| 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 | 25.7 | Very low | 23.8 | Very low | 246 Ų | 246 | 143.5 Ų | 143.5 | 100% | 1.212 | 80% | 0.798 | S | S | * | * | 0 | 132.1 | 0 | -77.5 | -179.8 | -170.4 | 0 | 0 | 108 | |||||
| 2 | R | 23 | Very low | 24.5 | Very low | 246 Ų | 246 | 136.5 Ų | 136.5 | 93% | 0.928 | 76% | 0.757 | S | S | * | * | trans | 11.1 | 136 | 158.4 | -61.7 | 178.7 | -179.3 | -178.9 | -0.7 | 117.1 | ||||
| 3 | S | 22.8 | Very low | 24.6 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | cis | 174.8 | 162.5 | 9.8 | 40.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 4 | S | 23.1 | Very low | 25.3 | Very low | 104 Ų | 104 | 117.6 Ų | 117.6 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | trans | 60.9 | 92.9 | 148.9 | 58.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 5 | L | 24.6 | Very low | 25.7 | Very low | 174 Ų | 174 | 110.1 Ų | 110.1 | 91% | 0.911 | 61% | 0.612 | S | S | * | * | trans | -133.8 | 128.6 | 138.8 | -96.8 | 161.8 | 0 | 0 | 0 | 108.5 | A7 | L5-A7 PolarHBondContact O-N 3.32Š| ||
| 6 | I | 22.1 | Very low | 26 | Very low | 166 Ų | 166 | 103.3 Ų | 103.3 | 85% | 0.851 | 57% | 0.574 | S | S | * | * | trans | -69 | 114.4 | -165.8 | -66.5 | 151.8 | 0 | 0 | 0 | 109.3 | ||||
| 7 | A | 22 | Very low | 26.3 | Very low | 96 Ų | 96 | 97.5 Ų | 97.5 | 79% | 0.793 | 54% | 0.542 | S | S | * | . | trans | -108.4 | 112.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | L5 | L5-A7 PolarHBondContact O-N 3.32Š| ||
| 8 | A | 22.5 | Very low | 26.7 | Very low | 60 Ų | 60 | 93.2 Ų | 93.2 | 50% | 0.496 | 52% | 0.519 | S | S | . | . | trans | -58.7 | 146.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | F10 | A8-F10 HydrophobicContact CB-CE2 3.99Å; A8-F10 HydrophobicContact CB-CZ 4.4Å; A8-F10 PolarHBondContact O-N 3.04Å | ||
| 9 | P | 23.8 | Very low | 27.3 | Very low | 124 Ų | 124 | 91.6 Ų | 91.6 | 81% | 0.805 | 51% | 0.506 | S | S | * | . | trans | -79.4 | 116.3 | -177 | 32.1 | -29.6 | 0 | 0 | 0 | 109.3 | ||||
| 10 | F | 23.1 | Very low | 27.6 | Very low | 166 Ų | 166 | 95.6 Ų | 95.6 | 73% | 0.728 | 52% | 0.521 | S | S | * | . | trans | -113.4 | 112.3 | 169.7 | -66.9 | -75.6 | 0 | 0 | 0 | 109.2 | A8 | A8-F10 HydrophobicContact CB-CE2 3.99Å; A8-F10 HydrophobicContact CB-CZ 4.4Å; A8-F10 PolarHBondContact O-N 3.04Å | ||
| 11 | P | 29.6 | Very low | 28.4 | Very low | 98 Ų | 98 | 96 Ų | 96 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | trans | -99.1 | 168 | 163.6 | 30.9 | -17.6 | 0 | 0 | 0 | 109.7 | ||||
| 12 | L | 31.2 | Very low | 29.7 | Very low | 60 Ų | 60 | 88.2 Ų | 88.2 | 31% | 0.314 | 48% | 0.482 | S | S | . | . | cis | -168.6 | 161.1 | -10.7 | -95.2 | 160.3 | 0 | 0 | 0 | 104.5 | S361 Y369 | L12-S361 WeakPolarHBondContact CD2-OG 3.44Å; L12-Y369 HydrophobicContact CB-CD1 4.19Å; L12-Y369 HydrophobicContact CD1-CD1 4.37Å; L12-Y369 HydrophobicContact CD1-CG 4.26Å | ||
