBondContact O-N 2.84Å; V636-G638 PolarHBondContact O-N 2.86Å; V636-L640 HydrophobicContact CG1-CD1 3.7Å; V636-L640 HydrophobicContact CG1-CG 4.45Å; V636-L640 WeakPolarHBondContact O-CB 3.49Å; V636-L640 VanDerWaalsContact O-CG 3.27Å; V636-L640 WeakPolarHBondContact O-CG 3.38Å; V636-L640 PolarHBondContact O-N 3.42Å |
| 637 | T | 82 | Confident | 80.7 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -45 | -179 | -49.1 | 0 | 0 | 0 | 0 | 111.5 | L615 P618 S633 L635 A641 Y814 L818 | L615-T637 HydrophobicContact CD1-CG2 3.75Å; P618-T637 HydrophobicContact CG-CG2 4.03Å; S633-T637 VanDerWaalsContact O-CB 3.3Å; S633-T637 WeakPolarHBondContact O-CB 3.43Å; S633-T637 PolarHBondContact O-N 3.39Å; S633-T637 PolarHBondContact O-OG1 3.25Å; L635-T637 PolarHBondContact O-N 2.97Å; T637-A641 WeakPolarHBondContact O-CB 3.35Å; T637-A641 PolarHBondContact O-N 3.49Å; T637-Y814 HydrophobicContact CG2-CD1 4.1Å; T637-Y814 HydrophobicContact CG2-CE1 3.57Å; T637-Y814 WeakPolarHBondContact OG1-CE1 3.46Å; T637-Y814 VanDerWaalsContact OG1-CZ 3.32Å; T637-Y814 PolarHBondContact OG1-OH 2.84Å; T637-L818 HydrophobicContact CG2-CD2 4.42Å |
| 638 | G | 84.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.8 | -40 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T634 L635 V636 T642 | T634-G638 PolarHBondContact O-N 3.42Å; L635-G638 PolarHBondContact O-N 3.32Å; V636-G638 PolarHBondContact O-N 2.86Å; G638-T642 VanDerWaalsContact O-CB 3.27Å; G638-T642 WeakPolarHBondContact O-CB 3.35Å; G638-T642 PolarHBondContact O-N 3.45Å; G638-T642 PolarHBondContact O-OG1 2.83Å |
| 639 | L | 83.9 | Confident | 80 | Confident | 83 Ų | 83 | 35.9 Ų | 35.9 | 44% | 0.435 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.6 | -45.6 | 175.8 | -70.7 | 176.3 | 0 | 0 | 0 | 111.5 | L635 T642 F643 L867 L870 | L635-L639 HydrophobicContact CD1-CD1 4.06Å; L635-L639 HydrophobicContact CD1-CG 4.37Å; L635-L639 HydrophobicContact CG-CD1 3.91Å; L635-L639 HydrophobicContact CG-CG 4.49Å; L635-L639 WeakPolarHBondContact O-CB 3.4Å; L635-L639 VanDerWaalsContact O-CG 3.26Å; L635-L639 WeakPolarHBondContact O-CG 3.3Å; L635-L639 PolarHBondContact O-N 3.3Å; L639-T642 PolarHBondContact O-N 3.23Å; L639-F643 VanDerWaalsContact O-CB 3.31Å; L639-F643 WeakPolarHBondContact O-CB 3.49Å; L639-F643 PolarHBondContact O-N 3.19Å; L639-L867 HydrophobicContact CD2-CD2 4.29Å; L639-L870 HydrophobicContact CD2-CD2 3.99Å; L639-L870 HydrophobicContact CG-CD2 4.14Å |
| 640 | L | 78.8 | Confident | 79.3 | Confident | 72 Ų | 72 | 33.6 Ų | 33.6 | 38% | 0.377 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60 | -49 | 176 | -75.2 | 170.8 | 0 | 0 | 0 | 111.2 | L490 V636 T642 F643 Y644 | L490-L640 HydrophobicContact CD1-CD1 4.26Å; V636-L640 HydrophobicContact CG1-CD1 3.7Å; V636-L640 HydrophobicContact CG1-CG 4.45Å; V636-L640 WeakPolarHBondContact O-CB 3.49Å; V636-L640 VanDerWaalsContact O-CG 3.27Å; V636-L640 WeakPolarHBondContact O-CG 3.38Å; V636-L640 PolarHBondContact O-N 3.42Å; L640-T642 VanDerWaalsContact C-N 3.32Å; L640-T642 PolarHBondContact O-N 3.01Å; L640-F643 PolarHBondContact O-N 2.87Å; L640-Y644 WeakPolarHBondContact O-CD1 3.38Å; L640-Y644 PolarHBondContact O-N 2.62Å; L640-Y644 VanDerWaalsContact O-N 3.13Å |
| 641 | A | 81.1 | Confident | 78.9 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.9 | -44.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T637 Y644 T645 L818 L821 F825 | T637-A641 WeakPolarHBondContact O-CB 3.35Å; T637-A641 PolarHBondContact O-N 3.49Å; A641-Y644 HydrophobicContact CB-CE1 4.37Å; A641-T645 VanDerWaalsContact O-CB 3.23Å; A641-T645 WeakPolarHBondContact O-CB 3.32Å; A641-T645 PolarHBondContact O-N 3.05Å; A641-T645 PolarHBondContact O-OG1 3.25Å; A641-L818 HydrophobicContact CB-CD2 3.67Å; A641-L821 HydrophobicContact CB-CB 4.23Å; A641-L821 HydrophobicContact CB-CD1 3.91Å; A641-F825 HydrophobicContact CB-CE2 4.01Å; A641-F825 HydrophobicContact CB-CZ 4.47Å |
| 642 | T | 84 | Confident | 78.5 | Confident | 7 Ų | 7 | 29.6 Ų | 29.6 | 4% | 0.043 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.3 | -43 | 179.1 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | G638 L639 L640 T646 C863 G866 | G638-T642 VanDerWaalsContact O-CB 3.27Å; G638-T642 WeakPolarHBondContact O-CB 3.35Å; G638-T642 PolarHBondContact O-N 3.45Å; G638-T642 PolarHBondContact O-OG1 2.83Å; L639-T642 PolarHBondContact O-N 3.23Å; L640-T642 VanDerWaalsContact C-N 3.32Å; L640-T642 PolarHBondContact O-N 3.01Å; T642-T646 VanDerWaalsContact O-CB 3.29Å; T642-T646 WeakPolarHBondContact O-CB 3.2Å; T642-T646 PolarHBondContact O-N 3.18Å; T642-T646 VanDerWaalsContact O-N 3.12Å; T642-T646 PolarHBondContact O-OG1 3Å; T642-C863 HydrophobicContact CG2-CB 4.4Å; T642-G866 WeakPolarHBondContact OG1-CA 3.45Å |
| 643 | F | 77.2 | Confident | 78.2 | Confident | 123 Ų | 123 | 26.9 Ų | 26.9 | 54% | 0.539 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -64.3 | -58.7 | -176.7 | -177 | -100.4 | 0 | 0 | 0 | 112.7 | L639 L640 T645 T646 L647 | L639-F643 VanDerWaalsContact O-CB 3.31Å; L639-F643 WeakPolarHBondContact O-CB 3.49Å; L639-F643 PolarHBondContact O-N 3.19Å; L640-F643 PolarHBondContact O-N 2.87Å; F643-T645 VanDerWaalsContact C-N 3.3Å; F643-T645 PolarHBondContact O-N 3.06Å; F643-T646 PolarHBondContact O-N 3.31Å; F643-L647 HydrophobicContact CD1-CD1 4.09Å; F643-L647 HydrophobicContact CE1-CD1 3.53Å; F643-L647 HydrophobicContact CE2-CD1 4.03Å; F643-L647 HydrophobicContact CZ-CD1 3.5Å; F643-L647 PolarHBondContact O-N 3.43Å |
| 644 | Y | 73.6 | Confident | 78 | Confident | 14 Ų | 14 | 27.3 Ų | 27.3 | 6% | 0.055 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.8 | -31.6 | -175.2 | 79.8 | -103 | 0 | 0 | 0 | 112.2 | L640 A641 L647 G648 L818 A822 | L640-Y644 WeakPolarHBondContact O-CD1 3.38Å; L640-Y644 PolarHBondContact O-N 2.62Å; L640-Y644 VanDerWaalsContact O-N 3.13Å; A641-Y644 HydrophobicContact CB-CE1 4.37Å; Y644-L647 PolarHBondContact O-N 3.4Å; Y644-G648 PolarHBondContact O-N 3.42Å; Y644-L818 HydrophobicContact CE1-CD1 4.27Å; Y644-L818 HydrophobicContact CE1-CD2 3.89Å; Y644-L818 HydrophobicContact CE1-CG 4.44Å; Y644-L818 WeakPolarHBondContact OH-CB 3.41Å; Y644-L818 PolarHBondContact OH-O 3.31Å; Y644-A822 HydrophobicContact CE2-CB 3.95Å |
| 645 | T | 74.5 | Confident | 77.7 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.3 | -39.1 | 178.7 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | A641 F643 L647 V653 A822 F825 T826 | A641-T645 VanDerWaalsContact O-CB 3.23Å; A641-T645 WeakPolarHBondContact O-CB 3.32Å; A641-T645 PolarHBondContact O-N 3.05Å; A641-T645 PolarHBondContact O-OG1 3.25Å; F643-T645 VanDerWaalsContact C-N 3.3Å; F643-T645 PolarHBondContact O-N 3.06Å; T645-L647 VanDerWaalsContact C-N 3.25Å; T645-L647 PolarHBondContact O-N 3.13Å; T645-V653 HydrophobicContact CG2-CG2 4.42Å; T645-A822 HydrophobicContact CG2-CB 4.04Å; T645-A822 WeakPolarHBondContact OG1-CA 3.47Å; T645-A822 WeakPolarHBondContact OG1-CB 3.3Å; T645-F825 HydrophobicContact CG2-CB 3.92Å; T645-F825 HydrophobicContact CG2-CD2 4.13Å; T645-T826 HydrophobicContact CG2-CG2 3.89Å |
| 646 | T | 75.9 | Confident | 77.5 | Confident | 25 Ų | 25 | 28.3 Ų | 28.3 | 15% | 0.153 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.4 | -33.4 | 176.9 | -60 | 0 | 0 | 0 | 0 | 111.7 | T642 F643 K859 C863 | T642-T646 VanDerWaalsContact O-CB 3.29Å; T642-T646 WeakPolarHBondContact O-CB 3.2Å; T642-T646 PolarHBondContact O-N 3.18Å; T642-T646 VanDerWaalsContact O-N 3.12Å; T642-T646 PolarHBondContact O-OG1 3Å; F643-T646 PolarHBondContact O-N 3.31Å; T646-K859 HydrophobicContact CG2-CB 3.92Å; T646-K859 WeakPolarHBondContact CG2-O 3.37Å; T646-K859 WeakPolarHBondContact O-CD 3.33Å; T646-K859 WeakPolarHBondContact O-CG 3.33Å; T646-C863 HydrophobicContact CG2-CB 4.08Å |
| 647 | L | 70.6 | Confident | 77.7 | Confident | 48 Ų | 48 | 25.5 Ų | 25.5 | 25% | 0.251 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -83.6 | -46.2 | -179.3 | -67 | 175.3 | 0 | 0 | 0 | 113.4 | I498 G501 F643 Y644 T645 | I498-L647 HydrophobicContact CG1-CD1 4.35Å; G501-L647 WeakPolarHBondContact CA-O 3.48Å; F643-L647 HydrophobicContact CD1-CD1 4.09Å; F643-L647 HydrophobicContact CE1-CD1 3.53Å; F643-L647 HydrophobicContact CE2-CD1 4.03Å; F643-L647 HydrophobicContact CZ-CD1 3.5Å; F643-L647 PolarHBondContact O-N 3.43Å; Y644-L647 PolarHBondContact O-N 3.4Å; T645-L647 VanDerWaalsContact C-N 3.25Å; T645-L647 PolarHBondContact O-N 3.13Å |
| 648 | G | 67.3 | Low | 77.9 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -79.6 | -25 | -164 | 0 | 0 | 0 | 0 | 0 | 116.8 | G497 Q507 Y644 A652 | G497-G648 WeakPolarHBondContact O-CA 3.33Å; Q507-G648 VanDerWaalsContact NE2-C 3.33Å; Q507-G648 PolarHBondContact NE2-O 3.28Å; Y644-G648 PolarHBondContact O-N 3.42Å; G648-A652 WeakPolarHBondContact O-CB 3.49Å |
| 649 | G | 69.8 | Low | 77.9 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | 63.7 | 178 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N651 A652 V653 | G649-N651 PolarHBondContact O-N 3.33Å; G649-A652 PolarHBondContact O-N 3.46Å; G649-V653 WeakPolarHBondContact O-CG2 3.39Å; G649-V653 PolarHBondContact O-N 2.85Å; G649-V653 VanDerWaalsContact O-N 3.13Å |
| 650 | S | 71.3 | Confident | 78 | Confident | 11 Ų | 11 | 26 Ų | 26 | 8% | 0.077 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.4 | -34.8 | -168.2 | 64.1 | 0 | 0 | 0 | 0 | 114.8 | V513 L514 G516 A652 V653 V654 | V513-S650 WeakPolarHBondContact O-CB 3.32Å; V513-S650 PolarHBondContact O-N 2.82Å; V513-S650 PolarHBondContact O-OG 2.77Å; L514-S650 VanDerWaalsContact C-OG 3.32Å; L514-S650 WeakPolarHBondContact O-CB 3.42Å; L514-S650 PolarHBondContact O-OG 3.35Å; G516-S650 VanDerWaalsContact CA-OG 3.29Å; G516-S650 WeakPolarHBondContact CA-OG 3.49Å; G516-S650 PolarHBondContact N-OG 3.44Å; S650-A652 PolarHBondContact O-N 3.44Å; S650-V653 PolarHBondContact O-N 3.15Å; S650-V654 WeakPolarHBondContact O-CG2 3.38Å; S650-V654 PolarHBondContact O-N 2.68Å |
| 651 | N | 73 | Confident | 78.4 | Confident | 21 Ų | 21 | 22.9 Ų | 22.9 | 11% | 0.112 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 176.7 | -75.3 | -34.3 | 0 | 0 | 0 | 112.3 | G516 S517 G649 V653 V654 W655 | G516-N651 WeakPolarHBondContact CA-OD1 3.41Å; S517-N651 PolarHBondContact N-ND2 3.24Å; S517-N651 PolarHBondContact N-OD1 2.62Å; G649-N651 PolarHBondContact O-N 3.33Å; N651-V653 VanDerWaalsContact C-N 3.34Å; N651-V654 PolarHBondContact O-N 2.94Å; N651-W655 PolarHBondContact O-N 3.23Å |
| 652 | A | 75.6 | Confident | 78.7 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.3 | -43.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110 | Y500 G648 G649 S650 V654 W655 T656 | Y500-A652 HydrophobicContact CD2-CB 4.04Å; Y500-A652 HydrophobicContact CG-CB 4.11Å; G648-A652 WeakPolarHBondContact O-CB 3.49Å; G649-A652 PolarHBondContact O-N 3.46Å; S650-A652 PolarHBondContact O-N 3.44Å; A652-V654 VanDerWaalsContact C-N 3.29Å; A652-V654 PolarHBondContact O-N 2.91Å; A652-W655 PolarHBondContact O-N 3.35Å; A652-T656 WeakPolarHBondContact O-CG2 3.45Å; A652-T656 PolarHBondContact O-N 3.4Å; A652-T656 PolarHBondContact O-OG1 3.39Å; A652-T656 VanDerWaalsContact O-OG1 3.12Å |
| 653 | V | 77.7 | Confident | 78.9 | Confident | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.03 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.5 | -40.3 | 177.2 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | T645 G649 S650 N651 T656 S657 A822 T826 | T645-V653 HydrophobicContact CG2-CG2 4.42Å; G649-V653 WeakPolarHBondContact O-CG2 3.39Å; G649-V653 PolarHBondContact O-N 2.85Å; G649-V653 VanDerWaalsContact O-N 3.13Å; S650-V653 PolarHBondContact O-N 3.15Å; N651-V653 VanDerWaalsContact C-N 3.34Å; V653-T656 WeakPolarHBondContact CA-OG1 3.2Å; V653-T656 PolarHBondContact O-OG1 2.77Å; V653-T656 VanDerWaalsContact O-OG1 3.13Å; V653-S657 WeakPolarHBondContact O-CB 3.48Å; V653-S657 PolarHBondContact O-N 3.36Å; V653-S657 PolarHBondContact O-OG 3.43Å; V653-A822 HydrophobicContact CB-CB 4.45Å; V653-A822 HydrophobicContact CG1-CB 3.72Å; V653-A822 HydrophobicContact CG2-CB 3.87Å; V653-T826 HydrophobicContact CG2-CG2 4.31Å |
| 654 | V | 81.9 | Confident | 79.6 | Confident | 9 Ų | 9 | 23.3 Ų | 23.3 | 6% | 0.055 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.9 | -48.9 | 176.5 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | L520 V525 A528 S650 N651 A652 S657 A658 | L520-V654 HydrophobicContact CD1-CB 4.31Å; L520-V654 HydrophobicContact CD1-CG1 4.19Å; L520-V654 HydrophobicContact CD1-CG2 4.15Å; V525-V654 HydrophobicContact CG2-CG1 4.07Å; A528-V654 HydrophobicContact CB-CB 4.43Å; A528-V654 HydrophobicContact CB-CG1 3.86Å; A528-V654 WeakPolarHBondContact CB-O 3.18Å; S650-V654 WeakPolarHBondContact O-CG2 3.38Å; S650-V654 PolarHBondContact O-N 2.68Å; N651-V654 PolarHBondContact O-N 2.94Å; A652-V654 VanDerWaalsContact C-N 3.29Å; A652-V654 PolarHBondContact O-N 2.91Å; V654-S657 PolarHBondContact O-N 3.35Å; V654-A658 PolarHBondContact O-N 3.03Å |
| 655 | W | 79.8 | Confident | 80.4 | Confident | 100 Ų | 100 | 23.8 Ų | 23.8 | 38% | 0.379 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -68.1 | -42.7 | -178.4 | -81.5 | 110.6 | 0 | 0 | 0 | 113 | P524 N651 A652 S657 A658 L659 | P524-W655 HydrophobicContact CB-CE3 4.36Å; P524-W655 HydrophobicContact CB-CH2 4.09Å; P524-W655 HydrophobicContact CB-CZ3 3.99Å; P524-W655 HydrophobicContact CG-CH2 3.72Å; P524-W655 HydrophobicContact CG-CZ2 4.39Å; P524-W655 HydrophobicContact CG-CZ3 3.92Å; N651-W655 PolarHBondContact O-N 3.23Å; A652-W655 PolarHBondContact O-N 3.35Å; W655-S657 VanDerWaalsContact C-N 3.34Å; W655-A658 PolarHBondContact O-N 3.37Å; W655-L659 PolarHBondContact O-N 3.08Å; W655-L659 VanDerWaalsContact O-N 3.13Å |
| 656 | T | 82.6 | Confident | 81.1 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 176.7 | 56.9 | 0 | 0 | 0 | 0 | 110.9 | P493 I496 A652 V653 A658 L659 Q660 | P493-T656 HydrophobicContact CB-CG2 3.85Å; I496-T656 HydrophobicContact CB-CG2 3.93Å; I496-T656 HydrophobicContact CD1-CG2 4.22Å; I496-T656 HydrophobicContact CG2-CG2 3.8Å; A652-T656 WeakPolarHBondContact O-CG2 3.45Å; A652-T656 PolarHBondContact O-N 3.4Å; A652-T656 PolarHBondContact O-OG1 3.39Å; A652-T656 VanDerWaalsContact O-OG1 3.12Å; V653-T656 WeakPolarHBondContact CA-OG1 3.2Å; V653-T656 PolarHBondContact O-OG1 2.77Å; V653-T656 VanDerWaalsContact O-OG1 3.13Å; T656-A658 VanDerWaalsContact C-N 3.34Å; T656-A658 PolarHBondContact O-N 3.4Å; T656-L659 PolarHBondContact O-N 2.91Å; T656-Q660 WeakPolarHBondContact O-CB 3.3Å; T656-Q660 WeakPolarHBondContact O-CG 3.31Å; T656-Q660 PolarHBondContact O-N 3.43Å; T656-Q660 PolarHBondContact O-OE1 3.2Å |
| 657 | S | 86.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.8 | -42 | 175.5 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | V653 V654 W655 Q660 V661 R734 S819 | V653-S657 WeakPolarHBondContact O-CB 3.48Å; V653-S657 PolarHBondContact O-N 3.36Å; V653-S657 PolarHBondContact O-OG 3.43Å; V654-S657 PolarHBondContact O-N 3.35Å; W655-S657 VanDerWaalsContact C-N 3.34Å; S657-Q660 PolarHBondContact O-N 3.25Å; S657-V661 PolarHBondContact O-N 2.76Å; S657-R734 PolarHBondContact OG-NH2 2.81Å; S657-S819 WeakPolarHBondContact CB-OG 3.47Å; S657-S819 PolarHBondContact OG-OG 2.61Å; S657-S819 VanDerWaalsContact OG-OG 3.07Å |
| 658 | A | 85.6 | Confident | 82.9 | Confident | 5 Ų | 5 | 22.6 Ų | 22.6 | 4% | 0.041 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.4 | -45.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P524 L527 A528 V654 W655 T656 Q660 V661 L662 | P524-A658 HydrophobicContact CB-CB 4.49Å; L527-A658 HydrophobicContact CB-CB 4.02Å; A528-A658 HydrophobicContact CB-CB 4.3Å; V654-A658 PolarHBondContact O-N 3.03Å; W655-A658 PolarHBondContact O-N 3.37Å; T656-A658 VanDerWaalsContact C-N 3.34Å; T656-A658 PolarHBondContact O-N 3.4Å; A658-Q660 VanDerWaalsContact C-N 3.32Å; A658-V661 PolarHBondContact O-N 2.86Å; A658-L662 PolarHBondContact O-N 3.4Å |
| 659 | L | 84.5 | Confident | 84.2 | Confident | 86 Ų | 86 | 26.8 Ų | 26.8 | 45% | 0.45 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -64.5 | -38.2 | 175.7 | -68.5 | 173.9 | 0 | 0 | 0 | 111.8 | I496 W655 T656 L662 L663 | I496-L659 HydrophobicContact CD1-CD1 3.84Å; W655-L659 PolarHBondContact O-N 3.08Å; W655-L659 VanDerWaalsContact O-N 3.13Å; T656-L659 PolarHBondContact O-N 2.91Å; L659-L662 PolarHBondContact O-N 3.39Å; L659-L663 PolarHBondContact O-N 3.38Å |
| 660 | Q | 86.9 | Confident | 85.3 | Confident | 6 Ų | 6 | 27.7 Ų | 27.7 | 3% | 0.028 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65 | -37.9 | 178.4 | -75.7 | 168.3 | -21.6 | 0 | 0 | 112.6 | T656 S657 A658 L663 V664 G815 S819 | T656-Q660 WeakPolarHBondContact O-CB 3.3Å; T656-Q660 WeakPolarHBondContact O-CG 3.31Å; T656-Q660 PolarHBondContact O-N 3.43Å; T656-Q660 PolarHBondContact O-OE1 3.2Å; S657-Q660 PolarHBondContact O-N 3.25Å; A658-Q660 VanDerWaalsContact C-N 3.32Å; Q660-L663 WeakPolarHBondContact O-CB 3.35Å; Q660-L663 PolarHBondContact O-N 3.07Å; Q660-V664 VanDerWaalsContact O-CG2 3.31Å; Q660-V664 WeakPolarHBondContact O-CG2 3.32Å; Q660-V664 PolarHBondContact O-N 2.82Å; Q660-G815 WeakPolarHBondContact CB-O 3.31Å; Q660-G815 PolarHBondContact OE1-O 2.88Å; Q660-S819 VanDerWaalsContact OE1-CA 3.25Å |
| 661 | V | 86.4 | Confident | 86.4 | Confident | 6 Ų | 6 | 27.3 Ų | 27.3 | 4% | 0.036 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.4 | -40 | 175.2 | 170.3 | 0 | 0 | 0 | 0 | 112 | L527 I530 G531 S657 A658 L663 V664 I665 | L527-V661 HydrophobicContact CD2-CG1 4.1Å; L527-V661 VanDerWaalsContact O-CG2 3.31Å; L527-V661 WeakPolarHBondContact O-CG2 3.31Å; I530-V661 HydrophobicContact CG2-CG1 4.15Å; I530-V661 HydrophobicContact CG2-CG2 4.37Å; G531-V661 VanDerWaalsContact N-CG2 3.3Å; S657-V661 PolarHBondContact O-N 2.76Å; A658-V661 PolarHBondContact O-N 2.86Å; V661-L663 PolarHBondContact O-N 3.4Å; V661-V664 WeakPolarHBondContact O-CB 3.47Å; V661-V664 PolarHBondContact O-N 3.18Å; V661-I665 HydrophobicContact CG1-CD1 4.02Å; V661-I665 WeakPolarHBondContact O-CG1 3.4Å; V661-I665 PolarHBondContact O-N 2.81Å |
| 662 | L | 88.9 | Confident | 87.5 | Confident | 90 Ų | 90 | 27 Ų | 27 | 47% | 0.471 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -61 | -38.7 | 174.3 | -67 | 176.5 | 0 | 0 | 0 | 111.4 | L527 A658 L659 I665 A666 | L527-L662 HydrophobicContact CD1-CD2 4.21Å; L527-L662 HydrophobicContact CD1-CG 4.32Å; L527-L662 HydrophobicContact CD2-CD2 4.32Å; A658-L662 PolarHBondContact O-N 3.4Å; L659-L662 PolarHBondContact O-N 3.39Å; L662-I665 PolarHBondContact O-N 3.13Å; L662-A666 WeakPolarHBondContact O-CB 3.19Å; L662-A666 PolarHBondContact O-N 3.06Å |
| 663 | L | 88.1 | Confident | 88.3 | Confident | 39 Ų | 39 | 31.7 Ų | 31.7 | 20% | 0.204 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 174.4 | -173 | 68.1 | 0 | 0 | 0 | 112 | T489 L659 Q660 V661 I665 A666 G667 L808 A811 S812 | T489-L663 HydrophobicContact CG2-CD2 3.34Å; L659-L663 PolarHBondContact O-N 3.38Å; Q660-L663 WeakPolarHBondContact O-CB 3.35Å; Q660-L663 PolarHBondContact O-N 3.07Å; V661-L663 PolarHBondContact O-N 3.4Å; L663-I665 VanDerWaalsContact C-N 3.34Å; L663-I665 PolarHBondContact O-N 3.23Å; L663-A666 PolarHBondContact O-N 2.95Å; L663-G667 PolarHBondContact O-N 3.29Å; L663-L808 HydrophobicContact CD1-CD1 3.58Å; L663-A811 HydrophobicContact CD2-CB 4.06Å; L663-S812 PolarHBondContact O-OG 3.39Å; L663-S812 VanDerWaalsContact O-OG 3.13Å |
| 664 | V | 90.3 | Very high | 89 | Confident | 9 Ų | 9 | 32.8 Ų | 32.8 | 6% | 0.055 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.5 | -45.6 | 175.4 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | L539 Q660 V661 G667 A668 S812 A816 | L539-V664 HydrophobicContact CD1-CG1 4.33Å; L539-V664 HydrophobicContact CD2-CG1 4.28Å; Q660-V664 VanDerWaalsContact O-CG2 3.31Å; Q660-V664 WeakPolarHBondContact O-CG2 3.32Å; Q660-V664 PolarHBondContact O-N 2.82Å; V661-V664 WeakPolarHBondContact O-CB 3.47Å; V661-V664 PolarHBondContact O-N 3.18Å; V664-G667 PolarHBondContact O-N 3.32Å; V664-A668 WeakPolarHBondContact O-CB 3.23Å; V664-A668 PolarHBondContact O-N 3.08Å; V664-S812 VanDerWaalsContact CG2-O 3.26Å; V664-S812 WeakPolarHBondContact CG2-O 3.44Å; V664-A816 HydrophobicContact CG2-CB 3.76Å |
| 665 | I | 91 | Very high | 89.4 | Confident | 24 Ų | 24 | 32.3 Ų | 32.3 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.4 | -45.6 | 177.3 | -67.8 | 168.8 | 0 | 0 | 0 | 110.2 | V661 L662 L663 A668 F669 L761 | V661-I665 HydrophobicContact CG1-CD1 4.02Å; V661-I665 WeakPolarHBondContact O-CG1 3.4Å; V661-I665 PolarHBondContact O-N 2.81Å; L662-I665 PolarHBondContact O-N 3.13Å; L663-I665 VanDerWaalsContact C-N 3.34Å; L663-I665 PolarHBondContact O-N 3.23Å; I665-A668 PolarHBondContact O-N 2.95Å; I665-F669 HydrophobicContact CG2-CD2 3.63Å; I665-F669 HydrophobicContact CG2-CE2 3.5Å; I665-F669 VanDerWaalsContact CG2-CE2 3.5Å; I665-F669 VanDerWaalsContact O-CD2 3.23Å; I665-F669 WeakPolarHBondContact O-CD2 3.43Å; I665-F669 PolarHBondContact O-N 3.23Å; I665-L761 HydrophobicContact CG2-CD1 4.25Å |
| 666 | A | 90.3 | Very high | 90 | Very high | 48 Ų | 48 | 28.4 Ų | 28.4 | 40% | 0.397 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L662 L663 F669 A670 | L662-A666 WeakPolarHBondContact O-CB 3.19Å; L662-A666 PolarHBondContact O-N 3.06Å; L663-A666 PolarHBondContact O-N 2.95Å; A666-F669 PolarHBondContact O-N 3.35Å; A666-A670 WeakPolarHBondContact O-CB 3.39Å; A666-A670 PolarHBondContact O-N 3.1Å |
| 667 | G | 91.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L663 V664 A670 I671 | L663-G667 PolarHBondContact O-N 3.29Å; V664-G667 PolarHBondContact O-N 3.32Å; G667-A670 PolarHBondContact O-N 3.39Å; G667-I671 WeakPolarHBondContact O-CG1 3.35Å; G667-I671 PolarHBondContact O-N 3.36Å |
| 668 | A | 93 | Very high | 90.3 | Very high | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -45.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V664 I665 A670 I671 I672 L761 I765 | V664-A668 WeakPolarHBondContact O-CB 3.23Å; V664-A668 PolarHBondContact O-N 3.08Å; I665-A668 PolarHBondContact O-N 2.95Å; A668-A670 VanDerWaalsContact C-N 3.33Å; A668-A670 PolarHBondContact O-N 3.01Å; A668-I671 PolarHBondContact O-N 3.45Å; A668-I672 WeakPolarHBondContact O-CB 3.4Å; A668-I672 WeakPolarHBondContact O-CD1 3.25Å; A668-I672 WeakPolarHBondContact O-CG1 3.18Å; A668-I672 PolarHBondContact O-N 2.89Å; A668-L761 HydrophobicContact CB-CB 4.17Å; A668-L761 HydrophobicContact CB-CD1 4.33Å; A668-I765 HydrophobicContact CB-CD1 3.96Å |
| 669 | F | 94.3 | Very high | 90.3 | Very high | 88 Ų | 88 | 37.9 Ų | 37.9 | 39% | 0.386 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.7 | -43.2 | 174.3 | -85.5 | -63.5 | 0 | 0 | 0 | 112.2 | I665 A666 I671 I672 I673 L761 | I665-F669 HydrophobicContact CG2-CD2 3.63Å; I665-F669 HydrophobicContact CG2-CE2 3.5Å; I665-F669 VanDerWaalsContact CG2-CE2 3.5Å; I665-F669 VanDerWaalsContact O-CD2 3.23Å; I665-F669 WeakPolarHBondContact O-CD2 3.43Å; I665-F669 PolarHBondContact O-N 3.23Å; A666-F669 PolarHBondContact O-N 3.35Å; F669-I671 PolarHBondContact O-N 2.99Å; F669-I672 PolarHBondContact O-N 3.37Å; F669-I673 WeakPolarHBondContact O-CB 3.44Å; F669-I673 VanDerWaalsContact O-CG1 3.23Å; F669-I673 WeakPolarHBondContact O-CG1 3.26Å; F669-I673 PolarHBondContact O-N 2.96Å; F669-L761 HydrophobicContact CD1-CD2 4.06Å; F669-L761 HydrophobicContact CD2-CD1 4.39Å; F669-L761 HydrophobicContact CE1-CD2 3.68Å; F669-L761 HydrophobicContact CE2-CD1 4.04Å; F669-L761 HydrophobicContact CE2-CD2 4.37Å; F669-L761 HydrophobicContact CZ-CD1 4.23Å; F669-L761 HydrophobicContact CZ-CD2 3.85Å |
| 670 | A | 92.7 | Very high | 90.3 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 19% | 0.19 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A666 G667 A668 T674 L805 L808 | A666-A670 WeakPolarHBondContact O-CB 3.39Å; A666-A670 PolarHBondContact O-N 3.1Å; G667-A670 PolarHBondContact O-N 3.39Å; A668-A670 VanDerWaalsContact C-N 3.33Å; A668-A670 PolarHBondContact O-N 3.01Å; A670-T674 PolarHBondContact O-N 3.3Å; A670-T674 VanDerWaalsContact O-N 3.11Å; A670-T674 PolarHBondContact O-OG1 2.96Å; A670-T674 VanDerWaalsContact O-OG1 3.1Å; A670-L805 HydrophobicContact CB-CD1 3.36Å; A670-L808 HydrophobicContact CB-CD2 3.89Å |
| 671 | I | 94.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 175.1 | -66 | 167 | 0 | 0 | 0 | 111.5 | G667 A668 F669 G675 I765 V795 L799 F809 | G667-I671 WeakPolarHBondContact O-CG1 3.35Å; G667-I671 PolarHBondContact O-N 3.36Å; A668-I671 PolarHBondContact O-N 3.45Å; F669-I671 PolarHBondContact O-N 2.99Å; I671-G675 PolarHBondContact O-N 3.05Å; I671-I765 HydrophobicContact CB-CD1 4.49Å; I671-I765 HydrophobicContact CG2-CD1 4.38Å; I671-I765 HydrophobicContact CG2-CG1 4.17Å; I671-I765 HydrophobicContact CG2-CG2 4.23Å; I671-V795 HydrophobicContact CD1-CG2 4.32Å; I671-L799 HydrophobicContact CG1-CD1 4.49Å; I671-L799 HydrophobicContact CG2-CD1 4.1Å; I671-F809 HydrophobicContact CD1-CB 4.22Å; I671-F809 HydrophobicContact CD1-CD2 3.44Å; I671-F809 VanDerWaalsContact CD1-CD2 3.44Å; I671-F809 HydrophobicContact CD1-CE2 4.14Å; I671-F809 HydrophobicContact CD1-CG 4.17Å |
| 672 | I | 95.2 | Very high | 90.6 | Very high | 15 Ų | 15 | 45.3 Ų | 45.3 | 8% | 0.077 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.9 | -45.9 | -179.8 | -68.9 | 165.6 | 0 | 0 | 0 | 111.1 | A668 F669 G675 C676 L761 I764 I765 I768 | A668-I672 WeakPolarHBondContact O-CB 3.4Å; A668-I672 WeakPolarHBondContact O-CD1 3.25Å; A668-I672 WeakPolarHBondContact O-CG1 3.18Å; A668-I672 PolarHBondContact O-N 2.89Å; F669-I672 PolarHBondContact O-N 3.37Å; I672-G675 PolarHBondContact O-N 3.14Å; I672-C676 VanDerWaalsContact O-CB 3.27Å; I672-C676 WeakPolarHBondContact O-CB 3.41Å; I672-C676 PolarHBondContact O-N 3.37Å; I672-C676 PolarHBondContact O-SG 3.46Å; I672-L761 HydrophobicContact CD1-CB 3.98Å; I672-L761 HydrophobicContact CD1-CD2 3.54Å; I672-L761 HydrophobicContact CD1-CG 4.36Å; I672-I764 HydrophobicContact CD1-CB 4.14Å; I672-I764 HydrophobicContact CD1-CG2 4.12Å; I672-I764 HydrophobicContact CG1-CB 4.41Å; I672-I764 HydrophobicContact CG1-CG2 3.97Å; I672-I764 HydrophobicContact CG2-CG2 3.83Å; I672-I765 HydrophobicContact CD1-CG1 4.11Å; I672-I765 HydrophobicContact CG1-CD1 4.38Å; I672-I765 HydrophobicContact CG1-CG1 3.62Å; I672-I768 HydrophobicContact CB-CD1 4.38Å; I672-I768 HydrophobicContact CG1-CD1 4.35Å; I672-I768 HydrophobicContact CG2-CD1 4.35Å |
| 673 | I | 92.9 | Very high | 90.6 | Very high | 101 Ų | 101 | 49 Ų | 49 | 52% | 0.518 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.4 | -52.4 | -179.2 | -69 | 164.8 | 0 | 0 | 0 | 109.5 | F669 G675 C676 L677 | F669-I673 WeakPolarHBondContact O-CB 3.44Å; F669-I673 VanDerWaalsContact O-CG1 3.23Å; F669-I673 WeakPolarHBondContact O-CG1 3.26Å; F669-I673 PolarHBondContact O-N 2.96Å; I673-G675 PolarHBondContact O-N 3.44Å; I673-C676 PolarHBondContact O-N 2.83Å; I673-L677 HydrophobicContact CG2-CD1 4.12Å; I673-L677 VanDerWaalsContact O-CG 3.25Å; I673-L677 WeakPolarHBondContact O-CG 3.31Å; I673-L677 PolarHBondContact O-N 3.27Å |
| 674 | T | 92 | Very high | 90.7 | Very high | 28 Ų | 28 | 50.8 Ų | 50.8 | 17% | 0.172 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | -179.9 | -49.7 | 0 | 0 | 0 | 0 | 111.6 | A670 L677 E678 L799 L805 | A670-T674 PolarHBondContact O-N 3.3Å; A670-T674 VanDerWaalsContact O-N 3.11Å; A670-T674 PolarHBondContact O-OG1 2.96Å; A670-T674 VanDerWaalsContact O-OG1 3.1Å; T674-L677 PolarHBondContact O-N 2.87Å; T674-E678 PolarHBondContact O-N 3.4Å; T674-L799 HydrophobicContact CG2-CD2 3.68Å; T674-L805 HydrophobicContact CG2-CD2 4.34Å |
| 675 | G | 91.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.6 | -37.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | I671 I672 I673 E678 A679 Y794 | I671-G675 PolarHBondContact O-N 3.05Å; I672-G675 PolarHBondContact O-N 3.14Å; I673-G675 PolarHBondContact O-N 3.44Å; G675-E678 PolarHBondContact O-N 3.3Å; G675-A679 VanDerWaalsContact O-CB 3.27Å; G675-A679 WeakPolarHBondContact O-CB 3.35Å; G675-A679 PolarHBondContact O-N 3.18Å; G675-Y794 WeakPolarHBondContact CA-OH 3.44Å |
| 676 | C | 92 | Very high | 90.8 | Very high | 18 Ų | 18 | 54.8 Ų | 54.8 | 12% | 0.122 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.1 | -36.5 | 172.9 | -75.3 | 0 | 0 | 0 | 0 | 112 | I672 I673 E678 A679 N680 G681 | I672-C676 VanDerWaalsContact O-CB 3.27Å; I672-C676 WeakPolarHBondContact O-CB 3.41Å; I672-C676 PolarHBondContact O-N 3.37Å; I672-C676 PolarHBondContact O-SG 3.46Å; I673-C676 PolarHBondContact O-N 2.83Å; C676-E678 VanDerWaalsContact C-N 3.34Å; C676-A679 PolarHBondContact O-N 2.95Å; C676-N680 PolarHBondContact O-N 3.32Å; C676-G681 WeakPolarHBondContact O-CA 3.23Å; C676-G681 PolarHBondContact O-N 3.37Å |
| 677 | L | 89.7 | Confident | 90.7 | Very high | 133 Ų | 133 | 53.6 Ų | 53.6 | 70% | 0.696 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.8 | -39.2 | 174.5 | -69.5 | 171.5 | 0 | 0 | 0 | 111.5 | I673 T674 A679 | I673-L677 HydrophobicContact CG2-CD1 4.12Å; I673-L677 VanDerWaalsContact O-CG 3.25Å; I673-L677 WeakPolarHBondContact O-CG 3.31Å; I673-L677 PolarHBondContact O-N 3.27Å; T674-L677 PolarHBondContact O-N 2.87Å; L677-A679 VanDerWaalsContact C-N 3.33Å |
| 678 | E | 86 | Confident | 90.5 | Very high | 72 Ų | 72 | 53.6 Ų | 53.6 | 34% | 0.336 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.8 | -31.1 | 173.2 | -72.3 | -171.8 | 160.7 | 0 | 0 | 113.3 | T674 G675 C676 N680 Y794 H801 | T674-E678 PolarHBondContact O-N 3.4Å; G675-E678 PolarHBondContact O-N 3.3Å; C676-E678 VanDerWaalsContact C-N 3.34Å; E678-N680 VanDerWaalsContact C-N 3.34Å; E678-Y794 PolarHBondContact OE2-OH 3.29Å; E678-H801 IonicContact OE1-CE1 3.27Å; E678-H801 PolarHBondContact OE1-CE1 3.36Å; E678-H801 VanDerWaalsContact OE1-CE1 3.27Å; E678-H801 IonicContact OE1-ND1 3.89Å |
| 679 | A | 85.1 | Confident | 90.5 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 11.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G675 C676 L677 G681 V685 H771 | G675-A679 VanDerWaalsContact O-CB 3.27Å; G675-A679 WeakPolarHBondContact O-CB 3.35Å; G675-A679 PolarHBondContact O-N 3.18Å; C676-A679 PolarHBondContact O-N 2.95Å; L677-A679 VanDerWaalsContact C-N 3.33Å; A679-G681 PolarHBondContact O-N 2.98Å; A679-V685 HydrophobicContact CB-CG2 3.31Å; A679-H771 WeakPolarHBondContact CB-ND1 3.16Å |
| 680 | N | 85.6 | Confident | 90.2 | Very high | 139 Ų | 139 | 50.2 Ų | 50.2 | 74% | 0.743 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 26.7 | -174.9 | -59.6 | -44.9 | 0 | 0 | 0 | 114.7 | C676 E678 | C676-N680 PolarHBondContact O-N 3.32Å; E678-N680 VanDerWaalsContact C-N 3.34Å |
| 681 | G | 88.2 | Confident | 89.9 | Confident | 27 Ų | 27 | 50.8 Ų | 50.8 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | trans | 113.4 | 163.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | C676 A679 E683 V685 | C676-G681 WeakPolarHBondContact O-CA 3.23Å; C676-G681 PolarHBondContact O-N 3.37Å; A679-G681 PolarHBondContact O-N 2.98Å; G681-E683 VanDerWaalsContact C-N 3.34Å; G681-E683 PolarHBondContact O-N 3.04Å; G681-V685 PolarHBondContact O-N 3Å | ||