| 13 | G | 26.3 | Very low | 31.5 | Very low | 2 Ų | 2 | 79.2 Ų | 79.2 | 2% | 0.021 | 45% | 0.452 | C | S | . | . | trans | -117 | 155 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | M32 Y369 M370 A371 | G13-M32 VanDerWaalsContact CA-CG 3.47Å; G13-M32 VanDerWaalsContact CA-SD 3.58Å; G13-Y369 CarbonylContact O-C 3.55Å; G13-Y369 WeakPolarHBondContact O-CB 3.14Å; G13-M370 CarbonylContact C-O 3.55Å; G13-M370 CarbonylContact O-C 3.5Å; G13-M370 WeakPolarHBondContact O-CA 3.23Å; G13-M370 PolarHBondContact O-N 3.41Å; G13-A371 WeakPolarHBondContact O-CB 3.48Å; G13-A371 PolarHBondContact O-N 3.4Å | ||
| 14 | S | 33.8 | Very low | 34.2 | Very low | 7 Ų | 7 | 77 Ų | 77 | 5% | 0.049 | 43% | 0.432 | C | S | . | . | trans | -132.2 | 141 | -158.6 | -10.9 | 0 | 0 | 0 | 0 | 118.1 | M32 Y369 M370 | S14-M32 PolarHBondContact N-SD 3.47Å; S14-Y369 WeakPolarHBondContact OG-CD1 3.4Å; S14-Y369 WeakPolarHBondContact OG-CE1 3.37Å; S14-M370 PolarHBondContact N-O 3.06Å | ||
| 15 | I | 32.2 | Very low | 37.2 | Very low | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | trans | -107.3 | 81.9 | 157.2 | -77.2 | 168.5 | 0 | 0 | 0 | 105.5 | L17 I346 I368 M370 V384 | I15-L17 PolarHBondContact O-N 3.32Å; I15-I346 HydrophobicContact CB-CD1 4.25Å; I15-I346 HydrophobicContact CB-CG1 4.45Å; I15-I346 HydrophobicContact CD1-CD1 4.38Å; I15-I346 HydrophobicContact CD1-CG1 4.01Å; I15-I346 HydrophobicContact CG1-CD1 3.85Å; I15-I346 HydrophobicContact CG1-CG1 4.01Å; I15-I346 HydrophobicContact CG2-CB 4.05Å; I15-I346 HydrophobicContact CG2-CD1 3.66Å; I15-I346 HydrophobicContact CG2-CG1 3.62Å; I15-I346 HydrophobicContact CG2-CG2 3.33Å; I15-I368 CarbonylContact C-O 3.41Å; I15-I368 PolarHBondContact N-O 3.37Å; I15-I368 CarbonylContact O-C 3.49Å; I15-I368 WeakPolarHBondContact O-CB 3.49Å; I15-M370 HydrophobicContact CB-CB 4.35Å; I15-M370 HydrophobicContact CD1-CB 3.82Å; I15-M370 HydrophobicContact CD1-CG 4.2Å; I15-M370 HydrophobicContact CD1-SD 4.35Å; I15-M370 HydrophobicContact CG1-CB 4.03Å; I15-V384 HydrophobicContact CG2-CG2 4.3Å | ||
| 16 | N | 31.1 | Very low | 40.3 | Very low | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | trans | -76.3 | 127.3 | -169.8 | -93.9 | -20.3 | 0 | 0 | 0 | 111.6 | I25 E28 L367 I368 Y369 | N16-I25 HydrophobicContact CB-CB 4.17Å; N16-I25 HydrophobicContact CB-CD1 4.37Å; N16-I25 HydrophobicContact CB-CG1 3.99Å; N16-I25 HydrophobicContact CB-CG2 3.66Å; N16-E28 WeakPolarHBondContact ND2-CB 3.34Å; N16-L367 HydrophobicContact CB-CD2 4.33Å; N16-I368 WeakPolarHBondContact CA-O 3.49Å; N16-I368 PolarHBondContact N-O 3Å; N16-I368 PolarHBondContact OD1-O 2.93Å; N16-Y369 WeakPolarHBondContact OD1-CE2 3.43Å | ||
| 17 | L | 30.5 | Very low | 43.5 | Very low | 6 Ų | 6 | 60.3 Ų | 60.3 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | trans | -138.4 | 105.4 | 174.4 | -95.8 | 156 | 0 | 0 | 0 | 109.1 | I15 F19 H207 I208 I346 V384 T386 | I15-L17 PolarHBondContact O-N 3.32Å; L17-F19 HydrophobicContact CD2-CZ 4.5Å; L17-H207 WeakPolarHBondContact CD2-O 3.34Å; L17-I208 HydrophobicContact CD2-CG1 4.1Å; L17-I208 HydrophobicContact CG-CG1 4.26Å; L17-I346 HydrophobicContact CD1-CG2 3.56Å; L17-V384 HydrophobicContact CD1-CB 3.57Å; L17-V384 HydrophobicContact CD1-CG1 3.32Å; L17-V384 HydrophobicContact CD1-CG2 4.21Å; L17-T386 HydrophobicContact CD1-CG2 3.4Å; L17-T386 HydrophobicContact CD2-CG2 3.19Å; L17-T386 HydrophobicContact CG-CG2 3.84Å | ||
| 18 | C | 32.5 | Very low | 46.7 | Very low | 20 Ų | 20 | 58.2 Ų | 58.2 | 14% | 0.135 | 31% | 0.311 | C | S | . | . | trans | -143.3 | 140.4 | 171.1 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | E365 L367 | C18-E365 PolarHBondContact SG-O 3.35Å; C18-L367 HydrophobicContact CB-CD2 3.23Å; C18-L367 HydrophobicContact CB-CG 3.7Å | ||
| 19 | F | 38.6 | Very low | 50 | Low | 62 Ų | 62 | 55.5 Ų | 55.5 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -92.9 | 5.9 | -160.4 | -73.3 | -83 | 0 | 0 | 0 | 114.8 | L17 T386 R389 | L17-F19 HydrophobicContact CD2-CZ 4.5Å; F19-T386 WeakPolarHBondContact CE1-O 3.35Å; F19-T386 WeakPolarHBondContact CZ-O 3.44Å; F19-R389 HydrophobicContact CD1-CG 4.34Å; F19-R389 VanDerWaalsContact CD1-CZ 3.46Å; F19-R389 VanDerWaalsContact CD1-NE 3.34Å; F19-R389 HydrophobicContact CE1-CB 4.43Å; F19-R389 VanDerWaalsContact CE1-CD 3.47Å; F19-R389 HydrophobicContact CE1-CG 3.59Å; F19-R389 VanDerWaalsContact CE1-NE 3.26Å; F19-R389 HydrophobicContact CE2-CB 3.75Å; F19-R389 HydrophobicContact CE2-CG 3.82Å; F19-R389 HydrophobicContact CZ-CB 3.68Å; F19-R389 HydrophobicContact CZ-CG 3.3Å |
| 20 | H | 33.6 | Very low | 53.3 | Low | 171 Ų | 171 | 52.4 Ų | 52.4 | 79% | 0.792 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -142.3 | -1.2 | -179.6 | -79.2 | -52.2 | 0 | 0 | 0 | 116.8 | ||
| 21 | L | 45 | Very low | 56.6 | Low | 105 Ų | 105 | 48.4 Ų | 48.4 | 55% | 0.55 | 25% | 0.249 | S | C | . | . | trans | -136.7 | 69.1 | -178.5 | -77.4 | 157.8 | 0 | 0 | 0 | 111.1 | N23 L24 | L21-N23 PolarHBondContact O-N 3.32Å; L21-N23 VanDerWaalsContact O-N 3.17Å; L21-L24 HydrophobicContact CB-CB 4.06Å; L21-L24 HydrophobicContact CB-CD2 4.43Å; L21-L24 HydrophobicContact CD1-CD2 4.49Å; L21-L24 WeakPolarHBondContact O-CB 3.47Å; L21-L24 PolarHBondContact O-N 2.91Å; L21-L24 VanDerWaalsContact O-N 3.12Å | ||
| 22 | F | 53.2 | Low | 59.3 | Low | 83 Ų | 83 | 44.8 Ų | 44.8 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.8 | -24.1 | -173.7 | -67.5 | -80.3 | 0 | 0 | 0 | 115.5 | K205 T206 H207 | F22-K205 HydrophobicContact CB-CB 3.43Å; F22-K205 VanDerWaalsContact CB-CB 3.43Å; F22-K205 HydrophobicContact CB-CD 4.02Å; F22-K205 HydrophobicContact CB-CG 3.6Å; F22-K205 HydrophobicContact CD2-CD 4.28Å; F22-K205 HydrophobicContact CG-CB 4.04Å; F22-K205 HydrophobicContact CG-CD 4.41Å; F22-K205 HydrophobicContact CG-CG 4.4Å; F22-T206 PolarHBondContact O-N 3.21Å; F22-H207 HydrophobicContact CD1-CB 4.47Å; F22-H207 HydrophobicContact CE1-CB 4.11Å |