| 682 | I | 90.8 | Very high | 89.5 | Confident | 88 Ų | 88 | 50.7 Ų | 50.7 | 45% | 0.451 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -72.6 | -26 | -176.8 | -164 | 165.9 | 0 | 0 | 0 | 113.1 | V685 W686 I764 | I682-V685 PolarHBondContact O-N 3.3Å; I682-W686 WeakPolarHBondContact O-CB 3.38Å; I682-W686 PolarHBondContact O-N 3.27Å; I682-I764 HydrophobicContact CD1-CG2 4.49Å |
| 683 | E | 88.9 | Confident | 89 | Confident | 168 Ų | 168 | 50.5 Ų | 50.5 | 79% | 0.785 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -65.6 | -42.2 | 177.7 | -67.4 | -172.8 | 172.7 | 0 | 0 | 111.5 | G681 W686 A687 | G681-E683 VanDerWaalsContact C-N 3.34Å; G681-E683 PolarHBondContact O-N 3.04Å; E683-W686 PolarHBondContact O-N 3.49Å; E683-A687 WeakPolarHBondContact O-CB 3.18Å; E683-A687 PolarHBondContact O-N 3.4Å |
| 684 | E | 88.7 | Confident | 88.9 | Confident | 75 Ų | 75 | 45.8 Ų | 45.8 | 35% | 0.35 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 175.8 | -176 | 61.7 | -162.7 | 0 | 0 | 111 | W686 A687 Y688 | E684-W686 VanDerWaalsContact C-N 3.27Å; E684-W686 PolarHBondContact O-N 3.42Å; E684-A687 PolarHBondContact O-N 2.97Å; E684-Y688 WeakPolarHBondContact O-CB 3.24Å; E684-Y688 PolarHBondContact O-N 2.92Å |
| 685 | V | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.2 | -44.2 | 174.5 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | A679 G681 I682 N689 M767 I768 H771 | A679-V685 HydrophobicContact CB-CG2 3.31Å; G681-V685 PolarHBondContact O-N 3Å; I682-V685 PolarHBondContact O-N 3.3Å; V685-N689 PolarHBondContact O-N 3.45Å; V685-N689 VanDerWaalsContact O-N 3.16Å; V685-N689 PolarHBondContact O-ND2 3.38Å; V685-M767 HydrophobicContact CG1-CB 3.64Å; V685-I768 HydrophobicContact CG1-CG1 4.14Å; V685-I768 HydrophobicContact CG2-CG1 4.41Å; V685-H771 HydrophobicContact CG2-CB 4.43Å |
| 686 | W | 91.2 | Very high | 88.4 | Confident | 118 Ų | 118 | 46.7 Ų | 46.7 | 45% | 0.447 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.4 | -50.2 | 178.2 | -179 | -97.3 | 0 | 0 | 0 | 111.9 | I682 E683 E684 Y688 N689 V690 M695 F697 M767 | I682-W686 WeakPolarHBondContact O-CB 3.38Å; I682-W686 PolarHBondContact O-N 3.27Å; E683-W686 PolarHBondContact O-N 3.49Å; E684-W686 VanDerWaalsContact C-N 3.27Å; E684-W686 PolarHBondContact O-N 3.42Å; W686-Y688 VanDerWaalsContact C-N 3.31Å; W686-Y688 PolarHBondContact O-N 3.45Å; W686-N689 PolarHBondContact O-N 3.19Å; W686-V690 HydrophobicContact CZ2-CG2 4.48Å; W686-V690 WeakPolarHBondContact O-CG2 3.46Å; W686-V690 PolarHBondContact O-N 3.3Å; W686-M695 HydrophobicContact CE3-CG 4.2Å; W686-M695 HydrophobicContact CE3-SD 4.28Å; W686-M695 HydrophobicContact CH2-CB 4.38Å; W686-M695 HydrophobicContact CH2-CG 4.04Å; W686-M695 HydrophobicContact CH2-SD 3.97Å; W686-M695 HydrophobicContact CZ2-CG 4.43Å; W686-M695 HydrophobicContact CZ3-CG 3.91Å; W686-M695 HydrophobicContact CZ3-SD 3.61Å; W686-F697 HydrophobicContact CH2-CE2 4.14Å; W686-M767 HydrophobicContact CE3-CE 4.23Å; W686-M767 HydrophobicContact CE3-SD 3.74Å; W686-M767 HydrophobicContact CZ3-CE 4.46Å; W686-M767 HydrophobicContact CZ3-SD 4.01Å |
| 687 | A | 88.4 | Confident | 88 | Confident | 22 Ų | 22 | 48.7 Ų | 48.7 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.6 | -44.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E683 E684 N689 V690 A691 | E683-A687 WeakPolarHBondContact O-CB 3.18Å; E683-A687 PolarHBondContact O-N 3.4Å; E684-A687 PolarHBondContact O-N 2.97Å; A687-N689 PolarHBondContact O-N 2.97Å; A687-V690 PolarHBondContact O-N 3.43Å; A687-A691 PolarHBondContact O-N 2.92Å |
| 688 | Y | 88.2 | Confident | 87.6 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -40.1 | 177.9 | -162.4 | -88.2 | 0 | 0 | 0 | 112.6 | E684 W686 A691 G692 Y770 H771 E775 L959 P960 | E684-Y688 WeakPolarHBondContact O-CB 3.24Å; E684-Y688 PolarHBondContact O-N 2.92Å; W686-Y688 VanDerWaalsContact C-N 3.31Å; W686-Y688 PolarHBondContact O-N 3.45Å; Y688-A691 PolarHBondContact O-N 3.35Å; Y688-G692 PolarHBondContact O-N 2.89Å; Y688-Y770 AromaticContact CD1-CD1 3.89Å; Y688-Y770 HydrophobicContact CD1-CD1 3.89Å; Y688-Y770 AromaticContact CD1-CE1 3.72Å; Y688-Y770 HydrophobicContact CD1-CE1 3.72Å; Y688-Y770 HydrophobicContact CE1-CD1 4.14Å; Y688-Y770 AromaticContact CE1-CE1 3.76Å; Y688-Y770 HydrophobicContact CE1-CE1 3.76Å; Y688-H771 HydrophobicContact CD1-CB 4.38Å; Y688-H771 AromaticContact CG-CD2 3.84Å; Y688-E775 WeakPolarHBondContact OH-CG 3.22Å; Y688-L959 HydrophobicContact CD2-CD2 4.48Å; Y688-P960 HydrophobicContact CE1-CG 4.22Å; Y688-P960 HydrophobicContact CE2-CG 4.38Å |
| 689 | N | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.1 | -33 | 178.1 | -84.2 | -93.7 | 0 | 0 | 0 | 113 | V685 W686 A687 L693 R694 M695 M767 Y770 | V685-N689 PolarHBondContact O-N 3.45Å; V685-N689 VanDerWaalsContact O-N 3.16Å; V685-N689 PolarHBondContact O-ND2 3.38Å; W686-N689 PolarHBondContact O-N 3.19Å; A687-N689 PolarHBondContact O-N 2.97Å; N689-L693 PolarHBondContact O-N 2.93Å; N689-R694 HydrophobicContact CB-CB 4.22Å; N689-R694 PolarHBondContact O-N 3.05Å; N689-M695 HydrophobicContact CB-CE 4.05Å; N689-M695 HydrophobicContact CB-CG 3.93Å; N689-M695 PolarHBondContact O-N 3.35Å; N689-M767 PolarHBondContact ND2-O 3.06Å; N689-M767 WeakPolarHBondContact OD1-CA 3.21Å; N689-Y770 WeakPolarHBondContact OD1-CD1 3.45Å |
| 690 | V | 88.9 | Confident | 87.4 | Confident | 22 Ų | 22 | 45.4 Ų | 45.4 | 13% | 0.133 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.1 | -48.2 | 172.1 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | W686 A687 G692 L693 M695 P975 | W686-V690 HydrophobicContact CZ2-CG2 4.48Å; W686-V690 WeakPolarHBondContact O-CG2 3.46Å; W686-V690 PolarHBondContact O-N 3.3Å; A687-V690 PolarHBondContact O-N 3.43Å; V690-G692 VanDerWaalsContact C-N 3.28Å; V690-G692 PolarHBondContact O-N 3.48Å; V690-L693 PolarHBondContact O-N 3.36Å; V690-M695 HydrophobicContact CG2-CB 3.88Å; V690-M695 HydrophobicContact CG2-CG 4.24Å; V690-P975 HydrophobicContact CG1-CG 4.27Å |
| 691 | A | 85.7 | Confident | 87.4 | Confident | 35 Ų | 35 | 43.1 Ų | 43.1 | 29% | 0.289 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.9 | -38.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A687 Y688 L693 L959 P960 | A687-A691 PolarHBondContact O-N 2.92Å; Y688-A691 PolarHBondContact O-N 3.35Å; A691-L693 PolarHBondContact O-N 2.85Å; A691-L959 HydrophobicContact CB-CD2 3.78Å; A691-P960 HydrophobicContact CB-CG 4.28Å |
| 692 | G | 85.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 5.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y688 V690 R694 Y770 | Y688-G692 PolarHBondContact O-N 2.89Å; V690-G692 VanDerWaalsContact C-N 3.28Å; V690-G692 PolarHBondContact O-N 3.48Å; G692-R694 WeakPolarHBondContact O-CD 2.92Å; G692-R694 PolarHBondContact O-N 3.47Å; G692-R694 PolarHBondContact O-NH1 2.96Å; G692-Y770 VanDerWaalsContact CA-OH 3.3Å; G692-Y770 WeakPolarHBondContact CA-OH 3.34Å |
| 693 | L | 86 | Confident | 86.8 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 20.7 | -176.3 | -53.2 | 176 | 0 | 0 | 0 | 114.9 | N689 V690 A691 V962 V972 | N689-L693 PolarHBondContact O-N 2.93Å; V690-L693 PolarHBondContact O-N 3.36Å; A691-L693 PolarHBondContact O-N 2.85Å; L693-V962 HydrophobicContact CD1-CG1 3.87Å; L693-V962 HydrophobicContact CG-CG1 4.43Å; L693-V972 HydrophobicContact CD2-CG1 3.71Å; L693-V972 HydrophobicContact CD2-CG2 3.95Å |
| 694 | R | 90.5 | Very high | 86.4 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -30.3 | 176.7 | -85.1 | 62.9 | -179.5 | 168.8 | -0.9 | 111.7 | V546 Y547 G550 G551 N689 G692 D696 Y770 L944 P945 | V546-R694 WeakPolarHBondContact O-CG 3.46Å; Y547-R694 PolarHBondContact O-NE 2.94Å; Y547-R694 PolarHBondContact O-NH2 3.35Å; G550-R694 CarbonylContact C-O 3.51Å; G550-R694 WeakPolarHBondContact CA-O 3.34Å; G551-R694 PolarHBondContact N-O 3.49Å; N689-R694 HydrophobicContact CB-CB 4.22Å; N689-R694 PolarHBondContact O-N 3.05Å; G692-R694 WeakPolarHBondContact O-CD 2.92Å; G692-R694 PolarHBondContact O-N 3.47Å; G692-R694 PolarHBondContact O-NH1 2.96Å; R694-D696 VanDerWaalsContact C-N 3.32Å; R694-D696 PolarHBondContact O-N 3.48Å; R694-Y770 HydrophobicContact CG-CD1 4.13Å; R694-Y770 HydrophobicContact CG-CE1 4.42Å; R694-Y770 HydrophobicContact CG-CG 4.18Å; R694-Y770 PolarHBondContact NH1-OH 3.04Å; R694-Y770 VanDerWaalsContact NH2-CE2 3.29Å; R694-L944 HydrophobicContact CG-CD1 4.26Å; R694-L944 VanDerWaalsContact CZ-CB 3.44Å; R694-L944 PolarHBondContact NH2-O 3.19Å; R694-P945 PolarHBondContact NH1-O 3.38Å; R694-P945 PolarHBondContact NH2-O 3.46Å |
| 695 | M | 89.6 | Confident | 86.1 | Confident | 26 Ų | 26 | 51.4 Ų | 51.4 | 13% | 0.128 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 42.7 | 176.9 | -62.6 | -59.3 | 131.1 | 0 | 0 | 113 | V546 W686 N689 V690 F697 M767 | V546-M695 HydrophobicContact CG1-CE 4.14Å; W686-M695 HydrophobicContact CE3-CG 4.2Å; W686-M695 HydrophobicContact CE3-SD 4.28Å; W686-M695 HydrophobicContact CH2-CB 4.38Å; W686-M695 HydrophobicContact CH2-CG 4.04Å; W686-M695 HydrophobicContact CH2-SD 3.97Å; W686-M695 HydrophobicContact CZ2-CG 4.43Å; W686-M695 HydrophobicContact CZ3-CG 3.91Å; W686-M695 HydrophobicContact CZ3-SD 3.61Å; N689-M695 HydrophobicContact CB-CE 4.05Å; N689-M695 HydrophobicContact CB-CG 3.93Å; N689-M695 PolarHBondContact O-N 3.35Å; V690-M695 HydrophobicContact CG2-CB 3.88Å; V690-M695 HydrophobicContact CG2-CG 4.24Å; M695-F697 HydrophobicContact CB-CE2 4.03Å; M695-F697 HydrophobicContact CB-CZ 4.36Å; M695-F697 HydrophobicContact SD-CE2 4.09Å; M695-F697 HydrophobicContact SD-CZ 3.58Å; M695-F697 VanDerWaalsContact SD-CZ 3.58Å; M695-M767 HydrophobicContact CE-CG 3.24Å; M695-M767 HydrophobicContact CE-SD 3.23Å; M695-M767 WeakPolarHBondContact CE-SD 3.38Å; M695-M767 HydrophobicContact CG-SD 4.48Å; M695-M767 HydrophobicContact SD-SD 3.79Å |
| 696 | D | 82.1 | Confident | 85.6 | Confident | 22 Ų | 22 | 52.6 Ų | 52.6 | 12% | 0.118 | 27% | 0.267 | C | S | . | . | trans | -96.3 | 99 | 174.4 | -177.4 | 10 | 0 | 0 | 0 | 110.9 | R694 S698 K968 | R694-D696 VanDerWaalsContact C-N 3.32Å; R694-D696 PolarHBondContact O-N 3.48Å; D696-S698 WeakPolarHBondContact OD1-CB 3.21Å; D696-S698 PolarHBondContact OD1-N 3.28Å; D696-S698 VanDerWaalsContact OD1-N 3.14Å; D696-S698 PolarHBondContact OD1-OG 3.37Å; D696-K968 WeakPolarHBondContact OD2-CE 3.23Å; D696-K968 IonicContact OD2-NZ 3.38Å; D696-K968 PolarHBondContact OD2-NZ 3.25Å | ||
| 697 | F | 85.4 | Confident | 85.1 | Confident | 60 Ų | 60 | 50.8 Ų | 50.8 | 26% | 0.263 | 26% | 0.26 | S | S | . | . | trans | -94.4 | 3.8 | 179.8 | -56.2 | -66.4 | 0 | 0 | 0 | 113.1 | G551 S554 Y555 W686 M695 | G551-F697 WeakPolarHBondContact O-CE1 3.27Å; S554-F697 WeakPolarHBondContact OG-CD1 3.45Å; S554-F697 WeakPolarHBondContact OG-CE1 3.28Å; Y555-F697 HydrophobicContact CE2-CB 3.93Å; Y555-F697 HydrophobicContact CE2-CD1 4.41Å; Y555-F697 WeakPolarHBondContact CE2-O 3.28Å; Y555-F697 PolarHBondContact OH-O 3.43Å; W686-F697 HydrophobicContact CH2-CE2 4.14Å; M695-F697 HydrophobicContact CB-CE2 4.03Å; M695-F697 HydrophobicContact CB-CZ 4.36Å; M695-F697 HydrophobicContact SD-CE2 4.09Å; M695-F697 HydrophobicContact SD-CZ 3.58Å; M695-F697 VanDerWaalsContact SD-CZ 3.58Å | ||
| 698 | S | 80.5 | Confident | 85.1 | Confident | 38 Ų | 38 | 52 Ų | 52 | 27% | 0.266 | 26% | 0.262 | S | S | . | . | trans | -94.1 | 2.9 | -163.1 | 71.3 | 0 | 0 | 0 | 0 | 115.3 | D696 V700 H971 | D696-S698 WeakPolarHBondContact OD1-CB 3.21Å; D696-S698 PolarHBondContact OD1-N 3.28Å; D696-S698 VanDerWaalsContact OD1-N 3.14Å; D696-S698 PolarHBondContact OD1-OG 3.37Å; S698-V700 PolarHBondContact O-N 2.76Å; S698-H971 WeakPolarHBondContact CB-O 3.34Å; S698-H971 PolarHBondContact OG-O 3.49Å | ||
| 699 | D | 81.5 | Confident | 85.1 | Confident | 20 Ų | 20 | 52.1 Ų | 52.1 | 11% | 0.107 | 26% | 0.262 | C | S | . | . | trans | -73.1 | 92.2 | -176.7 | -162.3 | -21.9 | 0 | 0 | 0 | 112 | M552 R701 S709 I710 | M552-D699 HydrophobicContact CE-CB 3.41Å; M552-D699 VanDerWaalsContact CE-CB 3.41Å; M552-D699 WeakPolarHBondContact CE-O 3.31Å; D699-R701 WeakPolarHBondContact OD1-CB 3.35Å; D699-R701 VanDerWaalsContact OD1-CG 3.31Å; D699-R701 WeakPolarHBondContact OD1-CG 3.43Å; D699-R701 IonicContact OD1-CZ 3.16Å; D699-R701 PolarHBondContact OD1-N 2.69Å; D699-R701 IonicContact OD1-NE 2.73Å; D699-R701 PolarHBondContact OD1-NE 3.42Å; D699-R701 IonicContact OD1-NH2 3.29Å; D699-R701 IonicContact OD2-CZ 3.74Å; D699-R701 IonicContact OD2-NE 3.78Å; D699-R701 PolarHBondContact OD2-NE 3.14Å; D699-R701 IonicContact OD2-NH2 2.93Å; D699-R701 PolarHBondContact OD2-NH2 3.07Å; D699-S709 WeakPolarHBondContact O-CA 3.07Å; D699-S709 WeakPolarHBondContact O-CB 3.13Å; D699-I710 PolarHBondContact O-N 3.12Å | ||
| 700 | V | 85.5 | Confident | 85.1 | Confident | 79 Ų | 79 | 53.5 Ų | 53.5 | 48% | 0.479 | 27% | 0.27 | S | S | . | . | trans | -92 | 10.2 | -179.5 | -69.5 | 0 | 0 | 0 | 0 | 113.7 | S698 I702 I710 W711 | S698-V700 PolarHBondContact O-N 2.76Å; V700-I702 PolarHBondContact O-N 2.6Å; V700-I710 HydrophobicContact CG1-CD1 3.75Å; V700-W711 PolarHBondContact O-NE1 3.32Å | ||
| 701 | R | 84.2 | Confident | 85.2 | Confident | 92 Ų | 92 | 58.2 Ų | 58.2 | 35% | 0.347 | 29% | 0.285 | S | S | . | . | trans | -64.9 | 128.7 | -175.3 | -66.4 | 178 | -65.7 | 174.4 | 2.8 | 111.3 | D699 D703 S709 W967 | D699-R701 WeakPolarHBondContact OD1-CB 3.35Å; D699-R701 VanDerWaalsContact OD1-CG 3.31Å; D699-R701 WeakPolarHBondContact OD1-CG 3.43Å; D699-R701 IonicContact OD1-CZ 3.16Å; D699-R701 PolarHBondContact OD1-N 2.69Å; D699-R701 IonicContact OD1-NE 2.73Å; D699-R701 PolarHBondContact OD1-NE 3.42Å; D699-R701 IonicContact OD1-NH2 3.29Å; D699-R701 IonicContact OD2-CZ 3.74Å; D699-R701 IonicContact OD2-NE 3.78Å; D699-R701 PolarHBondContact OD2-NE 3.14Å; D699-R701 IonicContact OD2-NH2 2.93Å; D699-R701 PolarHBondContact OD2-NH2 3.07Å; R701-D703 PolarHBondContact O-N 3.29Å; R701-S709 WeakPolarHBondContact O-CB 3.38Å; R701-S709 PolarHBondContact O-OG 3.25Å; R701-S709 VanDerWaalsContact O-OG 3.11Å; R701-W967 VanDerWaalsContact NH1-CE3 3.35Å | ||
| 702 | I | 84.1 | Confident | 85.4 | Confident | 146 Ų | 146 | 58.2 Ų | 58.2 | 75% | 0.749 | 28% | 0.283 | S | S | * | . | trans | -89.6 | 53.1 | 174.6 | -45.8 | 173 | 0 | 0 | 0 | 108.9 | V700 W711 | V700-I702 PolarHBondContact O-N 2.6Å; I702-W711 HydrophobicContact CG1-CG 4.32Å | ||
| 703 | D | 82.7 | Confident | 85.7 | Confident | 47 Ų | 47 | 58.4 Ų | 58.4 | 25% | 0.251 | 28% | 0.284 | S | S | . | . | trans | -114.9 | 114.1 | 170.9 | -175.9 | -16 | 0 | 0 | 0 | 107.8 | R701 R705 V706 | R701-D703 PolarHBondContact O-N 3.29Å; D703-R705 PolarHBondContact O-N 3.46Å; D703-R705 VanDerWaalsContact OD1-CB 3.25Å; D703-R705 WeakPolarHBondContact OD1-CB 3.43Å; D703-R705 WeakPolarHBondContact OD1-CG 3.3Å; D703-R705 IonicContact OD1-CZ 2.67Å; D703-R705 PolarHBondContact OD1-N 2.92Å; D703-R705 IonicContact OD1-NE 3.36Å; D703-R705 PolarHBondContact OD1-NE 3Å; D703-R705 IonicContact OD1-NH2 3.42Å; D703-R705 IonicContact OD2-CZ 3.11Å; D703-R705 IonicContact OD2-NE 2.9Å; D703-R705 PolarHBondContact OD2-NE 3.36Å; D703-R705 VanDerWaalsContact OD2-NE 3.16Å; D703-R705 IonicContact OD2-NH2 2.77Å; D703-R705 PolarHBondContact OD2-NH2 3.17Å; D703-V706 HydrophobicContact CB-CG2 3.97Å; D703-V706 WeakPolarHBondContact O-CB 3.18Å; D703-V706 PolarHBondContact O-N 2.86Å | ||
| 704 | P | 81.3 | Confident | 86 | Confident | 126 Ų | 126 | 59.1 Ų | 59.1 | 82% | 0.818 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -8.3 | -177.7 | 29.6 | -36.3 | 0 | 0 | 0 | 113.4 | ||
| 705 | R | 82.3 | Confident | 86.1 | Confident | 213 Ų | 213 | 63.5 Ų | 63.5 | 80% | 0.804 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -16.5 | 173.6 | -58.1 | 171.8 | -67.3 | -175.5 | 3.2 | 112.5 | D703 R707 | D703-R705 PolarHBondContact O-N 3.46Å; D703-R705 VanDerWaalsContact OD1-CB 3.25Å; D703-R705 WeakPolarHBondContact OD1-CB 3.43Å; D703-R705 WeakPolarHBondContact OD1-CG 3.3Å; D703-R705 IonicContact OD1-CZ 2.67Å; D703-R705 PolarHBondContact OD1-N 2.92Å; D703-R705 IonicContact OD1-NE 3.36Å; D703-R705 PolarHBondContact OD1-NE 3Å; D703-R705 IonicContact OD1-NH2 3.42Å; D703-R705 IonicContact OD2-CZ 3.11Å; D703-R705 IonicContact OD2-NE 2.9Å; D703-R705 PolarHBondContact OD2-NE 3.36Å; D703-R705 VanDerWaalsContact OD2-NE 3.16Å; D703-R705 IonicContact OD2-NH2 2.77Å; D703-R705 PolarHBondContact OD2-NH2 3.17Å; R705-R707 PolarHBondContact O-N 2.97Å |
| 706 | V | 81.2 | Confident | 86.1 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 15% | 0.145 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -72.6 | 121.5 | 174.6 | 176.4 | 0 | 0 | 0 | 0 | 108.4 | D703 H708 | D703-V706 HydrophobicContact CB-CG2 3.97Å; D703-V706 WeakPolarHBondContact O-CB 3.18Å; D703-V706 PolarHBondContact O-N 2.86Å; V706-H708 PolarHBondContact O-N 3.41Å |
| 707 | R | 81.2 | Confident | 86.5 | Confident | 81 Ų | 81 | 62.9 Ų | 62.9 | 31% | 0.306 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -51 | -57.7 | -176.4 | -177.8 | -170.7 | 178 | 88.3 | -6.5 | 111.9 | E545 R705 S712 Q885 | E545-R707 IonicContact OE1-CZ 2.66Å; E545-R707 IonicContact OE1-NE 3.23Å; E545-R707 PolarHBondContact OE1-NE 3.33Å; E545-R707 IonicContact OE1-NH2 3.7Å; E545-R707 PolarHBondContact OE1-NH2 3.3Å; E545-R707 IonicContact OE2-NH2 3.75Å; E545-R707 PolarHBondContact OE2-NH2 2.9Å; R705-R707 PolarHBondContact O-N 2.97Å; R707-S712 PolarHBondContact O-OG 2.94Å; R707-S712 VanDerWaalsContact O-OG 3.1Å; R707-Q885 VanDerWaalsContact NH1-CD 3.3Å; R707-Q885 VanDerWaalsContact NH2-OE1 3.13Å |
| 708 | H | 87.7 | Confident | 86.9 | Confident | 48 Ų | 48 | 61 Ų | 61 | 22% | 0.222 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -131.7 | 102.4 | 179.4 | -63 | -40.9 | 0 | 0 | 0 | 109.8 | E545 M552 V706 S712 V713 | E545-H708 IonicContact OE1-CD2 2.84Å; E545-H708 IonicContact OE1-NE2 2.86Å; E545-H708 PolarHBondContact OE1-NE2 3.37Å; M552-H708 HydrophobicContact CB-CB 3.84Å; M552-H708 HydrophobicContact CG-CB 3.72Å; V706-H708 PolarHBondContact O-N 3.41Å; H708-S712 WeakPolarHBondContact CA-OG 3.28Å; H708-V713 HydrophobicContact CB-CG2 3.93Å |
| 709 | S | 89.6 | Confident | 87.4 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.014 | 32% | 0.324 | C | S | . | . | trans | -114.1 | 167.8 | 161.3 | 71.5 | 0 | 0 | 0 | 0 | 108.5 | D699 R701 W711 S712 V713 | D699-S709 WeakPolarHBondContact O-CA 3.07Å; D699-S709 WeakPolarHBondContact O-CB 3.13Å; R701-S709 WeakPolarHBondContact O-CB 3.38Å; R701-S709 PolarHBondContact O-OG 3.25Å; R701-S709 VanDerWaalsContact O-OG 3.11Å; S709-W711 PolarHBondContact O-N 3.24Å; S709-W711 PolarHBondContact OG-N 2.69Å; S709-S712 PolarHBondContact N-OG 3.33Å; S709-S712 PolarHBondContact O-N 3.22Å; S709-S712 PolarHBondContact O-OG 3.03Å; S709-S712 PolarHBondContact OG-N 3.33Å; S709-S712 VanDerWaalsContact OG-N 3.16Å; S709-V713 WeakPolarHBondContact O-CG2 3.39Å; S709-V713 PolarHBondContact O-N 2.9Å | ||
| 710 | I | 91.7 | Very high | 87.9 | Confident | 30 Ų | 30 | 65.2 Ų | 65.2 | 15% | 0.154 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -52.8 | -42.4 | 174.5 | -63.3 | -177.8 | 0 | 0 | 0 | 109.9 | M552 Y555 D699 V700 V714 | M552-I710 HydrophobicContact CE-CG1 3.89Å; M552-I710 HydrophobicContact SD-CG1 4.42Å; Y555-I710 HydrophobicContact CD1-CG2 4.25Å; Y555-I710 HydrophobicContact CD2-CG1 4.37Å; Y555-I710 HydrophobicContact CE1-CD1 4.18Å; Y555-I710 HydrophobicContact CE1-CG1 4.13Å; Y555-I710 HydrophobicContact CE1-CG2 4.05Å; Y555-I710 HydrophobicContact CE2-CD1 4.22Å; Y555-I710 HydrophobicContact CE2-CG1 3.8Å; Y555-I710 WeakPolarHBondContact OH-CD1 3.41Å; D699-I710 PolarHBondContact O-N 3.12Å; V700-I710 HydrophobicContact CG1-CD1 3.75Å; I710-V714 HydrophobicContact CG2-CG2 4.23Å; I710-V714 VanDerWaalsContact O-CB 3.24Å; I710-V714 WeakPolarHBondContact O-CB 3.23Å; I710-V714 WeakPolarHBondContact O-CG2 3.48Å; I710-V714 PolarHBondContact O-N 3.45Å |
| 711 | W | 90.1 | Very high | 88.2 | Confident | 120 Ų | 120 | 61.5 Ų | 61.5 | 46% | 0.455 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70 | -43.5 | -179.4 | -56.4 | 112.2 | 0 | 0 | 0 | 112.9 | V700 I702 S709 I715 | V700-W711 PolarHBondContact O-NE1 3.32Å; I702-W711 HydrophobicContact CG1-CG 4.32Å; S709-W711 PolarHBondContact O-N 3.24Å; S709-W711 PolarHBondContact OG-N 2.69Å; W711-I715 HydrophobicContact CB-CD1 4.43Å; W711-I715 HydrophobicContact CE3-CD1 4.28Å; W711-I715 VanDerWaalsContact O-CB 3.24Å; W711-I715 WeakPolarHBondContact O-CB 3.48Å; W711-I715 WeakPolarHBondContact O-CG1 3.18Å; W711-I715 PolarHBondContact O-N 3.27Å |
| 712 | S | 89.7 | Confident | 88.5 | Confident | 35 Ų | 35 | 57.7 Ų | 57.7 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -67.9 | -38 | -179.4 | 77.8 | 0 | 0 | 0 | 0 | 111.7 | R707 H708 S709 G716 | R707-S712 PolarHBondContact O-OG 2.94Å; R707-S712 VanDerWaalsContact O-OG 3.1Å; H708-S712 WeakPolarHBondContact CA-OG 3.28Å; S709-S712 PolarHBondContact N-OG 3.33Å; S709-S712 PolarHBondContact O-N 3.22Å; S709-S712 PolarHBondContact O-OG 3.03Å; S709-S712 PolarHBondContact OG-N 3.33Å; S709-S712 VanDerWaalsContact OG-N 3.16Å; S712-G716 VanDerWaalsContact O-CA 3.27Å; S712-G716 WeakPolarHBondContact O-CA 3.33Å; S712-G716 PolarHBondContact O-N 3.42Å |
| 713 | V | 92 | Very high | 88.9 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.03 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -74.2 | -46.9 | 178.5 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | M552 Y556 H708 S709 G717 | M552-V713 HydrophobicContact CG-CG2 4.27Å; Y556-V713 HydrophobicContact CD2-CG1 3.7Å; Y556-V713 HydrophobicContact CE2-CG1 3.89Å; H708-V713 HydrophobicContact CB-CG2 3.93Å; S709-V713 WeakPolarHBondContact O-CG2 3.39Å; S709-V713 PolarHBondContact O-N 2.9Å; V713-G717 WeakPolarHBondContact O-CA 3.35Å; V713-G717 PolarHBondContact O-N 3.49Å |
| 714 | V | 93.4 | Very high | 89.2 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 16% | 0.164 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -68.7 | -52.5 | -178.7 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | Y555 I710 T718 | Y555-V714 HydrophobicContact CD1-CG2 4.14Å; I710-V714 HydrophobicContact CG2-CG2 4.23Å; I710-V714 VanDerWaalsContact O-CB 3.24Å; I710-V714 WeakPolarHBondContact O-CB 3.23Å; I710-V714 WeakPolarHBondContact O-CG2 3.48Å; I710-V714 PolarHBondContact O-N 3.45Å; V714-T718 WeakPolarHBondContact O-CB 3.26Å; V714-T718 PolarHBondContact O-N 2.91Å; V714-T718 PolarHBondContact O-OG1 3.02Å |
| 715 | I | 92.2 | Very high | 89.7 | Confident | 93 Ų | 93 | 43.7 Ų | 43.7 | 48% | 0.477 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -69.7 | -53.9 | -177.2 | -60.6 | 170.4 | 0 | 0 | 0 | 110.3 | W711 G717 T718 F719 | W711-I715 HydrophobicContact CB-CD1 4.43Å; W711-I715 HydrophobicContact CE3-CD1 4.28Å; W711-I715 VanDerWaalsContact O-CB 3.24Å; W711-I715 WeakPolarHBondContact O-CB 3.48Å; W711-I715 WeakPolarHBondContact O-CG1 3.18Å; W711-I715 PolarHBondContact O-N 3.27Å; I715-G717 PolarHBondContact O-N 3.01Å; I715-T718 PolarHBondContact O-N 3.47Å; I715-F719 HydrophobicContact CG2-CD2 4.28Å; I715-F719 HydrophobicContact CG2-CE2 4.24Å; I715-F719 WeakPolarHBondContact O-CD2 3.4Å; I715-F719 PolarHBondContact O-N 2.93Å |
| 716 | G | 89.3 | Confident | 90 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 34% | 0.34 | 17% | 0.17 | S | C | . | . | I | π-helix | trans | -61.2 | -47.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S712 T718 F719 T720 | S712-G716 VanDerWaalsContact O-CA 3.27Å; S712-G716 WeakPolarHBondContact O-CA 3.33Å; S712-G716 PolarHBondContact O-N 3.42Å; G716-T718 PolarHBondContact O-N 3.47Å; G716-F719 PolarHBondContact O-N 2.69Å; G716-T720 PolarHBondContact O-N 2.98Å; G716-T720 PolarHBondContact O-OG1 3.31Å |
| 717 | G | 90.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.4 | -40.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V713 I715 F719 T720 V721 | V713-G717 WeakPolarHBondContact O-CA 3.35Å; V713-G717 PolarHBondContact O-N 3.49Å; I715-G717 PolarHBondContact O-N 3.01Å; G717-F719 PolarHBondContact O-N 3.23Å; G717-T720 PolarHBondContact O-N 3.32Å; G717-V721 WeakPolarHBondContact O-CG2 3.48Å; G717-V721 PolarHBondContact O-N 3.17Å |
| 718 | T | 93.8 | Very high | 90.8 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 14% | 0.135 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.1 | -50.2 | 174.7 | -73.3 | 0 | 0 | 0 | 0 | 111.8 | V563 V714 I715 G716 V721 I722 | V563-T718 HydrophobicContact CG2-CG2 3.86Å; V714-T718 WeakPolarHBondContact O-CB 3.26Å; V714-T718 PolarHBondContact O-N 2.91Å; V714-T718 PolarHBondContact O-OG1 3.02Å; I715-T718 PolarHBondContact O-N 3.47Å; G716-T718 PolarHBondContact O-N 3.47Å; T718-V721 PolarHBondContact O-N 3.35Å; T718-I722 HydrophobicContact CG2-CD1 3.73Å; T718-I722 HydrophobicContact CG2-CG1 4.48Å; T718-I722 WeakPolarHBondContact O-CB 3.27Å; T718-I722 WeakPolarHBondContact O-CG1 3.36Å; T718-I722 PolarHBondContact O-N 2.81Å |
| 719 | F | 92.1 | Very high | 91 | Very high | 124 Ų | 124 | 26.5 Ų | 26.5 | 54% | 0.544 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -67.9 | -37.1 | 178.1 | -76.3 | -79.5 | 0 | 0 | 0 | 112.6 | I715 G716 G717 C723 L899 | I715-F719 HydrophobicContact CG2-CD2 4.28Å; I715-F719 HydrophobicContact CG2-CE2 4.24Å; I715-F719 WeakPolarHBondContact O-CD2 3.4Å; I715-F719 PolarHBondContact O-N 2.93Å; G716-F719 PolarHBondContact O-N 2.69Å; G717-F719 PolarHBondContact O-N 3.23Å; F719-C723 WeakPolarHBondContact O-CB 3.39Å; F719-C723 PolarHBondContact O-N 3.13Å; F719-L899 HydrophobicContact CB-CD2 4.39Å; F719-L899 HydrophobicContact CD1-CD2 3.87Å; F719-L899 WeakPolarHBondContact O-CD2 3.46Å |
| 720 | T | 90.3 | Very high | 90.9 | Very high | 22 Ų | 22 | 26.4 Ų | 26.4 | 14% | 0.135 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 175.6 | -60 | 0 | 0 | 0 | 0 | 112 | G716 G717 C723 Q724 L888 F891 | G716-T720 PolarHBondContact O-N 2.98Å; G716-T720 PolarHBondContact O-OG1 3.31Å; G717-T720 PolarHBondContact O-N 3.32Å; T720-C723 WeakPolarHBondContact O-CB 3.34Å; T720-C723 PolarHBondContact O-N 2.93Å; T720-Q724 WeakPolarHBondContact O-CG 3.49Å; T720-Q724 PolarHBondContact O-N 3.15Å; T720-Q724 VanDerWaalsContact O-N 3.14Å; T720-L888 HydrophobicContact CG2-CD2 4.21Å; T720-F891 HydrophobicContact CG2-CB 4.14Å |
| 721 | V | 91.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -72.7 | -38.3 | -179.4 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | Y556 V559 Y560 V563 F564 G717 T718 C723 Q724 F725 | Y556-V721 HydrophobicContact CD1-CG2 4.05Å; Y556-V721 HydrophobicContact CE1-CG2 3.71Å; V559-V721 HydrophobicContact CG1-CB 4.13Å; V559-V721 HydrophobicContact CG1-CG2 3.76Å; Y560-V721 HydrophobicContact CD1-CG1 4.36Å; Y560-V721 HydrophobicContact CE1-CG1 4.39Å; Y560-V721 HydrophobicContact CE1-CG2 4.09Å; V563-V721 HydrophobicContact CB-CB 4.41Å; V563-V721 HydrophobicContact CB-CG1 4.15Å; V563-V721 HydrophobicContact CG1-CB 4Å; V563-V721 HydrophobicContact CG1-CG1 3.6Å; V563-V721 HydrophobicContact CG2-CB 4.28Å; F564-V721 HydrophobicContact CE1-CG1 4.19Å; F564-V721 HydrophobicContact CZ-CG1 4.48Å; G717-V721 WeakPolarHBondContact O-CG2 3.48Å; G717-V721 PolarHBondContact O-N 3.17Å; T718-V721 PolarHBondContact O-N 3.35Å; V721-C723 VanDerWaalsContact C-N 3.26Å; V721-C723 PolarHBondContact O-N 3.18Å; V721-Q724 PolarHBondContact O-N 3.37Å; V721-F725 HydrophobicContact CG1-CD2 3.74Å; V721-F725 HydrophobicContact CG1-CE2 3.9Å; V721-F725 WeakPolarHBondContact O-CD2 3.41Å; V721-F725 PolarHBondContact O-N 2.91Å |
| 722 | I | 92.3 | Very high | 90.5 | Very high | 12 Ų | 12 | 19.2 Ų | 19.2 | 6% | 0.062 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58 | -44.1 | 173.4 | -71.4 | 171 | 0 | 0 | 0 | 109.9 | V563 Y571 T718 Q724 F725 T726 L899 | V563-I722 HydrophobicContact CB-CG1 4.32Å; V563-I722 HydrophobicContact CG1-CB 4.46Å; V563-I722 HydrophobicContact CG1-CG1 3.6Å; V563-I722 HydrophobicContact CG2-CD1 4.4Å; V563-I722 HydrophobicContact CG2-CG1 3.9Å; Y571-I722 HydrophobicContact CE2-CG2 4.22Å; T718-I722 HydrophobicContact CG2-CD1 3.73Å; T718-I722 HydrophobicContact CG2-CG1 4.48Å; T718-I722 WeakPolarHBondContact O-CB 3.27Å; T718-I722 WeakPolarHBondContact O-CG1 3.36Å; T718-I722 PolarHBondContact O-N 2.81Å; I722-Q724 PolarHBondContact O-N 3.47Å; I722-F725 PolarHBondContact O-N 3.04Å; I722-T726 HydrophobicContact CG2-CG2 3.93Å; I722-T726 WeakPolarHBondContact O-CB 3.37Å; I722-T726 WeakPolarHBondContact O-CG2 3.3Å; I722-T726 PolarHBondContact O-N 2.91Å; I722-T726 PolarHBondContact O-OG1 3.33Å; I722-L899 HydrophobicContact CB-CD2 4.14Å; I722-L899 HydrophobicContact CG2-CD1 3.57Å; I722-L899 HydrophobicContact CG2-CD2 3.86Å; I722-L899 HydrophobicContact CG2-CG 4.38Å |
| 723 | C | 90.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.007 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.1 | -48.8 | 176.7 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | F719 T720 V721 F725 T727 N728 G895 L899 | F719-C723 WeakPolarHBondContact O-CB 3.39Å; F719-C723 PolarHBondContact O-N 3.13Å; T720-C723 WeakPolarHBondContact O-CB 3.34Å; T720-C723 PolarHBondContact O-N 2.93Å; V721-C723 VanDerWaalsContact C-N 3.26Å; V721-C723 PolarHBondContact O-N 3.18Å; C723-F725 VanDerWaalsContact C-N 3.3Å; C723-F725 PolarHBondContact O-N 2.89Å; C723-T727 PolarHBondContact O-N 3.13Å; C723-T727 VanDerWaalsContact O-N 3.17Å; C723-T727 PolarHBondContact O-OG1 2.95Å; C723-T727 PolarHBondContact SG-OG1 3.28Å; C723-T727 VanDerWaalsContact SG-OG1 3.36Å; C723-N728 PolarHBondContact O-N 3.41Å; C723-G895 WeakPolarHBondContact SG-CA 3.31Å; C723-G895 PolarHBondContact SG-O 2.86Å; C723-L899 HydrophobicContact CB-CB 4.23Å; C723-L899 HydrophobicContact CB-CD2 4.12Å |
| 724 | Q | 90 | Very high | 89.8 | Confident | 22 Ų | 22 | 18.1 Ų | 18.1 | 10% | 0.103 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.3 | -39.7 | 177.7 | -71.7 | 171.2 | -8.4 | 0 | 0 | 112.4 | Y533 T720 V721 I722 N728 F891 | Y533-Q724 HydrophobicContact CD1-CB 4.14Å; Y533-Q724 HydrophobicContact CD1-CG 4.15Å; Y533-Q724 HydrophobicContact CE1-CB 3.82Å; Y533-Q724 HydrophobicContact CE1-CG 4.04Å; Y533-Q724 HydrophobicContact CE2-CB 4.41Å; Y533-Q724 PolarHBondContact OH-O 2.99Å; T720-Q724 WeakPolarHBondContact O-CG 3.49Å; T720-Q724 PolarHBondContact O-N 3.15Å; T720-Q724 VanDerWaalsContact O-N 3.14Å; V721-Q724 PolarHBondContact O-N 3.37Å; I722-Q724 PolarHBondContact O-N 3.47Å; Q724-N728 WeakPolarHBondContact O-CB 3.35Å; Q724-F891 HydrophobicContact CG-CD1 3.81Å; Q724-F891 HydrophobicContact CG-CD2 4.42Å; Q724-F891 HydrophobicContact CG-CE1 3.78Å; Q724-F891 HydrophobicContact CG-CE2 4.38Å; Q724-F891 HydrophobicContact CG-CG 4.15Å; Q724-F891 HydrophobicContact CG-CZ 4.07Å; Q724-F891 VanDerWaalsContact NE2-CD2 3.35Å |
| 725 | F | 91 | Very high | 89.4 | Confident | 3 Ų | 3 | 16.9 Ų | 16.9 | 1% | 0.013 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -99.1 | -1.7 | -172.9 | -73.5 | -104 | 0 | 0 | 0 | 114.6 | L529 Y533 F564 V567 V721 I722 C723 Y735 | L529-F725 HydrophobicContact CD1-CE1 4.19Å; L529-F725 HydrophobicContact CD2-CD1 4.1Å; L529-F725 HydrophobicContact CD2-CE1 3.73Å; L529-F725 HydrophobicContact CG-CD1 4.5Å; L529-F725 HydrophobicContact CG-CE1 3.83Å; Y533-F725 HydrophobicContact CD2-CD2 4.35Å; Y533-F725 HydrophobicContact CD2-CE1 4.11Å; Y533-F725 AromaticContact CD2-CE2 3.65Å; Y533-F725 HydrophobicContact CD2-CE2 3.65Å; Y533-F725 AromaticContact CD2-CZ 3.52Å; Y533-F725 HydrophobicContact CD2-CZ 3.52Å; Y533-F725 HydrophobicContact CE2-CD2 4.29Å; Y533-F725 HydrophobicContact CE2-CE1 4.29Å; Y533-F725 HydrophobicContact CE2-CE2 4.04Å; Y533-F725 HydrophobicContact CE2-CZ 4.05Å; Y533-F725 HydrophobicContact CG-CE2 4.25Å; Y533-F725 HydrophobicContact CG-CZ 4.37Å; F564-F725 HydrophobicContact CD1-CD1 4.21Å; F564-F725 HydrophobicContact CD1-CE1 4.27Å; F564-F725 HydrophobicContact CD1-CG 4.5Å; F564-F725 AromaticContact CE1-CD1 3.69Å; F564-F725 HydrophobicContact CE1-CD1 3.69Å; F564-F725 AromaticContact CE1-CD2 3.91Å; F564-F725 HydrophobicContact CE1-CD2 3.91Å; F564-F725 AromaticContact CE1-CE1 3.43Å; F564-F725 HydrophobicContact CE1-CE1 3.43Å; F564-F725 VanDerWaalsContact CE1-CE1 3.43Å; F564-F725 AromaticContact CE1-CE2 3.68Å; F564-F725 HydrophobicContact CE1-CE2 3.68Å; F564-F725 AromaticContact CE1-CG 3.94Å; F564-F725 HydrophobicContact CE1-CG 3.94Å; F564-F725 AromaticContact CE1-CZ 3.43Å; F564-F725 HydrophobicContact CE1-CZ 3.43Å; F564-F725 VanDerWaalsContact CE1-CZ 3.43Å; F564-F725 HydrophobicContact CZ-CE1 4.1Å; F564-F725 HydrophobicContact CZ-CE2 4.11Å; F564-F725 AromaticContact CZ-CZ 3.76Å; F564-F725 HydrophobicContact CZ-CZ 3.76Å; V567-F725 HydrophobicContact CG1-CB 4.29Å; V567-F725 HydrophobicContact CG2-CB 4.06Å; V721-F725 HydrophobicContact CG1-CD2 3.74Å; V721-F725 HydrophobicContact CG1-CE2 3.9Å; V721-F725 WeakPolarHBondContact O-CD2 3.41Å; V721-F725 PolarHBondContact O-N 2.91Å; I722-F725 PolarHBondContact O-N 3.04Å; C723-F725 VanDerWaalsContact C-N 3.3Å; C723-F725 PolarHBondContact O-N 2.89Å; F725-Y735 WeakPolarHBondContact CA-OH 3.34Å; F725-Y735 VanDerWaalsContact CD1-OH 3.3Å; F725-Y735 WeakPolarHBondContact CD1-OH 3.28Å; F725-Y735 WeakPolarHBondContact O-CE2 3.4Å; F725-Y735 PolarHBondContact O-OH 3.41Å |
| 726 | T | 89.1 | Confident | 88.8 | Confident | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -123.6 | -39 | -178.8 | 61.9 | 0 | 0 | 0 | 0 | 114.2 | V567 Y571 M575 I722 V732 | V567-T726 HydrophobicContact CB-CG2 4.4Å; V567-T726 HydrophobicContact CG1-CG2 4.01Å; V567-T726 HydrophobicContact CG2-CG2 3.68Å; Y571-T726 HydrophobicContact CD1-CG2 3.69Å; Y571-T726 HydrophobicContact CD2-CG2 3.92Å; Y571-T726 HydrophobicContact CE1-CG2 4.15Å; Y571-T726 HydrophobicContact CE2-CG2 4.36Å; Y571-T726 HydrophobicContact CG-CG2 3.55Å; M575-T726 VanDerWaalsContact CE-O 3.3Å; M575-T726 WeakPolarHBondContact CE-O 3.41Å; I722-T726 HydrophobicContact CG2-CG2 3.93Å; I722-T726 WeakPolarHBondContact O-CB 3.37Å; I722-T726 WeakPolarHBondContact O-CG2 3.3Å; I722-T726 PolarHBondContact O-N 2.91Å; I722-T726 PolarHBondContact O-OG1 3.33Å; T726-V732 VanDerWaalsContact O-CG2 3.29Å; T726-V732 WeakPolarHBondContact O-CG2 3.14Å |
| 727 | T | 88.5 | Confident | 88.2 | Confident | 2 Ų | 2 | 11.5 Ų | 11.5 | 1% | 0.012 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -14.7 | -174.1 | 62 | 0 | 0 | 0 | 0 | 113 | Y584 C723 L899 F902 | Y584-T727 PolarHBondContact OH-O 2.86Å; C723-T727 PolarHBondContact O-N 3.13Å; C723-T727 VanDerWaalsContact O-N 3.17Å; C723-T727 PolarHBondContact O-OG1 2.95Å; C723-T727 PolarHBondContact SG-OG1 3.28Å; C723-T727 VanDerWaalsContact SG-OG1 3.36Å; T727-L899 HydrophobicContact CG2-CB 4.36Å; T727-L899 HydrophobicContact CG2-CD1 4.03Å; T727-F902 HydrophobicContact CG2-CB 3.59Å; T727-F902 HydrophobicContact CG2-CD1 4.44Å; T727-F902 HydrophobicContact CG2-CD2 3.41Å; T727-F902 VanDerWaalsContact CG2-CD2 3.41Å; T727-F902 HydrophobicContact CG2-CE2 4.18Å; T727-F902 HydrophobicContact CG2-CG 3.56Å |
| 728 | N | 90.7 | Very high | 87.8 | Confident | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | trans | -88.4 | 122.3 | 178.8 | -167.8 | -52.8 | 0 | 0 | 0 | 111.7 | M607 C723 Q724 M730 G731 V732 | M607-N728 WeakPolarHBondContact CE-ND2 3.2Å; M607-N728 PolarHBondContact SD-ND2 3.37Å; M607-N728 VanDerWaalsContact SD-ND2 3.44Å; C723-N728 PolarHBondContact O-N 3.41Å; Q724-N728 WeakPolarHBondContact O-CB 3.35Å; N728-M730 PolarHBondContact O-N 3.48Å; N728-M730 WeakPolarHBondContact OD1-CB 3.43Å; N728-M730 WeakPolarHBondContact OD1-CG 3.42Å; N728-M730 PolarHBondContact OD1-N 3.06Å; N728-G731 PolarHBondContact O-N 3.42Å; N728-V732 WeakPolarHBondContact O-CG2 3.35Å; N728-V732 PolarHBondContact O-N 3.15Å; N728-V732 VanDerWaalsContact O-N 3.15Å | ||
| 729 | Q | 91.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.2 | -28.9 | -177.6 | -176.5 | 69 | 22.9 | 0 | 0 | 113.8 | I581 F603 G731 V732 Q733 A827 V831 | I581-Q729 PolarHBondContact O-NE2 2.97Å; F603-Q729 HydrophobicContact CE1-CB 4.02Å; F603-Q729 HydrophobicContact CE2-CB 3.93Å; F603-Q729 HydrophobicContact CZ-CB 3.47Å; F603-Q729 VanDerWaalsContact CZ-CB 3.47Å; Q729-G731 VanDerWaalsContact C-N 3.27Å; Q729-G731 PolarHBondContact O-N 3.37Å; Q729-V732 PolarHBondContact O-N 2.97Å; Q729-Q733 WeakPolarHBondContact O-CB 3.3Å; Q729-Q733 VanDerWaalsContact O-CG 3.25Å; Q729-Q733 WeakPolarHBondContact O-CG 3.35Å; Q729-Q733 PolarHBondContact O-N 3.35Å; Q729-Q733 VanDerWaalsContact O-N 3.12Å; Q729-A827 HydrophobicContact CB-CB 4.01Å; Q729-A827 HydrophobicContact CG-CB 3.86Å; Q729-V831 HydrophobicContact CB-CG2 4.09Å; Q729-V831 HydrophobicContact CG-CG2 3.86Å |
| 730 | M | 88.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.4 | -39.5 | -179.6 | -62 | -169.8 | -70.5 | 0 | 0 | 112.2 | T532 Y533 M607 Y610 I611 N728 Q733 A827 F891 | T532-M730 HydrophobicContact CG2-CB 3.53Å; T532-M730 HydrophobicContact CG2-CG 4.45Å; T532-M730 HydrophobicContact CG2-SD 4.22Å; Y533-M730 HydrophobicContact CD1-CE 4.37Å; Y533-M730 HydrophobicContact CE1-CE 3.65Å; M607-M730 HydrophobicContact CE-CE 4.42Å; M607-M730 HydrophobicContact SD-CE 3.69Å; M607-M730 HydrophobicContact SD-CG 4.16Å; M607-M730 HydrophobicContact SD-SD 4.01Å; Y610-M730 HydrophobicContact CD1-CE 4.01Å; Y610-M730 HydrophobicContact CE1-CE 3.7Å; I611-M730 HydrophobicContact CD1-SD 3.79Å; N728-M730 PolarHBondContact O-N 3.48Å; N728-M730 WeakPolarHBondContact OD1-CB 3.43Å; N728-M730 WeakPolarHBondContact OD1-CG 3.42Å; N728-M730 PolarHBondContact OD1-N 3.06Å; M730-Q733 WeakPolarHBondContact O-CG 3.23Å; M730-Q733 PolarHBondContact O-NE2 3.19Å; M730-Q733 VanDerWaalsContact O-NE2 3.08Å; M730-A827 HydrophobicContact CB-CB 4.38Å; M730-A827 HydrophobicContact CG-CB 3.72Å; M730-F891 HydrophobicContact CE-CZ 4.42Å |
| 731 | G | 86.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -81.7 | -50.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y533 N728 Q729 Q733 R734 Y735 | Y533-G731 PolarHBondContact OH-N 2.92Å; Y533-G731 VanDerWaalsContact OH-N 3.13Å; N728-G731 PolarHBondContact O-N 3.42Å; Q729-G731 VanDerWaalsContact C-N 3.27Å; Q729-G731 PolarHBondContact O-N 3.37Å; G731-Q733 VanDerWaalsContact C-N 3.28Å; G731-Q733 PolarHBondContact O-N 3Å; G731-R734 WeakPolarHBondContact O-CB 3.49Å; G731-R734 PolarHBondContact O-N 3.35Å; G731-Y735 WeakPolarHBondContact O-CE1 3.34Å |
| 732 | V | 86.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.1 | -36.9 | -172 | 175.6 | 0 | 0 | 0 | 0 | 112.9 | M575 V583 T726 N728 Q729 R734 Y735 F736 | M575-V732 HydrophobicContact CE-CG2 4.25Å; V583-V732 HydrophobicContact CB-CB 4.4Å; V583-V732 HydrophobicContact CB-CG1 3.93Å; V583-V732 HydrophobicContact CG2-CB 4.47Å; V583-V732 HydrophobicContact CG2-CG1 3.84Å; V583-V732 HydrophobicContact CG2-CG2 4.26Å; T726-V732 VanDerWaalsContact O-CG2 3.29Å; T726-V732 WeakPolarHBondContact O-CG2 3.14Å; N728-V732 WeakPolarHBondContact O-CG2 3.35Å; N728-V732 PolarHBondContact O-N 3.15Å; N728-V732 VanDerWaalsContact O-N 3.15Å; Q729-V732 PolarHBondContact O-N 2.97Å; V732-R734 PolarHBondContact O-N 3.1Å; V732-Y735 HydrophobicContact CB-CD2 4.47Å; V732-Y735 HydrophobicContact CB-CE2 4.43Å; V732-Y735 HydrophobicContact CG2-CE2 4.13Å; V732-Y735 PolarHBondContact O-N 3.37Å; V732-Y735 VanDerWaalsContact O-N 3.08Å; V732-F736 HydrophobicContact CG1-CD2 4.15Å; V732-F736 HydrophobicContact CG1-CE1 4.31Å; V732-F736 HydrophobicContact CG1-CE2 3.41Å; V732-F736 VanDerWaalsContact CG1-CE2 3.41Å; V732-F736 HydrophobicContact CG1-CZ 3.5Å; V732-F736 PolarHBondContact O-N 2.63Å |
| 733 | Q | 82.4 | Confident | 87.3 | Confident | 11 Ų | 11 | 21.1 Ų | 21.1 | 5% | 0.051 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.7 | -31.7 | 177.3 | 69.3 | -169.4 | -10.1 | 0 | 0 | 113.1 | L515 Q729 M730 G731 Y735 F736 S737 | L515-Q733 HydrophobicContact CD2-CB 4.1Å; Q729-Q733 WeakPolarHBondContact O-CB 3.3Å; Q729-Q733 VanDerWaalsContact O-CG 3.25Å; Q729-Q733 WeakPolarHBondContact O-CG 3.35Å; Q729-Q733 PolarHBondContact O-N 3.35Å; Q729-Q733 VanDerWaalsContact O-N 3.12Å; M730-Q733 WeakPolarHBondContact O-CG 3.23Å; M730-Q733 PolarHBondContact O-NE2 3.19Å; M730-Q733 VanDerWaalsContact O-NE2 3.08Å; G731-Q733 VanDerWaalsContact C-N 3.28Å; G731-Q733 PolarHBondContact O-N 3Å; Q733-Y735 VanDerWaalsContact C-N 3.33Å; Q733-F736 PolarHBondContact O-N 2.85Å; Q733-S737 PolarHBondContact O-N 3.42Å |
| 734 | R | 83.8 | Confident | 87.3 | Confident | 6 Ų | 6 | 21 Ų | 21 | 2% | 0.023 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -75.8 | -22.1 | -178.8 | -63.6 | 173.2 | 174.3 | -86.6 | 4.2 | 112.4 | V525 A528 T532 S657 G731 V732 S737 S823 | V525-R734 HydrophobicContact CG1-CB 4.07Å; A528-R734 VanDerWaalsContact C-CZ 3.43Å; A528-R734 VanDerWaalsContact C-NH1 3.26Å; A528-R734 PolarHBondContact O-NH1 3.27Å; A528-R734 PolarHBondContact O-NH2 3.11Å; A528-R734 VanDerWaalsContact O-NH2 3.1Å; T532-R734 PolarHBondContact OG1-NE 3.44Å; T532-R734 PolarHBondContact OG1-NH2 3.42Å; S657-R734 PolarHBondContact OG-NH2 2.81Å; G731-R734 WeakPolarHBondContact O-CB 3.49Å; G731-R734 PolarHBondContact O-N 3.35Å; V732-R734 PolarHBondContact O-N 3.1Å; R734-S737 PolarHBondContact O-OG 3.09Å; R734-S823 PolarHBondContact NH2-OG 2.99Å |
| 735 | Y | 84.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -76.2 | -39.4 | 176.2 | -44.2 | -26.2 | 0 | 0 | 0 | 110 | L529 L572 Y576 F725 G731 V732 Q733 S737 M738 M747 I748 | L529-Y735 HydrophobicContact CD1-CE1 4.14Å; L529-Y735 HydrophobicContact CD2-CE1 3.66Å; L572-Y735 HydrophobicContact CD1-CD2 3.7Å; L572-Y735 HydrophobicContact CD1-CG 3.94Å; Y576-Y735 WeakPolarHBondContact CE2-O 3.44Å; F725-Y735 WeakPolarHBondContact CA-OH 3.34Å; F725-Y735 VanDerWaalsContact CD1-OH 3.3Å; F725-Y735 WeakPolarHBondContact CD1-OH 3.28Å; F725-Y735 WeakPolarHBondContact O-CE2 3.4Å; F725-Y735 PolarHBondContact O-OH 3.41Å; G731-Y735 WeakPolarHBondContact O-CE1 3.34Å; V732-Y735 HydrophobicContact CB-CD2 4.47Å; V732-Y735 HydrophobicContact CB-CE2 4.43Å; V732-Y735 HydrophobicContact CG2-CE2 4.13Å; V732-Y735 PolarHBondContact O-N 3.37Å; V732-Y735 VanDerWaalsContact O-N 3.08Å; Q733-Y735 VanDerWaalsContact C-N 3.33Å; Y735-S737 PolarHBondContact O-N 3.21Å; Y735-M738 WeakPolarHBondContact O-CB 3.49Å; Y735-M738 PolarHBondContact O-N 3.49Å; Y735-M738 VanDerWaalsContact O-N 3.13Å; Y735-M747 HydrophobicContact CD1-CE 3.58Å; Y735-M747 HydrophobicContact CD1-SD 4.24Å; Y735-M747 HydrophobicContact CE1-CE 3.71Å; Y735-I748 HydrophobicContact CD1-CD1 4.07Å; Y735-I748 HydrophobicContact CD1-CG1 4.15Å; Y735-I748 HydrophobicContact CD2-CD1 4.26Å; Y735-I748 HydrophobicContact CE1-CD1 3.9Å; Y735-I748 HydrophobicContact CE1-CG1 3.97Å; Y735-I748 HydrophobicContact CE2-CD1 4.08Å; Y735-I748 HydrophobicContact CG-CD1 4.28Å |
| 736 | F | 80.2 | Confident | 87.7 | Confident | 9 Ų | 9 | 26 Ų | 26 | 4% | 0.039 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -72.4 | -14.8 | -179.7 | -58 | -27.6 | 0 | 0 | 0 | 113.6 | M575 Y576 L580 V732 Q733 M738 | M575-F736 HydrophobicContact CB-CE1 4.32Å; M575-F736 HydrophobicContact CB-CZ 4.27Å; M575-F736 WeakPolarHBondContact O-CE1 3.49Å; Y576-F736 HydrophobicContact CD2-CD1 4.44Å; L580-F736 HydrophobicContact CB-CE2 4.4Å; L580-F736 WeakPolarHBondContact O-CD2 3.42Å; L580-F736 WeakPolarHBondContact O-CE2 3.33Å; V732-F736 HydrophobicContact CG1-CD2 4.15Å; V732-F736 HydrophobicContact CG1-CE1 4.31Å; V732-F736 HydrophobicContact CG1-CE2 3.41Å; V732-F736 VanDerWaalsContact CG1-CE2 3.41Å; V732-F736 HydrophobicContact CG1-CZ 3.5Å; V732-F736 PolarHBondContact O-N 2.63Å; Q733-F736 PolarHBondContact O-N 2.85Å; F736-M738 VanDerWaalsContact C-N 3.27Å |
| 737 | S | 76.3 | Confident | 87.8 | Confident | 5 Ų | 5 | 26 Ų | 26 | 4% | 0.035 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -7.7 | 170.9 | 70.5 | 0 | 0 | 0 | 0 | 113.4 | L515 S518 Q733 R734 Y735 | L515-S737 WeakPolarHBondContact O-CB 3.34Å; S518-S737 WeakPolarHBondContact CA-O 3.46Å; Q733-S737 PolarHBondContact O-N 3.42Å; R734-S737 PolarHBondContact O-OG 3.09Å; Y735-S737 PolarHBondContact O-N 3.21Å |
| 738 | M | 83.9 | Confident | 88 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -83.8 | 143.6 | 178.9 | -61.8 | -55.6 | -61.2 | 0 | 0 | 111.8 | V522 V525 Y576 Y735 F736 S740 N743 A744 | V522-M738 HydrophobicContact CB-CE 4.31Å; V522-M738 HydrophobicContact CG2-CE 3.7Å; V525-M738 HydrophobicContact CB-SD 3.96Å; V525-M738 HydrophobicContact CG1-SD 4Å; V525-M738 HydrophobicContact CG2-SD 3.86Å; Y576-M738 PolarHBondContact OH-O 3.35Å; Y735-M738 WeakPolarHBondContact O-CB 3.49Å; Y735-M738 PolarHBondContact O-N 3.49Å; Y735-M738 VanDerWaalsContact O-N 3.13Å; F736-M738 VanDerWaalsContact C-N 3.27Å; M738-S740 VanDerWaalsContact C-N 3.32Å; M738-S740 PolarHBondContact O-N 3.21Å; M738-N743 HydrophobicContact CE-CB 3.75Å; M738-A744 HydrophobicContact CB-CB 3.89Å; M738-A744 HydrophobicContact CG-CB 4.03Å |
| 739 | A | 83.3 | Confident | 88.2 | Confident | 60 Ų | 60 | 28.4 Ų | 28.4 | 50% | 0.496 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -64.5 | -30.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S518 Y576 | S518-A739 WeakPolarHBondContact O-CB 3.44Å; Y576-A739 VanDerWaalsContact OH-C 3.25Å; Y576-A739 PolarHBondContact OH-O 2.94Å |
| 740 | S | 89.7 | Confident | 88.4 | Confident | 42 Ų | 42 | 34.4 Ų | 34.4 | 29% | 0.294 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -144.3 | 155.7 | -178.9 | 70.7 | 0 | 0 | 0 | 0 | 111.7 | Y576 M738 R742 N743 A744 | Y576-S740 WeakPolarHBondContact OH-CA 3.23Å; Y576-S740 PolarHBondContact OH-N 3.43Å; Y576-S740 VanDerWaalsContact OH-N 3.09Å; M738-S740 VanDerWaalsContact C-N 3.32Å; M738-S740 PolarHBondContact O-N 3.21Å; S740-R742 VanDerWaalsContact C-N 3.25Å; S740-R742 PolarHBondContact O-N 3.41Å; S740-N743 PolarHBondContact O-N 3.33Å; S740-N743 VanDerWaalsContact O-N 3.08Å; S740-N743 WeakPolarHBondContact OG-CB 3.45Å; S740-N743 VanDerWaalsContact OG-CG 3.26Å; S740-N743 PolarHBondContact OG-N 2.97Å; S740-A744 PolarHBondContact O-N 3.16Å |
| 741 | L | 91 | Very high | 88.5 | Confident | 50 Ų | 50 | 34.4 Ų | 34.4 | 26% | 0.262 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -55.4 | -43.7 | 174.6 | 173.3 | 58.6 | 0 | 0 | 0 | 110.6 | L572 P573 Y576 N743 A744 Q745 | L572-L741 HydrophobicContact CB-CD1 4.31Å; L572-L741 HydrophobicContact CD2-CD1 3.78Å; L572-L741 HydrophobicContact CG-CD1 3.64Å; P573-L741 HydrophobicContact CB-CD2 4.4Å; Y576-L741 HydrophobicContact CD1-CB 3.64Å; Y576-L741 HydrophobicContact CD1-CD1 4.22Å; Y576-L741 HydrophobicContact CD1-CG 4.45Å; Y576-L741 HydrophobicContact CE1-CB 3.88Å; Y576-L741 HydrophobicContact CG-CB 4.16Å; Y576-L741 HydrophobicContact CG-CD1 3.92Å; L741-N743 VanDerWaalsContact C-N 3.28Å; L741-N743 PolarHBondContact O-N 3.37Å; L741-A744 CarbonylContact O-C 3.56Å; L741-A744 WeakPolarHBondContact O-CB 3.44Å; L741-A744 PolarHBondContact O-N 2.95Å; L741-A744 VanDerWaalsContact O-N 3.09Å; L741-Q745 HydrophobicContact CD1-CG 4.01Å; L741-Q745 HydrophobicContact CG-CG 4.29Å; L741-Q745 VanDerWaalsContact O-CG 3.31Å; L741-Q745 WeakPolarHBondContact O-CG 3.43Å; L741-Q745 PolarHBondContact O-N 3.44Å |
| 742 | R | 92.7 | Very high | 88.9 | Confident | 175 Ų | 175 | 36.3 Ų | 36.3 | 66% | 0.66 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -60.1 | -38.1 | 178.4 | -167.4 | 175.3 | -173.6 | -173.4 | 1.8 | 112.3 | S740 K746 | S740-R742 VanDerWaalsContact C-N 3.25Å; S740-R742 PolarHBondContact O-N 3.41Å; R742-K746 WeakPolarHBondContact O-CG 3.4Å; R742-K746 PolarHBondContact O-N 3.25Å |
| 743 | N | 91.7 | Very high | 89.2 | Confident | 53 Ų | 53 | 39.6 Ų | 39.6 | 28% | 0.283 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -71.5 | -36.9 | 176 | -72.5 | -5 | 0 | 0 | 0 | 111.7 | V522 M738 S740 L741 M747 | V522-N743 HydrophobicContact CG2-CB 4.05Å; M738-N743 HydrophobicContact CE-CB 3.75Å; S740-N743 PolarHBondContact O-N 3.33Å; S740-N743 VanDerWaalsContact O-N 3.08Å; S740-N743 WeakPolarHBondContact OG-CB 3.45Å; S740-N743 VanDerWaalsContact OG-CG 3.26Å; S740-N743 PolarHBondContact OG-N 2.97Å; L741-N743 VanDerWaalsContact C-N 3.28Å; L741-N743 PolarHBondContact O-N 3.37Å; N743-M747 WeakPolarHBondContact O-CB 3.27Å; N743-M747 PolarHBondContact O-N 3.48Å |
| 744 | A | 91.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L572 Y576 M738 S740 L741 M747 I748 | L572-A744 HydrophobicContact CD2-CB 3.73Å; Y576-A744 HydrophobicContact CD2-CB 3.97Å; Y576-A744 HydrophobicContact CE2-CB 3.92Å; M738-A744 HydrophobicContact CB-CB 3.89Å; M738-A744 HydrophobicContact CG-CB 4.03Å; S740-A744 PolarHBondContact O-N 3.16Å; L741-A744 CarbonylContact O-C 3.56Å; L741-A744 WeakPolarHBondContact O-CB 3.44Å; L741-A744 PolarHBondContact O-N 2.95Å; L741-A744 VanDerWaalsContact O-N 3.09Å; A744-M747 WeakPolarHBondContact O-CB 3.45Å; A744-M747 PolarHBondContact O-N 3.27Å; A744-I748 WeakPolarHBondContact O-CG1 3.49Å; A744-I748 PolarHBondContact O-N 3.32Å |
| 745 | Q | 95 | Very high | 90.1 | Very high | 32 Ų | 32 | 40.6 Ų | 40.6 | 15% | 0.15 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.6 | -49.7 | 173.9 | -71.4 | 177.4 | -40.5 | 0 | 0 | 111.8 | A568 L572 L741 M747 I748 L749 | A568-Q745 HydrophobicContact CB-CB 4.33Å; A568-Q745 HydrophobicContact CB-CG 4.34Å; A568-Q745 WeakPolarHBondContact O-CG 3.49Å; A568-Q745 PolarHBondContact O-NE2 2.94Å; L572-Q745 HydrophobicContact CD2-CG 3.84Å; L741-Q745 HydrophobicContact CD1-CG 4.01Å; L741-Q745 HydrophobicContact CG-CG 4.29Å; L741-Q745 VanDerWaalsContact O-CG 3.31Å; L741-Q745 WeakPolarHBondContact O-CG 3.43Å; L741-Q745 PolarHBondContact O-N 3.44Å; Q745-M747 VanDerWaalsContact C-N 3.27Å; Q745-M747 PolarHBondContact O-N 3.4Å; Q745-I748 PolarHBondContact O-N 2.58Å; Q745-L749 WeakPolarHBondContact O-CG 3.41Å; Q745-L749 PolarHBondContact O-N 2.99Å |
| 746 | K | 93.9 | Very high | 90.4 | Very high | 97 Ų | 97 | 41.6 Ų | 41.6 | 42% | 0.422 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.3 | -42.1 | 175 | -75.6 | -179.2 | 179.1 | -173.2 | 0 | 111.6 | V522 R742 L749 W750 | V522-K746 HydrophobicContact CG1-CB 4.14Å; R742-K746 WeakPolarHBondContact O-CG 3.4Å; R742-K746 PolarHBondContact O-N 3.25Å; K746-L749 PolarHBondContact O-N 2.67Å; K746-W750 PolarHBondContact O-N 3.42Å |
| 747 | M | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 178 | -179.3 | -124.7 | 64.1 | 0 | 0 | 111.5 | V522 V525 A526 L529 Y735 N743 A744 Q745 W750 N751 | V522-M747 HydrophobicContact CG1-CB 3.99Å; V525-M747 HydrophobicContact CB-CG 4.14Å; V525-M747 HydrophobicContact CB-SD 4.22Å; V525-M747 HydrophobicContact CG1-CG 4.09Å; V525-M747 HydrophobicContact CG1-SD 3.51Å; V525-M747 VanDerWaalsContact CG1-SD 3.51Å; A526-M747 HydrophobicContact CB-CG 3.89Å; L529-M747 HydrophobicContact CD2-CE 3.41Å; L529-M747 VanDerWaalsContact CD2-CE 3.41Å; L529-M747 HydrophobicContact CD2-SD 4.26Å; Y735-M747 HydrophobicContact CD1-CE 3.58Å; Y735-M747 HydrophobicContact CD1-SD 4.24Å; Y735-M747 HydrophobicContact CE1-CE 3.71Å; N743-M747 WeakPolarHBondContact O-CB 3.27Å; N743-M747 PolarHBondContact O-N 3.48Å; A744-M747 WeakPolarHBondContact O-CB 3.45Å; A744-M747 PolarHBondContact O-N 3.27Å; Q745-M747 VanDerWaalsContact C-N 3.27Å; Q745-M747 PolarHBondContact O-N 3.4Å; M747-W750 PolarHBondContact O-N 2.92Å; M747-N751 PolarHBondContact O-ND2 3.45Å |
| 748 | I | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.7 | -43 | 176.9 | -63.6 | -174 | 0 | 0 | 0 | 110.2 | F564 V567 A568 L572 Y735 A744 Q745 W750 N751 | F564-I748 HydrophobicContact CB-CG2 4Å; F564-I748 HydrophobicContact CD1-CG2 4.07Å; F564-I748 HydrophobicContact CG-CG2 4.38Å; F564-I748 WeakPolarHBondContact O-CG2 3.13Å; V567-I748 HydrophobicContact CB-CG2 4.37Å; V567-I748 HydrophobicContact CG1-CD1 3.62Å; V567-I748 HydrophobicContact CG1-CG2 4.46Å; A568-I748 HydrophobicContact CB-CB 4.3Å; A568-I748 HydrophobicContact CB-CG2 4.28Å; L572-I748 HydrophobicContact CD1-CD1 4.42Å; L572-I748 HydrophobicContact CD2-CD1 3.92Å; Y735-I748 HydrophobicContact CD1-CD1 4.07Å; Y735-I748 HydrophobicContact CD1-CG1 4.15Å; Y735-I748 HydrophobicContact CD2-CD1 4.26Å; Y735-I748 HydrophobicContact CE1-CD1 3.9Å; Y735-I748 HydrophobicContact CE1-CG1 3.97Å; Y735-I748 HydrophobicContact CE2-CD1 4.08Å; Y735-I748 HydrophobicContact CG-CD1 4.28Å; A744-I748 WeakPolarHBondContact O-CG1 3.49Å; A744-I748 PolarHBondContact O-N 3.32Å; Q745-I748 PolarHBondContact O-N 2.58Å; I748-W750 VanDerWaalsContact C-N 3.26Å; I748-W750 PolarHBondContact O-N 3.37Å; I748-N751 VanDerWaalsContact O-CB 3.27Å; I748-N751 WeakPolarHBondContact O-CB 3.36Å; I748-N751 PolarHBondContact O-N 2.92Å |
| 749 | L | 94.9 | Very high | 92.2 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 29% | 0.288 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.1 | -31.1 | 179.3 | -69.3 | 172.5 | 0 | 0 | 0 | 113 | P565 A568 F569 Q745 K746 N751 V752 P753 | P565-L749 HydrophobicContact CB-CD2 4.32Å; P565-L749 HydrophobicContact CG-CD2 4.07Å; A568-L749 HydrophobicContact CB-CD2 4.34Å; A568-L749 HydrophobicContact CB-CG 4.26Å; F569-L749 HydrophobicContact CE2-CD1 4.09Å; F569-L749 HydrophobicContact CE2-CD2 4.22Å; F569-L749 HydrophobicContact CZ-CD1 3.92Å; Q745-L749 WeakPolarHBondContact O-CG 3.41Å; Q745-L749 PolarHBondContact O-N 2.99Å; K746-L749 PolarHBondContact O-N 2.67Å; L749-N751 PolarHBondContact O-N 3.49Å; L749-V752 WeakPolarHBondContact O-CB 3.22Å; L749-V752 WeakPolarHBondContact O-CG2 3.35Å; L749-V752 PolarHBondContact O-N 3.18Å; L749-V752 VanDerWaalsContact O-N 3.1Å; L749-P753 WeakPolarHBondContact O-CD 3.37Å |
| 750 | W | 93.8 | Very high | 92.8 | Very high | 126 Ų | 126 | 45.5 Ų | 45.5 | 48% | 0.477 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.2 | 171.4 | -86.9 | 112 | 0 | 0 | 0 | 113.5 | A526 K746 M747 I748 V752 P753 L754 | A526-W750 HydrophobicContact CB-CB 3.79Å; K746-W750 PolarHBondContact O-N 3.42Å; M747-W750 PolarHBondContact O-N 2.92Å; I748-W750 VanDerWaalsContact C-N 3.26Å; I748-W750 PolarHBondContact O-N 3.37Å; W750-V752 VanDerWaalsContact C-N 3.26Å; W750-V752 PolarHBondContact O-N 3.49Å; W750-P753 HydrophobicContact CE3-CG 4.05Å; W750-P753 HydrophobicContact CZ3-CG 4.44Å; W750-P753 VanDerWaalsContact O-CD 3.32Å; W750-P753 WeakPolarHBondContact O-CD 3.4Å; W750-P753 WeakPolarHBondContact O-CG 3.47Å; W750-L754 HydrophobicContact CB-CD1 4.41Å; W750-L754 WeakPolarHBondContact O-CB 3.24Å; W750-L754 WeakPolarHBondContact O-CD1 3.19Å; W750-L754 VanDerWaalsContact O-CG 3.26Å; W750-L754 WeakPolarHBondContact O-CG 3.48Å; W750-L754 PolarHBondContact O-N 3.35Å |
| 751 | N | 91.5 | Very high | 93 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.3 | -22.1 | 174.9 | -71.2 | -118.9 | 0 | 0 | 0 | 111.6 | I530 F564 M747 I748 L749 D755 | I530-N751 HydrophobicContact CG1-CB 4.46Å; I530-N751 WeakPolarHBondContact CG1-OD1 3.46Å; F564-N751 HydrophobicContact CD1-CB 4.31Å; F564-N751 HydrophobicContact CD2-CB 3.95Å; F564-N751 HydrophobicContact CE1-CB 4.09Å; F564-N751 VanDerWaalsContact CE2-C 3.47Å; F564-N751 HydrophobicContact CE2-CB 3.65Å; F564-N751 WeakPolarHBondContact CE2-O 3.36Å; F564-N751 HydrophobicContact CG-CB 4.27Å; F564-N751 HydrophobicContact CZ-CB 3.75Å; M747-N751 PolarHBondContact O-ND2 3.45Å; I748-N751 VanDerWaalsContact O-CB 3.27Å; I748-N751 WeakPolarHBondContact O-CB 3.36Å; I748-N751 PolarHBondContact O-N 2.92Å; L749-N751 PolarHBondContact O-N 3.49Å; N751-D755 VanDerWaalsContact O-CB 3.26Å; N751-D755 WeakPolarHBondContact O-CB 3.4Å; N751-D755 PolarHBondContact O-N 3.49Å |
| 752 | V | 94.1 | Very high | 93.2 | Very high | 40 Ų | 40 | 42 Ų | 42 | 24% | 0.242 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57 | -62.4 | 175.5 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | F564 L749 W750 L754 A756 | F564-V752 HydrophobicContact CB-CG2 3.56Å; F564-V752 HydrophobicContact CD2-CB 4.19Å; F564-V752 HydrophobicContact CD2-CG2 3.61Å; F564-V752 HydrophobicContact CG-CG2 4.07Å; L749-V752 WeakPolarHBondContact O-CB 3.22Å; L749-V752 WeakPolarHBondContact O-CG2 3.35Å; L749-V752 PolarHBondContact O-N 3.18Å; L749-V752 VanDerWaalsContact O-N 3.1Å; W750-V752 VanDerWaalsContact C-N 3.26Å; W750-V752 PolarHBondContact O-N 3.49Å; V752-L754 VanDerWaalsContact C-N 3.34Å; V752-L754 PolarHBondContact O-N 2.92Å; V752-A756 WeakPolarHBondContact O-CB 3.46Å; V752-A756 PolarHBondContact O-N 2.82Å |
| 753 | P | 94.1 | Very high | 93.2 | Very high | 68 Ų | 68 | 34.4 Ų | 34.4 | 44% | 0.442 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -69.3 | -33.2 | -178.7 | 27.5 | -36.3 | 0 | 0 | 0 | 112.7 | L749 W750 L757 | L749-P753 WeakPolarHBondContact O-CD 3.37Å; W750-P753 HydrophobicContact CE3-CG 4.05Å; W750-P753 HydrophobicContact CZ3-CG 4.44Å; W750-P753 VanDerWaalsContact O-CD 3.32Å; W750-P753 WeakPolarHBondContact O-CD 3.4Å; W750-P753 WeakPolarHBondContact O-CG 3.47Å; P753-L757 VanDerWaalsContact O-CB 3.29Å; P753-L757 WeakPolarHBondContact O-CB 3.46Å; P753-L757 PolarHBondContact O-N 2.92Å |
| 754 | L | 91.8 | Very high | 93.3 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 17% | 0.173 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -77.6 | -42.2 | -173.7 | -67.7 | 170.9 | 0 | 0 | 0 | 112.5 | L527 I530 W750 V752 A756 L757 C758 | L527-L754 HydrophobicContact CD2-CD1 4.13Å; L527-L754 HydrophobicContact CD2-CD2 4.33Å; I530-L754 HydrophobicContact CD1-CB 3.02Å; I530-L754 HydrophobicContact CD1-CD1 3.51Å; I530-L754 HydrophobicContact CD1-CG 3.87Å; I530-L754 HydrophobicContact CG1-CB 4.43Å; W750-L754 HydrophobicContact CB-CD1 4.41Å; W750-L754 WeakPolarHBondContact O-CB 3.24Å; W750-L754 WeakPolarHBondContact O-CD1 3.19Å; W750-L754 VanDerWaalsContact O-CG 3.26Å; W750-L754 WeakPolarHBondContact O-CG 3.48Å; W750-L754 PolarHBondContact O-N 3.35Å; V752-L754 VanDerWaalsContact C-N 3.34Å; V752-L754 PolarHBondContact O-N 2.92Å; L754-A756 VanDerWaalsContact C-N 3.34Å; L754-L757 PolarHBondContact O-N 2.68Å; L754-C758 PolarHBondContact O-N 2.84Å |
| 755 | D | 91.7 | Very high | 93.6 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.032 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.4 | -35.1 | 173.1 | -75.9 | -33.7 | 0 | 0 | 0 | 111.2 | I530 Y560 F564 N751 L757 C758 L759 | I530-D755 WeakPolarHBondContact CG1-OD1 3.42Å; I530-D755 VanDerWaalsContact CG2-OD1 3.3Å; I530-D755 WeakPolarHBondContact CG2-OD1 3.46Å; Y560-D755 HydrophobicContact CD2-CB 3.92Å; Y560-D755 HydrophobicContact CE2-CB 3.79Å; Y560-D755 HydrophobicContact CG-CB 4.36Å; F564-D755 HydrophobicContact CE2-CB 4.21Å; F564-D755 WeakPolarHBondContact CE2-OD2 3.31Å; F564-D755 WeakPolarHBondContact CZ-OD2 3.43Å; N751-D755 VanDerWaalsContact O-CB 3.26Å; N751-D755 WeakPolarHBondContact O-CB 3.4Å; N751-D755 PolarHBondContact O-N 3.49Å; D755-L757 VanDerWaalsContact C-N 3.34Å; D755-C758 PolarHBondContact O-N 2.89Å; D755-L759 WeakPolarHBondContact O-CB 3.47Å; D755-L759 PolarHBondContact O-N 2.85Å |
| 756 | A | 92.8 | Very high | 93.6 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 17% | 0.174 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L557 V752 L754 L759 L760 | L557-A756 HydrophobicContact CD2-CB 3.48Å; L557-A756 VanDerWaalsContact CD2-CB 3.48Å; V752-A756 WeakPolarHBondContact O-CB 3.46Å; V752-A756 PolarHBondContact O-N 2.82Å; L754-A756 VanDerWaalsContact C-N 3.34Å; A756-L759 PolarHBondContact O-N 2.98Å; A756-L760 WeakPolarHBondContact O-CB 3.29Å; A756-L760 VanDerWaalsContact O-CG 3.25Å; A756-L760 WeakPolarHBondContact O-CG 3.4Å; A756-L760 PolarHBondContact O-N 3.35Å |
| 757 | L | 93.2 | Very high | 93.6 | Very high | 64 Ų | 64 | 28.1 Ų | 28.1 | 34% | 0.335 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.9 | -51 | 175.9 | 177.7 | 64.4 | 0 | 0 | 0 | 111.2 | P753 L754 D755 L759 L760 L761 | P753-L757 VanDerWaalsContact O-CB 3.29Å; P753-L757 WeakPolarHBondContact O-CB 3.46Å; P753-L757 PolarHBondContact O-N 2.92Å; L754-L757 PolarHBondContact O-N 2.68Å; D755-L757 VanDerWaalsContact C-N 3.34Å; L757-L759 PolarHBondContact O-N 3.5Å; L757-L760 PolarHBondContact O-N 3.33Å; L757-L761 HydrophobicContact CD1-CD1 4.18Å; L757-L761 HydrophobicContact CD1-CG 4.24Å; L757-L761 HydrophobicContact CG-CD1 4.1Å; L757-L761 VanDerWaalsContact O-CG 3.28Å; L757-L761 WeakPolarHBondContact O-CG 3.07Å; L757-L761 PolarHBondContact O-N 3.17Å |
| 758 | C | 92.4 | Very high | 93.8 | Very high | 8 Ų | 8 | 28.2 Ų | 28.2 | 5% | 0.054 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.5 | -49.7 | 178.1 | -78.6 | 0 | 0 | 0 | 0 | 111.5 | T534 L754 D755 L760 L761 L762 | T534-C758 HydrophobicContact CG2-CB 4.44Å; L754-C758 PolarHBondContact O-N 2.84Å; D755-C758 PolarHBondContact O-N 2.89Å; C758-L760 PolarHBondContact O-N 3.04Å; C758-L761 PolarHBondContact O-N 3.29Å; C758-L762 VanDerWaalsContact O-CG 3.28Å; C758-L762 WeakPolarHBondContact O-CG 3.41Å; C758-L762 PolarHBondContact O-N 3.29Å; C758-L762 VanDerWaalsContact O-N 3.12Å |
| 759 | L | 92.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.6 | -49.5 | 178.9 | -180 | 62.2 | 0 | 0 | 0 | 111.3 | Y542 L557 Y560 D755 A756 L757 L761 L762 M763 | Y542-L759 HydrophobicContact CD1-CD1 3.72Å; Y542-L759 HydrophobicContact CD2-CD1 4.36Å; Y542-L759 HydrophobicContact CE1-CD1 3.57Å; Y542-L759 HydrophobicContact CE2-CD1 4.24Å; Y542-L759 HydrophobicContact CG-CD1 4.13Å; L557-L759 HydrophobicContact CD2-CD2 4.22Å; L557-L759 HydrophobicContact CG-CD2 4.18Å; Y560-L759 HydrophobicContact CE2-CB 4.4Å; Y560-L759 HydrophobicContact CE2-CD2 4Å; D755-L759 WeakPolarHBondContact O-CB 3.47Å; D755-L759 PolarHBondContact O-N 2.85Å; A756-L759 PolarHBondContact O-N 2.98Å; L757-L759 PolarHBondContact O-N 3.5Å; L759-L761 VanDerWaalsContact C-N 3.34Å; L759-L761 PolarHBondContact O-N 3.36Å; L759-L762 PolarHBondContact O-N 2.81Å; L759-L762 VanDerWaalsContact O-N 3.14Å; L759-M763 HydrophobicContact CD1-CG 4.19Å; L759-M763 HydrophobicContact CD1-SD 4.27Å; L759-M763 HydrophobicContact CG-CG 4.31Å; L759-M763 VanDerWaalsContact O-CG 3.25Å; L759-M763 WeakPolarHBondContact O-CG 3.47Å; L759-M763 PolarHBondContact O-N 3Å |
| 760 | L | 94 | Very high | 93.8 | Very high | 82 Ų | 82 | 25.8 Ų | 25.8 | 43% | 0.429 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -57.3 | -45.3 | 179.6 | -76 | 169.1 | 0 | 0 | 0 | 112.5 | L557 A756 L757 C758 L762 M763 I764 | L557-L760 HydrophobicContact CD1-CD2 3.87Å; L557-L760 HydrophobicContact CD1-CG 4.26Å; L557-L760 HydrophobicContact CD2-CG 4.22Å; A756-L760 WeakPolarHBondContact O-CB 3.29Å; A756-L760 VanDerWaalsContact O-CG 3.25Å; A756-L760 WeakPolarHBondContact O-CG 3.4Å; A756-L760 PolarHBondContact O-N 3.35Å; L757-L760 PolarHBondContact O-N 3.33Å; C758-L760 PolarHBondContact O-N 3.04Å; L760-L762 VanDerWaalsContact C-N 3.32Å; L760-L762 PolarHBondContact O-N 3.21Å; L760-M763 PolarHBondContact O-N 3.49Å; L760-I764 VanDerWaalsContact O-CG1 3.3Å; L760-I764 WeakPolarHBondContact O-CG1 3.28Å; L760-I764 PolarHBondContact O-N 3.22Å |
| 761 | L | 94.9 | Very high | 93.7 | Very high | 12 Ų | 12 | 21.2 Ų | 21.2 | 6% | 0.063 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 177.1 | -66.3 | 172.3 | 0 | 0 | 0 | 111.2 | I665 A668 F669 I672 L757 C758 L759 M763 I764 I765 | I665-L761 HydrophobicContact CG2-CD1 4.25Å; A668-L761 HydrophobicContact CB-CB 4.17Å; A668-L761 HydrophobicContact CB-CD1 4.33Å; F669-L761 HydrophobicContact CD1-CD2 4.06Å; F669-L761 HydrophobicContact CD2-CD1 4.39Å; F669-L761 HydrophobicContact CE1-CD2 3.68Å; F669-L761 HydrophobicContact CE2-CD1 4.04Å; F669-L761 HydrophobicContact CE2-CD2 4.37Å; F669-L761 HydrophobicContact CZ-CD1 4.23Å; F669-L761 HydrophobicContact CZ-CD2 3.85Å; I672-L761 HydrophobicContact CD1-CB 3.98Å; I672-L761 HydrophobicContact CD1-CD2 3.54Å; I672-L761 HydrophobicContact CD1-CG 4.36Å; L757-L761 HydrophobicContact CD1-CD1 4.18Å; L757-L761 HydrophobicContact CD1-CG 4.24Å; L757-L761 HydrophobicContact CG-CD1 4.1Å; L757-L761 VanDerWaalsContact O-CG 3.28Å; L757-L761 WeakPolarHBondContact O-CG 3.07Å; L757-L761 PolarHBondContact O-N 3.17Å; C758-L761 PolarHBondContact O-N 3.29Å; L759-L761 VanDerWaalsContact C-N 3.34Å; L759-L761 PolarHBondContact O-N 3.36Å; L761-M763 PolarHBondContact O-N 3.4Å; L761-I764 PolarHBondContact O-N 2.64Å; L761-I765 WeakPolarHBondContact O-CG1 3.4Å; L761-I765 PolarHBondContact O-N 2.77Å |
| 762 | L | 94.3 | Very high | 93.6 | Very high | 6 Ų | 6 | 21.7 Ų | 21.7 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.6 | -37 | 178.7 | -61.7 | -180 | 0 | 0 | 0 | 112.9 | L539 Y542 P543 C758 L759 L760 I764 I765 G766 | L539-L762 HydrophobicContact CD1-CD2 3.29Å; L539-L762 HydrophobicContact CG-CD2 4.47Å; Y542-L762 HydrophobicContact CD2-CD1 3.62Å; Y542-L762 HydrophobicContact CE2-CD1 4.44Å; Y542-L762 HydrophobicContact CG-CD1 4.33Å; P543-L762 HydrophobicContact CG-CB 4.39Å; P543-L762 HydrophobicContact CG-CD2 4.48Å; C758-L762 VanDerWaalsContact O-CG 3.28Å; C758-L762 WeakPolarHBondContact O-CG 3.41Å; C758-L762 PolarHBondContact O-N 3.29Å; C758-L762 VanDerWaalsContact O-N 3.12Å; L759-L762 PolarHBondContact O-N 2.81Å; L759-L762 VanDerWaalsContact O-N 3.14Å; L760-L762 VanDerWaalsContact C-N 3.32Å; L760-L762 PolarHBondContact O-N 3.21Å; L762-I764 VanDerWaalsContact C-N 3.34Å; L762-I765 HydrophobicContact CD2-CD1 4.35Å; L762-I765 PolarHBondContact O-N 2.9Å; L762-G766 PolarHBondContact O-N 2.96Å |
| 763 | M | 93.1 | Very high | 93.4 | Very high | 16 Ų | 16 | 20.2 Ų | 20.2 | 8% | 0.079 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.3 | -41.5 | 175.1 | -62.2 | -60.2 | -76.6 | 0 | 0 | 111 | V546 G551 L759 L760 L761 G766 M767 | V546-M763 HydrophobicContact CG2-CB 4.39Å; V546-M763 HydrophobicContact CG2-CE 3.24Å; V546-M763 HydrophobicContact CG2-CG 4.5Å; V546-M763 HydrophobicContact CG2-SD 3.36Å; V546-M763 WeakPolarHBondContact CG2-SD 3.14Å; G551-M763 VanDerWaalsContact CA-CE 3.5Å; G551-M763 WeakPolarHBondContact O-CE 3.22Å; L759-M763 HydrophobicContact CD1-CG 4.19Å; L759-M763 HydrophobicContact CD1-SD 4.27Å; L759-M763 HydrophobicContact CG-CG 4.31Å; L759-M763 VanDerWaalsContact O-CG 3.25Å; L759-M763 WeakPolarHBondContact O-CG 3.47Å; L759-M763 PolarHBondContact O-N 3Å; L760-M763 PolarHBondContact O-N 3.49Å; L761-M763 PolarHBondContact O-N 3.4Å; M763-G766 WeakPolarHBondContact O-CA 3.47Å; M763-G766 PolarHBondContact O-N 3.49Å; M763-G766 VanDerWaalsContact O-N 3.14Å; M763-M767 WeakPolarHBondContact O-CG 3.04Å; M763-M767 PolarHBondContact O-N 3.41Å |
| 764 | I | 95.3 | Very high | 92.9 | Very high | 36 Ų | 36 | 17.1 Ų | 17.1 | 19% | 0.185 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 176 | -64.7 | 163.3 | 0 | 0 | 0 | 111.2 | I672 I682 L760 L761 L762 G766 M767 I768 | I672-I764 HydrophobicContact CD1-CB 4.14Å; I672-I764 HydrophobicContact CD1-CG2 4.12Å; I672-I764 HydrophobicContact CG1-CB 4.41Å; I672-I764 HydrophobicContact CG1-CG2 3.97Å; I672-I764 HydrophobicContact CG2-CG2 3.83Å; I682-I764 HydrophobicContact CD1-CG2 4.49Å; L760-I764 VanDerWaalsContact O-CG1 3.3Å; L760-I764 WeakPolarHBondContact O-CG1 3.28Å; L760-I764 PolarHBondContact O-N 3.22Å; L761-I764 PolarHBondContact O-N 2.64Å; L762-I764 VanDerWaalsContact C-N 3.34Å; I764-G766 VanDerWaalsContact C-N 3.27Å; I764-G766 PolarHBondContact O-N 2.95Å; I764-M767 HydrophobicContact CB-CE 4.03Å; I764-M767 HydrophobicContact CG1-CE 3.61Å; I764-M767 HydrophobicContact CG2-CE 4.3Å; I764-M767 WeakPolarHBondContact O-CB 3.4Å; I764-M767 PolarHBondContact O-N 3.49Å; I764-M767 VanDerWaalsContact O-N 3.1Å; I764-I768 HydrophobicContact CG2-CD1 4.11Å; I764-I768 WeakPolarHBondContact O-CG1 3.46Å; I764-I768 PolarHBondContact O-N 3Å |
| 765 | I | 95.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.8 | -44.5 | 173.9 | -66 | 169.8 | 0 | 0 | 0 | 110.2 | P543 A668 I671 I672 L761 L762 M767 I768 L769 L791 | P543-I765 HydrophobicContact CB-CB 4.41Å; P543-I765 HydrophobicContact CB-CG2 3.98Å; P543-I765 HydrophobicContact CG-CB 4.22Å; P543-I765 HydrophobicContact CG-CG2 4.02Å; A668-I765 HydrophobicContact CB-CD1 3.96Å; I671-I765 HydrophobicContact CB-CD1 4.49Å; I671-I765 HydrophobicContact CG2-CD1 4.38Å; I671-I765 HydrophobicContact CG2-CG1 4.17Å; I671-I765 HydrophobicContact CG2-CG2 4.23Å; I672-I765 HydrophobicContact CD1-CG1 4.11Å; I672-I765 HydrophobicContact CG1-CD1 4.38Å; I672-I765 HydrophobicContact CG1-CG1 3.62Å; L761-I765 WeakPolarHBondContact O-CG1 3.4Å; L761-I765 PolarHBondContact O-N 2.77Å; L762-I765 HydrophobicContact CD2-CD1 4.35Å; L762-I765 PolarHBondContact O-N 2.9Å; I765-M767 VanDerWaalsContact C-N 3.3Å; I765-M767 PolarHBondContact O-N 2.98Å; I765-I768 PolarHBondContact O-N 2.89Å; I765-L769 HydrophobicContact CG2-CD1 4.37Å; I765-L769 HydrophobicContact CG2-CG 4.49Å; I765-L769 VanDerWaalsContact O-CG 3.3Å; I765-L769 WeakPolarHBondContact O-CG 3.32Å; I765-L769 PolarHBondContact O-N 3.16Å; I765-L791 HydrophobicContact CG2-CD1 3.54Å; I765-L791 HydrophobicContact CG2-CD2 3.99Å; I765-L791 HydrophobicContact CG2-CG 4.39Å |
| 766 | G | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.8 | -38.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | P543 L762 M763 I764 L769 Y770 | P543-G766 WeakPolarHBondContact O-CA 3.32Å; L762-G766 PolarHBondContact O-N 2.96Å; M763-G766 WeakPolarHBondContact O-CA 3.47Å; M763-G766 PolarHBondContact O-N 3.49Å; M763-G766 VanDerWaalsContact O-N 3.14Å; I764-G766 VanDerWaalsContact C-N 3.27Å; I764-G766 PolarHBondContact O-N 2.95Å; G766-L769 PolarHBondContact O-N 3.47Å; G766-Y770 PolarHBondContact O-N 3.17Å; G766-Y770 VanDerWaalsContact O-N 3.12Å |
| 767 | M | 95.2 | Very high | 91.8 | Very high | 13 Ų | 13 | 16.3 Ų | 16.3 | 6% | 0.064 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.2 | -44.3 | 174.7 | -64.3 | -164.8 | -76.7 | 0 | 0 | 112.5 | V546 V685 W686 N689 M695 M763 I764 I765 L769 Y770 H771 | V546-M767 HydrophobicContact CG1-CG 4.22Å; V685-M767 HydrophobicContact CG1-CB 3.64Å; W686-M767 HydrophobicContact CE3-CE 4.23Å; W686-M767 HydrophobicContact CE3-SD 3.74Å; W686-M767 HydrophobicContact CZ3-CE 4.46Å; W686-M767 HydrophobicContact CZ3-SD 4.01Å; N689-M767 PolarHBondContact ND2-O 3.06Å; N689-M767 WeakPolarHBondContact OD1-CA 3.21Å; M695-M767 HydrophobicContact CE-CG 3.24Å; M695-M767 HydrophobicContact CE-SD 3.23Å; M695-M767 WeakPolarHBondContact CE-SD 3.38Å; M695-M767 HydrophobicContact CG-SD 4.48Å; M695-M767 HydrophobicContact SD-SD 3.79Å; M763-M767 WeakPolarHBondContact O-CG 3.04Å; M763-M767 PolarHBondContact O-N 3.41Å; I764-M767 HydrophobicContact CB-CE 4.03Å; I764-M767 HydrophobicContact CG1-CE 3.61Å; I764-M767 HydrophobicContact CG2-CE 4.3Å; I764-M767 WeakPolarHBondContact O-CB 3.4Å; I764-M767 PolarHBondContact O-N 3.49Å; I764-M767 VanDerWaalsContact O-N 3.1Å; I765-M767 VanDerWaalsContact C-N 3.3Å; I765-M767 PolarHBondContact O-N 2.98Å; M767-L769 VanDerWaalsContact C-N 3.3Å; M767-L769 PolarHBondContact O-N 3.33Å; M767-Y770 PolarHBondContact O-N 3.45Å; M767-H771 PolarHBondContact O-N 3.34Å |
| 768 | I | 95.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.01 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.1 | -42.3 | 177.2 | -67.6 | 168.4 | 0 | 0 | 0 | 110 | I672 V685 I764 I765 Y770 H771 A772 Y794 | I672-I768 HydrophobicContact CB-CD1 4.38Å; I672-I768 HydrophobicContact CG1-CD1 4.35Å; I672-I768 HydrophobicContact CG2-CD1 4.35Å; V685-I768 HydrophobicContact CG1-CG1 4.14Å; V685-I768 HydrophobicContact CG2-CG1 4.41Å; I764-I768 HydrophobicContact CG2-CD1 4.11Å; I764-I768 WeakPolarHBondContact O-CG1 3.46Å; I764-I768 PolarHBondContact O-N 3Å; I765-I768 PolarHBondContact O-N 2.89Å; I768-Y770 VanDerWaalsContact C-N 3.31Å; I768-Y770 PolarHBondContact O-N 3Å; I768-H771 PolarHBondContact O-N 3.19Å; I768-A772 WeakPolarHBondContact O-CB 3.24Å; I768-A772 PolarHBondContact O-N 3.39Å; I768-Y794 HydrophobicContact CG2-CE1 3.94Å |
| 769 | L | 94.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60 | -41 | 176 | -65.6 | 173 | 0 | 0 | 0 | 112 | P543 Y547 I765 G766 M767 A772 Y773 I790 L791 Y794 | P543-L769 HydrophobicContact CB-CD1 3.69Å; Y547-L769 HydrophobicContact CD2-CB 3.96Å; Y547-L769 WeakPolarHBondContact CE2-O 3.17Å; I765-L769 HydrophobicContact CG2-CD1 4.37Å; I765-L769 HydrophobicContact CG2-CG 4.49Å; I765-L769 VanDerWaalsContact O-CG 3.3Å; I765-L769 WeakPolarHBondContact O-CG 3.32Å; I765-L769 PolarHBondContact O-N 3.16Å; G766-L769 PolarHBondContact O-N 3.47Å; M767-L769 VanDerWaalsContact C-N 3.3Å; M767-L769 PolarHBondContact O-N 3.33Å; L769-A772 PolarHBondContact O-N 2.92Å; L769-Y773 PolarHBondContact O-N 3.39Å; L769-I790 HydrophobicContact CD1-CG2 4.08Å; L769-L791 HydrophobicContact CD1-CB 4.01Å; L769-L791 HydrophobicContact CD1-CD1 4.27Å; L769-L791 HydrophobicContact CD2-CD1 4.09Å; L769-Y794 HydrophobicContact CD2-CD1 3.67Å; L769-Y794 HydrophobicContact CD2-CD2 4.17Å; L769-Y794 HydrophobicContact CD2-CG 3.44Å; L769-Y794 VanDerWaalsContact CD2-CG 3.44Å |
| 770 | Y | 93.1 | Very high | 90.5 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69 | -41.3 | 179.5 | -179.4 | -111.2 | 0 | 0 | 0 | 112 | Y547 Y688 N689 G692 R694 G766 M767 I768 A772 Y773 G774 L946 | Y547-Y770 VanDerWaalsContact CD2-CA 3.42Å; Y547-Y770 HydrophobicContact CD2-CD2 4.22Å; Y547-Y770 HydrophobicContact CE2-CD2 4.21Å; Y688-Y770 AromaticContact CD1-CD1 3.89Å; Y688-Y770 HydrophobicContact CD1-CD1 3.89Å; Y688-Y770 AromaticContact CD1-CE1 3.72Å; Y688-Y770 HydrophobicContact CD1-CE1 3.72Å; Y688-Y770 HydrophobicContact CE1-CD1 4.14Å; Y688-Y770 AromaticContact CE1-CE1 3.76Å; Y688-Y770 HydrophobicContact CE1-CE1 3.76Å; N689-Y770 WeakPolarHBondContact OD1-CD1 3.45Å; G692-Y770 VanDerWaalsContact CA-OH 3.3Å; G692-Y770 WeakPolarHBondContact CA-OH 3.34Å; R694-Y770 HydrophobicContact CG-CD1 4.13Å; R694-Y770 HydrophobicContact CG-CE1 4.42Å; R694-Y770 HydrophobicContact CG-CG 4.18Å; R694-Y770 PolarHBondContact NH1-OH 3.04Å; R694-Y770 VanDerWaalsContact NH2-CE2 3.29Å; G766-Y770 PolarHBondContact O-N 3.17Å; G766-Y770 VanDerWaalsContact O-N 3.12Å; M767-Y770 PolarHBondContact O-N 3.45Å; I768-Y770 VanDerWaalsContact C-N 3.31Å; I768-Y770 PolarHBondContact O-N 3Å; Y770-A772 VanDerWaalsContact C-N 3.28Å; Y770-A772 PolarHBondContact O-N 3.46Å; Y770-Y773 PolarHBondContact O-N 2.78Å; Y770-G774 WeakPolarHBondContact O-CA 3.46Å; Y770-G774 PolarHBondContact O-N 3.19Å; Y770-L946 HydrophobicContact CD2-CD2 4.17Å; Y770-L946 HydrophobicContact CE2-CD2 3.96Å |
| 771 | H | 91.7 | Very high | 89.8 | Confident | 29 Ų | 29 | 23.1 Ų | 23.1 | 13% | 0.134 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.9 | -41.5 | 170.9 | 177.2 | -91 | 0 | 0 | 0 | 111.6 | A679 V685 Y688 M767 I768 R957 | A679-H771 WeakPolarHBondContact CB-ND1 3.16Å; V685-H771 HydrophobicContact CG2-CB 4.43Å; Y688-H771 HydrophobicContact CD1-CB 4.38Å; Y688-H771 AromaticContact CG-CD2 3.84Å; M767-H771 PolarHBondContact O-N 3.34Å; I768-H771 PolarHBondContact O-N 3.19Å; H771-R957 PolarHBondContact O-NH1 3.12Å |
| 772 | A | 89.1 | Confident | 89.1 | Confident | 11 Ų | 11 | 25.5 Ų | 25.5 | 9% | 0.091 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71 | -33.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I768 L769 Y770 Y794 R957 | I768-A772 WeakPolarHBondContact O-CB 3.24Å; I768-A772 PolarHBondContact O-N 3.39Å; L769-A772 PolarHBondContact O-N 2.92Å; Y770-A772 VanDerWaalsContact C-N 3.28Å; Y770-A772 PolarHBondContact O-N 3.46Å; A772-Y794 HydrophobicContact CB-CD2 3.94Å; A772-Y794 HydrophobicContact CB-CE2 3.66Å; A772-R957 VanDerWaalsContact C-NH1 3.28Å; A772-R957 PolarHBondContact O-NH1 3.02Å; A772-R957 PolarHBondContact O-NH2 2.88Å |
| 773 | Y | 89.8 | Confident | 88.3 | Confident | 9 Ų | 9 | 27.7 Ų | 27.7 | 4% | 0.035 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -131.5 | -1.5 | -168.9 | -66.3 | -56.5 | 0 | 0 | 0 | 116.8 | Y547 L769 Y770 E775 C776 D777 P778 I790 F793 Y794 N797 | Y547-Y773 WeakPolarHBondContact OH-CB 3.45Å; Y547-Y773 PolarHBondContact OH-O 2.97Å; L769-Y773 PolarHBondContact O-N 3.39Å; Y770-Y773 PolarHBondContact O-N 2.78Å; Y773-E775 PolarHBondContact O-N 2.89Å; Y773-E775 VanDerWaalsContact O-N 3.08Å; Y773-C776 CarbonylContact O-C 3.28Å; Y773-C776 PolarHBondContact O-N 3.24Å; Y773-D777 PolarHBondContact O-N 3.03Å; Y773-P778 HydrophobicContact CD1-CG 3.62Å; Y773-P778 HydrophobicContact CD2-CG 4.24Å; Y773-P778 HydrophobicContact CE1-CG 3.89Å; Y773-P778 HydrophobicContact CE2-CG 4.43Å; Y773-P778 HydrophobicContact CG-CG 3.83Å; Y773-I790 HydrophobicContact CD2-CD1 3.66Å; Y773-I790 HydrophobicContact CD2-CG1 4.36Å; Y773-I790 HydrophobicContact CE2-CD1 4.18Å; Y773-I790 HydrophobicContact CG-CD1 4.24Å; Y773-F793 HydrophobicContact CE1-CD1 4.34Å; Y773-F793 AromaticContact CE1-CE1 3.86Å; Y773-F793 HydrophobicContact CE1-CE1 3.86Å; Y773-F793 HydrophobicContact CE2-CD1 4.08Å; Y773-F793 HydrophobicContact CE2-CE1 4.42Å; Y773-F793 AromaticContact CZ-CD1 3.74Å; Y773-F793 AromaticContact CZ-CE1 3.67Å; Y773-F793 WeakPolarHBondContact OH-CD1 3.26Å; Y773-F793 WeakPolarHBondContact OH-CE1 3.25Å; Y773-Y794 AromaticContact CE2-CD2 3.66Å; Y773-Y794 HydrophobicContact CE2-CD2 3.66Å; Y773-Y794 HydrophobicContact CE2-CG 4.2Å; Y773-N797 WeakPolarHBondContact OH-CB 3.3Å; Y773-N797 PolarHBondContact OH-ND2 3.49Å |
| 774 | G | 84.6 | Confident | 87.7 | Confident | 3 Ų | 3 | 27.4 Ų | 27.4 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -33.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y770 S947 | Y770-G774 WeakPolarHBondContact O-CA 3.46Å; Y770-G774 PolarHBondContact O-N 3.19Å; G774-S947 PolarHBondContact O-N 3.13Å |
| 775 | E | 82.5 | Confident | 86.9 | Confident | 17 Ų | 17 | 31 Ų | 31 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -3.2 | 176 | -71.8 | -173.2 | 162.6 | 0 | 0 | 114.9 | Y688 Y773 S947 T948 S949 G950 | Y688-E775 WeakPolarHBondContact OH-CG 3.22Å; Y773-E775 PolarHBondContact O-N 2.89Å; Y773-E775 VanDerWaalsContact O-N 3.08Å; E775-S947 CarbonylContact C-O 3.58Å; E775-S947 CarbonylContact O-C 3.1Å; E775-S947 VanDerWaalsContact O-C 3.32Å; E775-T948 CarbonylContact O-C 3.06Å; E775-T948 VanDerWaalsContact O-C 3.28Å; E775-T948 WeakPolarHBondContact O-CA 3.48Å; E775-S949 PolarHBondContact O-N 3.3Å; E775-G950 WeakPolarHBondContact O-CA 3.33Å; E775-G950 PolarHBondContact O-N 3.16Å |
| 776 | C | 84.6 | Confident | 86 | Confident | 22 Ų | 22 | 33 Ų | 33 | 15% | 0.149 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -141.5 | 72.2 | 174.9 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | Y773 P778 S947 C951 | Y773-C776 CarbonylContact O-C 3.28Å; Y773-C776 PolarHBondContact O-N 3.24Å; C776-P778 VanDerWaalsContact O-CD 3.25Å; C776-P778 WeakPolarHBondContact O-CD 3.22Å; C776-S947 WeakPolarHBondContact CA-O 3.23Å; C776-S947 PolarHBondContact N-O 2.93Å; C776-C951 WeakPolarHBondContact CA-SG 3.36Å; C776-C951 HydrophobicContact CB-CB 3.97Å; C776-C951 WeakPolarHBondContact CB-SG 3.46Å; C776-C951 WeakPolarHBondContact SG-CA 3.25Å; C776-C951 WeakPolarHBondContact SG-CB 3.45Å; C776-C951 CovalentContact SG-SG 2.05Å; C776-C951 PolarHBondContact SG-SG 3.44Å |
| 777 | D | 86.4 | Confident | 85.4 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | trans | -69.7 | 118.4 | -174.5 | -178.1 | -99.6 | 0 | 0 | 0 | 111.7 | Y547 Y773 R779 M780 L781 L946 S947 | Y547-D777 VanDerWaalsContact CE1-OD2 3.23Å; Y547-D777 WeakPolarHBondContact CE1-OD2 3.18Å; Y547-D777 PolarHBondContact OH-OD2 2.9Å; Y773-D777 PolarHBondContact O-N 3.03Å; D777-R779 PolarHBondContact O-N 3.38Å; D777-R779 WeakPolarHBondContact OD1-CA 3.31Å; D777-R779 VanDerWaalsContact OD1-CB 3.25Å; D777-R779 WeakPolarHBondContact OD1-CB 3.26Å; D777-R779 PolarHBondContact OD1-N 3.16Å; D777-R779 VanDerWaalsContact OD1-N 3.07Å; D777-M780 HydrophobicContact CB-CB 4.19Å; D777-M780 HydrophobicContact CB-CG 4.09Å; D777-M780 HydrophobicContact CB-SD 4.2Å; D777-M780 PolarHBondContact O-N 3.2Å; D777-M780 WeakPolarHBondContact OD1-CG 3.4Å; D777-M780 PolarHBondContact OD1-N 3.45Å; D777-L781 PolarHBondContact O-N 3.19Å; D777-L946 HydrophobicContact CB-CB 4.28Å; D777-S947 PolarHBondContact N-O 3.48Å | ||
| 778 | P | 84.8 | Confident | 84.9 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.013 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -26.1 | -177.5 | -24.2 | 34.5 | 0 | 0 | 0 | 113.6 | Y773 C776 L781 G782 L783 T784 I790 F793 | Y773-P778 HydrophobicContact CD1-CG 3.62Å; Y773-P778 HydrophobicContact CD2-CG 4.24Å; Y773-P778 HydrophobicContact CE1-CG 3.89Å; Y773-P778 HydrophobicContact CE2-CG 4.43Å; Y773-P778 HydrophobicContact CG-CG 3.83Å; C776-P778 VanDerWaalsContact O-CD 3.25Å; C776-P778 WeakPolarHBondContact O-CD 3.22Å; P778-L781 PolarHBondContact O-N 3.37Å; P778-G782 PolarHBondContact O-N 3.12Å; P778-L783 HydrophobicContact CB-CB 4.18Å; P778-L783 HydrophobicContact CB-CD1 4.37Å; P778-L783 WeakPolarHBondContact O-CB 3.46Å; P778-L783 PolarHBondContact O-N 3.42Å; P778-T784 HydrophobicContact CB-CG2 4.22Å; P778-T784 PolarHBondContact O-N 2.94Å; P778-I790 HydrophobicContact CG-CD1 3.84Å; P778-F793 HydrophobicContact CB-CD1 3.84Å; P778-F793 HydrophobicContact CB-CE1 3.57Å; P778-F793 HydrophobicContact CB-CZ 4.03Å; P778-F793 HydrophobicContact CG-CD1 3.65Å; P778-F793 HydrophobicContact CG-CE1 3.4Å; P778-F793 VanDerWaalsContact CG-CE1 3.4Å; P778-F793 HydrophobicContact CG-CZ 4.29Å |
| 779 | R | 84.9 | Confident | 84.6 | Confident | 105 Ų | 105 | 34.8 Ų | 34.8 | 40% | 0.396 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -40.5 | -179.8 | -177.1 | -174.6 | 170.3 | -149.7 | -4.6 | 110.8 | D777 L781 G782 T784 | D777-R779 PolarHBondContact O-N 3.38Å; D777-R779 WeakPolarHBondContact OD1-CA 3.31Å; D777-R779 VanDerWaalsContact OD1-CB 3.25Å; D777-R779 WeakPolarHBondContact OD1-CB 3.26Å; D777-R779 PolarHBondContact OD1-N 3.16Å; D777-R779 VanDerWaalsContact OD1-N 3.07Å; R779-L781 PolarHBondContact O-N 3.44Å; R779-G782 PolarHBondContact O-N 2.89Å; R779-T784 WeakPolarHBondContact CA-OG1 3.5Å; R779-T784 WeakPolarHBondContact CB-OG1 3.3Å; R779-T784 PolarHBondContact N-OG1 3.27Å |
| 780 | M | 81.7 | Confident | 84.5 | Confident | 118 Ų | 118 | 35 Ų | 35 | 58% | 0.581 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -28.4 | 172.4 | -69.5 | -176.1 | 71.2 | 0 | 0 | 112.4 | D777 G782 L946 T948 | D777-M780 HydrophobicContact CB-CB 4.19Å; D777-M780 HydrophobicContact CB-CG 4.09Å; D777-M780 HydrophobicContact CB-SD 4.2Å; D777-M780 PolarHBondContact O-N 3.2Å; D777-M780 WeakPolarHBondContact OD1-CG 3.4Å; D777-M780 PolarHBondContact OD1-N 3.45Å; M780-G782 VanDerWaalsContact C-N 3.32Å; M780-L946 HydrophobicContact SD-CB 4.36Å; M780-T948 HydrophobicContact CB-CG2 3.66Å; M780-T948 HydrophobicContact CE-CG2 4.19Å; M780-T948 HydrophobicContact SD-CG2 4.31Å |
| 781 | L | 79.2 | Confident | 84.5 | Confident | 76 Ų | 76 | 34.8 Ų | 34.8 | 40% | 0.398 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -5.2 | 172.3 | -65 | 178.2 | 0 | 0 | 0 | 114.3 | D777 P778 R779 L783 T948 | D777-L781 PolarHBondContact O-N 3.19Å; P778-L781 PolarHBondContact O-N 3.37Å; R779-L781 PolarHBondContact O-N 3.44Å; L781-L783 VanDerWaalsContact C-N 3.27Å; L781-L783 HydrophobicContact CB-CD1 4.06Å; L781-L783 HydrophobicContact CB-CG 3.98Å; L781-L783 HydrophobicContact CD1-CD1 3.95Å; L781-L783 PolarHBondContact O-N 3.22Å; L781-T948 HydrophobicContact CD2-CG2 4.22Å |
| 782 | G | 78.8 | Confident | 84.5 | Confident | 61 Ų | 61 | 33.5 Ų | 33.5 | 63% | 0.629 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 11.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | P778 R779 M780 | P778-G782 PolarHBondContact O-N 3.12Å; R779-G782 PolarHBondContact O-N 2.89Å; M780-G782 VanDerWaalsContact C-N 3.32Å |
| 783 | L | 77.5 | Confident | 84.5 | Confident | 52 Ų | 52 | 33.5 Ų | 33.5 | 27% | 0.272 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -76.6 | -25.8 | 177.8 | -58.4 | 170.8 | 0 | 0 | 0 | 112.2 | I473 P778 L781 F793 | I473-L783 HydrophobicContact CD1-CD1 3.48Å; I473-L783 VanDerWaalsContact CD1-CD1 3.48Å; P778-L783 HydrophobicContact CB-CB 4.18Å; P778-L783 HydrophobicContact CB-CD1 4.37Å; P778-L783 WeakPolarHBondContact O-CB 3.46Å; P778-L783 PolarHBondContact O-N 3.42Å; L781-L783 VanDerWaalsContact C-N 3.27Å; L781-L783 HydrophobicContact CB-CD1 4.06Å; L781-L783 HydrophobicContact CB-CG 3.98Å; L781-L783 HydrophobicContact CD1-CD1 3.95Å; L781-L783 PolarHBondContact O-N 3.22Å; L783-F793 HydrophobicContact CB-CE2 4.05Å; L783-F793 HydrophobicContact CB-CZ 4.23Å; L783-F793 HydrophobicContact CD1-CE2 4.5Å; L783-F793 HydrophobicContact CD1-CZ 3.97Å |
| 784 | T | 81.3 | Confident | 84.6 | Confident | 11 Ų | 11 | 33.2 Ų | 33.2 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | trans | -126.8 | 145.9 | 172.4 | 60.7 | 0 | 0 | 0 | 0 | 110.4 | P778 R779 Q789 F793 | P778-T784 HydrophobicContact CB-CG2 4.22Å; P778-T784 PolarHBondContact O-N 2.94Å; R779-T784 WeakPolarHBondContact CA-OG1 3.5Å; R779-T784 WeakPolarHBondContact CB-OG1 3.3Å; R779-T784 PolarHBondContact N-OG1 3.27Å; T784-Q789 HydrophobicContact CG2-CB 4.16Å; T784-F793 HydrophobicContact CG2-CB 3.7Å; T784-F793 HydrophobicContact CG2-CD1 4.43Å; T784-F793 HydrophobicContact CG2-CD2 3.78Å; T784-F793 HydrophobicContact CG2-CG 3.71Å | ||
| 785 | T | 78 | Confident | 84.9 | Confident | 110 Ų | 110 | 33.1 Ų | 33.1 | 68% | 0.675 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -97.9 | -37.6 | -175.8 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | Q789 | T785-Q789 PolarHBondContact OG1-OE1 3.45Š|
| 786 | K | 77.9 | Confident | 85.3 | Confident | 44 Ų | 44 | 32.5 Ų | 32.5 | 19% | 0.191 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -114.1 | 147.4 | -179.6 | -62.8 | -165.2 | 175.5 | -164.3 | 0 | 111.2 | Y616 D788 Q789 G877 | Y616-K786 WeakPolarHBondContact OH-CE 3.42Å; Y616-K786 PolarHBondContact OH-NZ 2.89Å; K786-D788 PolarHBondContact O-N 3.32Å; K786-Q789 HydrophobicContact CB-CG 4.24Å; K786-Q789 VanDerWaalsContact N-OE1 3.11Å; K786-Q789 WeakPolarHBondContact O-CB 3.19Å; K786-Q789 PolarHBondContact O-N 3.28Å; K786-G877 PolarHBondContact NZ-O 2.84Å |
| 787 | V | 83.4 | Confident | 85.4 | Confident | 24 Ų | 24 | 33.3 Ų | 33.3 | 15% | 0.145 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -58.2 | -30.6 | 177.2 | -66.8 | 0 | 0 | 0 | 0 | 112.9 | S544 Q789 I790 N882 | S544-V787 VanDerWaalsContact OG-C 3.28Å; S544-V787 PolarHBondContact OG-O 3.32Å; V787-Q789 PolarHBondContact O-N 2.94Å; V787-I790 VanDerWaalsContact O-CG2 3.3Å; V787-I790 WeakPolarHBondContact O-CG2 3.13Å; V787-N882 HydrophobicContact CG2-CB 3.86Å |
| 788 | D | 84.6 | Confident | 85.3 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -73.9 | -10.9 | 179.4 | -50.5 | -96.2 | 0 | 0 | 0 | 113.5 | L620 K786 I790 N882 I883 | L620-D788 HydrophobicContact CD2-CB 3.94Å; K786-D788 PolarHBondContact O-N 3.32Å; D788-I790 VanDerWaalsContact C-N 3.33Å; D788-N882 PolarHBondContact OD1-OD1 3.1Å; D788-I883 HydrophobicContact CB-CD1 3.93Å; D788-I883 HydrophobicContact CB-CG1 4.35Å; D788-I883 WeakPolarHBondContact OD1-CG1 3.3Å; D788-I883 PolarHBondContact OD1-N 3.11Å; D788-I883 VanDerWaalsContact OD1-N 3.15Å |
| 789 | Q | 89.3 | Confident | 85.5 | Confident | 27 Ų | 27 | 36.9 Ų | 36.9 | 13% | 0.126 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -82.8 | -7.6 | 179.9 | -67.1 | -176.4 | -58.8 | 0 | 0 | 113.5 | L620 S624 T784 T785 K786 V787 L791 P792 F793 | L620-Q789 HydrophobicContact CD1-CG 3.93Å; L620-Q789 HydrophobicContact CD2-CG 4.29Å; L620-Q789 HydrophobicContact CG-CG 4.22Å; S624-Q789 PolarHBondContact OG-NE2 3.46Å; T784-Q789 HydrophobicContact CG2-CB 4.16Å; T785-Q789 PolarHBondContact OG1-OE1 3.45Å; K786-Q789 HydrophobicContact CB-CG 4.24Å; K786-Q789 VanDerWaalsContact N-OE1 3.11Å; K786-Q789 WeakPolarHBondContact O-CB 3.19Å; K786-Q789 PolarHBondContact O-N 3.28Å; V787-Q789 PolarHBondContact O-N 2.94Å; Q789-L791 VanDerWaalsContact C-N 3.32Å; Q789-L791 PolarHBondContact O-N 3.01Å; Q789-P792 WeakPolarHBondContact O-CD 3.38Å; Q789-F793 VanDerWaalsContact O-CB 3.23Å; Q789-F793 WeakPolarHBondContact O-CB 3.36Å; Q789-F793 PolarHBondContact O-N 3.36Å |
| 790 | I | 91.2 | Very high | 85.5 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -39.1 | -175 | -170.5 | 60.9 | 0 | 0 | 0 | 112.8 | Y547 L769 Y773 P778 V787 D788 Y794 | Y547-I790 HydrophobicContact CD1-CG1 4.27Å; Y547-I790 HydrophobicContact CE1-CD1 4.38Å; Y547-I790 HydrophobicContact CE1-CG1 4.23Å; Y547-I790 HydrophobicContact CG-CG1 4.45Å; L769-I790 HydrophobicContact CD1-CG2 4.08Å; Y773-I790 HydrophobicContact CD2-CD1 3.66Å; Y773-I790 HydrophobicContact CD2-CG1 4.36Å; Y773-I790 HydrophobicContact CE2-CD1 4.18Å; Y773-I790 HydrophobicContact CG-CD1 4.24Å; P778-I790 HydrophobicContact CG-CD1 3.84Å; V787-I790 VanDerWaalsContact O-CG2 3.3Å; V787-I790 WeakPolarHBondContact O-CG2 3.13Å; D788-I790 VanDerWaalsContact C-N 3.33Å; I790-Y794 WeakPolarHBondContact O-CB 3.27Å; I790-Y794 PolarHBondContact O-N 2.84Å |
| 791 | L | 93.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72.6 | -50.4 | 178.4 | 177.7 | 58.4 | 0 | 0 | 0 | 112.4 | P543 I765 L769 Q789 F793 Y794 V795 F809 | P543-L791 HydrophobicContact CB-CD2 4.38Å; P543-L791 HydrophobicContact CG-CD2 4.06Å; I765-L791 HydrophobicContact CG2-CD1 3.54Å; I765-L791 HydrophobicContact CG2-CD2 3.99Å; I765-L791 HydrophobicContact CG2-CG 4.39Å; L769-L791 HydrophobicContact CD1-CB 4.01Å; L769-L791 HydrophobicContact CD1-CD1 4.27Å; L769-L791 HydrophobicContact CD2-CD1 4.09Å; Q789-L791 VanDerWaalsContact C-N 3.32Å; Q789-L791 PolarHBondContact O-N 3.01Å; L791-F793 PolarHBondContact O-N 3.34Å; L791-Y794 HydrophobicContact CD1-CD1 4.43Å; L791-Y794 WeakPolarHBondContact O-CB 3.32Å; L791-Y794 PolarHBondContact O-N 3.24Å; L791-Y794 VanDerWaalsContact O-N 3.11Å; L791-V795 HydrophobicContact CD1-CG2 4.23Å; L791-V795 WeakPolarHBondContact O-CG2 3.35Å; L791-V795 PolarHBondContact O-N 3.36Å; L791-F809 HydrophobicContact CD1-CE2 4.4Å; L791-F809 HydrophobicContact CD2-CE2 3.7Å; L791-F809 HydrophobicContact CD2-CZ 4.24Å; L791-F809 HydrophobicContact CG-CE2 3.66Å; L791-F809 HydrophobicContact CG-CZ 3.83Å |
| 792 | P | 91.5 | Very high | 85.9 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53 | -42 | 170.9 | -27.5 | 32.3 | 0 | 0 | 0 | 113.2 | L540 A621 V625 Q789 V795 M796 F809 | L540-P792 HydrophobicContact CD2-CG 3.82Å; A621-P792 HydrophobicContact CB-CG 4.34Å; V625-P792 HydrophobicContact CG1-CB 4.01Å; Q789-P792 WeakPolarHBondContact O-CD 3.38Å; P792-V795 PolarHBondContact O-N 2.95Å; P792-M796 WeakPolarHBondContact O-CG 3.3Å; P792-M796 PolarHBondContact O-N 3.44Å; P792-M796 VanDerWaalsContact O-N 3.14Å; P792-F809 HydrophobicContact CB-CE1 4.14Å; P792-F809 HydrophobicContact CB-CZ 4.37Å; P792-F809 HydrophobicContact CG-CE1 4.18Å; P792-F809 HydrophobicContact CG-CZ 3.99Å |
| 793 | F | 90.1 | Very high | 86.1 | Confident | 12 Ų | 12 | 33.4 Ų | 33.4 | 5% | 0.053 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 176.5 | -178.8 | -97 | 0 | 0 | 0 | 111.9 | L475 Y773 P778 L783 T784 Q789 L791 V795 M796 N797 | L475-F793 HydrophobicContact CD1-CE2 4.16Å; L475-F793 HydrophobicContact CD2-CD2 4.33Å; L475-F793 HydrophobicContact CD2-CE2 4.33Å; Y773-F793 HydrophobicContact CE1-CD1 4.34Å; Y773-F793 AromaticContact CE1-CE1 3.86Å; Y773-F793 HydrophobicContact CE1-CE1 3.86Å; Y773-F793 HydrophobicContact CE2-CD1 4.08Å; Y773-F793 HydrophobicContact CE2-CE1 4.42Å; Y773-F793 AromaticContact CZ-CD1 3.74Å; Y773-F793 AromaticContact CZ-CE1 3.67Å; Y773-F793 WeakPolarHBondContact OH-CD1 3.26Å; Y773-F793 WeakPolarHBondContact OH-CE1 3.25Å; P778-F793 HydrophobicContact CB-CD1 3.84Å; P778-F793 HydrophobicContact CB-CE1 3.57Å; P778-F793 HydrophobicContact CB-CZ 4.03Å; P778-F793 HydrophobicContact CG-CD1 3.65Å; P778-F793 HydrophobicContact CG-CE1 3.4Å; P778-F793 VanDerWaalsContact CG-CE1 3.4Å; P778-F793 HydrophobicContact CG-CZ 4.29Å; L783-F793 HydrophobicContact CB-CE2 4.05Å; L783-F793 HydrophobicContact CB-CZ 4.23Å; L783-F793 HydrophobicContact CD1-CE2 4.5Å; L783-F793 HydrophobicContact CD1-CZ 3.97Å; T784-F793 HydrophobicContact CG2-CB 3.7Å; T784-F793 HydrophobicContact CG2-CD1 4.43Å; T784-F793 HydrophobicContact CG2-CD2 3.78Å; T784-F793 HydrophobicContact CG2-CG 3.71Å; Q789-F793 VanDerWaalsContact O-CB 3.23Å; Q789-F793 WeakPolarHBondContact O-CB 3.36Å; Q789-F793 PolarHBondContact O-N 3.36Å; L791-F793 PolarHBondContact O-N 3.34Å; F793-V795 PolarHBondContact O-N 3.03Å; F793-M796 PolarHBondContact O-N 2.76Å; F793-N797 HydrophobicContact CD1-CB 4.38Å; F793-N797 HydrophobicContact CE1-CB 4.06Å; F793-N797 HydrophobicContact CZ-CB 4.18Å; F793-N797 WeakPolarHBondContact O-CB 3.41Å; F793-N797 PolarHBondContact O-N 3.13Å |
| 794 | Y | 91.6 | Very high | 86.5 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.4 | -47.7 | 174.5 | -178.8 | -117.4 | 0 | 0 | 0 | 112.6 | G675 E678 I768 L769 A772 Y773 I790 L791 M796 N797 K798 L799 | G675-Y794 WeakPolarHBondContact CA-OH 3.44Å; E678-Y794 PolarHBondContact OE2-OH 3.29Å; I768-Y794 HydrophobicContact CG2-CE1 3.94Å; L769-Y794 HydrophobicContact CD2-CD1 3.67Å; L769-Y794 HydrophobicContact CD2-CD2 4.17Å; L769-Y794 HydrophobicContact CD2-CG 3.44Å; L769-Y794 VanDerWaalsContact CD2-CG 3.44Å; A772-Y794 HydrophobicContact CB-CD2 3.94Å; A772-Y794 HydrophobicContact CB-CE2 3.66Å; Y773-Y794 AromaticContact CE2-CD2 3.66Å; Y773-Y794 HydrophobicContact CE2-CD2 3.66Å; Y773-Y794 HydrophobicContact CE2-CG 4.2Å; I790-Y794 WeakPolarHBondContact O-CB 3.27Å; I790-Y794 PolarHBondContact O-N 2.84Å; L791-Y794 HydrophobicContact CD1-CD1 4.43Å; L791-Y794 WeakPolarHBondContact O-CB 3.32Å; L791-Y794 PolarHBondContact O-N 3.24Å; L791-Y794 VanDerWaalsContact O-N 3.11Å; Y794-M796 VanDerWaalsContact C-N 3.27Å; Y794-M796 PolarHBondContact O-N 2.82Å; Y794-N797 PolarHBondContact O-N 2.99Å; Y794-K798 HydrophobicContact CD2-CB 3.87Å; Y794-K798 HydrophobicContact CD2-CG 3.8Å; Y794-K798 HydrophobicContact CE2-CB 3.56Å; Y794-K798 HydrophobicContact CE2-CG 3.66Å; Y794-K798 PolarHBondContact O-N 3.3Å; Y794-L799 HydrophobicContact CD1-CD1 3.92Å; Y794-L799 HydrophobicContact CD1-CG 4.22Å; Y794-L799 HydrophobicContact CE1-CD1 3.53Å; Y794-L799 HydrophobicContact CE1-CD2 4.09Å; Y794-L799 HydrophobicContact CE1-CG 3.8Å; Y794-L799 PolarHBondContact O-N 3.43Å |
| 795 | V | 91.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.6 | -39.3 | -179.2 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | I671 L791 P792 F793 L799 S800 P806 F809 | I671-V795 HydrophobicContact CD1-CG2 4.32Å; L791-V795 HydrophobicContact CD1-CG2 4.23Å; L791-V795 WeakPolarHBondContact O-CG2 3.35Å; L791-V795 PolarHBondContact O-N 3.36Å; P792-V795 PolarHBondContact O-N 2.95Å; F793-V795 PolarHBondContact O-N 3.03Å; V795-L799 HydrophobicContact CG2-CD1 4.34Å; V795-L799 CarbonylContact O-C 3.59Å; V795-L799 VanDerWaalsContact O-C 3.28Å; V795-L799 WeakPolarHBondContact O-CA 3.44Å; V795-L799 WeakPolarHBondContact O-CB 3.3Å; V795-L799 PolarHBondContact O-N 2.86Å; V795-S800 PolarHBondContact O-N 3.41Å; V795-P806 HydrophobicContact CG1-CB 4.05Å; V795-P806 HydrophobicContact CG1-CG 4.15Å; V795-F809 HydrophobicContact CB-CD1 4.05Å; V795-F809 HydrophobicContact CB-CE1 4.29Å; V795-F809 HydrophobicContact CB-CG 4.43Å; V795-F809 HydrophobicContact CG1-CB 4.14Å; V795-F809 HydrophobicContact CG1-CD1 3.86Å; V795-F809 HydrophobicContact CG1-CG 4.15Å; V795-F809 HydrophobicContact CG2-CB 4.4Å; V795-F809 HydrophobicContact CG2-CD1 3.87Å; V795-F809 HydrophobicContact CG2-CD2 4.06Å; V795-F809 HydrophobicContact CG2-CE1 4.06Å; V795-F809 HydrophobicContact CG2-CE2 4.21Å; V795-F809 HydrophobicContact CG2-CG 3.84Å; V795-F809 HydrophobicContact CG2-CZ 4.19Å |
| 796 | M | 89.1 | Confident | 87.5 | Confident | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.025 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -83.4 | -28.2 | -179.2 | -62.2 | -51.5 | -72.9 | 0 | 0 | 114.5 | L475 G476 F478 V625 P792 F793 Y794 S800 P806 | L475-M796 HydrophobicContact CD2-CB 4.25Å; G476-M796 PolarHBondContact N-O 2.66Å; G476-M796 WeakPolarHBondContact O-CE 3.45Å; F478-M796 HydrophobicContact CB-CE 4.47Å; F478-M796 HydrophobicContact CD2-CE 4.32Å; F478-M796 HydrophobicContact CD2-SD 4.49Å; V625-M796 HydrophobicContact CB-CE 4.21Å; V625-M796 HydrophobicContact CB-CG 3.74Å; V625-M796 HydrophobicContact CB-SD 3.7Å; V625-M796 HydrophobicContact CG1-CG 3.44Å; V625-M796 VanDerWaalsContact CG1-CG 3.44Å; V625-M796 HydrophobicContact CG1-SD 3.85Å; P792-M796 WeakPolarHBondContact O-CG 3.3Å; P792-M796 PolarHBondContact O-N 3.44Å; P792-M796 VanDerWaalsContact O-N 3.14Å; F793-M796 PolarHBondContact O-N 2.76Å; Y794-M796 VanDerWaalsContact C-N 3.27Å; Y794-M796 PolarHBondContact O-N 2.82Å; M796-S800 WeakPolarHBondContact O-CB 3.35Å; M796-S800 PolarHBondContact O-OG 3.05Å; M796-P806 HydrophobicContact SD-CB 3.86Å; M796-P806 HydrophobicContact SD-CG 4.28Å |
| 797 | N | 87.3 | Confident | 88 | Confident | 38 Ų | 38 | 24.2 Ų | 24.2 | 20% | 0.203 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -87.7 | -39.5 | -177.4 | -176.2 | 31.1 | 0 | 0 | 0 | 112.4 | I473 Y773 F793 Y794 | I473-N797 WeakPolarHBondContact CG2-OD1 3.43Å; Y773-N797 WeakPolarHBondContact OH-CB 3.3Å; Y773-N797 PolarHBondContact OH-ND2 3.49Å; F793-N797 HydrophobicContact CD1-CB 4.38Å; F793-N797 HydrophobicContact CE1-CB 4.06Å; F793-N797 HydrophobicContact CZ-CB 4.18Å; F793-N797 WeakPolarHBondContact O-CB 3.41Å; F793-N797 PolarHBondContact O-N 3.13Å; Y794-N797 PolarHBondContact O-N 2.99Å |
| 798 | K | 85.6 | Confident | 88.3 | Confident | 82 Ų | 82 | 25 Ų | 25 | 36% | 0.357 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -44.5 | -174.9 | -66.1 | -66.9 | -174.9 | -179.1 | 0 | 111.8 | Y794 H801 | Y794-K798 HydrophobicContact CD2-CB 3.87Å; Y794-K798 HydrophobicContact CD2-CG 3.8Å; Y794-K798 HydrophobicContact CE2-CB 3.56Å; Y794-K798 HydrophobicContact CE2-CG 3.66Å; Y794-K798 PolarHBondContact O-N 3.3Å; K798-H801 PolarHBondContact O-CE1 3.03Å; K798-H801 VanDerWaalsContact O-CE1 3.31Å; K798-H801 PolarHBondContact O-ND1 2.84Å |
| 799 | L | 88.8 | Confident | 88.5 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -94.3 | 0.2 | -169.6 | -51.5 | -174.8 | 0 | 0 | 0 | 115.1 | I671 T674 Y794 V795 H801 A802 L805 | I671-L799 HydrophobicContact CG1-CD1 4.49Å; I671-L799 HydrophobicContact CG2-CD1 4.1Å; T674-L799 HydrophobicContact CG2-CD2 3.68Å; Y794-L799 HydrophobicContact CD1-CD1 3.92Å; Y794-L799 HydrophobicContact CD1-CG 4.22Å; Y794-L799 HydrophobicContact CE1-CD1 3.53Å; Y794-L799 HydrophobicContact CE1-CD2 4.09Å; Y794-L799 HydrophobicContact CE1-CG 3.8Å; Y794-L799 PolarHBondContact O-N 3.43Å; V795-L799 HydrophobicContact CG2-CD1 4.34Å; V795-L799 CarbonylContact O-C 3.59Å; V795-L799 VanDerWaalsContact O-C 3.28Å; V795-L799 WeakPolarHBondContact O-CA 3.44Å; V795-L799 WeakPolarHBondContact O-CB 3.3Å; V795-L799 PolarHBondContact O-N 2.86Å; L799-H801 PolarHBondContact O-N 3.26Å; L799-H801 VanDerWaalsContact O-N 3.12Å; L799-A802 PolarHBondContact O-N 2.97Å; L799-A802 VanDerWaalsContact O-N 3.07Å; L799-L805 HydrophobicContact CB-CD2 3.92Å; L799-L805 HydrophobicContact CD1-CD2 4.04Å |
| 800 | S | 84.7 | Confident | 88.5 | Confident | 39 Ų | 39 | 23.8 Ų | 23.8 | 27% | 0.273 | 13% | 0.13 | S | C | . | . | G | 310 helix | trans | -65 | -17.4 | -177.6 | 63.4 | 0 | 0 | 0 | 0 | 113.8 | V795 M796 A802 | V795-S800 PolarHBondContact O-N 3.41Å; M796-S800 WeakPolarHBondContact O-CB 3.35Å; M796-S800 PolarHBondContact O-OG 3.05Å; S800-A802 VanDerWaalsContact C-N 3.27Å; S800-A802 PolarHBondContact O-N 3.29Å |
| 801 | H | 84.3 | Confident | 88.4 | Confident | 118 Ų | 118 | 23.6 Ų | 23.6 | 55% | 0.546 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -69.3 | -25 | 175.4 | 70.6 | -88.3 | 0 | 0 | 0 | 112.6 | E678 K798 L799 T803 | E678-H801 IonicContact OE1-CE1 3.27Å; E678-H801 PolarHBondContact OE1-CE1 3.36Å; E678-H801 VanDerWaalsContact OE1-CE1 3.27Å; E678-H801 IonicContact OE1-ND1 3.89Å; K798-H801 PolarHBondContact O-CE1 3.03Å; K798-H801 VanDerWaalsContact O-CE1 3.31Å; K798-H801 PolarHBondContact O-ND1 2.84Å; L799-H801 PolarHBondContact O-N 3.26Å; L799-H801 VanDerWaalsContact O-N 3.12Å; H801-T803 PolarHBondContact O-N 3.39Å |
| 802 | A | 85.2 | Confident | 88.2 | Confident | 26 Ų | 26 | 23.7 Ų | 23.7 | 22% | 0.215 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -84.5 | 87.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L799 S800 G804 L805 | L799-A802 PolarHBondContact O-N 2.97Å; L799-A802 VanDerWaalsContact O-N 3.07Å; S800-A802 VanDerWaalsContact C-N 3.27Å; S800-A802 PolarHBondContact O-N 3.29Å; A802-G804 PolarHBondContact O-N 3.1Å; A802-L805 HydrophobicContact CB-CB 3.95Å; A802-L805 HydrophobicContact CB-CD2 3.92Å; A802-L805 WeakPolarHBondContact O-CB 3.48Å; A802-L805 PolarHBondContact O-N 3.04Å |
| 803 | T | 83.1 | Confident | 88.2 | Confident | 104 Ų | 104 | 23.7 Ų | 23.7 | 64% | 0.638 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 125.3 | -177 | -50.4 | 0 | 0 | 0 | 0 | 112.2 | V481 H801 | V481-T803 HydrophobicContact CB-CG2 3.97Å; V481-T803 HydrophobicContact CG1-CG2 4.31Å; V481-T803 HydrophobicContact CG2-CG2 4Å; H801-T803 PolarHBondContact O-N 3.39Å |
| 804 | G | 85.7 | Confident | 88 | Confident | 8 Ų | 8 | 23.2 Ų | 23.2 | 8% | 0.082 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | -18.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D482 I485 A802 G807 L808 | D482-G804 WeakPolarHBondContact OD1-CA 3.22Å; D482-G804 PolarHBondContact OD1-N 2.75Å; D482-G804 VanDerWaalsContact OD1-N 3.12Å; I485-G804 WeakPolarHBondContact CD1-O 3.5Å; A802-G804 PolarHBondContact O-N 3.1Å; G804-G807 PolarHBondContact O-N 2.89Å; G804-L808 WeakPolarHBondContact O-CB 3.44Å; G804-L808 PolarHBondContact O-N 2.66Å |
| 805 | L | 89.7 | Confident | 87.7 | Confident | 15 Ų | 15 | 23.1 Ų | 23.1 | 8% | 0.079 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.8 | -44 | 178.9 | -175.1 | 66.3 | 0 | 0 | 0 | 112.6 | A670 T674 L799 A802 G807 L808 F809 | A670-L805 HydrophobicContact CB-CD1 3.36Å; T674-L805 HydrophobicContact CG2-CD2 4.34Å; L799-L805 HydrophobicContact CB-CD2 3.92Å; L799-L805 HydrophobicContact CD1-CD2 4.04Å; A802-L805 HydrophobicContact CB-CB 3.95Å; A802-L805 HydrophobicContact CB-CD2 3.92Å; A802-L805 WeakPolarHBondContact O-CB 3.48Å; A802-L805 PolarHBondContact O-N 3.04Å; L805-G807 VanDerWaalsContact C-N 3.29Å; L805-G807 PolarHBondContact O-N 3.37Å; L805-L808 PolarHBondContact O-N 3.03Å; L805-F809 WeakPolarHBondContact O-CB 2.85Å; L805-F809 PolarHBondContact O-N 3.33Å |
| 806 | P | 89.4 | Confident | 87.6 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -55.9 | -43.2 | 169.7 | -26.4 | 35.5 | 0 | 0 | 0 | 112.8 | F478 D482 V795 M796 F809 V810 | F478-P806 HydrophobicContact CD2-CB 4.07Å; F478-P806 HydrophobicContact CE2-CB 3.97Å; D482-P806 WeakPolarHBondContact OD1-CD 3.33Å; V795-P806 HydrophobicContact CG1-CB 4.05Å; V795-P806 HydrophobicContact CG1-CG 4.15Å; M796-P806 HydrophobicContact SD-CB 3.86Å; M796-P806 HydrophobicContact SD-CG 4.28Å; P806-F809 PolarHBondContact O-N 3.34Å; P806-V810 WeakPolarHBondContact O-CG2 3.23Å; P806-V810 PolarHBondContact O-N 2.79Å |
| 807 | G | 88.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.2 | -47.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D482 G804 L805 F809 V810 A811 | D482-G807 PolarHBondContact OD1-N 3.29Å; G804-G807 PolarHBondContact O-N 2.89Å; L805-G807 VanDerWaalsContact C-N 3.29Å; L805-G807 PolarHBondContact O-N 3.37Å; G807-F809 PolarHBondContact O-N 3.23Å; G807-V810 PolarHBondContact O-N 3.46Å; G807-A811 WeakPolarHBondContact O-CB 3.39Å; G807-A811 PolarHBondContact O-N 3.41Å |
| 808 | L | 89.4 | Confident | 87.5 | Confident | 41 Ų | 41 | 21.6 Ų | 21.6 | 22% | 0.215 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.5 | -39 | 177.6 | -178.6 | 62.3 | 0 | 0 | 0 | 112.5 | L663 A670 G804 L805 S812 | L663-L808 HydrophobicContact CD1-CD1 3.58Å; A670-L808 HydrophobicContact CB-CD2 3.89Å; G804-L808 WeakPolarHBondContact O-CB 3.44Å; G804-L808 PolarHBondContact O-N 2.66Å; L805-L808 PolarHBondContact O-N 3.03Å; L808-S812 WeakPolarHBondContact O-CB 3.27Å; L808-S812 PolarHBondContact O-N 3.49Å; L808-S812 PolarHBondContact O-OG 2.94Å |
| 809 | F | 90 | Very high | 87.6 | Confident | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.009 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.7 | -50.3 | 175.5 | 164.5 | -110.4 | 0 | 0 | 0 | 111.9 | L540 I671 L791 P792 V795 L805 P806 G807 A811 S812 I813 | L540-F809 HydrophobicContact CD2-CZ 4.45Å; I671-F809 HydrophobicContact CD1-CB 4.22Å; I671-F809 HydrophobicContact CD1-CD2 3.44Å; I671-F809 VanDerWaalsContact CD1-CD2 3.44Å; I671-F809 HydrophobicContact CD1-CE2 4.14Å; I671-F809 HydrophobicContact CD1-CG 4.17Å; L791-F809 HydrophobicContact CD1-CE2 4.4Å; L791-F809 HydrophobicContact CD2-CE2 3.7Å; L791-F809 HydrophobicContact CD2-CZ 4.24Å; L791-F809 HydrophobicContact CG-CE2 3.66Å; L791-F809 HydrophobicContact CG-CZ 3.83Å; P792-F809 HydrophobicContact CB-CE1 4.14Å; P792-F809 HydrophobicContact CB-CZ 4.37Å; P792-F809 HydrophobicContact CG-CE1 4.18Å; P792-F809 HydrophobicContact CG-CZ 3.99Å; V795-F809 HydrophobicContact CB-CD1 4.05Å; V795-F809 HydrophobicContact CB-CE1 4.29Å; V795-F809 HydrophobicContact CB-CG 4.43Å; V795-F809 HydrophobicContact CG1-CB 4.14Å; V795-F809 HydrophobicContact CG1-CD1 3.86Å; V795-F809 HydrophobicContact CG1-CG 4.15Å; V795-F809 HydrophobicContact CG2-CB 4.4Å; V795-F809 HydrophobicContact CG2-CD1 3.87Å; V795-F809 HydrophobicContact CG2-CD2 4.06Å; V795-F809 HydrophobicContact CG2-CE1 4.06Å; V795-F809 HydrophobicContact CG2-CE2 4.21Å; V795-F809 HydrophobicContact CG2-CG 3.84Å; V795-F809 HydrophobicContact CG2-CZ 4.19Å; L805-F809 WeakPolarHBondContact O-CB 2.85Å; L805-F809 PolarHBondContact O-N 3.33Å; P806-F809 PolarHBondContact O-N 3.34Å; G807-F809 PolarHBondContact O-N 3.23Å; F809-A811 VanDerWaalsContact C-N 3.31Å; F809-A811 PolarHBondContact O-N 3.38Å; F809-S812 WeakPolarHBondContact O-CB 3.43Å; F809-S812 PolarHBondContact O-N 3.4Å; F809-S812 VanDerWaalsContact O-N 3.16Å; F809-I813 HydrophobicContact CD1-CD1 4.38Å; F809-I813 HydrophobicContact CD2-CD1 4.03Å; F809-I813 HydrophobicContact CD2-CG1 4.42Å; F809-I813 HydrophobicContact CE1-CD1 3.7Å; F809-I813 HydrophobicContact CE2-CD1 3.32Å; F809-I813 HydrophobicContact CE2-CG1 4.04Å; F809-I813 HydrophobicContact CZ-CD1 3.14Å; F809-I813 HydrophobicContact CZ-CG1 4.3Å; F809-I813 PolarHBondContact O-N 3.44Å |
| 810 | V | 88.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.9 | -42.5 | 178 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | F478 F486 L622 V625 P806 G807 S812 I813 Y814 | F478-V810 HydrophobicContact CE2-CG2 3.79Å; F478-V810 HydrophobicContact CZ-CB 4.34Å; F478-V810 HydrophobicContact CZ-CG2 4.07Å; F486-V810 HydrophobicContact CD2-CB 4.29Å; F486-V810 HydrophobicContact CD2-CG1 3.56Å; F486-V810 HydrophobicContact CE2-CG1 3.52Å; F486-V810 HydrophobicContact CG-CG1 4.26Å; F486-V810 HydrophobicContact CZ-CG1 4.17Å; L622-V810 HydrophobicContact CD1-CG1 3.68Å; V625-V810 HydrophobicContact CG2-CG2 3.49Å; V625-V810 VanDerWaalsContact CG2-CG2 3.49Å; P806-V810 WeakPolarHBondContact O-CG2 3.23Å; P806-V810 PolarHBondContact O-N 2.79Å; G807-V810 PolarHBondContact O-N 3.46Å; V810-S812 VanDerWaalsContact C-N 3.28Å; V810-S812 PolarHBondContact O-N 2.96Å; V810-I813 PolarHBondContact O-N 3.49Å; V810-Y814 HydrophobicContact CG1-CD2 3.95Å; V810-Y814 HydrophobicContact CG1-CE2 4.18Å; V810-Y814 WeakPolarHBondContact O-CD2 3.23Å; V810-Y814 PolarHBondContact O-N 2.77Å |
| 811 | A | 88.7 | Confident | 88 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.4 | -40.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I485 T489 L663 G807 F809 G815 | I485-A811 HydrophobicContact CG2-CB 4.39Å; T489-A811 HydrophobicContact CG2-CB 3.82Å; T489-A811 WeakPolarHBondContact OG1-CB 3.41Å; L663-A811 HydrophobicContact CD2-CB 4.06Å; G807-A811 WeakPolarHBondContact O-CB 3.39Å; G807-A811 PolarHBondContact O-N 3.41Å; F809-A811 VanDerWaalsContact C-N 3.31Å; F809-A811 PolarHBondContact O-N 3.38Å; A811-G815 PolarHBondContact O-N 3.3Å |
| 812 | S | 90.6 | Very high | 88.1 | Confident | 3 Ų | 3 | 10.2 Ų | 10.2 | 2% | 0.021 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.4 | -46.6 | 175.5 | -61.8 | 0 | 0 | 0 | 0 | 112.2 | L663 V664 L808 F809 V810 G815 A816 | L663-S812 PolarHBondContact O-OG 3.39Å; L663-S812 VanDerWaalsContact O-OG 3.13Å; V664-S812 VanDerWaalsContact CG2-O 3.26Å; V664-S812 WeakPolarHBondContact CG2-O 3.44Å; L808-S812 WeakPolarHBondContact O-CB 3.27Å; L808-S812 PolarHBondContact O-N 3.49Å; L808-S812 PolarHBondContact O-OG 2.94Å; F809-S812 WeakPolarHBondContact O-CB 3.43Å; F809-S812 PolarHBondContact O-N 3.4Å; F809-S812 VanDerWaalsContact O-N 3.16Å; V810-S812 VanDerWaalsContact C-N 3.28Å; V810-S812 PolarHBondContact O-N 2.96Å; S812-G815 PolarHBondContact O-N 3.48Å; S812-A816 PolarHBondContact O-N 3.47Å |
| 813 | I | 89.9 | Confident | 88.2 | Confident | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 177.3 | -66.4 | 176.1 | 0 | 0 | 0 | 111.5 | A536 L539 L540 P618 A621 F809 V810 A816 G817 | A536-I813 HydrophobicContact CB-CG2 3.81Å; L539-I813 HydrophobicContact CD2-CB 4.16Å; L539-I813 HydrophobicContact CD2-CG1 3.43Å; L539-I813 VanDerWaalsContact CD2-CG1 3.43Å; L539-I813 HydrophobicContact CG-CG1 3.93Å; L540-I813 HydrophobicContact CD2-CD1 3.64Å; L540-I813 HydrophobicContact CG-CD1 4.2Å; P618-I813 HydrophobicContact CB-CG2 3.98Å; A621-I813 HydrophobicContact CB-CB 4.49Å; A621-I813 HydrophobicContact CB-CD1 3.61Å; A621-I813 HydrophobicContact CB-CG2 3.93Å; F809-I813 HydrophobicContact CD1-CD1 4.38Å; F809-I813 HydrophobicContact CD2-CD1 4.03Å; F809-I813 HydrophobicContact CD2-CG1 4.42Å; F809-I813 HydrophobicContact CE1-CD1 3.7Å; F809-I813 HydrophobicContact CE2-CD1 3.32Å; F809-I813 HydrophobicContact CE2-CG1 4.04Å; F809-I813 HydrophobicContact CZ-CD1 3.14Å; F809-I813 HydrophobicContact CZ-CG1 4.3Å; F809-I813 PolarHBondContact O-N 3.44Å; V810-I813 PolarHBondContact O-N 3.49Å; I813-A816 PolarHBondContact O-N 3.44Å; I813-G817 PolarHBondContact O-N 2.97Å |
| 814 | Y | 87.7 | Confident | 88.6 | Confident | 3 Ų | 3 | 4 Ų | 4 | 1% | 0.012 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.1 | -92.3 | -106.7 | 0 | 0 | 0 | 111.6 | F486 L490 P618 L622 S633 T637 V810 A816 G817 L818 | F486-Y814 AromaticContact CE2-CD1 3.97Å; F486-Y814 HydrophobicContact CE2-CD1 3.97Å; F486-Y814 AromaticContact CE2-CD2 3.68Å; F486-Y814 HydrophobicContact CE2-CD2 3.68Å; F486-Y814 HydrophobicContact CE2-CE1 4.3Å; F486-Y814 HydrophobicContact CE2-CE2 4.08Å; F486-Y814 AromaticContact CE2-CG 3.63Å; F486-Y814 HydrophobicContact CE2-CG 3.63Å; F486-Y814 HydrophobicContact CZ-CD1 4.11Å; F486-Y814 HydrophobicContact CZ-CD2 4.16Å; F486-Y814 HydrophobicContact CZ-CE1 4Å; F486-Y814 HydrophobicContact CZ-CE2 4.11Å; F486-Y814 HydrophobicContact CZ-CG 4.17Å; L490-Y814 HydrophobicContact CD2-CD1 3.76Å; L490-Y814 HydrophobicContact CD2-CG 4.35Å; P618-Y814 HydrophobicContact CB-CD2 3.86Å; P618-Y814 HydrophobicContact CB-CE1 4.46Å; P618-Y814 HydrophobicContact CB-CE2 3.75Å; P618-Y814 HydrophobicContact CB-CG 4.23Å; P618-Y814 VanDerWaalsContact O-CE2 3.26Å; P618-Y814 WeakPolarHBondContact O-CE2 3.14Å; L622-Y814 HydrophobicContact CB-CE2 3.76Å; L622-Y814 WeakPolarHBondContact CB-OH 3.44Å; L622-Y814 HydrophobicContact CD2-CE2 4.35Å; L622-Y814 VanDerWaalsContact CD2-OH 3.25Å; L622-Y814 WeakPolarHBondContact CD2-OH 3.35Å; L622-Y814 HydrophobicContact CG-CE2 4.46Å; S633-Y814 PolarHBondContact OG-OH 3.37Å; S633-Y814 VanDerWaalsContact OG-OH 3.12Å; T637-Y814 HydrophobicContact CG2-CD1 4.1Å; T637-Y814 HydrophobicContact CG2-CE1 3.57Å; T637-Y814 WeakPolarHBondContact OG1-CE1 3.46Å; T637-Y814 VanDerWaalsContact OG1-CZ 3.32Å; T637-Y814 PolarHBondContact OG1-OH 2.84Å; V810-Y814 HydrophobicContact CG1-CD2 3.95Å; V810-Y814 HydrophobicContact CG1-CE2 4.18Å; V810-Y814 WeakPolarHBondContact O-CD2 3.23Å; V810-Y814 PolarHBondContact O-N 2.77Å; Y814-A816 PolarHBondContact O-N 3.49Å; Y814-G817 PolarHBondContact O-N 2.87Å; Y814-L818 WeakPolarHBondContact O-CB 3.15Å; Y814-L818 WeakPolarHBondContact O-CG 3.15Å; Y814-L818 PolarHBondContact O-N 3.44Å |
| 815 | G | 84.3 | Confident | 88.7 | Confident | 1 Ų | 1 | 3.6 Ų | 3.6 | 1% | 0.01 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -55.4 | -50.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q660 A811 S812 S819 | Q660-G815 WeakPolarHBondContact CB-O 3.31Å; Q660-G815 PolarHBondContact OE1-O 2.88Å; A811-G815 PolarHBondContact O-N 3.3Å; S812-G815 PolarHBondContact O-N 3.48Å; G815-S819 WeakPolarHBondContact O-CB 3.48Å; G815-S819 PolarHBondContact O-N 3.42Å |
| 816 | A | 88.6 | Confident | 88.5 | Confident | 2 Ų | 2 | 3.3 Ų | 3.3 | 2% | 0.017 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -60.2 | -47.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L539 V664 S812 I813 Y814 T820 | L539-A816 HydrophobicContact CD2-CB 4.48Å; V664-A816 HydrophobicContact CG2-CB 3.76Å; S812-A816 PolarHBondContact O-N 3.47Å; I813-A816 PolarHBondContact O-N 3.44Å; Y814-A816 PolarHBondContact O-N 3.49Å; A816-T820 PolarHBondContact O-N 2.89Å; A816-T820 PolarHBondContact O-OG1 3.16Å |
| 817 | G | 89.3 | Confident | 88.6 | Confident | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -63.7 | -47.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I813 Y814 S819 T820 L821 | I813-G817 PolarHBondContact O-N 2.97Å; Y814-G817 PolarHBondContact O-N 2.87Å; G817-S819 PolarHBondContact O-N 3.34Å; G817-T820 PolarHBondContact O-N 3.46Å; G817-L821 WeakPolarHBondContact O-CB 3.15Å; G817-L821 WeakPolarHBondContact O-CD1 3.41Å; G817-L821 WeakPolarHBondContact O-CG 3.22Å; G817-L821 PolarHBondContact O-N 3.21Å |
| 818 | L | 85.8 | Confident | 88.8 | Confident | 8 Ų | 8 | 3.2 Ų | 3.2 | 4% | 0.042 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -62.8 | -40.2 | 179.9 | -74.3 | -174.7 | 0 | 0 | 0 | 112.3 | L490 T637 A641 Y644 Y814 T820 L821 A822 | L490-L818 HydrophobicContact CD2-CD1 3.76Å; T637-L818 HydrophobicContact CG2-CD2 4.42Å; A641-L818 HydrophobicContact CB-CD2 3.67Å; Y644-L818 HydrophobicContact CE1-CD1 4.27Å; Y644-L818 HydrophobicContact CE1-CD2 3.89Å; Y644-L818 HydrophobicContact CE1-CG 4.44Å; Y644-L818 WeakPolarHBondContact OH-CB 3.41Å; Y644-L818 PolarHBondContact OH-O 3.31Å; Y814-L818 WeakPolarHBondContact O-CB 3.15Å; Y814-L818 WeakPolarHBondContact O-CG 3.15Å; Y814-L818 PolarHBondContact O-N 3.44Å; L818-T820 PolarHBondContact O-N 3.42Å; L818-L821 HydrophobicContact CD2-CD1 4.24Å; L818-L821 PolarHBondContact O-N 3.32Å; L818-A822 VanDerWaalsContact O-CB 3.3Å; L818-A822 WeakPolarHBondContact O-CB 3.18Å; L818-A822 PolarHBondContact O-N 2.61Å |
| 819 | S | 87.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 1.3 Ų | 1.3 | 0% | 0 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -57.6 | -48.3 | 175.2 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | G531 S657 Q660 G815 G817 S823 | G531-S819 WeakPolarHBondContact CA-OG 3.4Å; G531-S819 VanDerWaalsContact O-CB 3.31Å; G531-S819 WeakPolarHBondContact O-CB 3.47Å; G531-S819 PolarHBondContact O-OG 3.23Å; S657-S819 WeakPolarHBondContact CB-OG 3.47Å; S657-S819 PolarHBondContact OG-OG 2.61Å; S657-S819 VanDerWaalsContact OG-OG 3.07Å; Q660-S819 VanDerWaalsContact OE1-CA 3.25Å; G815-S819 WeakPolarHBondContact O-CB 3.48Å; G815-S819 PolarHBondContact O-N 3.42Å; G817-S819 PolarHBondContact O-N 3.34Å; S819-S823 WeakPolarHBondContact O-CB 3.25Å; S819-S823 PolarHBondContact O-N 3.39Å; S819-S823 VanDerWaalsContact O-N 3.14Å; S819-S823 PolarHBondContact O-OG 3.44Å |
| 820 | T | 90.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 1.3 Ų | 1.3 | 0% | 0 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -69.9 | -43.2 | 179 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | G531 T532 S535 Y610 I611 V614 A816 G817 L818 A822 S823 G824 | G531-T820 PolarHBondContact O-OG1 2.86Å; T532-T820 WeakPolarHBondContact O-CG2 3.31Å; T532-T820 PolarHBondContact O-OG1 3.1Å; S535-T820 WeakPolarHBondContact CA-OG1 3.18Å; S535-T820 WeakPolarHBondContact CB-OG1 3.25Å; Y610-T820 HydrophobicContact CE1-CG2 3.9Å; I611-T820 HydrophobicContact CD1-CG2 4.08Å; V614-T820 HydrophobicContact CB-CG2 4.29Å; V614-T820 HydrophobicContact CG1-CG2 3.7Å; V614-T820 HydrophobicContact CG2-CG2 3.82Å; A816-T820 PolarHBondContact O-N 2.89Å; A816-T820 PolarHBondContact O-OG1 3.16Å; G817-T820 PolarHBondContact O-N 3.46Å; L818-T820 PolarHBondContact O-N 3.42Å; T820-A822 PolarHBondContact O-N 3.35Å; T820-S823 PolarHBondContact O-N 2.84Å; T820-G824 PolarHBondContact O-N 2.79Å |
| 821 | L | 90.4 | Very high | 89 | Confident | 0 Ų | 0 | 1.3 Ų | 1.3 | 0% | 0 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -57 | -49.1 | 176.4 | -76.8 | 164.2 | 0 | 0 | 0 | 111.3 | I611 V614 L615 A641 G817 L818 S823 G824 F825 | I611-L821 HydrophobicContact CG2-CD2 3.4Å; I611-L821 HydrophobicContact CG2-CG 4.43Å; V614-L821 HydrophobicContact CG1-CG 4.23Å; L615-L821 HydrophobicContact CB-CD1 4.43Å; L615-L821 HydrophobicContact CB-CD2 3.74Å; L615-L821 HydrophobicContact CD1-CD1 3.7Å; L615-L821 HydrophobicContact CD1-CD2 4.26Å; L615-L821 HydrophobicContact CG-CD2 4.44Å; A641-L821 HydrophobicContact CB-CB 4.23Å; A641-L821 HydrophobicContact CB-CD1 3.91Å; G817-L821 WeakPolarHBondContact O-CB 3.15Å; G817-L821 WeakPolarHBondContact O-CD1 3.41Å; G817-L821 WeakPolarHBondContact O-CG 3.22Å; G817-L821 PolarHBondContact O-N 3.21Å; L818-L821 HydrophobicContact CD2-CD1 4.24Å; L818-L821 PolarHBondContact O-N 3.32Å; L821-S823 PolarHBondContact O-N 3.43Å; L821-G824 PolarHBondContact O-N 2.85Å; L821-F825 HydrophobicContact CB-CE2 4.42Å; L821-F825 HydrophobicContact CB-CZ 4.21Å; L821-F825 HydrophobicContact CD2-CE1 4.02Å; L821-F825 HydrophobicContact CD2-CZ 3.85Å; L821-F825 VanDerWaalsContact O-CD1 3.27Å; L821-F825 WeakPolarHBondContact O-CD1 3.28Å; L821-F825 WeakPolarHBondContact O-CG 3.34Å; L821-F825 PolarHBondContact O-N 3.41Å |
| 822 | A | 85.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y644 T645 V653 L818 T820 G824 F825 T826 | Y644-A822 HydrophobicContact CE2-CB 3.95Å; T645-A822 HydrophobicContact CG2-CB 4.04Å; T645-A822 WeakPolarHBondContact OG1-CA 3.47Å; T645-A822 WeakPolarHBondContact OG1-CB 3.3Å; V653-A822 HydrophobicContact CB-CB 4.45Å; V653-A822 HydrophobicContact CG1-CB 3.72Å; V653-A822 HydrophobicContact CG2-CB 3.87Å; L818-A822 VanDerWaalsContact O-CB 3.3Å; L818-A822 WeakPolarHBondContact O-CB 3.18Å; L818-A822 PolarHBondContact O-N 2.61Å; T820-A822 PolarHBondContact O-N 3.35Å; A822-G824 VanDerWaalsContact C-N 3.32Å; A822-G824 PolarHBondContact O-N 2.85Å; A822-F825 PolarHBondContact O-N 3.21Å; A822-T826 WeakPolarHBondContact O-CG2 3.3Å; A822-T826 PolarHBondContact O-N 3.41Å; A822-T826 PolarHBondContact O-OG1 3.05Å |
| 823 | S | 88.1 | Confident | 89.3 | Confident | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -62.6 | -38.7 | 177.8 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | T532 R734 S819 T820 L821 T826 A827 | T532-S823 PolarHBondContact OG1-OG 2.94Å; R734-S823 PolarHBondContact NH2-OG 2.99Å; S819-S823 WeakPolarHBondContact O-CB 3.25Å; S819-S823 PolarHBondContact O-N 3.39Å; S819-S823 VanDerWaalsContact O-N 3.14Å; S819-S823 PolarHBondContact O-OG 3.44Å; T820-S823 PolarHBondContact O-N 2.84Å; L821-S823 PolarHBondContact O-N 3.43Å; S823-T826 PolarHBondContact O-OG1 2.87Å; S823-T826 VanDerWaalsContact O-OG1 3.09Å; S823-A827 WeakPolarHBondContact O-CB 3.46Å; S823-A827 PolarHBondContact O-N 2.92Å |
| 824 | G | 90.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -66.4 | -44.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T820 L821 A822 A827 L828 | T820-G824 PolarHBondContact O-N 2.79Å; L821-G824 PolarHBondContact O-N 2.85Å; A822-G824 VanDerWaalsContact C-N 3.32Å; A822-G824 PolarHBondContact O-N 2.85Å; G824-A827 PolarHBondContact O-N 3.34Å; G824-L828 WeakPolarHBondContact O-CB 3.48Å; G824-L828 WeakPolarHBondContact O-CG 3.49Å; G824-L828 PolarHBondContact O-N 3.38Å |
| 825 | F | 89 | Confident | 89.6 | Confident | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -65.4 | -42.6 | 178.4 | -61.2 | -10.9 | 0 | 0 | 0 | 111.6 | I611 A641 T645 L821 A822 A829 I869 | I611-F825 HydrophobicContact CG2-CD1 4.23Å; I611-F825 HydrophobicContact CG2-CE1 3.77Å; A641-F825 HydrophobicContact CB-CE2 4.01Å; A641-F825 HydrophobicContact CB-CZ 4.47Å; T645-F825 HydrophobicContact CG2-CB 3.92Å; T645-F825 HydrophobicContact CG2-CD2 4.13Å; L821-F825 HydrophobicContact CB-CE2 4.42Å; L821-F825 HydrophobicContact CB-CZ 4.21Å; L821-F825 HydrophobicContact CD2-CE1 4.02Å; L821-F825 HydrophobicContact CD2-CZ 3.85Å; L821-F825 VanDerWaalsContact O-CD1 3.27Å; L821-F825 WeakPolarHBondContact O-CD1 3.28Å; L821-F825 WeakPolarHBondContact O-CG 3.34Å; L821-F825 PolarHBondContact O-N 3.41Å; A822-F825 PolarHBondContact O-N 3.21Å; F825-A829 VanDerWaalsContact O-CB 3.27Å; F825-A829 WeakPolarHBondContact O-CB 3.39Å; F825-A829 PolarHBondContact O-N 3.4Å; F825-I869 HydrophobicContact CD1-CD1 3.56Å; F825-I869 HydrophobicContact CE1-CB 4.13Å; F825-I869 HydrophobicContact CE1-CD1 3.38Å; F825-I869 HydrophobicContact CE1-CG1 4.32Å; F825-I869 HydrophobicContact CE1-CG2 4.04Å |
| 826 | T | 85.9 | Confident | 90 | Very high | 8 Ų | 8 | 7.9 Ų | 7.9 | 5% | 0.049 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -67.5 | -38.5 | 177.4 | 61.7 | 0 | 0 | 0 | 0 | 111.6 | T645 V653 A822 S823 A829 A830 | T645-T826 HydrophobicContact CG2-CG2 3.89Å; V653-T826 HydrophobicContact CG2-CG2 4.31Å; A822-T826 WeakPolarHBondContact O-CG2 3.3Å; A822-T826 PolarHBondContact O-N 3.41Å; A822-T826 PolarHBondContact O-OG1 3.05Å; S823-T826 PolarHBondContact O-OG1 2.87Å; S823-T826 VanDerWaalsContact O-OG1 3.09Å; T826-A829 PolarHBondContact O-N 3.45Å; T826-A830 WeakPolarHBondContact O-CB 3.39Å; T826-A830 PolarHBondContact O-N 2.92Å |
| 827 | A | 90 | Very high | 90.2 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.8 | -46 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | F603 Q729 M730 S823 G824 A830 V831 | F603-A827 HydrophobicContact CZ-CB 4.17Å; Q729-A827 HydrophobicContact CB-CB 4.01Å; Q729-A827 HydrophobicContact CG-CB 3.86Å; M730-A827 HydrophobicContact CB-CB 4.38Å; M730-A827 HydrophobicContact CG-CB 3.72Å; S823-A827 WeakPolarHBondContact O-CB 3.46Å; S823-A827 PolarHBondContact O-N 2.92Å; G824-A827 PolarHBondContact O-N 3.34Å; A827-A830 PolarHBondContact O-N 3.21Å; A827-V831 WeakPolarHBondContact O-CG2 3.5Å; A827-V831 PolarHBondContact O-N 3.44Å |
| 828 | L | 92.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 173.9 | -83.1 | 169.7 | 0 | 0 | 0 | 111.6 | C604 M607 F608 G824 A830 V831 L832 C865 I869 | C604-L828 HydrophobicContact CB-CD2 4.01Å; M607-L828 HydrophobicContact CB-CD1 4.04Å; M607-L828 HydrophobicContact CB-CD2 3.81Å; M607-L828 HydrophobicContact CB-CG 3.86Å; F608-L828 HydrophobicContact CD1-CD1 4.15Å; F608-L828 HydrophobicContact CE1-CD1 3.98Å; F608-L828 HydrophobicContact CE2-CD2 4.28Å; F608-L828 HydrophobicContact CZ-CD1 4.38Å; F608-L828 HydrophobicContact CZ-CD2 4.35Å; G824-L828 WeakPolarHBondContact O-CB 3.48Å; G824-L828 WeakPolarHBondContact O-CG 3.49Å; G824-L828 PolarHBondContact O-N 3.38Å; L828-A830 VanDerWaalsContact C-N 3.35Å; L828-A830 PolarHBondContact O-N 3.11Å; L828-V831 PolarHBondContact O-N 3.48Å; L828-L832 VanDerWaalsContact O-CB 3.3Å; L828-L832 WeakPolarHBondContact O-CB 3.28Å; L828-L832 VanDerWaalsContact O-CG 3.27Å; L828-L832 WeakPolarHBondContact O-CG 3.48Å; L828-L832 PolarHBondContact O-N 3.23Å; L828-C865 HydrophobicContact CB-CB 4.28Å; L828-C865 HydrophobicContact CD1-CB 4.13Å; L828-I869 HydrophobicContact CD1-CD1 3.71Å |
| 829 | A | 90.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.008 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | F825 T826 L833 L861 A862 | F825-A829 VanDerWaalsContact O-CB 3.27Å; F825-A829 WeakPolarHBondContact O-CB 3.39Å; F825-A829 PolarHBondContact O-N 3.4Å; T826-A829 PolarHBondContact O-N 3.45Å; A829-L833 WeakPolarHBondContact O-CB 3.26Å; A829-L833 PolarHBondContact O-N 3.23Å; A829-L861 HydrophobicContact CB-CB 4.11Å; A829-A862 HydrophobicContact CB-CB 3.95Å |
| 830 | A | 88.9 | Confident | 90.2 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.008 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.5 | -49 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L514 I581 T826 A827 L828 L833 Q834 | L514-A830 HydrophobicContact CD1-CB 4.1Å; L514-A830 HydrophobicContact CD2-CB 4.11Å; L514-A830 HydrophobicContact CG-CB 4.49Å; I581-A830 HydrophobicContact CG2-CB 4.49Å; T826-A830 WeakPolarHBondContact O-CB 3.39Å; T826-A830 PolarHBondContact O-N 2.92Å; A827-A830 PolarHBondContact O-N 3.21Å; L828-A830 VanDerWaalsContact C-N 3.35Å; L828-A830 PolarHBondContact O-N 3.11Å; A830-L833 PolarHBondContact O-N 2.87Å; A830-Q834 VanDerWaalsContact O-CB 3.3Å; A830-Q834 WeakPolarHBondContact O-CB 3.47Å; A830-Q834 PolarHBondContact O-N 2.68Å |
| 831 | V | 93.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.2 | -47.2 | -179.9 | 171.3 | 0 | 0 | 0 | 0 | 111 | Y584 F603 Q729 A827 L828 L833 Q834 D835 | Y584-V831 HydrophobicContact CD2-CG1 4.21Å; Y584-V831 HydrophobicContact CD2-CG2 4.1Å; Y584-V831 HydrophobicContact CE2-CG1 4.35Å; Y584-V831 HydrophobicContact CE2-CG2 3.91Å; F603-V831 HydrophobicContact CD1-CB 4.21Å; F603-V831 HydrophobicContact CD1-CG1 4.02Å; F603-V831 HydrophobicContact CD1-CG2 3.88Å; F603-V831 HydrophobicContact CE1-CB 4.07Å; F603-V831 HydrophobicContact CE1-CG1 4.39Å; F603-V831 HydrophobicContact CE1-CG2 3.6Å; Q729-V831 HydrophobicContact CB-CG2 4.09Å; Q729-V831 HydrophobicContact CG-CG2 3.86Å; A827-V831 WeakPolarHBondContact O-CG2 3.5Å; A827-V831 PolarHBondContact O-N 3.44Å; L828-V831 PolarHBondContact O-N 3.48Å; V831-L833 VanDerWaalsContact C-N 3.32Å; V831-L833 PolarHBondContact O-N 3.21Å; V831-Q834 PolarHBondContact O-N 3.36Å; V831-D835 HydrophobicContact CG1-CB 4.5Å; V831-D835 WeakPolarHBondContact CG1-OD2 3.44Å; V831-D835 VanDerWaalsContact O-CB 3.26Å; V831-D835 WeakPolarHBondContact O-CB 3.44Å; V831-D835 PolarHBondContact O-N 3.11Å |
| 832 | L | 94.4 | Very high | 89.9 | Confident | 35 Ų | 35 | 26.1 Ų | 26.1 | 18% | 0.183 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -63.9 | -37.9 | 178.1 | -70.7 | 172.7 | 0 | 0 | 0 | 112.1 | L828 V836 V837 L861 C865 | L828-L832 VanDerWaalsContact O-CB 3.3Å; L828-L832 WeakPolarHBondContact O-CB 3.28Å; L828-L832 VanDerWaalsContact O-CG 3.27Å; L828-L832 WeakPolarHBondContact O-CG 3.48Å; L828-L832 PolarHBondContact O-N 3.23Å; L832-V836 HydrophobicContact CD2-CG2 4.01Å; L832-V836 WeakPolarHBondContact O-CA 3.46Å; L832-V836 VanDerWaalsContact O-CB 3.28Å; L832-V836 WeakPolarHBondContact O-CB 3.24Å; L832-V836 PolarHBondContact O-N 3.28Å; L832-V836 VanDerWaalsContact O-N 3.16Å; L832-V837 PolarHBondContact O-N 2.98Å; L832-L861 HydrophobicContact CB-CD1 4.06Å; L832-L861 HydrophobicContact CB-CD2 4.22Å; L832-L861 HydrophobicContact CD1-CD2 4.42Å; L832-C865 WeakPolarHBondContact CD1-SG 3.41Å |
| 833 | L | 91.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -64.7 | -48.7 | 176.3 | -179.4 | 66.1 | 0 | 0 | 0 | 111.3 | L514 A829 A830 V831 V837 T838 L849 S854 V857 L861 | L514-L833 HydrophobicContact CD1-CD2 3.62Å; A829-L833 WeakPolarHBondContact O-CB 3.26Å; A829-L833 PolarHBondContact O-N 3.23Å; A830-L833 PolarHBondContact O-N 2.87Å; V831-L833 VanDerWaalsContact C-N 3.32Å; V831-L833 PolarHBondContact O-N 3.21Å; L833-V837 HydrophobicContact CD1-CB 4.41Å; L833-V837 PolarHBondContact O-N 3.35Å; L833-T838 VanDerWaalsContact O-CB 3.27Å; L833-T838 WeakPolarHBondContact O-CB 3.33Å; L833-T838 PolarHBondContact O-N 2.87Å; L833-T838 PolarHBondContact O-OG1 3.42Å; L833-L849 HydrophobicContact CD1-CD2 4.5Å; L833-S854 WeakPolarHBondContact CD2-OG 3.46Å; L833-V857 HydrophobicContact CD1-CB 4.17Å; L833-V857 HydrophobicContact CD1-CG1 3.73Å; L833-L861 HydrophobicContact CB-CD1 3.86Å; L833-L861 HydrophobicContact CD1-CD1 4.39Å |
| 834 | Q | 91.3 | Very high | 89.8 | Confident | 38 Ų | 38 | 37 Ų | 37 | 18% | 0.178 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -82.3 | -36.7 | -170.7 | -169.8 | 61.5 | 11.4 | 0 | 0 | 112.9 | I581 E585 R596 A830 V831 P839 | I581-Q834 HydrophobicContact CB-CG 4.2Å; I581-Q834 HydrophobicContact CG2-CB 4.27Å; I581-Q834 HydrophobicContact CG2-CG 4.4Å; E585-Q834 HydrophobicContact CG-CG 4.36Å; E585-Q834 WeakPolarHBondContact OE1-CG 3.44Å; E585-Q834 PolarHBondContact OE1-NE2 3.43Å; E585-Q834 PolarHBondContact OE2-NE2 3.07Å; R596-Q834 PolarHBondContact NH2-O 3.05Å; A830-Q834 VanDerWaalsContact O-CB 3.3Å; A830-Q834 WeakPolarHBondContact O-CB 3.47Å; A830-Q834 PolarHBondContact O-N 2.68Å; V831-Q834 PolarHBondContact O-N 3.36Å; Q834-P839 WeakPolarHBondContact O-CD 3.44Å; Q834-P839 WeakPolarHBondContact O-CG 3.31Å |
| 835 | D | 92.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -98.4 | -21.8 | -173.4 | -60.2 | -27.8 | 0 | 0 | 0 | 113 | S582 R596 S600 V831 | S582-D835 WeakPolarHBondContact CB-OD2 3.41Å; S582-D835 PolarHBondContact OG-OD2 3.11Å; R596-D835 IonicContact CZ-OD1 2.86Å; R596-D835 IonicContact NE-OD1 2.72Å; R596-D835 PolarHBondContact NE-OD1 3.09Å; R596-D835 IonicContact NH2-OD1 3.02Å; R596-D835 PolarHBondContact NH2-OD1 3.27Å; S600-D835 WeakPolarHBondContact CB-OD2 3.43Å; V831-D835 HydrophobicContact CG1-CB 4.5Å; V831-D835 WeakPolarHBondContact CG1-OD2 3.44Å; V831-D835 VanDerWaalsContact O-CB 3.26Å; V831-D835 WeakPolarHBondContact O-CB 3.44Å; V831-D835 PolarHBondContact O-N 3.11Å |
| 836 | V | 92.3 | Very high | 89.2 | Confident | 65 Ų | 65 | 47.3 Ų | 47.3 | 39% | 0.394 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -113.8 | -61.7 | -179.5 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | L832 L840 | L832-V836 HydrophobicContact CD2-CG2 4.01Å; L832-V836 WeakPolarHBondContact O-CA 3.46Å; L832-V836 VanDerWaalsContact O-CB 3.28Å; L832-V836 WeakPolarHBondContact O-CB 3.24Å; L832-V836 PolarHBondContact O-N 3.28Å; L832-V836 VanDerWaalsContact O-N 3.16Å; V836-L840 WeakPolarHBondContact O-CB 3.43Å; V836-L840 PolarHBondContact O-N 3.04Å; V836-L840 VanDerWaalsContact O-N 3.13Å |
| 837 | V | 92.2 | Very high | 89 | Confident | 37 Ų | 37 | 54 Ų | 54 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -72.5 | -47.4 | -168.7 | 179.8 | 0 | 0 | 0 | 0 | 112.5 | L832 L833 L840 H841 V857 L861 | L832-V837 PolarHBondContact O-N 2.98Å; L833-V837 HydrophobicContact CD1-CB 4.41Å; L833-V837 PolarHBondContact O-N 3.35Å; V837-L840 WeakPolarHBondContact O-CB 3.46Å; V837-L840 PolarHBondContact O-N 2.82Å; V837-H841 VanDerWaalsContact O-CB 3.3Å; V837-H841 WeakPolarHBondContact O-CB 3.43Å; V837-H841 PolarHBondContact O-N 2.86Å; V837-V857 HydrophobicContact CG1-CG1 3.97Å; V837-L861 HydrophobicContact CG2-CD1 4.05Å; V837-L861 HydrophobicContact CG2-CD2 4.38Å |
| 838 | T | 89.7 | Confident | 88.4 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 19% | 0.19 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -46.7 | -179.3 | -65 | 0 | 0 | 0 | 0 | 111.9 | L833 L840 H841 R842 L849 | L833-T838 VanDerWaalsContact O-CB 3.27Å; L833-T838 WeakPolarHBondContact O-CB 3.33Å; L833-T838 PolarHBondContact O-N 2.87Å; L833-T838 PolarHBondContact O-OG1 3.42Å; T838-L840 PolarHBondContact O-N 3.28Å; T838-H841 PolarHBondContact O-N 3.49Å; T838-R842 WeakPolarHBondContact O-CB 3.41Å; T838-R842 PolarHBondContact O-N 3.48Å; T838-L849 HydrophobicContact CG2-CD1 4.4Å |
| 839 | P | 87.4 | Confident | 87.9 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 21% | 0.214 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63 | -39.8 | 174.2 | -26.2 | 37.1 | 0 | 0 | 0 | 113 | Q834 R843 | Q834-P839 WeakPolarHBondContact O-CD 3.44Å; Q834-P839 WeakPolarHBondContact O-CG 3.31Å; P839-R843 WeakPolarHBondContact O-CB 3.43Å; P839-R843 PolarHBondContact O-N 3.48Å |
| 840 | L | 87.7 | Confident | 87.6 | Confident | 63 Ų | 63 | 63.9 Ų | 63.9 | 33% | 0.33 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.1 | -52.6 | 173.2 | -120.7 | 62.8 | 0 | 0 | 0 | 110.8 | K444 V836 V837 T838 R842 R843 F844 | K444-L840 HydrophobicContact CD-CD2 3.53Å; K444-L840 HydrophobicContact CD-CG 3.77Å; K444-L840 VanDerWaalsContact NZ-CD2 3.29Å; V836-L840 WeakPolarHBondContact O-CB 3.43Å; V836-L840 PolarHBondContact O-N 3.04Å; V836-L840 VanDerWaalsContact O-N 3.13Å; V837-L840 WeakPolarHBondContact O-CB 3.46Å; V837-L840 PolarHBondContact O-N 2.82Å; T838-L840 PolarHBondContact O-N 3.28Å; L840-R842 VanDerWaalsContact C-N 3.34Å; L840-R842 PolarHBondContact O-N 3Å; L840-R843 WeakPolarHBondContact O-CB 3.34Å; L840-R843 PolarHBondContact O-N 3.35Å; L840-R843 VanDerWaalsContact O-N 3.16Å; L840-F844 HydrophobicContact CG-CD2 4.34Å; L840-F844 HydrophobicContact CG-CE2 4.1Å; L840-F844 WeakPolarHBondContact O-CD2 3.45Å; L840-F844 PolarHBondContact O-N 3.21Å |
| 841 | H | 87.9 | Confident | 87.1 | Confident | 52 Ų | 52 | 66.7 Ų | 66.7 | 24% | 0.241 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.3 | -48.9 | -177.6 | -171.3 | 94.8 | 0 | 0 | 0 | 109.5 | R445 V837 T838 R843 F844 A845 K847 L849 | R445-H841 VanDerWaalsContact CZ-CE1 3.48Å; R445-H841 PolarHBondContact NH1-CE1 3.5Å; R445-H841 VanDerWaalsContact NH1-CE1 3.25Å; R445-H841 VanDerWaalsContact NH2-C 3.31Å; R445-H841 VanDerWaalsContact NH2-CA 3.34Å; R445-H841 PolarHBondContact NH2-CD2 3.03Å; R445-H841 PolarHBondContact NH2-CE1 3.14Å; R445-H841 PolarHBondContact NH2-ND1 3.34Å; R445-H841 PolarHBondContact NH2-NE2 2.94Å; R445-H841 PolarHBondContact NH2-O 2.88Å; V837-H841 VanDerWaalsContact O-CB 3.3Å; V837-H841 WeakPolarHBondContact O-CB 3.43Å; V837-H841 PolarHBondContact O-N 2.86Å; T838-H841 PolarHBondContact O-N 3.49Å; H841-R843 VanDerWaalsContact C-N 3.29Å; H841-R843 PolarHBondContact O-N 2.99Å; H841-F844 PolarHBondContact O-N 3.06Å; H841-A845 WeakPolarHBondContact O-CB 3.25Å; H841-A845 PolarHBondContact O-N 2.81Å; H841-K847 PolarHBondContact CD2-O 3.07Å; H841-L849 HydrophobicContact CB-CD1 3.27Å; H841-L849 HydrophobicContact CB-CG 4.34Å; H841-L849 VanDerWaalsContact CD2-CD1 3.49Å; H841-L849 WeakPolarHBondContact CD2-CD1 3.4Å |
| 842 | R | 86 | Confident | 86.2 | Confident | 177 Ų | 177 | 69.9 Ų | 69.9 | 67% | 0.668 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -56.8 | -42.5 | 177.1 | -167.4 | 175.4 | -177.3 | 176.9 | 0.3 | 112.1 | T838 L840 F844 K846 | T838-R842 WeakPolarHBondContact O-CB 3.41Å; T838-R842 PolarHBondContact O-N 3.48Å; L840-R842 VanDerWaalsContact C-N 3.34Å; L840-R842 PolarHBondContact O-N 3Å; R842-F844 VanDerWaalsContact C-N 3.3Å; R842-F844 PolarHBondContact O-N 3.03Å; R842-K846 PolarHBondContact O-N 2.72Å |
| 843 | R | 85.9 | Confident | 85.7 | Confident | 188 Ų | 188 | 71.4 Ų | 71.4 | 71% | 0.709 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62 | -34.5 | 177.3 | -168.6 | 175.8 | -177.1 | -179.6 | 1.1 | 113.1 | P839 L840 H841 | P839-R843 WeakPolarHBondContact O-CB 3.43Å; P839-R843 PolarHBondContact O-N 3.48Å; L840-R843 WeakPolarHBondContact O-CB 3.34Å; L840-R843 PolarHBondContact O-N 3.35Å; L840-R843 VanDerWaalsContact O-N 3.16Å; H841-R843 VanDerWaalsContact C-N 3.29Å; H841-R843 PolarHBondContact O-N 2.99Å |
| 844 | F | 85.9 | Confident | 85.2 | Confident | 40 Ų | 40 | 71.7 Ų | 71.7 | 18% | 0.175 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -101 | -27.8 | -175.5 | -65.7 | -62.5 | 0 | 0 | 0 | 115.5 | L443 K444 R445 L840 H841 R842 | L443-F844 HydrophobicContact CB-CE1 3.59Å; L443-F844 HydrophobicContact CB-CZ 3.96Å; L443-F844 HydrophobicContact CD2-CE1 4.28Å; L443-F844 HydrophobicContact CD2-CZ 3.76Å; L443-F844 HydrophobicContact CG-CZ 4.42Å; L443-F844 WeakPolarHBondContact O-CD1 3.46Å; L443-F844 WeakPolarHBondContact O-CE1 3.25Å; K444-F844 HydrophobicContact CB-CB 4.25Å; K444-F844 HydrophobicContact CB-CD1 3.79Å; K444-F844 HydrophobicContact CB-CD2 3.32Å; K444-F844 HydrophobicContact CB-CE1 3.94Å; K444-F844 HydrophobicContact CB-CE2 3.57Å; K444-F844 HydrophobicContact CB-CG 3.48Å; K444-F844 VanDerWaalsContact CB-CG 3.48Å; K444-F844 HydrophobicContact CB-CZ 3.83Å; K444-F844 HydrophobicContact CD-CD2 3.58Å; K444-F844 HydrophobicContact CD-CE2 3.19Å; K444-F844 HydrophobicContact CD-CZ 3.83Å; K444-F844 HydrophobicContact CG-CD2 3.77Å; K444-F844 HydrophobicContact CG-CE1 4.18Å; K444-F844 HydrophobicContact CG-CE2 3.46Å; K444-F844 VanDerWaalsContact CG-CE2 3.46Å; K444-F844 HydrophobicContact CG-CG 4.32Å; K444-F844 HydrophobicContact CG-CZ 3.64Å; K444-F844 WeakPolarHBondContact O-CB 3.3Å; R445-F844 HydrophobicContact CG-CB 4.37Å; R445-F844 PolarHBondContact NE-O 2.61Å; L840-F844 HydrophobicContact CG-CD2 4.34Å; L840-F844 HydrophobicContact CG-CE2 4.1Å; L840-F844 WeakPolarHBondContact O-CD2 3.45Å; L840-F844 PolarHBondContact O-N 3.21Å; H841-F844 PolarHBondContact O-N 3.06Å; R842-F844 VanDerWaalsContact C-N 3.3Å; R842-F844 PolarHBondContact O-N 3.03Å |
| 845 | A | 84.8 | Confident | 84.5 | Confident | 30 Ų | 30 | 70.4 Ų | 70.4 | 25% | 0.248 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -83.7 | -34.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R445 H841 K847 | R445-A845 VanDerWaalsContact NE-N 3.13Å; R445-A845 VanDerWaalsContact NH1-CB 3.27Å; H841-A845 WeakPolarHBondContact O-CB 3.25Å; H841-A845 PolarHBondContact O-N 2.81Å; A845-K847 HydrophobicContact CB-CB 3.97Å; A845-K847 VanDerWaalsContact CB-N 3.31Å; A845-K847 PolarHBondContact O-N 3.07Å |
| 846 | K | 82.4 | Confident | 84.1 | Confident | 188 Ų | 188 | 75.5 Ų | 75.5 | 82% | 0.817 | 39% | 0.392 | S | S | * | . | S | Bend | trans | 83.7 | -6.7 | -158.1 | 50.9 | 108.4 | 170.9 | -177.5 | 0 | 113.4 | R842 | R842-K846 PolarHBondContact O-N 2.72Š|
| 847 | K | 81.5 | Confident | 83.8 | Confident | 149 Ų | 149 | 74 Ų | 74 | 65% | 0.648 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -135.9 | 150.1 | -163.5 | -60.9 | -175.9 | 178.1 | -178.6 | 0 | 112.6 | H841 A845 | H841-K847 PolarHBondContact CD2-O 3.07Å; A845-K847 HydrophobicContact CB-CB 3.97Å; A845-K847 VanDerWaalsContact CB-N 3.31Å; A845-K847 PolarHBondContact O-N 3.07Å |
| 848 | P | 77.7 | Confident | 83.4 | Confident | 109 Ų | 109 | 72.4 Ų | 72.4 | 71% | 0.708 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 153.1 | 172.2 | 30.1 | -34.1 | 0 | 0 | 0 | 111.3 | S850 | P848-S850 PolarHBondContact O-N 3.21Š|
| 849 | L | 82.9 | Confident | 83.1 | Confident | 25 Ų | 25 | 73.4 Ų | 73.4 | 13% | 0.131 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 136.6 | 172.1 | -87.5 | 87.9 | 0 | 0 | 0 | 109.8 | L833 T838 H841 T853 V857 | L833-L849 HydrophobicContact CD1-CD2 4.5Å; T838-L849 HydrophobicContact CG2-CD1 4.4Å; H841-L849 HydrophobicContact CB-CD1 3.27Å; H841-L849 HydrophobicContact CB-CG 4.34Å; H841-L849 VanDerWaalsContact CD2-CD1 3.49Å; H841-L849 WeakPolarHBondContact CD2-CD1 3.4Å; L849-T853 HydrophobicContact CD2-CG2 4.36Å; L849-V857 HydrophobicContact CD2-CG2 4.46Å |
| 850 | S | 83.1 | Confident | 83.1 | Confident | 74 Ų | 74 | 73.9 Ų | 73.9 | 52% | 0.517 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 145.1 | 165.4 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | P848 A852 T853 S854 | P848-S850 PolarHBondContact O-N 3.21Å; S850-A852 PolarHBondContact O-N 3.19Å; S850-T853 PolarHBondContact O-N 3.43Å; S850-T853 VanDerWaalsContact O-N 3.11Å; S850-S854 WeakPolarHBondContact O-CB 3.23Å; S850-S854 PolarHBondContact O-N 3.06Å |
| 851 | S | 77.3 | Confident | 83.2 | Confident | 60 Ų | 60 | 72.3 Ų | 72.3 | 42% | 0.42 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -53.6 | -39.4 | 179.1 | -62.3 | 0 | 0 | 0 | 0 | 113 | A855 | S851-A855 WeakPolarHBondContact O-CB 3.21Å; S851-A855 PolarHBondContact O-N 3.27Å |
| 852 | A | 76.4 | Confident | 83 | Confident | 67 Ų | 67 | 70 Ų | 70 | 55% | 0.554 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -70.5 | -43.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S850 S854 A855 F856 | S850-A852 PolarHBondContact O-N 3.19Å; A852-S854 VanDerWaalsContact C-N 3.34Å; A852-S854 PolarHBondContact O-N 3.07Å; A852-A855 PolarHBondContact O-N 2.88Å; A852-F856 PolarHBondContact O-N 2.75Å |
| 853 | T | 82.4 | Confident | 83.1 | Confident | 67 Ų | 67 | 63.8 Ų | 63.8 | 41% | 0.411 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 176.1 | -48 | 0 | 0 | 0 | 0 | 111.2 | L849 S850 A855 F856 V857 | L849-T853 HydrophobicContact CD2-CG2 4.36Å; S850-T853 PolarHBondContact O-N 3.43Å; S850-T853 VanDerWaalsContact O-N 3.11Å; T853-A855 VanDerWaalsContact C-N 3.35Å; T853-F856 PolarHBondContact O-N 3.09Å; T853-V857 HydrophobicContact CG2-CG2 4.3Å; T853-V857 WeakPolarHBondContact O-CB 3.32Å; T853-V857 WeakPolarHBondContact O-CG2 3.43Å; T853-V857 PolarHBondContact O-N 3.38Å |
| 854 | S | 81.6 | Confident | 83.3 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 176.5 | -170.1 | 0 | 0 | 0 | 0 | 111.4 | S510 L833 S850 A852 V857 S858 | S510-S854 WeakPolarHBondContact CB-OG 3.42Å; S510-S854 PolarHBondContact OG-OG 3.43Å; L833-S854 WeakPolarHBondContact CD2-OG 3.46Å; S850-S854 WeakPolarHBondContact O-CB 3.23Å; S850-S854 PolarHBondContact O-N 3.06Å; A852-S854 VanDerWaalsContact C-N 3.34Å; A852-S854 PolarHBondContact O-N 3.07Å; S854-V857 PolarHBondContact O-N 3.19Å; S854-S858 WeakPolarHBondContact O-CB 3.45Å; S854-S858 PolarHBondContact O-N 3.39Å |
| 855 | A | 77.5 | Confident | 83.5 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.7 | -47.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | V513 S851 A852 T853 V857 S858 K859 | V513-A855 HydrophobicContact CG2-CB 4.11Å; S851-A855 WeakPolarHBondContact O-CB 3.21Å; S851-A855 PolarHBondContact O-N 3.27Å; A852-A855 PolarHBondContact O-N 2.88Å; T853-A855 VanDerWaalsContact C-N 3.35Å; A855-V857 PolarHBondContact O-N 3.03Å; A855-S858 PolarHBondContact O-N 2.69Å; A855-S858 PolarHBondContact O-OG 3.26Å; A855-K859 PolarHBondContact O-N 3.49Å |
| 856 | F | 83.3 | Confident | 83.6 | Confident | 112 Ų | 112 | 55.1 Ų | 55.1 | 49% | 0.491 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 177.3 | -179.4 | -100.9 | 0 | 0 | 0 | 112.2 | A852 T853 S858 K859 C860 | A852-F856 PolarHBondContact O-N 2.75Å; T853-F856 PolarHBondContact O-N 3.09Å; F856-S858 VanDerWaalsContact C-N 3.28Å; F856-S858 PolarHBondContact O-N 2.89Å; F856-K859 PolarHBondContact O-N 3.08Å; F856-K859 VanDerWaalsContact O-N 3.14Å; F856-C860 VanDerWaalsContact CE1-SG 3.57Å; F856-C860 PolarHBondContact O-N 2.93Å; F856-C860 PolarHBondContact O-SG 3.22Å |
| 857 | V | 86.9 | Confident | 83.9 | Confident | 33 Ų | 33 | 49.4 Ų | 49.4 | 20% | 0.2 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | L833 V837 L849 T853 S854 A855 K859 C860 L861 | L833-V857 HydrophobicContact CD1-CB 4.17Å; L833-V857 HydrophobicContact CD1-CG1 3.73Å; V837-V857 HydrophobicContact CG1-CG1 3.97Å; L849-V857 HydrophobicContact CD2-CG2 4.46Å; T853-V857 HydrophobicContact CG2-CG2 4.3Å; T853-V857 WeakPolarHBondContact O-CB 3.32Å; T853-V857 WeakPolarHBondContact O-CG2 3.43Å; T853-V857 PolarHBondContact O-N 3.38Å; S854-V857 PolarHBondContact O-N 3.19Å; A855-V857 PolarHBondContact O-N 3.03Å; V857-K859 VanDerWaalsContact C-N 3.32Å; V857-K859 PolarHBondContact O-N 3.12Å; V857-C860 PolarHBondContact O-N 3.08Å; V857-L861 HydrophobicContact CG1-CD1 3.99Å; V857-L861 HydrophobicContact CG1-CG 4.26Å; V857-L861 WeakPolarHBondContact O-CB 3.23Å; V857-L861 VanDerWaalsContact O-CG 3.31Å; V857-L861 WeakPolarHBondContact O-CG 3.41Å; V857-L861 PolarHBondContact O-N 3.44Å |
| 858 | S | 83.6 | Confident | 84.2 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 176.7 | 78.9 | 0 | 0 | 0 | 0 | 112.5 | S854 A855 F856 L861 A862 | S854-S858 WeakPolarHBondContact O-CB 3.45Å; S854-S858 PolarHBondContact O-N 3.39Å; A855-S858 PolarHBondContact O-N 2.69Å; A855-S858 PolarHBondContact O-OG 3.26Å; F856-S858 VanDerWaalsContact C-N 3.28Å; F856-S858 PolarHBondContact O-N 2.89Å; S858-L861 PolarHBondContact O-N 2.93Å; S858-A862 PolarHBondContact O-N 3.29Å |
| 859 | K | 82.7 | Confident | 84.9 | Confident | 53 Ų | 53 | 39 Ų | 39 | 23% | 0.23 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.9 | -45.1 | 175.5 | -66.4 | -175.2 | 177.6 | -171.9 | 0 | 110.9 | T646 A855 F856 V857 L861 A862 C863 | T646-K859 HydrophobicContact CG2-CB 3.92Å; T646-K859 WeakPolarHBondContact CG2-O 3.37Å; T646-K859 WeakPolarHBondContact O-CD 3.33Å; T646-K859 WeakPolarHBondContact O-CG 3.33Å; A855-K859 PolarHBondContact O-N 3.49Å; F856-K859 PolarHBondContact O-N 3.08Å; F856-K859 VanDerWaalsContact O-N 3.14Å; V857-K859 VanDerWaalsContact C-N 3.32Å; V857-K859 PolarHBondContact O-N 3.12Å; K859-L861 VanDerWaalsContact C-N 3.31Å; K859-L861 PolarHBondContact O-N 3.11Å; K859-A862 PolarHBondContact O-N 2.9Å; K859-C863 PolarHBondContact O-N 3.24Å |
| 860 | C | 87.3 | Confident | 85.1 | Confident | 43 Ų | 43 | 38.5 Ų | 38.5 | 29% | 0.291 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.9 | -39.3 | 174.9 | -64.1 | 0 | 0 | 0 | 0 | 112.6 | F856 V857 T864 | F856-C860 VanDerWaalsContact CE1-SG 3.57Å; F856-C860 PolarHBondContact O-N 2.93Å; F856-C860 PolarHBondContact O-SG 3.22Å; V857-C860 PolarHBondContact O-N 3.08Å; C860-T864 WeakPolarHBondContact O-CB 3.4Å; C860-T864 PolarHBondContact O-N 2.79Å; C860-T864 PolarHBondContact O-OG1 3.01Å |
| 861 | L | 89.5 | Confident | 85.2 | Confident | 29 Ų | 29 | 36 Ų | 36 | 15% | 0.152 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.6 | -44.7 | 175.9 | -74.1 | 171.2 | 0 | 0 | 0 | 111.4 | A829 L832 L833 V837 V857 S858 K859 C863 T864 C865 | A829-L861 HydrophobicContact CB-CB 4.11Å; L832-L861 HydrophobicContact CB-CD1 4.06Å; L832-L861 HydrophobicContact CB-CD2 4.22Å; L832-L861 HydrophobicContact CD1-CD2 4.42Å; L833-L861 HydrophobicContact CB-CD1 3.86Å; L833-L861 HydrophobicContact CD1-CD1 4.39Å; V837-L861 HydrophobicContact CG2-CD1 4.05Å; V837-L861 HydrophobicContact CG2-CD2 4.38Å; V857-L861 HydrophobicContact CG1-CD1 3.99Å; V857-L861 HydrophobicContact CG1-CG 4.26Å; V857-L861 WeakPolarHBondContact O-CB 3.23Å; V857-L861 VanDerWaalsContact O-CG 3.31Å; V857-L861 WeakPolarHBondContact O-CG 3.41Å; V857-L861 PolarHBondContact O-N 3.44Å; S858-L861 PolarHBondContact O-N 2.93Å; K859-L861 VanDerWaalsContact C-N 3.31Å; K859-L861 PolarHBondContact O-N 3.11Å; L861-C863 VanDerWaalsContact C-N 3.35Å; L861-C863 PolarHBondContact O-N 2.91Å; L861-T864 PolarHBondContact O-N 3.36Å; L861-C865 WeakPolarHBondContact O-CB 3.44Å; L861-C865 PolarHBondContact O-N 3.37Å; L861-C865 PolarHBondContact O-SG 3Å |
| 862 | A | 85.2 | Confident | 85.6 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.7 | -46.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A829 S858 K859 C865 G866 | A829-A862 HydrophobicContact CB-CB 3.95Å; S858-A862 PolarHBondContact O-N 3.29Å; K859-A862 PolarHBondContact O-N 2.9Å; A862-C865 PolarHBondContact O-N 3.4Å; A862-G866 PolarHBondContact O-N 2.9Å |
| 863 | C | 87.8 | Confident | 86 | Confident | 45 Ų | 45 | 33 Ų | 33 | 30% | 0.304 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 175.6 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | T642 T646 K859 L861 C865 G866 L867 | T642-C863 HydrophobicContact CG2-CB 4.4Å; T646-C863 HydrophobicContact CG2-CB 4.08Å; K859-C863 PolarHBondContact O-N 3.24Å; L861-C863 VanDerWaalsContact C-N 3.35Å; L861-C863 PolarHBondContact O-N 2.91Å; C863-C865 VanDerWaalsContact C-N 3.34Å; C863-C865 PolarHBondContact O-N 3.26Å; C863-G866 PolarHBondContact O-N 3.14Å; C863-L867 WeakPolarHBondContact O-CG 3.44Å; C863-L867 PolarHBondContact O-N 3.43Å |
| 864 | T | 89 | Confident | 86 | Confident | 74 Ų | 74 | 32.4 Ų | 32.4 | 45% | 0.454 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 178.7 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | C860 L861 L867 V868 | C860-T864 WeakPolarHBondContact O-CB 3.4Å; C860-T864 PolarHBondContact O-N 2.79Å; C860-T864 PolarHBondContact O-OG1 3.01Å; L861-T864 PolarHBondContact O-N 3.36Å; T864-L867 PolarHBondContact O-N 3.34Å; T864-V868 WeakPolarHBondContact O-CG2 3.45Å; T864-V868 PolarHBondContact O-N 3.47Å |
| 865 | C | 90.3 | Very high | 85.8 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.02 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 177.1 | -66.2 | 0 | 0 | 0 | 0 | 111.4 | F608 L828 L832 L861 A862 C863 L867 V868 I869 | F608-C865 HydrophobicContact CE1-CB 4.1Å; F608-C865 HydrophobicContact CZ-CB 4.47Å; L828-C865 HydrophobicContact CB-CB 4.28Å; L828-C865 HydrophobicContact CD1-CB 4.13Å; L832-C865 WeakPolarHBondContact CD1-SG 3.41Å; L861-C865 WeakPolarHBondContact O-CB 3.44Å; L861-C865 PolarHBondContact O-N 3.37Å; L861-C865 PolarHBondContact O-SG 3Å; A862-C865 PolarHBondContact O-N 3.4Å; C863-C865 VanDerWaalsContact C-N 3.34Å; C863-C865 PolarHBondContact O-N 3.26Å; C865-L867 VanDerWaalsContact C-N 3.34Å; C865-L867 PolarHBondContact O-N 2.88Å; C865-V868 PolarHBondContact O-N 3.39Å; C865-I869 WeakPolarHBondContact O-CB 3.33Å; C865-I869 WeakPolarHBondContact O-CD1 3.33Å; C865-I869 VanDerWaalsContact O-CG1 3.24Å; C865-I869 WeakPolarHBondContact O-CG1 3.47Å; C865-I869 PolarHBondContact O-N 2.88Å |
| 866 | G | 87.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.1 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T642 A862 C863 I869 L870 | T642-G866 WeakPolarHBondContact OG1-CA 3.45Å; A862-G866 PolarHBondContact O-N 2.9Å; C863-G866 PolarHBondContact O-N 3.14Å; G866-I869 PolarHBondContact O-N 2.86Å; G866-L870 WeakPolarHBondContact O-CB 3.32Å; G866-L870 PolarHBondContact O-N 3.02Å |
| 867 | L | 88.1 | Confident | 85.1 | Confident | 68 Ų | 68 | 30.6 Ų | 30.6 | 36% | 0.356 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.5 | -40.6 | 175 | -67.3 | 176.2 | 0 | 0 | 0 | 112.7 | F29 L639 C863 T864 C865 L870 G871 | F29-L867 VanDerWaalsContact CZ-O 3.26Å; F29-L867 WeakPolarHBondContact CZ-O 3.16Å; L639-L867 HydrophobicContact CD2-CD2 4.29Å; C863-L867 WeakPolarHBondContact O-CG 3.44Å; C863-L867 PolarHBondContact O-N 3.43Å; T864-L867 PolarHBondContact O-N 3.34Å; C865-L867 VanDerWaalsContact C-N 3.34Å; C865-L867 PolarHBondContact O-N 2.88Å; L867-L870 PolarHBondContact O-N 3.19Å; L867-G871 PolarHBondContact O-N 2.86Å |
| 868 | V | 89.6 | Confident | 84.4 | Confident | 40 Ų | 40 | 34.3 Ų | 34.3 | 24% | 0.242 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.8 | -45 | 175.5 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | L33 F608 T864 C865 L870 G871 L872 | L33-V868 HydrophobicContact CD1-CG2 4.31Å; F608-V868 HydrophobicContact CD1-CB 4.4Å; F608-V868 HydrophobicContact CD1-CG1 3.75Å; F608-V868 HydrophobicContact CE1-CB 3.97Å; F608-V868 HydrophobicContact CE1-CG1 3.69Å; F608-V868 HydrophobicContact CZ-CG1 4.39Å; T864-V868 WeakPolarHBondContact O-CG2 3.45Å; T864-V868 PolarHBondContact O-N 3.47Å; C865-V868 PolarHBondContact O-N 3.39Å; V868-L870 VanDerWaalsContact C-N 3.34Å; V868-G871 PolarHBondContact O-N 3.37Å; V868-L872 HydrophobicContact CG1-CD1 4.1Å; V868-L872 WeakPolarHBondContact O-CG 3.43Å; V868-L872 PolarHBondContact O-N 3.4Å |
| 869 | I | 90.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | 177.3 | -72.9 | 165.2 | 0 | 0 | 0 | 110.9 | F608 I611 S612 L615 F825 L828 C865 G866 G871 L872 A873 | F608-I869 HydrophobicContact CD1-CD1 4.24Å; F608-I869 HydrophobicContact CD1-CG1 3.77Å; F608-I869 HydrophobicContact CE1-CD1 4.49Å; F608-I869 HydrophobicContact CE1-CG1 4.26Å; I611-I869 HydrophobicContact CB-CD1 3.89Å; I611-I869 HydrophobicContact CB-CG1 4.47Å; I611-I869 HydrophobicContact CB-CG2 4.33Å; I611-I869 HydrophobicContact CG2-CD1 3.8Å; I611-I869 HydrophobicContact CG2-CG2 3.93Å; S612-I869 PolarHBondContact OG-O 3.41Å; L615-I869 HydrophobicContact CB-CG2 4.5Å; L615-I869 HydrophobicContact CD2-CG2 4.19Å; F825-I869 HydrophobicContact CD1-CD1 3.56Å; F825-I869 HydrophobicContact CE1-CB 4.13Å; F825-I869 HydrophobicContact CE1-CD1 3.38Å; F825-I869 HydrophobicContact CE1-CG1 4.32Å; F825-I869 HydrophobicContact CE1-CG2 4.04Å; L828-I869 HydrophobicContact CD1-CD1 3.71Å; C865-I869 WeakPolarHBondContact O-CB 3.33Å; C865-I869 WeakPolarHBondContact O-CD1 3.33Å; C865-I869 VanDerWaalsContact O-CG1 3.24Å; C865-I869 WeakPolarHBondContact O-CG1 3.47Å; C865-I869 PolarHBondContact O-N 2.88Å; G866-I869 PolarHBondContact O-N 2.86Å; I869-G871 VanDerWaalsContact C-N 3.31Å; I869-G871 PolarHBondContact O-N 3.47Å; I869-L872 CarbonylContact O-C 3.43Å; I869-L872 PolarHBondContact O-N 2.89Å; I869-A873 WeakPolarHBondContact O-CB 3.37Å; I869-A873 PolarHBondContact O-N 3Å |
| 870 | L | 88.4 | Confident | 82.7 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.5 | -43.5 | 173.6 | 171.7 | 59.2 | 0 | 0 | 0 | 111.6 | L615 T634 L635 L639 G866 L867 V868 L872 A873 F874 | L615-L870 HydrophobicContact CD2-CB 4.22Å; L615-L870 HydrophobicContact CD2-CD1 4.16Å; T634-L870 HydrophobicContact CG2-CD1 4.12Å; L635-L870 HydrophobicContact CD1-CD2 4.11Å; L639-L870 HydrophobicContact CD2-CD2 3.99Å; L639-L870 HydrophobicContact CG-CD2 4.14Å; G866-L870 WeakPolarHBondContact O-CB 3.32Å; G866-L870 PolarHBondContact O-N 3.02Å; L867-L870 PolarHBondContact O-N 3.19Å; V868-L870 VanDerWaalsContact C-N 3.34Å; L870-L872 PolarHBondContact O-N 3.24Å; L870-A873 PolarHBondContact O-N 3.39Å; L870-F874 HydrophobicContact CD1-CE2 3.94Å; L870-F874 HydrophobicContact CD1-CZ 4.24Å; L870-F874 HydrophobicContact CG-CE2 4.32Å; L870-F874 WeakPolarHBondContact O-CD2 3.11Å |
| 871 | G | 84 | Confident | 81.7 | Confident | 21 Ų | 21 | 44.1 Ų | 44.1 | 22% | 0.216 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L867 V868 I869 | L867-G871 PolarHBondContact O-N 2.86Å; V868-G871 PolarHBondContact O-N 3.37Å; I869-G871 VanDerWaalsContact C-N 3.31Å; I869-G871 PolarHBondContact O-N 3.47Å |
| 872 | L | 86.1 | Confident | 81.1 | Confident | 65 Ų | 65 | 43.4 Ų | 43.4 | 34% | 0.34 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.7 | -29.7 | 178.6 | -72.2 | 175.3 | 0 | 0 | 0 | 113.2 | F608 S612 V868 I869 L870 F874 A875 V876 | F608-L872 HydrophobicContact CB-CD1 3.89Å; S612-L872 WeakPolarHBondContact OG-CB 3.27Å; V868-L872 HydrophobicContact CG1-CD1 4.1Å; V868-L872 WeakPolarHBondContact O-CG 3.43Å; V868-L872 PolarHBondContact O-N 3.4Å; I869-L872 CarbonylContact O-C 3.43Å; I869-L872 PolarHBondContact O-N 2.89Å; L870-L872 PolarHBondContact O-N 3.24Å; L872-F874 PolarHBondContact O-N 3.49Å; L872-A875 VanDerWaalsContact O-CB 3.28Å; L872-A875 WeakPolarHBondContact O-CB 3.33Å; L872-A875 PolarHBondContact O-N 2.91Å; L872-V876 PolarHBondContact O-N 2.78Å |
| 873 | A | 85.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.4 | -31.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L615 T634 I869 L870 A875 V876 | L615-A873 HydrophobicContact CB-CB 3.99Å; L615-A873 HydrophobicContact CD2-CB 3.72Å; L615-A873 HydrophobicContact CG-CB 3.93Å; T634-A873 HydrophobicContact CG2-CB 3.9Å; I869-A873 WeakPolarHBondContact O-CB 3.37Å; I869-A873 PolarHBondContact O-N 3Å; L870-A873 PolarHBondContact O-N 3.39Å; A873-A875 PolarHBondContact O-N 3.06Å; A873-V876 WeakPolarHBondContact O-CB 3.42Å; A873-V876 PolarHBondContact O-N 2.96Å |
| 874 | F | 82.3 | Confident | 80.7 | Confident | 54 Ų | 54 | 41.5 Ų | 41.5 | 24% | 0.237 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -26.5 | 172.2 | -68.9 | -65.3 | 0 | 0 | 0 | 113 | T631 T634 L635 L870 L872 H878 | T631-F874 HydrophobicContact CG2-CD1 4.26Å; T631-F874 HydrophobicContact CG2-CE1 3.56Å; T631-F874 HydrophobicContact CG2-CZ 4.31Å; T634-F874 HydrophobicContact CG2-CD1 4.38Å; T634-F874 HydrophobicContact CG2-CE1 4.05Å; T634-F874 HydrophobicContact CG2-CZ 4.24Å; L635-F874 HydrophobicContact CB-CZ 4.46Å; L870-F874 HydrophobicContact CD1-CE2 3.94Å; L870-F874 HydrophobicContact CD1-CZ 4.24Å; L870-F874 HydrophobicContact CG-CE2 4.32Å; L870-F874 WeakPolarHBondContact O-CD2 3.11Å; L872-F874 PolarHBondContact O-N 3.49Å; F874-H878 PolarHBondContact O-ND1 3.25Å |
| 875 | A | 77.2 | Confident | 80.4 | Confident | 53 Ų | 53 | 39.9 Ų | 39.9 | 44% | 0.438 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -74.2 | -31.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L872 A873 G877 H878 | L872-A875 VanDerWaalsContact O-CB 3.28Å; L872-A875 WeakPolarHBondContact O-CB 3.33Å; L872-A875 PolarHBondContact O-N 2.91Å; A873-A875 PolarHBondContact O-N 3.06Å; A875-G877 PolarHBondContact O-N 3.3Å; A875-H878 PolarHBondContact O-N 3.33Å; A875-H878 VanDerWaalsContact O-N 3.13Å |
| 876 | V | 77.7 | Confident | 80.1 | Confident | 15 Ų | 15 | 41.1 Ų | 41.1 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.3 | -34.4 | -179.8 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | V613 Y616 L872 A873 H878 V879 | V613-V876 HydrophobicContact CB-CG1 4.44Å; V613-V876 HydrophobicContact CG1-CG1 4.45Å; V613-V876 HydrophobicContact CG2-CG1 4.11Å; V613-V876 HydrophobicContact CG2-CG2 3.89Å; Y616-V876 HydrophobicContact CD1-CG1 3.91Å; Y616-V876 HydrophobicContact CD2-CB 4.36Å; Y616-V876 HydrophobicContact CD2-CG1 4.48Å; Y616-V876 HydrophobicContact CG-CB 4.09Å; Y616-V876 HydrophobicContact CG-CG1 3.81Å; L872-V876 PolarHBondContact O-N 2.78Å; A873-V876 WeakPolarHBondContact O-CB 3.42Å; A873-V876 PolarHBondContact O-N 2.96Å; V876-H878 PolarHBondContact O-N 3.27Å; V876-V879 PolarHBondContact O-N 3.05Å |
| 877 | G | 68.6 | Low | 80 | Confident | 25 Ų | 25 | 41.4 Ų | 41.4 | 26% | 0.258 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -23.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K786 A875 | K786-G877 PolarHBondContact NZ-O 2.84Å; A875-G877 PolarHBondContact O-N 3.3Å |
| 878 | H | 71.5 | Confident | 79.9 | Confident | 112 Ų | 112 | 40 Ų | 40 | 52% | 0.519 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -7.9 | -179 | -62.3 | 82 | 0 | 0 | 0 | 113.6 | F874 A875 V876 | F874-H878 PolarHBondContact O-ND1 3.25Å; A875-H878 PolarHBondContact O-N 3.33Å; A875-H878 VanDerWaalsContact O-N 3.13Å; V876-H878 PolarHBondContact O-N 3.27Å |
| 879 | V | 67.8 | Low | 79.7 | Confident | 54 Ų | 54 | 40.7 Ų | 40.7 | 33% | 0.327 | 23% | 0.232 | S | C | . | . | trans | -84.4 | 128.7 | 178.7 | -171.5 | 0 | 0 | 0 | 0 | 109.7 | V876 S881 I886 | V876-V879 PolarHBondContact O-N 3.05Å; V879-S881 VanDerWaalsContact C-N 3.32Å; V879-S881 PolarHBondContact O-N 3.43Å; V879-I886 HydrophobicContact CB-CD1 4.02Å; V879-I886 HydrophobicContact CG1-CD1 3.59Å; V879-I886 HydrophobicContact CG1-CG1 4.31Å | ||
| 880 | Q | 63 | Low | 79.6 | Confident | 202 Ų | 202 | 41.7 Ų | 41.7 | 94% | 0.944 | 24% | 0.237 | S | C | * | . | trans | -88.7 | 19.1 | -175.6 | -68.6 | -173.9 | -21 | 0 | 0 | 114.3 | ||||
| 881 | S | 67.2 | Low | 79.6 | Confident | 48 Ų | 48 | 41.2 Ų | 41.2 | 34% | 0.336 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -105 | 156.6 | -179.9 | -55 | 0 | 0 | 0 | 0 | 112 | V879 | V879-S881 VanDerWaalsContact C-N 3.32Å; V879-S881 PolarHBondContact O-N 3.43Å |
| 882 | N | 75.2 | Confident | 79.7 | Confident | 14 Ų | 14 | 41.7 Ų | 41.7 | 8% | 0.075 | 24% | 0.24 | C | C | . | . | trans | -57.8 | 135.6 | 170.5 | -178.6 | -21.1 | 0 | 0 | 0 | 109.4 | E545 V787 D788 I884 Q885 I886 | E545-N882 PolarHBondContact OE2-ND2 3.07Å; V787-N882 HydrophobicContact CG2-CB 3.86Å; D788-N882 PolarHBondContact OD1-OD1 3.1Å; N882-I884 VanDerWaalsContact C-N 3.26Å; N882-I884 PolarHBondContact O-N 3.47Å; N882-I884 WeakPolarHBondContact OD1-CG2 3.21Å; N882-I884 PolarHBondContact OD1-N 2.96Å; N882-I884 VanDerWaalsContact OD1-N 3.13Å; N882-Q885 PolarHBondContact O-N 2.99Å; N882-Q885 VanDerWaalsContact O-N 3.17Å; N882-I886 PolarHBondContact O-N 3.1Å | ||
| 883 | I | 80.6 | Confident | 79.8 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.3 | -37.4 | -173.7 | -58.3 | 173.1 | 0 | 0 | 0 | 111 | V537 V613 Y616 A617 L620 D788 I886 A887 | V537-I883 HydrophobicContact CB-CG2 3.97Å; V537-I883 HydrophobicContact CG1-CB 4.25Å; V537-I883 HydrophobicContact CG1-CG2 3.55Å; V537-I883 HydrophobicContact CG2-CG2 3.63Å; V613-I883 HydrophobicContact CG1-CG2 3.56Å; Y616-I883 HydrophobicContact CD1-CD1 4.14Å; Y616-I883 HydrophobicContact CE1-CD1 4.26Å; A617-I883 HydrophobicContact CB-CD1 4.32Å; A617-I883 HydrophobicContact CB-CG2 4.34Å; L620-I883 HydrophobicContact CD2-CD1 3.83Å; D788-I883 HydrophobicContact CB-CD1 3.93Å; D788-I883 HydrophobicContact CB-CG1 4.35Å; D788-I883 WeakPolarHBondContact OD1-CG1 3.3Å; D788-I883 PolarHBondContact OD1-N 3.11Å; D788-I883 VanDerWaalsContact OD1-N 3.15Å; I883-I886 PolarHBondContact O-N 3.06Å; I883-A887 PolarHBondContact O-N 3.14Å |
| 884 | I | 83.8 | Confident | 79.9 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -39.2 | 179.7 | -162.3 | 168.6 | 0 | 0 | 0 | 112.7 | V537 Y542 N882 I886 A887 L888 | V537-I884 HydrophobicContact CG1-CB 4.2Å; V537-I884 HydrophobicContact CG1-CG1 4.49Å; Y542-I884 HydrophobicContact CD1-CD1 3.64Å; Y542-I884 HydrophobicContact CD2-CD1 3.94Å; Y542-I884 HydrophobicContact CE1-CD1 3.62Å; Y542-I884 HydrophobicContact CE2-CD1 3.94Å; Y542-I884 HydrophobicContact CG-CD1 3.79Å; N882-I884 VanDerWaalsContact C-N 3.26Å; N882-I884 PolarHBondContact O-N 3.47Å; N882-I884 WeakPolarHBondContact OD1-CG2 3.21Å; N882-I884 PolarHBondContact OD1-N 2.96Å; N882-I884 VanDerWaalsContact OD1-N 3.13Å; I884-I886 VanDerWaalsContact C-N 3.34Å; I884-I886 PolarHBondContact O-N 3Å; I884-A887 PolarHBondContact O-N 2.93Å; I884-L888 HydrophobicContact CG1-CD1 4.09Å; I884-L888 HydrophobicContact CG1-CG 4.31Å; I884-L888 WeakPolarHBondContact O-CG 3.41Å; I884-L888 PolarHBondContact O-N 3.03Å |
| 885 | Q | 83.9 | Confident | 80.2 | Confident | 39 Ų | 39 | 37 Ų | 37 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64 | -43.1 | 177.4 | -179.3 | 180 | -23.1 | 0 | 0 | 110.4 | R707 N882 S889 | R707-Q885 VanDerWaalsContact NH1-CD 3.3Å; R707-Q885 VanDerWaalsContact NH2-OE1 3.13Å; N882-Q885 PolarHBondContact O-N 2.99Å; N882-Q885 VanDerWaalsContact O-N 3.17Å; Q885-S889 WeakPolarHBondContact O-CB 3.49Å; Q885-S889 PolarHBondContact O-N 3.22Å; Q885-S889 PolarHBondContact O-OG 3.15Å |
| 886 | I | 82.9 | Confident | 80.8 | Confident | 30 Ų | 30 | 36.1 Ų | 36.1 | 15% | 0.154 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.2 | -49 | 177 | -60.2 | 169.3 | 0 | 0 | 0 | 109.7 | V613 V879 N882 I883 I884 S889 I890 | V613-I886 HydrophobicContact CG1-CG2 4.38Å; V613-I886 HydrophobicContact CG2-CG2 3.75Å; V879-I886 HydrophobicContact CB-CD1 4.02Å; V879-I886 HydrophobicContact CG1-CD1 3.59Å; V879-I886 HydrophobicContact CG1-CG1 4.31Å; N882-I886 PolarHBondContact O-N 3.1Å; I883-I886 PolarHBondContact O-N 3.06Å; I884-I886 VanDerWaalsContact C-N 3.34Å; I884-I886 PolarHBondContact O-N 3Å; I886-S889 PolarHBondContact O-N 3.1Å; I886-I890 HydrophobicContact CG2-CD1 4.02Å; I886-I890 WeakPolarHBondContact O-CG1 3.25Å; I886-I890 PolarHBondContact O-N 2.74Å |
| 887 | A | 85.7 | Confident | 81.5 | Confident | 5 Ų | 5 | 36 Ų | 36 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.1 | -50.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V537 Y610 I883 I884 S889 I890 F891 | V537-A887 HydrophobicContact CG1-CB 3.74Å; Y610-A887 HydrophobicContact CD2-CB 4.14Å; Y610-A887 HydrophobicContact CE2-CB 3.95Å; I883-A887 PolarHBondContact O-N 3.14Å; I884-A887 PolarHBondContact O-N 2.93Å; A887-S889 VanDerWaalsContact C-N 3.29Å; A887-S889 PolarHBondContact O-N 2.88Å; A887-I890 PolarHBondContact O-N 2.96Å; A887-F891 WeakPolarHBondContact O-CD2 3.48Å; A887-F891 PolarHBondContact O-N 3.05Å |
| 888 | L | 85.7 | Confident | 82.7 | Confident | 39 Ų | 39 | 34.8 Ų | 34.8 | 20% | 0.204 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.8 | -35.3 | 178.6 | -67.4 | 178.1 | 0 | 0 | 0 | 111.9 | T720 I884 I890 F891 G892 | T720-L888 HydrophobicContact CG2-CD2 4.21Å; I884-L888 HydrophobicContact CG1-CD1 4.09Å; I884-L888 HydrophobicContact CG1-CG 4.31Å; I884-L888 WeakPolarHBondContact O-CG 3.41Å; I884-L888 PolarHBondContact O-N 3.03Å; L888-I890 PolarHBondContact O-N 3.49Å; L888-F891 PolarHBondContact O-N 3.13Å; L888-G892 PolarHBondContact O-N 3.33Å |
| 889 | S | 85.9 | Confident | 83.7 | Confident | 55 Ų | 55 | 29.8 Ų | 29.8 | 39% | 0.385 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.4 | -37.2 | 176 | -59.6 | 0 | 0 | 0 | 0 | 112 | Q885 I886 A887 G892 T893 | Q885-S889 WeakPolarHBondContact O-CB 3.49Å; Q885-S889 PolarHBondContact O-N 3.22Å; Q885-S889 PolarHBondContact O-OG 3.15Å; I886-S889 PolarHBondContact O-N 3.1Å; A887-S889 VanDerWaalsContact C-N 3.29Å; A887-S889 PolarHBondContact O-N 2.88Å; S889-G892 PolarHBondContact O-N 2.88Å; S889-T893 WeakPolarHBondContact O-CB 3.42Å; S889-T893 PolarHBondContact O-N 3.28Å; S889-T893 PolarHBondContact O-OG1 3.06Å |
| 890 | I | 88.4 | Confident | 85 | Confident | 20 Ų | 20 | 28.9 Ų | 28.9 | 10% | 0.103 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 176.1 | -69.8 | 162.8 | 0 | 0 | 0 | 110.5 | E606 L609 V613 I886 A887 L888 T893 V894 | E606-I890 HydrophobicContact CG-CG2 3.77Å; L609-I890 HydrophobicContact CB-CD1 3.95Å; L609-I890 HydrophobicContact CB-CG1 4.42Å; L609-I890 HydrophobicContact CB-CG2 4.34Å; V613-I890 HydrophobicContact CG2-CD1 4Å; I886-I890 HydrophobicContact CG2-CD1 4.02Å; I886-I890 WeakPolarHBondContact O-CG1 3.25Å; I886-I890 PolarHBondContact O-N 2.74Å; A887-I890 PolarHBondContact O-N 2.96Å; L888-I890 PolarHBondContact O-N 3.49Å; I890-T893 PolarHBondContact O-N 3.3Å; I890-V894 PolarHBondContact O-N 3.48Å |
| 891 | F | 87.6 | Confident | 86.5 | Confident | 3 Ų | 3 | 19.3 Ų | 19.3 | 1% | 0.013 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -62.4 | -43.7 | 176 | -76.4 | -66.8 | 0 | 0 | 0 | 112.5 | Y533 E606 M607 Y610 T720 Q724 M730 A887 L888 G895 G896 | Y533-F891 HydrophobicContact CE1-CZ 4.37Å; E606-F891 WeakPolarHBondContact OE1-CD1 3.28Å; E606-F891 WeakPolarHBondContact OE1-CE1 3.49Å; M607-F891 HydrophobicContact CE-CE1 4.18Å; Y610-F891 HydrophobicContact CD1-CE2 4.27Å; Y610-F891 AromaticContact CD1-CZ 3.84Å; Y610-F891 HydrophobicContact CD1-CZ 3.84Å; Y610-F891 HydrophobicContact CD2-CD2 4.47Å; Y610-F891 AromaticContact CD2-CE2 3.68Å; Y610-F891 HydrophobicContact CD2-CE2 3.68Å; Y610-F891 HydrophobicContact CD2-CZ 4.09Å; Y610-F891 HydrophobicContact CE1-CE2 4.11Å; Y610-F891 AromaticContact CE1-CZ 3.75Å; Y610-F891 HydrophobicContact CE1-CZ 3.75Å; Y610-F891 HydrophobicContact CE2-CD2 4.49Å; Y610-F891 AromaticContact CE2-CE2 3.49Å; Y610-F891 HydrophobicContact CE2-CE2 3.49Å; Y610-F891 VanDerWaalsContact CE2-CE2 3.49Å; Y610-F891 HydrophobicContact CE2-CZ 4.01Å; Y610-F891 HydrophobicContact CG-CE2 4.07Å; Y610-F891 HydrophobicContact CG-CZ 4.01Å; Y610-F891 AromaticContact CZ-CE2 3.71Å; Y610-F891 AromaticContact CZ-CZ 3.83Å; T720-F891 HydrophobicContact CG2-CB 4.14Å; Q724-F891 HydrophobicContact CG-CD1 3.81Å; Q724-F891 HydrophobicContact CG-CD2 4.42Å; Q724-F891 HydrophobicContact CG-CE1 3.78Å; Q724-F891 HydrophobicContact CG-CE2 4.38Å; Q724-F891 HydrophobicContact CG-CG 4.15Å; Q724-F891 HydrophobicContact CG-CZ 4.07Å; Q724-F891 VanDerWaalsContact NE2-CD2 3.35Å; M730-F891 HydrophobicContact CE-CZ 4.42Å; A887-F891 WeakPolarHBondContact O-CD2 3.48Å; A887-F891 PolarHBondContact O-N 3.05Å; L888-F891 PolarHBondContact O-N 3.13Å; F891-G895 CarbonylContact O-C 3.54Å; F891-G895 WeakPolarHBondContact O-CA 3.35Å; F891-G895 PolarHBondContact O-N 2.89Å; F891-G896 PolarHBondContact O-N 2.92Å; F891-G896 VanDerWaalsContact O-N 3.15Å |
| 892 | G | 87 | Confident | 87.7 | Confident | 32 Ų | 32 | 17 Ų | 17 | 33% | 0.33 | 12% | 0.119 | S | C | . | . | I | π-helix | trans | -63.8 | -41.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L888 S889 G896 | L888-G892 PolarHBondContact O-N 3.33Å; S889-G892 PolarHBondContact O-N 2.88Å; G892-G896 PolarHBondContact O-N 3.4Å |
| 893 | T | 87.6 | Confident | 88.6 | Confident | 18 Ų | 18 | 20.6 Ų | 20.6 | 11% | 0.11 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -74.1 | -50 | -172.8 | -58 | 0 | 0 | 0 | 0 | 112.3 | S889 I890 P897 T927 L928 A931 | S889-T893 WeakPolarHBondContact O-CB 3.42Å; S889-T893 PolarHBondContact O-N 3.28Å; S889-T893 PolarHBondContact O-OG1 3.06Å; I890-T893 PolarHBondContact O-N 3.3Å; T893-P897 VanDerWaalsContact O-CD 3.26Å; T893-P897 WeakPolarHBondContact O-CD 3.48Å; T893-T927 VanDerWaalsContact O-CB 3.28Å; T893-T927 WeakPolarHBondContact O-CB 3.43Å; T893-T927 PolarHBondContact O-OG1 3.03Å; T893-L928 HydrophobicContact CG2-CB 4.48Å; T893-L928 HydrophobicContact CG2-CD2 3.68Å; T893-L928 HydrophobicContact CG2-CG 4.04Å; T893-A931 HydrophobicContact CG2-CB 3.67Å; T893-A931 VanDerWaalsContact OG1-CB 3.24Å; T893-A931 WeakPolarHBondContact OG1-CB 3.39Å |
| 894 | V | 89.1 | Confident | 89.3 | Confident | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -99.9 | -38.5 | -172.3 | -171.2 | 0 | 0 | 0 | 0 | 110.9 | I602 F605 E606 I890 P897 L924 | I602-V894 HydrophobicContact CG2-CG1 3.39Å; F605-V894 HydrophobicContact CD1-CG1 4.36Å; F605-V894 HydrophobicContact CD1-CG2 4.31Å; F605-V894 HydrophobicContact CE1-CG2 4.31Å; E606-V894 HydrophobicContact CB-CB 3.96Å; E606-V894 HydrophobicContact CB-CG1 3.63Å; E606-V894 HydrophobicContact CG-CB 3.91Å; E606-V894 HydrophobicContact CG-CG1 4.14Å; I890-V894 PolarHBondContact O-N 3.48Å; V894-P897 WeakPolarHBondContact O-CD 3.4Å; V894-L924 HydrophobicContact CG1-CD1 4.23Å |
| 895 | G | 87.8 | Confident | 89.7 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -72.3 | -34 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E606 C723 F891 L898 L899 | E606-G895 WeakPolarHBondContact OE2-CA 3.36Å; E606-G895 PolarHBondContact OE2-N 3.12Å; C723-G895 WeakPolarHBondContact SG-CA 3.31Å; C723-G895 PolarHBondContact SG-O 2.86Å; F891-G895 CarbonylContact O-C 3.54Å; F891-G895 WeakPolarHBondContact O-CA 3.35Å; F891-G895 PolarHBondContact O-N 2.89Å; G895-L898 WeakPolarHBondContact O-CB 3.2Å; G895-L898 PolarHBondContact O-N 3.05Å; G895-L898 VanDerWaalsContact O-N 3.11Å; G895-L899 PolarHBondContact O-N 3.21Å |
| 896 | G | 90.9 | Very high | 90.2 | Very high | 33 Ų | 33 | 20.7 Ų | 20.7 | 34% | 0.34 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -53.4 | -53.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F891 G892 L898 L899 G900 | F891-G896 PolarHBondContact O-N 2.92Å; F891-G896 VanDerWaalsContact O-N 3.15Å; G892-G896 PolarHBondContact O-N 3.4Å; G896-L898 VanDerWaalsContact C-N 3.33Å; G896-L898 PolarHBondContact O-N 3.16Å; G896-L899 WeakPolarHBondContact O-CB 3.47Å; G896-L899 PolarHBondContact O-N 3.16Å; G896-G900 PolarHBondContact O-N 3.28Å |
| 897 | P | 92 | Very high | 90.7 | Very high | 12 Ų | 12 | 22.4 Ų | 22.4 | 8% | 0.078 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.1 | -40.8 | 173.3 | -26.4 | 33.3 | 0 | 0 | 0 | 113.7 | T893 V894 G900 V901 L924 T927 | T893-P897 VanDerWaalsContact O-CD 3.26Å; T893-P897 WeakPolarHBondContact O-CD 3.48Å; V894-P897 WeakPolarHBondContact O-CD 3.4Å; P897-G900 PolarHBondContact O-N 3.48Å; P897-V901 WeakPolarHBondContact O-CG2 3.29Å; P897-V901 PolarHBondContact O-N 3.06Å; P897-V901 VanDerWaalsContact O-N 3.13Å; P897-L924 HydrophobicContact CB-CB 4.32Å; P897-L924 HydrophobicContact CG-CB 4.17Å; P897-L924 HydrophobicContact CG-CD1 4.35Å; P897-T927 HydrophobicContact CG-CG2 4.31Å |
| 898 | L | 93.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.3 | -44.8 | 175.8 | -72.2 | 176.5 | 0 | 0 | 0 | 111.3 | A599 I602 F603 G895 G896 G900 V901 F902 M920 | A599-L898 HydrophobicContact CB-CD2 3.77Å; I602-L898 HydrophobicContact CB-CD2 4.1Å; I602-L898 HydrophobicContact CB-CG 4.44Å; I602-L898 HydrophobicContact CG2-CD1 3.91Å; I602-L898 HydrophobicContact CG2-CD2 3.96Å; I602-L898 HydrophobicContact CG2-CG 3.78Å; F603-L898 HydrophobicContact CB-CD1 4.03Å; G895-L898 WeakPolarHBondContact O-CB 3.2Å; G895-L898 PolarHBondContact O-N 3.05Å; G895-L898 VanDerWaalsContact O-N 3.11Å; G896-L898 VanDerWaalsContact C-N 3.33Å; G896-L898 PolarHBondContact O-N 3.16Å; L898-G900 VanDerWaalsContact C-N 3.32Å; L898-G900 PolarHBondContact O-N 3.13Å; L898-V901 PolarHBondContact O-N 2.04Å; L898-V901 VanDerWaalsContact O-N 3.14Å; L898-F902 WeakPolarHBondContact O-CD2 3.36Å; L898-F902 PolarHBondContact O-N 3.37Å; L898-M920 HydrophobicContact CD2-SD 4.48Å |
| 899 | L | 93.5 | Very high | 91.3 | Very high | 7 Ų | 7 | 27.7 Ų | 27.7 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58 | -44.3 | 174.8 | 177.9 | 58.1 | 0 | 0 | 0 | 111.8 | F719 I722 C723 T727 G895 G896 V901 F902 F903 | F719-L899 HydrophobicContact CB-CD2 4.39Å; F719-L899 HydrophobicContact CD1-CD2 3.87Å; F719-L899 WeakPolarHBondContact O-CD2 3.46Å; I722-L899 HydrophobicContact CB-CD2 4.14Å; I722-L899 HydrophobicContact CG2-CD1 3.57Å; I722-L899 HydrophobicContact CG2-CD2 3.86Å; I722-L899 HydrophobicContact CG2-CG 4.38Å; C723-L899 HydrophobicContact CB-CB 4.23Å; C723-L899 HydrophobicContact CB-CD2 4.12Å; T727-L899 HydrophobicContact CG2-CB 4.36Å; T727-L899 HydrophobicContact CG2-CD1 4.03Å; G895-L899 PolarHBondContact O-N 3.21Å; G896-L899 WeakPolarHBondContact O-CB 3.47Å; G896-L899 PolarHBondContact O-N 3.16Å; L899-V901 VanDerWaalsContact C-N 3.25Å; L899-V901 PolarHBondContact O-N 3.19Å; L899-F902 PolarHBondContact O-N 3.29Å; L899-F903 VanDerWaalsContact O-CB 3.3Å; L899-F903 WeakPolarHBondContact O-CB 3.46Å; L899-F903 PolarHBondContact O-N 3.35Å |
| 900 | G | 93.5 | Very high | 91.7 | Very high | 34 Ų | 34 | 32.7 Ų | 32.7 | 35% | 0.351 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.8 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | G896 P897 L898 S904 | G896-G900 PolarHBondContact O-N 3.28Å; P897-G900 PolarHBondContact O-N 3.48Å; L898-G900 VanDerWaalsContact C-N 3.32Å; L898-G900 PolarHBondContact O-N 3.13Å; G900-S904 WeakPolarHBondContact O-CB 3.09Å; G900-S904 PolarHBondContact O-N 3.08Å; G900-S904 PolarHBondContact O-OG 2.84Å |
| 901 | V | 94.6 | Very high | 92 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.4 | -46.2 | 177.8 | 173.4 | 0 | 0 | 0 | 0 | 112.3 | L587 I595 P897 L898 L899 G905 I916 M920 | L587-V901 HydrophobicContact CD1-CG1 3.89Å; L587-V901 HydrophobicContact CD2-CG1 3.75Å; L587-V901 HydrophobicContact CG-CG1 4.48Å; I595-V901 HydrophobicContact CG2-CG1 4.23Å; P897-V901 WeakPolarHBondContact O-CG2 3.29Å; P897-V901 PolarHBondContact O-N 3.06Å; P897-V901 VanDerWaalsContact O-N 3.13Å; L898-V901 PolarHBondContact O-N 2.04Å; L898-V901 VanDerWaalsContact O-N 3.14Å; L899-V901 VanDerWaalsContact C-N 3.25Å; L899-V901 PolarHBondContact O-N 3.19Å; V901-G905 PolarHBondContact O-N 2.91Å; V901-I916 HydrophobicContact CB-CG1 4.36Å; V901-I916 HydrophobicContact CG1-CG1 3.91Å; V901-I916 HydrophobicContact CG2-CD1 4.26Å; V901-I916 HydrophobicContact CG2-CG1 4.15Å; V901-M920 HydrophobicContact CG2-CB 3.61Å; V901-M920 HydrophobicContact CG2-CG 3.78Å; V901-M920 HydrophobicContact CG2-SD 3.84Å |
| 902 | F | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.5 | -44.3 | 177.8 | -85 | -90.8 | 0 | 0 | 0 | 111.9 | V583 Y584 Y586 L587 T727 L898 L899 S904 G905 M906 | V583-F902 HydrophobicContact CG1-CZ 4.06Å; V583-F902 HydrophobicContact CG2-CE1 3.82Å; V583-F902 HydrophobicContact CG2-CZ 4.12Å; Y584-F902 AromaticContact CD1-CE2 3.66Å; Y584-F902 HydrophobicContact CD1-CE2 3.66Å; Y584-F902 AromaticContact CD1-CZ 3.61Å; Y584-F902 HydrophobicContact CD1-CZ 3.61Å; Y584-F902 AromaticContact CE1-CE2 3.61Å; Y584-F902 HydrophobicContact CE1-CE2 3.61Å; Y584-F902 AromaticContact CE1-CZ 3.86Å; Y584-F902 HydrophobicContact CE1-CZ 3.86Å; Y586-F902 AromaticContact CD1-CD1 3.71Å; Y586-F902 HydrophobicContact CD1-CD1 3.71Å; Y586-F902 AromaticContact CD1-CE1 3.71Å; Y586-F902 HydrophobicContact CD1-CE1 3.71Å; Y586-F902 HydrophobicContact CE1-CD1 4.14Å; Y586-F902 HydrophobicContact CG-CE1 4.43Å; L587-F902 HydrophobicContact CD1-CD2 4.42Å; L587-F902 HydrophobicContact CD1-CE2 3.83Å; L587-F902 HydrophobicContact CD1-CZ 3.99Å; L587-F902 HydrophobicContact CD2-CD1 4.41Å; L587-F902 HydrophobicContact CD2-CE1 4.4Å; L587-F902 HydrophobicContact CD2-CZ 4.48Å; L587-F902 HydrophobicContact CG-CE1 4.29Å; L587-F902 HydrophobicContact CG-CE2 4.29Å; L587-F902 HydrophobicContact CG-CZ 4.05Å; T727-F902 HydrophobicContact CG2-CB 3.59Å; T727-F902 HydrophobicContact CG2-CD1 4.44Å; T727-F902 HydrophobicContact CG2-CD2 3.41Å; T727-F902 VanDerWaalsContact CG2-CD2 3.41Å; T727-F902 HydrophobicContact CG2-CE2 4.18Å; T727-F902 HydrophobicContact CG2-CG 3.56Å; L898-F902 WeakPolarHBondContact O-CD2 3.36Å; L898-F902 PolarHBondContact O-N 3.37Å; L899-F902 PolarHBondContact O-N 3.29Å; F902-S904 VanDerWaalsContact C-N 3.34Å; F902-S904 PolarHBondContact O-N 3.32Å; F902-G905 PolarHBondContact O-N 3.41Å; F902-M906 HydrophobicContact CB-CE 4.33Å; F902-M906 HydrophobicContact CD1-CE 3.76Å; F902-M906 WeakPolarHBondContact O-CB 3.35Å; F902-M906 VanDerWaalsContact O-CG 3.3Å; F902-M906 WeakPolarHBondContact O-CG 3.4Å; F902-M906 PolarHBondContact O-N 3.12Å |
| 903 | F | 94.3 | Very high | 92.6 | Very high | 89 Ų | 89 | 36.3 Ų | 36.3 | 39% | 0.39 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56.9 | -49.5 | 176.3 | -176.9 | -88.8 | 0 | 0 | 0 | 111.1 | Y571 L899 G905 M906 F907 | Y571-F903 WeakPolarHBondContact OH-CD2 3.39Å; L899-F903 VanDerWaalsContact O-CB 3.3Å; L899-F903 WeakPolarHBondContact O-CB 3.46Å; L899-F903 PolarHBondContact O-N 3.35Å; F903-G905 PolarHBondContact O-N 3.1Å; F903-M906 PolarHBondContact O-N 3.27Å; F903-F907 HydrophobicContact CD1-CD2 4.46Å; F903-F907 AromaticContact CD2-CD2 3.51Å; F903-F907 HydrophobicContact CD2-CD2 3.51Å; F903-F907 AromaticContact CD2-CE2 3.85Å; F903-F907 HydrophobicContact CD2-CE2 3.85Å; F903-F907 AromaticContact CE2-CD2 3.61Å; F903-F907 HydrophobicContact CE2-CD2 3.61Å; F903-F907 HydrophobicContact CE2-CE2 4.08Å; F903-F907 HydrophobicContact CE2-CG 4.41Å; F903-F907 AromaticContact CG-CD2 3.97Å; F903-F907 HydrophobicContact CG-CD2 3.97Å; F903-F907 HydrophobicContact CZ-CB 4.49Å; F903-F907 HydrophobicContact CZ-CD2 4.13Å; F903-F907 VanDerWaalsContact O-CD2 3.32Å; F903-F907 WeakPolarHBondContact O-CD2 3.01Å; F903-F907 PolarHBondContact O-N 3.44Å |
| 904 | S | 94 | Very high | 92.9 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60 | -44.7 | 177.1 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | G900 F902 M906 L908 | G900-S904 WeakPolarHBondContact O-CB 3.09Å; G900-S904 PolarHBondContact O-N 3.08Å; G900-S904 PolarHBondContact O-OG 2.84Å; F902-S904 VanDerWaalsContact C-N 3.34Å; F902-S904 PolarHBondContact O-N 3.32Å; S904-M906 VanDerWaalsContact C-N 3.35Å; S904-M906 PolarHBondContact O-N 2.85Å; S904-L908 CarbonylContact O-C 3.59Å; S904-L908 WeakPolarHBondContact O-CA 3.44Å; S904-L908 VanDerWaalsContact O-CB 3.31Å; S904-L908 WeakPolarHBondContact O-CB 3.22Å; S904-L908 PolarHBondContact O-N 3.33Å |
| 905 | G | 92.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y586 R590 V901 F902 F903 | Y586-G905 PolarHBondContact OH-O 2.98Å; R590-G905 WeakPolarHBondContact CD-O 3.36Å; R590-G905 PolarHBondContact NE-O 3.21Å; R590-G905 VanDerWaalsContact NE-O 3.08Å; V901-G905 PolarHBondContact O-N 2.91Å; F902-G905 PolarHBondContact O-N 3.41Å; F903-G905 PolarHBondContact O-N 3.1Å |
| 906 | M | 93.3 | Very high | 93.5 | Very high | 27 Ų | 27 | 45 Ų | 45 | 13% | 0.133 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -79.1 | -40.5 | -173.4 | -71 | -172.1 | -160.6 | 0 | 0 | 113.3 | Y571 I574 M575 Y586 F902 F903 S904 | Y571-M906 HydrophobicContact CD1-CE 4.31Å; Y571-M906 HydrophobicContact CD1-SD 3.7Å; Y571-M906 HydrophobicContact CE1-SD 4.28Å; I574-M906 HydrophobicContact CB-SD 4.41Å; I574-M906 HydrophobicContact CD1-CB 4.05Å; I574-M906 HydrophobicContact CD1-CG 4.32Å; I574-M906 HydrophobicContact CD1-SD 4.12Å; I574-M906 HydrophobicContact CG2-CG 4.18Å; I574-M906 HydrophobicContact CG2-SD 4.25Å; M575-M906 HydrophobicContact CG-CE 3.62Å; M575-M906 HydrophobicContact SD-CE 3.6Å; M575-M906 VanDerWaalsContact SD-CE 3.6Å; Y586-M906 HydrophobicContact CE1-CE 4.32Å; Y586-M906 HydrophobicContact CE1-CG 3.91Å; Y586-M906 HydrophobicContact CE2-CG 4.47Å; Y586-M906 WeakPolarHBondContact OH-CA 3Å; Y586-M906 VanDerWaalsContact OH-CG 3.28Å; Y586-M906 WeakPolarHBondContact OH-CG 3.49Å; Y586-M906 PolarHBondContact OH-N 3.24Å; F902-M906 HydrophobicContact CB-CE 4.33Å; F902-M906 HydrophobicContact CD1-CE 3.76Å; F902-M906 WeakPolarHBondContact O-CB 3.35Å; F902-M906 VanDerWaalsContact O-CG 3.3Å; F902-M906 WeakPolarHBondContact O-CG 3.4Å; F902-M906 PolarHBondContact O-N 3.12Å; F903-M906 PolarHBondContact O-N 3.27Å; S904-M906 VanDerWaalsContact C-N 3.35Å; S904-M906 PolarHBondContact O-N 2.85Å |
| 907 | F | 94.2 | Very high | 93.6 | Very high | 66 Ų | 66 | 44 Ų | 44 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -114.2 | -15.1 | -168 | -54.3 | -67.2 | 0 | 0 | 0 | 114.1 | V570 Y571 I574 F903 P909 | V570-F907 HydrophobicContact CG1-CE1 3.72Å; V570-F907 HydrophobicContact CG1-CZ 3.61Å; Y571-F907 HydrophobicContact CD1-CE2 4.19Å; Y571-F907 HydrophobicContact CD1-CZ 4.28Å; Y571-F907 AromaticContact CE1-CE2 3.66Å; Y571-F907 HydrophobicContact CE1-CE2 3.66Å; Y571-F907 HydrophobicContact CE1-CZ 4.16Å; Y571-F907 AromaticContact CZ-CE2 3.86Å; I574-F907 HydrophobicContact CD1-CE1 3.68Å; I574-F907 HydrophobicContact CD1-CZ 3.96Å; F903-F907 HydrophobicContact CD1-CD2 4.46Å; F903-F907 AromaticContact CD2-CD2 3.51Å; F903-F907 HydrophobicContact CD2-CD2 3.51Å; F903-F907 AromaticContact CD2-CE2 3.85Å; F903-F907 HydrophobicContact CD2-CE2 3.85Å; F903-F907 AromaticContact CE2-CD2 3.61Å; F903-F907 HydrophobicContact CE2-CD2 3.61Å; F903-F907 HydrophobicContact CE2-CE2 4.08Å; F903-F907 HydrophobicContact CE2-CG 4.41Å; F903-F907 AromaticContact CG-CD2 3.97Å; F903-F907 HydrophobicContact CG-CD2 3.97Å; F903-F907 HydrophobicContact CZ-CB 4.49Å; F903-F907 HydrophobicContact CZ-CD2 4.13Å; F903-F907 VanDerWaalsContact O-CD2 3.32Å; F903-F907 WeakPolarHBondContact O-CD2 3.01Å; F903-F907 PolarHBondContact O-N 3.44Å; F907-P909 VanDerWaalsContact O-CD 3.22Å; F907-P909 WeakPolarHBondContact O-CD 3.37Å |
| 908 | L | 94.7 | Very high | 93.6 | Very high | 50 Ų | 50 | 48.6 Ų | 48.6 | 26% | 0.262 | 26% | 0.264 | S | S | . | . | trans | -112.2 | 87.9 | -178.5 | -53.8 | -179.7 | 0 | 0 | 0 | 110.2 | R590 S904 F910 I911 | R590-L908 PolarHBondContact NH2-O 3.42Å; R590-L908 VanDerWaalsContact NH2-O 3.16Å; S904-L908 CarbonylContact O-C 3.59Å; S904-L908 WeakPolarHBondContact O-CA 3.44Å; S904-L908 VanDerWaalsContact O-CB 3.31Å; S904-L908 WeakPolarHBondContact O-CB 3.22Å; S904-L908 PolarHBondContact O-N 3.33Å; L908-F910 HydrophobicContact CB-CE1 4.17Å; L908-F910 HydrophobicContact CB-CE2 4.39Å; L908-F910 HydrophobicContact CB-CZ 4Å; L908-F910 HydrophobicContact CD1-CZ 4.43Å; L908-F910 HydrophobicContact CD2-CE1 4.05Å; L908-F910 HydrophobicContact CD2-CZ 3.9Å; L908-F910 HydrophobicContact CG-CZ 4.33Å; L908-F910 PolarHBondContact O-N 3.19Å; L908-I911 HydrophobicContact CB-CD1 3.58Å; L908-I911 HydrophobicContact CB-CG1 3.94Å; L908-I911 HydrophobicContact CD1-CD1 3.56Å; L908-I911 HydrophobicContact CG-CD1 4.21Å; L908-I911 PolarHBondContact O-N 3.5Å | ||
| 909 | P | 90.2 | Very high | 93.7 | Very high | 106 Ų | 106 | 51.3 Ų | 51.3 | 69% | 0.688 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -22.7 | -173.2 | 26.5 | -35.1 | 0 | 0 | 0 | 113.5 | R590 F907 I911 | R590-P909 PolarHBondContact NH2-O 3.12Å; F907-P909 VanDerWaalsContact O-CD 3.22Å; F907-P909 WeakPolarHBondContact O-CD 3.37Å; P909-I911 VanDerWaalsContact C-N 3.31Å; P909-I911 PolarHBondContact O-N 3.33Å |
| 910 | F | 93.8 | Very high | 93.7 | Very high | 160 Ų | 160 | 51 Ų | 51 | 70% | 0.702 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -8.2 | -177.4 | 53.3 | -97.7 | 0 | 0 | 0 | 114.5 | L908 | L908-F910 HydrophobicContact CB-CE1 4.17Å; L908-F910 HydrophobicContact CB-CE2 4.39Å; L908-F910 HydrophobicContact CB-CZ 4Å; L908-F910 HydrophobicContact CD1-CZ 4.43Å; L908-F910 HydrophobicContact CD2-CE1 4.05Å; L908-F910 HydrophobicContact CD2-CZ 3.9Å; L908-F910 HydrophobicContact CG-CZ 4.33Å; L908-F910 PolarHBondContact O-N 3.19Å |
| 911 | I | 94.1 | Very high | 93.6 | Very high | 27 Ų | 27 | 54 Ų | 54 | 14% | 0.138 | 29% | 0.292 | C | S | . | . | trans | -79.6 | 136.9 | -177.9 | -63.6 | -178.3 | 0 | 0 | 0 | 110.9 | R590 F591 L908 P909 D915 I916 | R590-I911 PolarHBondContact NH1-O 3.29Å; R590-I911 PolarHBondContact NH2-O 2.94Å; F591-I911 HydrophobicContact CE1-CB 4.45Å; F591-I911 HydrophobicContact CE1-CG2 4Å; F591-I911 WeakPolarHBondContact CE1-O 3.45Å; F591-I911 HydrophobicContact CZ-CG2 4.19Å; L908-I911 HydrophobicContact CB-CD1 3.58Å; L908-I911 HydrophobicContact CB-CG1 3.94Å; L908-I911 HydrophobicContact CD1-CD1 3.56Å; L908-I911 HydrophobicContact CG-CD1 4.21Å; L908-I911 PolarHBondContact O-N 3.5Å; P909-I911 VanDerWaalsContact C-N 3.31Å; P909-I911 PolarHBondContact O-N 3.33Å; I911-D915 HydrophobicContact CG2-CB 4.4Å; I911-I916 HydrophobicContact CG2-CB 3.98Å; I911-I916 HydrophobicContact CG2-CD1 4.27Å | ||
| 912 | N | 94 | Very high | 93.5 | Very high | 75 Ų | 75 | 55.6 Ų | 55.6 | 40% | 0.401 | 31% | 0.308 | S | S | . | . | trans | -102.5 | 171.6 | 175.4 | 72.8 | 55.2 | 0 | 0 | 0 | 112.5 | L914 D915 I916 | N912-L914 PolarHBondContact O-N 3.11Å; N912-L914 WeakPolarHBondContact OD1-CB 3.33Å; N912-L914 PolarHBondContact OD1-N 3.46Å; N912-D915 VanDerWaalsContact CG-OD2 3.25Å; N912-D915 VanDerWaalsContact ND2-CG 3.27Å; N912-D915 PolarHBondContact ND2-OD1 3.3Å; N912-D915 PolarHBondContact ND2-OD2 3.37Å; N912-D915 VanDerWaalsContact OD1-CG 3.27Å; N912-D915 PolarHBondContact OD1-N 3.39Å; N912-D915 PolarHBondContact OD1-OD1 3.35Å; N912-D915 PolarHBondContact OD1-OD2 2.05Å; N912-I916 PolarHBondContact O-N 3.36Å | ||
| 913 | S | 94.1 | Very high | 93.4 | Very high | 29 Ų | 29 | 56.8 Ų | 56.8 | 20% | 0.203 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.2 | -26.2 | -174.7 | -48.6 | 0 | 0 | 0 | 0 | 114.6 | F591 N592 I595 I916 G917 | F591-S913 WeakPolarHBondContact CA-OG 3.18Å; F591-S913 WeakPolarHBondContact CB-OG 3.09Å; F591-S913 PolarHBondContact O-OG 2.99Å; N592-S913 WeakPolarHBondContact ND2-CB 3.4Å; I595-S913 WeakPolarHBondContact CD1-O 3.39Å; S913-I916 WeakPolarHBondContact O-CG2 3.5Å; S913-G917 PolarHBondContact O-N 3.34Å |
| 914 | L | 93.3 | Very high | 93.4 | Very high | 120 Ų | 120 | 53.8 Ų | 53.8 | 63% | 0.628 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -75.4 | -50.1 | 178.6 | 178.6 | 65.2 | 0 | 0 | 0 | 109.9 | N912 I916 G917 I918 | N912-L914 PolarHBondContact O-N 3.11Å; N912-L914 WeakPolarHBondContact OD1-CB 3.33Å; N912-L914 PolarHBondContact OD1-N 3.46Å; L914-I916 VanDerWaalsContact C-N 3.28Å; L914-I916 PolarHBondContact O-N 3.25Å; L914-G917 PolarHBondContact O-N 3.45Å; L914-G917 VanDerWaalsContact O-N 3.1Å; L914-I918 HydrophobicContact CD1-CD1 4.2Å; L914-I918 HydrophobicContact CG-CD1 4.11Å; L914-I918 PolarHBondContact O-N 3.49Å |
| 915 | D | 93.7 | Very high | 93.2 | Very high | 80 Ų | 80 | 55.6 Ų | 55.6 | 43% | 0.428 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.6 | -45.4 | -178.8 | -59 | -15.1 | 0 | 0 | 0 | 110.6 | I911 N912 G917 I918 A919 | I911-D915 HydrophobicContact CG2-CB 4.4Å; N912-D915 VanDerWaalsContact CG-OD2 3.25Å; N912-D915 VanDerWaalsContact ND2-CG 3.27Å; N912-D915 PolarHBondContact ND2-OD1 3.3Å; N912-D915 PolarHBondContact ND2-OD2 3.37Å; N912-D915 VanDerWaalsContact OD1-CG 3.27Å; N912-D915 PolarHBondContact OD1-N 3.39Å; N912-D915 PolarHBondContact OD1-OD1 3.35Å; N912-D915 PolarHBondContact OD1-OD2 2.05Å; D915-G917 VanDerWaalsContact C-N 3.34Å; D915-G917 PolarHBondContact O-N 3.01Å; D915-I918 PolarHBondContact O-N 3.42Å; D915-A919 WeakPolarHBondContact O-CB 3Å; D915-A919 PolarHBondContact O-N 2.87Å |
| 916 | I | 95.1 | Very high | 93.2 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.4 | -32.1 | -179.1 | -157.3 | 59.4 | 0 | 0 | 0 | 112.8 | F591 I595 V901 I911 N912 S913 L914 M920 | F591-I916 HydrophobicContact CD1-CG2 4.01Å; F591-I916 HydrophobicContact CD2-CG2 3.99Å; F591-I916 HydrophobicContact CE1-CB 4.35Å; F591-I916 HydrophobicContact CE1-CG2 4.08Å; F591-I916 HydrophobicContact CE2-CB 4.39Å; F591-I916 HydrophobicContact CE2-CG1 4.01Å; F591-I916 HydrophobicContact CE2-CG2 4.05Å; F591-I916 HydrophobicContact CG-CG2 3.96Å; F591-I916 HydrophobicContact CZ-CB 4.15Å; F591-I916 HydrophobicContact CZ-CG1 4.03Å; F591-I916 HydrophobicContact CZ-CG2 4.09Å; I595-I916 HydrophobicContact CD1-CG2 3.84Å; I595-I916 HydrophobicContact CG1-CG2 3.78Å; I595-I916 HydrophobicContact CG2-CG2 4.12Å; V901-I916 HydrophobicContact CB-CG1 4.36Å; V901-I916 HydrophobicContact CG1-CG1 3.91Å; V901-I916 HydrophobicContact CG2-CD1 4.26Å; V901-I916 HydrophobicContact CG2-CG1 4.15Å; I911-I916 HydrophobicContact CG2-CB 3.98Å; I911-I916 HydrophobicContact CG2-CD1 4.27Å; N912-I916 PolarHBondContact O-N 3.36Å; S913-I916 WeakPolarHBondContact O-CG2 3.5Å; L914-I916 VanDerWaalsContact C-N 3.28Å; L914-I916 PolarHBondContact O-N 3.25Å; I916-M920 WeakPolarHBondContact O-CB 3.38Å; I916-M920 PolarHBondContact O-N 3.32Å |
| 917 | G | 92.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 59.2 Ų | 59.2 | 10% | 0.103 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I595 S913 L914 D915 L921 | I595-G917 VanDerWaalsContact CD1-CA 3.42Å; S913-G917 PolarHBondContact O-N 3.34Å; L914-G917 PolarHBondContact O-N 3.45Å; L914-G917 VanDerWaalsContact O-N 3.1Å; D915-G917 VanDerWaalsContact C-N 3.34Å; D915-G917 PolarHBondContact O-N 3.01Å; G917-L921 PolarHBondContact O-N 2.88Å |
| 918 | I | 93.6 | Very high | 92.8 | Very high | 110 Ų | 110 | 58.4 Ų | 58.4 | 56% | 0.564 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65.9 | -45.8 | 175.6 | -63.3 | 170.4 | 0 | 0 | 0 | 110.1 | L914 D915 M920 L921 G922 | L914-I918 HydrophobicContact CD1-CD1 4.2Å; L914-I918 HydrophobicContact CG-CD1 4.11Å; L914-I918 PolarHBondContact O-N 3.49Å; D915-I918 PolarHBondContact O-N 3.42Å; I918-M920 VanDerWaalsContact C-N 3.33Å; I918-M920 PolarHBondContact O-N 3.27Å; I918-L921 PolarHBondContact O-N 3.15Å; I918-G922 PolarHBondContact O-N 2.86Å |
| 919 | A | 93.8 | Very high | 92.4 | Very high | 57 Ų | 57 | 65.8 Ų | 65.8 | 47% | 0.471 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D915 G923 | D915-A919 WeakPolarHBondContact O-CB 3Å; D915-A919 PolarHBondContact O-N 2.87Å; A919-G923 PolarHBondContact O-N 2.85Å |
| 920 | M | 94.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 177.5 | -175.5 | 167.6 | 43.6 | 0 | 0 | 112.3 | I595 M598 A599 I602 L898 V901 I916 I918 L924 | I595-M920 HydrophobicContact CD1-CE 4.43Å; I595-M920 HydrophobicContact CG2-CE 4.38Å; M598-M920 HydrophobicContact CB-CE 3.34Å; M598-M920 HydrophobicContact CB-SD 4.39Å; M598-M920 HydrophobicContact CE-CE 3.77Å; M598-M920 HydrophobicContact CG-CE 4.26Å; M598-M920 HydrophobicContact SD-CE 3.98Å; A599-M920 HydrophobicContact CB-SD 4.12Å; I602-M920 HydrophobicContact CD1-CG 3.77Å; I602-M920 HydrophobicContact CD1-SD 3.7Å; L898-M920 HydrophobicContact CD2-SD 4.48Å; V901-M920 HydrophobicContact CG2-CB 3.61Å; V901-M920 HydrophobicContact CG2-CG 3.78Å; V901-M920 HydrophobicContact CG2-SD 3.84Å; I916-M920 WeakPolarHBondContact O-CB 3.38Å; I916-M920 PolarHBondContact O-N 3.32Å; I918-M920 VanDerWaalsContact C-N 3.33Å; I918-M920 PolarHBondContact O-N 3.27Å; M920-L924 VanDerWaalsContact O-CB 3.32Å; M920-L924 WeakPolarHBondContact O-CB 3.34Å; M920-L924 PolarHBondContact O-N 3.34Å |
| 921 | L | 91.5 | Very high | 91.7 | Very high | 97 Ų | 97 | 59.8 Ų | 59.8 | 51% | 0.508 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.7 | -43.5 | 178.9 | -69.9 | 176 | 0 | 0 | 0 | 112 | M598 G917 I918 L924 A925 | M598-L921 HydrophobicContact CE-CD1 3.69Å; M598-L921 HydrophobicContact CE-CD2 3.68Å; M598-L921 HydrophobicContact CE-CG 3.49Å; M598-L921 VanDerWaalsContact CE-CG 3.49Å; G917-L921 PolarHBondContact O-N 2.88Å; I918-L921 PolarHBondContact O-N 3.15Å; L921-L924 PolarHBondContact O-N 3.03Å; L921-A925 WeakPolarHBondContact O-CB 3.36Å; L921-A925 PolarHBondContact O-N 3.24Å |
| 922 | G | 92.2 | Very high | 91 | Very high | 35 Ų | 35 | 63.3 Ų | 63.3 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I918 S926 | I918-G922 PolarHBondContact O-N 2.86Å; G922-S926 WeakPolarHBondContact O-CB 3.49Å; G922-S926 PolarHBondContact O-N 2.88Å; G922-S926 PolarHBondContact O-OG 3.33Å |
| 923 | G | 93 | Very high | 90.1 | Very high | 25 Ų | 25 | 61 Ų | 61 | 26% | 0.258 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.2 | -51.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A919 A925 S926 T927 | A919-G923 PolarHBondContact O-N 2.85Å; G923-A925 PolarHBondContact O-N 3.43Å; G923-S926 PolarHBondContact O-N 3.36Å; G923-T927 WeakPolarHBondContact O-CG2 3.03Å; G923-T927 PolarHBondContact O-N 3.47Å; G923-T927 PolarHBondContact O-OG1 2.75Å |
| 924 | L | 92.4 | Very high | 89.1 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 14% | 0.136 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 179.6 | -175.8 | 67.1 | 0 | 0 | 0 | 112.9 | I602 V894 P897 M920 L921 T927 L928 | I602-L924 HydrophobicContact CD1-CD2 3.88Å; I602-L924 HydrophobicContact CG1-CD2 3.92Å; I602-L924 HydrophobicContact CG2-CD1 4.39Å; V894-L924 HydrophobicContact CG1-CD1 4.23Å; P897-L924 HydrophobicContact CB-CB 4.32Å; P897-L924 HydrophobicContact CG-CB 4.17Å; P897-L924 HydrophobicContact CG-CD1 4.35Å; M920-L924 VanDerWaalsContact O-CB 3.32Å; M920-L924 WeakPolarHBondContact O-CB 3.34Å; M920-L924 PolarHBondContact O-N 3.34Å; L921-L924 PolarHBondContact O-N 3.03Å; L924-T927 PolarHBondContact O-OG1 3.43Å; L924-L928 HydrophobicContact CD1-CD1 3.97Å; L924-L928 HydrophobicContact CD1-CG 4.09Å; L924-L928 HydrophobicContact CD2-CD1 4.36Å; L924-L928 HydrophobicContact CG-CD1 3.74Å; L924-L928 HydrophobicContact CG-CG 4.28Å; L924-L928 WeakPolarHBondContact O-CB 3.5Å; L924-L928 WeakPolarHBondContact O-CG 3.12Å; L924-L928 PolarHBondContact O-N 3.49Å |
| 925 | A | 90 | Very high | 88 | Confident | 59 Ų | 59 | 61.6 Ų | 61.6 | 49% | 0.488 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L921 G923 W929 | L921-A925 WeakPolarHBondContact O-CB 3.36Å; L921-A925 PolarHBondContact O-N 3.24Å; G923-A925 PolarHBondContact O-N 3.43Å; A925-W929 VanDerWaalsContact O-CB 3.26Å; A925-W929 WeakPolarHBondContact O-CB 3Å; A925-W929 PolarHBondContact O-N 3.27Å |
| 926 | S | 93 | Very high | 86.8 | Confident | 71 Ų | 71 | 63 Ų | 63 | 50% | 0.497 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.2 | -45.2 | -179.7 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | G922 G923 W929 L930 | G922-S926 WeakPolarHBondContact O-CB 3.49Å; G922-S926 PolarHBondContact O-N 2.88Å; G922-S926 PolarHBondContact O-OG 3.33Å; G923-S926 PolarHBondContact O-N 3.36Å; S926-W929 WeakPolarHBondContact O-CB 3.42Å; S926-W929 PolarHBondContact O-N 3.31Å; S926-L930 WeakPolarHBondContact O-CG 3.41Å; S926-L930 PolarHBondContact O-N 3.07Å; S926-L930 VanDerWaalsContact O-N 3.13Å |
| 927 | T | 91.6 | Very high | 85.6 | Confident | 35 Ų | 35 | 67.9 Ų | 67.9 | 22% | 0.215 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -71 | -40.5 | 179.1 | 54.8 | 0 | 0 | 0 | 0 | 112 | T893 P897 G923 L924 W929 L930 A931 | T893-T927 VanDerWaalsContact O-CB 3.28Å; T893-T927 WeakPolarHBondContact O-CB 3.43Å; T893-T927 PolarHBondContact O-OG1 3.03Å; P897-T927 HydrophobicContact CG-CG2 4.31Å; G923-T927 WeakPolarHBondContact O-CG2 3.03Å; G923-T927 PolarHBondContact O-N 3.47Å; G923-T927 PolarHBondContact O-OG1 2.75Å; L924-T927 PolarHBondContact O-OG1 3.43Å; T927-W929 VanDerWaalsContact C-N 3.3Å; T927-W929 PolarHBondContact O-N 3.12Å; T927-L930 PolarHBondContact O-N 2.76Å; T927-A931 WeakPolarHBondContact O-CB 3.42Å; T927-A931 PolarHBondContact O-N 3.39Å |
| 928 | L | 87.4 | Confident | 84.4 | Confident | 50 Ų | 50 | 68.6 Ų | 68.6 | 26% | 0.262 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 174 | -77.8 | 171.5 | 0 | 0 | 0 | 111.6 | T893 L924 A931 L932 | T893-L928 HydrophobicContact CG2-CB 4.48Å; T893-L928 HydrophobicContact CG2-CD2 3.68Å; T893-L928 HydrophobicContact CG2-CG 4.04Å; L924-L928 HydrophobicContact CD1-CD1 3.97Å; L924-L928 HydrophobicContact CD1-CG 4.09Å; L924-L928 HydrophobicContact CD2-CD1 4.36Å; L924-L928 HydrophobicContact CG-CD1 3.74Å; L924-L928 HydrophobicContact CG-CG 4.28Å; L924-L928 WeakPolarHBondContact O-CB 3.5Å; L924-L928 WeakPolarHBondContact O-CG 3.12Å; L924-L928 PolarHBondContact O-N 3.49Å; L928-A931 PolarHBondContact O-N 2.98Å; L928-L932 VanDerWaalsContact O-CB 3.27Å; L928-L932 WeakPolarHBondContact O-CB 3.26Å; L928-L932 VanDerWaalsContact O-CG 3.31Å; L928-L932 WeakPolarHBondContact O-CG 3.42Å; L928-L932 PolarHBondContact O-N 3.3Å |
| 929 | W | 87.1 | Confident | 83.2 | Confident | 204 Ų | 204 | 67.6 Ų | 67.6 | 77% | 0.773 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -59 | -47.5 | 174.1 | 174.4 | -94.3 | 0 | 0 | 0 | 111.6 | A925 S926 T927 G933 | A925-W929 VanDerWaalsContact O-CB 3.26Å; A925-W929 WeakPolarHBondContact O-CB 3Å; A925-W929 PolarHBondContact O-N 3.27Å; S926-W929 WeakPolarHBondContact O-CB 3.42Å; S926-W929 PolarHBondContact O-N 3.31Å; T927-W929 VanDerWaalsContact C-N 3.3Å; T927-W929 PolarHBondContact O-N 3.12Å; W929-G933 WeakPolarHBondContact O-CA 3.42Å; W929-G933 PolarHBondContact O-N 3.26Å |
| 930 | L | 86.5 | Confident | 81.9 | Confident | 114 Ų | 114 | 69.9 Ų | 69.9 | 60% | 0.597 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.4 | -45.6 | 176.9 | -69 | 172.3 | 0 | 0 | 0 | 112 | S926 T927 T934 | S926-L930 WeakPolarHBondContact O-CG 3.41Å; S926-L930 PolarHBondContact O-N 3.07Å; S926-L930 VanDerWaalsContact O-N 3.13Å; T927-L930 PolarHBondContact O-N 2.76Å; L930-T934 PolarHBondContact O-N 3.12Å; L930-T934 PolarHBondContact O-OG1 3.21Å |
| 931 | A | 83 | Confident | 80.7 | Confident | 26 Ų | 26 | 71.5 Ų | 71.5 | 22% | 0.215 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67 | -50.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T893 T927 L928 G933 T934 V935 | T893-A931 HydrophobicContact CG2-CB 3.67Å; T893-A931 VanDerWaalsContact OG1-CB 3.24Å; T893-A931 WeakPolarHBondContact OG1-CB 3.39Å; T927-A931 WeakPolarHBondContact O-CB 3.42Å; T927-A931 PolarHBondContact O-N 3.39Å; L928-A931 PolarHBondContact O-N 2.98Å; A931-G933 VanDerWaalsContact C-N 3.34Å; A931-T934 PolarHBondContact O-N 2.96Å; A931-V935 WeakPolarHBondContact O-CG2 3.41Å; A931-V935 PolarHBondContact O-N 3.37Å |
| 932 | L | 79.6 | Confident | 79.8 | Confident | 102 Ų | 102 | 75.8 Ų | 75.8 | 53% | 0.534 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 177.4 | -67.4 | 174.3 | 0 | 0 | 0 | 111.1 | L928 T934 V935 I936 | L928-L932 VanDerWaalsContact O-CB 3.27Å; L928-L932 WeakPolarHBondContact O-CB 3.26Å; L928-L932 VanDerWaalsContact O-CG 3.31Å; L928-L932 WeakPolarHBondContact O-CG 3.42Å; L928-L932 PolarHBondContact O-N 3.3Å; L932-T934 VanDerWaalsContact C-N 3.32Å; L932-T934 PolarHBondContact O-N 3.23Å; L932-V935 PolarHBondContact O-N 2.97Å; L932-I936 HydrophobicContact CB-CD1 4.36Å; L932-I936 WeakPolarHBondContact O-CB 3.18Å; L932-I936 WeakPolarHBondContact O-CD1 3.02Å; L932-I936 WeakPolarHBondContact O-CG1 3.44Å; L932-I936 PolarHBondContact O-N 3.34Å |
| 933 | G | 74.6 | Confident | 79.2 | Confident | 25 Ų | 25 | 77 Ų | 77 | 26% | 0.258 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58 | -44.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | W929 A931 V935 I936 V937 | W929-G933 WeakPolarHBondContact O-CA 3.42Å; W929-G933 PolarHBondContact O-N 3.26Å; A931-G933 VanDerWaalsContact C-N 3.34Å; G933-V935 VanDerWaalsContact C-N 3.32Å; G933-V935 PolarHBondContact O-N 3.38Å; G933-I936 PolarHBondContact O-N 2.85Å; G933-V937 VanDerWaalsContact O-CB 3.27Å; G933-V937 WeakPolarHBondContact O-CB 3.4Å; G933-V937 WeakPolarHBondContact O-CG2 3.44Å; G933-V937 PolarHBondContact O-N 2.87Å |
| 934 | T | 74.1 | Confident | 78.8 | Confident | 61 Ų | 61 | 77 Ų | 77 | 37% | 0.374 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 177.4 | -54 | 0 | 0 | 0 | 0 | 111.9 | L930 A931 L932 G938 V939 | L930-T934 PolarHBondContact O-N 3.12Å; L930-T934 PolarHBondContact O-OG1 3.21Å; A931-T934 PolarHBondContact O-N 2.96Å; L932-T934 VanDerWaalsContact C-N 3.32Å; L932-T934 PolarHBondContact O-N 3.23Å; T934-G938 PolarHBondContact O-N 3.39Å; T934-V939 HydrophobicContact CG2-CB 3.89Å; T934-V939 HydrophobicContact CG2-CG2 4.15Å; T934-V939 PolarHBondContact O-N 3.02Å |
| 935 | V | 69.9 | Low | 78.3 | Confident | 102 Ų | 102 | 78.5 Ų | 78.5 | 62% | 0.618 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -70.5 | -44.6 | 177.5 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | A931 L932 G933 G938 | A931-V935 WeakPolarHBondContact O-CG2 3.41Å; A931-V935 PolarHBondContact O-N 3.37Å; L932-V935 PolarHBondContact O-N 2.97Å; G933-V935 VanDerWaalsContact C-N 3.32Å; G933-V935 PolarHBondContact O-N 3.38Å; V935-G938 PolarHBondContact O-N 3.06Å |
| 936 | I | 67.6 | Low | 78 | Confident | 110 Ų | 110 | 77.4 Ų | 77.4 | 56% | 0.564 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -67.6 | -42.2 | -178.1 | -69 | 164.8 | 0 | 0 | 0 | 111.2 | L932 G933 G938 | L932-I936 HydrophobicContact CB-CD1 4.36Å; L932-I936 WeakPolarHBondContact O-CB 3.18Å; L932-I936 WeakPolarHBondContact O-CD1 3.02Å; L932-I936 WeakPolarHBondContact O-CG1 3.44Å; L932-I936 PolarHBondContact O-N 3.34Å; G933-I936 PolarHBondContact O-N 2.85Å; I936-G938 PolarHBondContact O-N 3.36Å |
| 937 | V | 70.9 | Confident | 77.3 | Confident | 106 Ų | 106 | 75.9 Ų | 75.9 | 64% | 0.642 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -71.6 | -17.7 | 176.9 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | G933 V939 | G933-V937 VanDerWaalsContact O-CB 3.27Å; G933-V937 WeakPolarHBondContact O-CB 3.4Å; G933-V937 WeakPolarHBondContact O-CG2 3.44Å; G933-V937 PolarHBondContact O-N 2.87Å; V937-V939 HydrophobicContact CB-CG2 4.23Å; V937-V939 HydrophobicContact CG1-CG2 3.92Å |
| 938 | G | 66.6 | Low | 76.7 | Confident | 25 Ų | 25 | 77.1 Ų | 77.1 | 26% | 0.258 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 42.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T934 V935 I936 V940 | T934-G938 PolarHBondContact O-N 3.39Å; V935-G938 PolarHBondContact O-N 3.06Å; I936-G938 PolarHBondContact O-N 3.36Å; G938-V940 WeakPolarHBondContact O-CG2 3.39Å; G938-V940 PolarHBondContact O-N 3.45Å |
| 939 | V | 67.7 | Low | 75.9 | Confident | 89 Ų | 89 | 78.8 Ų | 78.8 | 54% | 0.539 | 44% | 0.439 | S | S | . | . | trans | -66.3 | 103.7 | 179.2 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | T934 V937 | T934-V939 HydrophobicContact CG2-CB 3.89Å; T934-V939 HydrophobicContact CG2-CG2 4.15Å; T934-V939 PolarHBondContact O-N 3.02Å; V937-V939 HydrophobicContact CB-CG2 4.23Å; V937-V939 HydrophobicContact CG1-CG2 3.92Å | ||
| 940 | V | 66.9 | Low | 75.1 | Confident | 105 Ų | 105 | 69.3 Ų | 69.3 | 64% | 0.636 | 40% | 0.404 | S | S | * | . | trans | -92.1 | 132.5 | 177 | -167.9 | 0 | 0 | 0 | 0 | 109 | G938 | G938-V940 WeakPolarHBondContact O-CG2 3.39Å; G938-V940 PolarHBondContact O-N 3.45Å | ||
| 941 | P | 69.6 | Low | 74.3 | Confident | 34 Ų | 34 | 65.8 Ų | 65.8 | 22% | 0.221 | 39% | 0.389 | C | S | . | . | trans | -65.8 | 142.5 | 175.5 | 28.8 | -35.1 | 0 | 0 | 0 | 110.7 | L549 L943 | L549-P941 HydrophobicContact CD1-CB 4.26Å; L549-P941 HydrophobicContact CD1-CG 4.23Å; L549-P941 HydrophobicContact CD2-CB 3.94Å; L549-P941 HydrophobicContact CD2-CG 4.46Å; P941-L943 PolarHBondContact O-N 2.98Å | ||
| 942 | Y | 71.6 | Confident | 73.3 | Confident | 187 Ų | 187 | 73.1 Ų | 73.1 | 73% | 0.733 | 42% | 0.418 | S | S | * | . | trans | -67.8 | 113 | 170.8 | -175.6 | -90.6 | 0 | 0 | 0 | 109.1 | L549 | L549-Y942 WeakPolarHBondContact CD2-O 3.25Š| ||
| 943 | L | 81.2 | Confident | 72.3 | Confident | 61 Ų | 61 | 71.7 Ų | 71.7 | 32% | 0.319 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 140.3 | 177.2 | -53.9 | 174.7 | 0 | 0 | 0 | 109.3 | H548 L549 P941 | H548-L943 HydrophobicContact CB-CD2 3.94Å; L549-L943 HydrophobicContact CD2-CD2 4.08Å; L549-L943 HydrophobicContact CG-CD2 4.35Å; P941-L943 PolarHBondContact O-N 2.98Å |
| 944 | L | 83.9 | Confident | 71.1 | Confident | 24 Ų | 24 | 78.9 Ų | 78.9 | 13% | 0.126 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 150.6 | 170 | -70.5 | 172.6 | 0 | 0 | 0 | 109.9 | H548 R694 L946 | H548-L944 PolarHBondContact O-N 3.19Å; R694-L944 HydrophobicContact CG-CD1 4.26Å; R694-L944 VanDerWaalsContact CZ-CB 3.44Å; R694-L944 PolarHBondContact NH2-O 3.19Å; L944-L946 PolarHBondContact O-N 2.68Å |
| 945 | P | 81.2 | Confident | 70.2 | Confident | 59 Ų | 59 | 78.4 Ų | 78.4 | 38% | 0.383 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 131.9 | -175.8 | -27.4 | 35.6 | 0 | 0 | 0 | 112.5 | R694 V962 | R694-P945 PolarHBondContact NH1-O 3.38Å; R694-P945 PolarHBondContact NH2-O 3.46Å; P945-V962 HydrophobicContact CB-CG1 4.49Å; P945-V962 HydrophobicContact CG-CG1 4.08Å |
| 946 | L | 84 | Confident | 69.3 | Low | 36 Ų | 36 | 79.9 Ų | 79.9 | 19% | 0.188 | 46% | 0.46 | C | S | . | . | trans | -128.5 | 156 | 172.2 | -69.1 | 168.7 | 0 | 0 | 0 | 107.2 | Y547 Y770 D777 M780 L944 | Y547-L946 HydrophobicContact CE1-CD1 3.86Å; Y547-L946 HydrophobicContact CE1-CD2 4.04Å; Y547-L946 HydrophobicContact CE2-CD2 4.34Å; Y770-L946 HydrophobicContact CD2-CD2 4.17Å; Y770-L946 HydrophobicContact CE2-CD2 3.96Å; D777-L946 HydrophobicContact CB-CB 4.28Å; M780-L946 HydrophobicContact SD-CB 4.36Å; L944-L946 PolarHBondContact O-N 2.68Å | ||
| 947 | S | 78.7 | Confident | 68.7 | Low | 39 Ų | 39 | 77.9 Ų | 77.9 | 27% | 0.273 | 45% | 0.445 | S | S | . | . | trans | -133.2 | 163.9 | -178.2 | -171.1 | 0 | 0 | 0 | 0 | 112 | G774 E775 C776 D777 S949 | G774-S947 PolarHBondContact O-N 3.13Å; E775-S947 CarbonylContact C-O 3.58Å; E775-S947 CarbonylContact O-C 3.1Å; E775-S947 VanDerWaalsContact O-C 3.32Å; C776-S947 WeakPolarHBondContact CA-O 3.23Å; C776-S947 PolarHBondContact N-O 2.93Å; D777-S947 PolarHBondContact N-O 3.48Å; S947-S949 VanDerWaalsContact OG-CB 3.3Å; S947-S949 WeakPolarHBondContact OG-CB 3.33Å; S947-S949 PolarHBondContact OG-N 3.23Å; S947-S949 PolarHBondContact OG-OG 3.21Å | ||
| 948 | T | 79.2 | Confident | 68.1 | Low | 60 Ų | 60 | 76.4 Ų | 76.4 | 37% | 0.368 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -112.7 | 2.5 | 165.2 | 58.4 | 0 | 0 | 0 | 0 | 112 | E775 M780 L781 G950 C951 | E775-T948 CarbonylContact O-C 3.06Å; E775-T948 VanDerWaalsContact O-C 3.28Å; E775-T948 WeakPolarHBondContact O-CA 3.48Å; M780-T948 HydrophobicContact CB-CG2 3.66Å; M780-T948 HydrophobicContact CE-CG2 4.19Å; M780-T948 HydrophobicContact SD-CG2 4.31Å; L781-T948 HydrophobicContact CD2-CG2 4.22Å; T948-G950 VanDerWaalsContact C-N 3.28Å; T948-G950 PolarHBondContact O-N 3.48Å; T948-C951 WeakPolarHBondContact O-CB 3.38Å; T948-C951 PolarHBondContact O-N 2.94Å; T948-C951 PolarHBondContact O-SG 3.4Å; T948-C951 VanDerWaalsContact O-SG 3.37Å |
| 949 | S | 70.5 | Confident | 67.7 | Low | 86 Ų | 86 | 79 Ų | 79 | 60% | 0.601 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -27.9 | -175.8 | 58.3 | 0 | 0 | 0 | 0 | 113.6 | E775 S947 | E775-S949 PolarHBondContact O-N 3.3Å; S947-S949 VanDerWaalsContact OG-CB 3.3Å; S947-S949 WeakPolarHBondContact OG-CB 3.33Å; S947-S949 PolarHBondContact OG-N 3.23Å; S947-S949 PolarHBondContact OG-OG 3.21Å |
| 950 | G | 69.2 | Low | 67.3 | Low | 4 Ų | 4 | 75.4 Ų | 75.4 | 4% | 0.041 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 3.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E775 T948 H952 I953 | E775-G950 WeakPolarHBondContact O-CA 3.33Å; E775-G950 PolarHBondContact O-N 3.16Å; T948-G950 VanDerWaalsContact C-N 3.28Å; T948-G950 PolarHBondContact O-N 3.48Å; G950-H952 PolarHBondContact O-N 3.35Å; G950-H952 VanDerWaalsContact O-N 3.15Å; G950-I953 PolarHBondContact O-N 2.87Å |
| 951 | C | 71.4 | Confident | 66.8 | Low | 41 Ų | 41 | 78.3 Ų | 78.3 | 28% | 0.277 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -15.8 | -174.5 | -70.1 | 0 | 0 | 0 | 0 | 115.1 | C776 T948 | C776-C951 WeakPolarHBondContact CA-SG 3.36Å; C776-C951 HydrophobicContact CB-CB 3.97Å; C776-C951 WeakPolarHBondContact CB-SG 3.46Å; C776-C951 WeakPolarHBondContact SG-CA 3.25Å; C776-C951 WeakPolarHBondContact SG-CB 3.45Å; C776-C951 CovalentContact SG-SG 2.05Å; C776-C951 PolarHBondContact SG-SG 3.44Å; T948-C951 WeakPolarHBondContact O-CB 3.38Å; T948-C951 PolarHBondContact O-N 2.94Å; T948-C951 PolarHBondContact O-SG 3.4Å; T948-C951 VanDerWaalsContact O-SG 3.37Å |
| 952 | H | 61.6 | Low | 66.3 | Low | 179 Ų | 179 | 78.1 Ų | 78.1 | 83% | 0.829 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | 5.6 | 179.5 | -64.4 | -67.1 | 0 | 0 | 0 | 114.1 | G950 | G950-H952 PolarHBondContact O-N 3.35Å; G950-H952 VanDerWaalsContact O-N 3.15Å |
| 953 | I | 57.1 | Low | 65.6 | Low | 73 Ų | 73 | 75.4 Ų | 75.4 | 37% | 0.374 | 44% | 0.437 | S | S | . | . | trans | -94.1 | 107.9 | -175.6 | -52.6 | 177.4 | 0 | 0 | 0 | 110.1 | G950 | G950-I953 PolarHBondContact O-N 2.87Š| ||
| 954 | N | 50.1 | Low | 64.4 | Low | 175 Ų | 175 | 75.1 Ų | 75.1 | 94% | 0.936 | 44% | 0.435 | S | S | * | . | trans | -92.3 | 94.4 | 166.9 | -81 | -16.6 | 0 | 0 | 0 | 109.1 | ||||
| 955 | G | 54.7 | Low | 63.1 | Low | 52 Ų | 52 | 76.2 Ų | 76.2 | 54% | 0.536 | 44% | 0.444 | S | S | . | . | S | Bend | trans | 164 | -175.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R957 | G955-R957 PolarHBondContact O-N 3.47Š|
| 956 | T | 51.6 | Low | 61.8 | Low | 133 Ų | 133 | 79.2 Ų | 79.2 | 82% | 0.816 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -56.5 | 122.4 | 170.7 | 34.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 957 | R | 56.2 | Low | 60.4 | Low | 68 Ų | 68 | 83.8 Ų | 83.8 | 26% | 0.257 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 132.1 | -171.3 | -68.2 | -178.2 | 178.5 | 179.4 | -4.3 | 110.3 | H771 A772 G955 | H771-R957 PolarHBondContact O-NH1 3.12Å; A772-R957 VanDerWaalsContact C-NH1 3.28Å; A772-R957 PolarHBondContact O-NH1 3.02Å; A772-R957 PolarHBondContact O-NH2 2.88Å; G955-R957 PolarHBondContact O-N 3.47Å |
| 958 | P | 58 | Low | 59.2 | Low | 75 Ų | 75 | 83 Ų | 83 | 49% | 0.487 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 154.8 | 171.6 | 27.6 | -32.3 | 0 | 0 | 0 | 110.2 | ||
| 959 | L | 58.3 | Low | 58.1 | Low | 78 Ų | 78 | 87.9 Ų | 87.9 | 41% | 0.408 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 140.2 | 174.2 | -73.6 | 167.7 | 0 | 0 | 0 | 109.9 | Y688 A691 N961 Y978 | Y688-L959 HydrophobicContact CD2-CD2 4.48Å; A691-L959 HydrophobicContact CB-CD2 3.78Å; L959-N961 PolarHBondContact O-N 3.26Å; L959-Y978 HydrophobicContact CD1-CD1 4Å |
| 960 | P | 58.7 | Low | 57 | Low | 15 Ų | 15 | 90.7 Ų | 90.7 | 10% | 0.097 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -65 | 124.3 | -176.7 | 25.8 | -32.3 | 0 | 0 | 0 | 109.7 | Y688 A691 V962 | Y688-P960 HydrophobicContact CE1-CG 4.22Å; Y688-P960 HydrophobicContact CE2-CG 4.38Å; A691-P960 HydrophobicContact CB-CG 4.28Å; P960-V962 HydrophobicContact CB-CG2 4.08Å; P960-V962 PolarHBondContact O-N 3.4Å |
| 961 | N | 56.2 | Low | 55.8 | Low | 166 Ų | 166 | 95.5 Ų | 95.5 | 89% | 0.888 | 50% | 0.504 | S | S | * | . | trans | -79.6 | 89.7 | 179.3 | -167.8 | 6.2 | 0 | 0 | 0 | 110 | L959 | L959-N961 PolarHBondContact O-N 3.26Š| ||
| 962 | V | 58.6 | Low | 54.7 | Low | 30 Ų | 30 | 95 Ų | 95 | 18% | 0.182 | 50% | 0.5 | C | S | . | . | trans | -106 | 122 | -175.4 | -174.3 | 0 | 0 | 0 | 0 | 111 | L693 P945 P960 I964 | L693-V962 HydrophobicContact CD1-CG1 3.87Å; L693-V962 HydrophobicContact CG-CG1 4.43Å; P945-V962 HydrophobicContact CB-CG1 4.49Å; P945-V962 HydrophobicContact CG-CG1 4.08Å; P960-V962 HydrophobicContact CB-CG2 4.08Å; P960-V962 PolarHBondContact O-N 3.4Å; V962-I964 PolarHBondContact O-N 3.25Å | ||
| 963 | T | 56.6 | Low | 53.9 | Low | 129 Ų | 129 | 95 Ų | 95 | 79% | 0.791 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 117.1 | 170.1 | 37.7 | 0 | 0 | 0 | 0 | 110.6 | P965 | T963-P965 WeakPolarHBondContact O-CD 3.47Š|
| 964 | I | 57.1 | Low | 53.4 | Low | 55 Ų | 55 | 94.9 Ų | 94.9 | 28% | 0.282 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 119.9 | 179.6 | -55.8 | 174.9 | 0 | 0 | 0 | 109 | V962 K968 V972 I974 | V962-I964 PolarHBondContact O-N 3.25Å; I964-K968 HydrophobicContact CG2-CB 3.69Å; I964-V972 HydrophobicContact CG2-CG2 4.38Å; I964-I974 HydrophobicContact CD1-CD1 4.43Å |
| 965 | P | 57 | Low | 52.9 | Low | 48 Ų | 48 | 88.9 Ų | 88.9 | 31% | 0.312 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -57 | 143.4 | 174.8 | -22.8 | 32.8 | 0 | 0 | 0 | 111.4 | T963 W967 K968 R969 | T963-P965 WeakPolarHBondContact O-CD 3.47Å; P965-W967 PolarHBondContact O-N 3.5Å; P965-K968 PolarHBondContact O-N 3.25Å; P965-R969 PolarHBondContact O-N 3.44Å |
| 966 | D | 52.6 | Low | 51.8 | Low | 121 Ų | 121 | 96 Ų | 96 | 65% | 0.647 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -53.6 | -35.4 | -172.5 | -69.6 | -20.3 | 0 | 0 | 0 | 114.3 | K968 R969 | D966-K968 VanDerWaalsContact C-N 3.28Å; D966-K968 PolarHBondContact O-N 3.22Å; D966-R969 PolarHBondContact O-N 3.21Å; D966-R969 IonicContact OD1-CZ 2.61Å; D966-R969 IonicContact OD1-NE 3.71Å; D966-R969 IonicContact OD1-NH2 3.35Å; D966-R969 PolarHBondContact OD1-NH2 3.05Å |
| 967 | W | 55.6 | Low | 51.2 | Low | 132 Ų | 132 | 93 Ų | 93 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -71.4 | -16.9 | 177.9 | 69 | -92.3 | 0 | 0 | 0 | 114.3 | R701 P965 | R701-W967 VanDerWaalsContact NH1-CE3 3.35Å; P965-W967 PolarHBondContact O-N 3.5Å |
| 968 | K | 53.4 | Low | 50.3 | Low | 23 Ų | 23 | 96.9 Ų | 96.9 | 10% | 0.1 | 50% | 0.498 | C | S | . | . | G | 310 helix | trans | -94.4 | -13 | 175.5 | -80.5 | -156.8 | 175 | -155.5 | 0 | 113.7 | D696 I964 P965 D966 N970 H971 V972 | D696-K968 WeakPolarHBondContact OD2-CE 3.23Å; D696-K968 IonicContact OD2-NZ 3.38Å; D696-K968 PolarHBondContact OD2-NZ 3.25Å; I964-K968 HydrophobicContact CG2-CB 3.69Å; P965-K968 PolarHBondContact O-N 3.25Å; D966-K968 VanDerWaalsContact C-N 3.28Å; D966-K968 PolarHBondContact O-N 3.22Å; K968-N970 PolarHBondContact O-N 3.19Å; K968-H971 PolarHBondContact O-N 2.89Å; K968-V972 HydrophobicContact CB-CG2 4.13Å; K968-V972 HydrophobicContact CD-CG2 4.41Å; K968-V972 WeakPolarHBondContact O-CG2 3.36Å; K968-V972 PolarHBondContact O-N 2.57Å |
| 969 | R | 54.6 | Low | 49.2 | Very low | 163 Ų | 163 | 104.6 Ų | 104.6 | 62% | 0.615 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.6 | -168 | -149.7 | -175.8 | -74.4 | -170.8 | -4.1 | 114.4 | P965 D966 | P965-R969 PolarHBondContact O-N 3.44Å; D966-R969 PolarHBondContact O-N 3.21Å; D966-R969 IonicContact OD1-CZ 2.61Å; D966-R969 IonicContact OD1-NE 3.71Å; D966-R969 IonicContact OD1-NH2 3.35Å; D966-R969 PolarHBondContact OD1-NH2 3.05Å |
| 970 | N | 47.5 | Very low | 48.8 | Very low | 145 Ų | 145 | 106 Ų | 106 | 78% | 0.775 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 0.2 | -179.4 | -65.3 | -18.5 | 0 | 0 | 0 | 115.1 | K968 | K968-N970 PolarHBondContact O-N 3.19Š|
| 971 | H | 45.7 | Very low | 48.3 | Very low | 104 Ų | 104 | 110.7 Ų | 110.7 | 48% | 0.481 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -126 | -10.1 | -170.5 | -62.4 | -63 | 0 | 0 | 0 | 114.5 | S698 K968 F973 | S698-H971 WeakPolarHBondContact CB-O 3.34Å; S698-H971 PolarHBondContact OG-O 3.49Å; K968-H971 PolarHBondContact O-N 2.89Å; H971-F973 PolarHBondContact O-N 3.42Å |
| 972 | V | 46.9 | Very low | 47.8 | Very low | 31 Ų | 31 | 107.7 Ų | 107.7 | 19% | 0.188 | 53% | 0.534 | C | S | . | . | trans | -79.7 | 119.4 | 178.8 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | L693 I964 K968 I974 | L693-V972 HydrophobicContact CD2-CG1 3.71Å; L693-V972 HydrophobicContact CD2-CG2 3.95Å; I964-V972 HydrophobicContact CG2-CG2 4.38Å; K968-V972 HydrophobicContact CB-CG2 4.13Å; K968-V972 HydrophobicContact CD-CG2 4.41Å; K968-V972 WeakPolarHBondContact O-CG2 3.36Å; K968-V972 PolarHBondContact O-N 2.57Å; V972-I974 HydrophobicContact CG1-CG1 3.99Å; V972-I974 PolarHBondContact O-N 3.19Å | ||
| 973 | F | 44.5 | Very low | 47.2 | Very low | 179 Ų | 179 | 112.2 Ų | 112.2 | 79% | 0.785 | 56% | 0.555 | S | S | * | * | trans | -78.5 | 109.3 | 170.9 | -164.8 | -90.7 | 0 | 0 | 0 | 109.6 | H971 | H971-F973 PolarHBondContact O-N 3.42Š| ||
| 974 | I | 47.3 | Very low | 46.6 | Very low | 71 Ų | 71 | 111.2 Ų | 111.2 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | trans | -103.6 | 119 | 173.2 | -54.7 | 176.6 | 0 | 0 | 0 | 107.4 | I964 V972 H976 | I964-I974 HydrophobicContact CD1-CD1 4.43Å; V972-I974 HydrophobicContact CG1-CG1 3.99Å; V972-I974 PolarHBondContact O-N 3.19Å; I974-H976 PolarHBondContact O-N 3.34Å | ||
| 975 | P | 39.7 | Very low | 45.9 | Very low | 49 Ų | 49 | 114.9 Ų | 114.9 | 32% | 0.318 | 56% | 0.557 | S | S | . | * | trans | -54.4 | 135.2 | 178.5 | -23.1 | 31.2 | 0 | 0 | 0 | 111.9 | V690 G977 Y978 | V690-P975 HydrophobicContact CG1-CG 4.27Å; P975-G977 PolarHBondContact O-N 3.18Å; P975-Y978 PolarHBondContact O-N 3.21Å | ||
| 976 | H | 31.8 | Very low | 45.1 | Very low | 200 Ų | 200 | 119.7 Ų | 119.7 | 93% | 0.926 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 108.2 | 175.4 | -93.8 | -59.6 | 0 | 0 | 0 | 109.9 | I974 | I974-H976 PolarHBondContact O-N 3.34Š|
| 977 | G | 39.2 | Very low | 44.5 | Very low | 70 Ų | 70 | 119.6 Ų | 119.6 | 72% | 0.722 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 145.3 | -14.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | P975 | P975-G977 PolarHBondContact O-N 3.18Š|
| 978 | Y | 38 | Very low | 43.6 | Very low | 150 Ų | 150 | 118.6 Ų | 118.6 | 59% | 0.588 | 58% | 0.575 | S | S | * | * | trans | -123.3 | 23.1 | -174 | -72.9 | -90.4 | 0 | 0 | 0 | 113.9 | L959 P975 | L959-Y978 HydrophobicContact CD1-CD1 4Å; P975-Y978 PolarHBondContact O-N 3.21Å | ||
| 979 | K | 34.6 | Very low | 42.7 | Very low | 238 Ų | 238 | 127.3 Ų | 127.3 | 100% | 1.035 | 62% | 0.618 | S | S | * | * | trans | -94.8 | 0 | 175.3 | -100.6 | -169.8 | 179.3 | -179.2 | 0 | 112.2 |
Retrieved 979 of 979 residues in 1596.1 ms
(Link to these results)