| 23 | N | 60.4 | Low | 62.1 | Low | 57 Ų | 57 | 42 Ų | 42 | 31% | 0.305 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -77.5 | -32.2 | 176.8 | -70.2 | 0.2 | 0 | 0 | 0 | 112.1 | L21 I25 L26 D27 P202 K205 | L21-N23 PolarHBondContact O-N 3.32Å; L21-N23 VanDerWaalsContact O-N 3.17Å; N23-I25 PolarHBondContact O-N 2.96Å; N23-L26 PolarHBondContact O-N 3.39Å; N23-D27 PolarHBondContact O-N 2.98Å; N23-P202 PolarHBondContact ND2-O 2.87Å; N23-P202 PolarHBondContact OD1-O 3.16Å; N23-K205 VanDerWaalsContact OD1-CG 3.31Å; N23-K205 WeakPolarHBondContact OD1-CG 3.37Å |
| 24 | L | 79.4 | Confident | 65.2 | Low | 51 Ų | 51 | 44.4 Ų | 44.4 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.9 | -34.9 | -178.8 | -176.8 | 66.5 | 0 | 0 | 0 | 111.7 | L21 L26 D27 E28 L367 | L21-L24 HydrophobicContact CB-CB 4.06Å; L21-L24 HydrophobicContact CB-CD2 4.43Å; L21-L24 HydrophobicContact CD1-CD2 4.49Å; L21-L24 WeakPolarHBondContact O-CB 3.47Å; L21-L24 PolarHBondContact O-N 2.91Å; L21-L24 VanDerWaalsContact O-N 3.12Å; L24-L26 PolarHBondContact O-N 3.04Å; L24-D27 PolarHBondContact O-N 3.26Å; L24-E28 HydrophobicContact CD1-CG 4.05Å; L24-E28 HydrophobicContact CG-CG 4.08Å; L24-E28 VanDerWaalsContact O-CB 3.29Å; L24-E28 WeakPolarHBondContact O-CB 3.46Å; L24-E28 WeakPolarHBondContact O-CG 3.39Å; L24-E28 PolarHBondContact O-N 3.47Å; L24-L367 HydrophobicContact CD2-CD1 3.99Å |
| 25 | I | 85.2 | Confident | 67.8 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.7 | -41.3 | -176.7 | -65.4 | -171.9 | 0 | 0 | 0 | 112 | N16 N23 A29 T206 A209 L367 | N16-I25 HydrophobicContact CB-CB 4.17Å; N16-I25 HydrophobicContact CB-CD1 4.37Å; N16-I25 HydrophobicContact CB-CG1 3.99Å; N16-I25 HydrophobicContact CB-CG2 3.66Å; N23-I25 PolarHBondContact O-N 2.96Å; I25-A29 WeakPolarHBondContact O-CB 3.36Å; I25-A29 PolarHBondContact O-N 3.41Å; I25-T206 HydrophobicContact CB-CG2 4.36Å; I25-T206 WeakPolarHBondContact CD1-O 3.35Å; I25-T206 HydrophobicContact CG2-CG2 3.91Å; I25-A209 HydrophobicContact CG2-CB 3.87Å; I25-L367 HydrophobicContact CG1-CD2 4.48Å |
| 26 | L | 89.9 | Confident | 70.2 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.1 | -43.3 | -178.9 | -168.6 | 68 | 0 | 0 | 0 | 111.3 | N23 L24 E28 A29 Q30 T56 W193 L199 F204 T206 | N23-L26 PolarHBondContact O-N 3.39Å; L24-L26 PolarHBondContact O-N 3.04Å; L26-E28 VanDerWaalsContact C-N 3.33Å; L26-E28 PolarHBondContact O-N 3.46Å; L26-A29 WeakPolarHBondContact O-CB 3.39Å; L26-A29 PolarHBondContact O-N 3.39Å; L26-A29 VanDerWaalsContact O-N 3.17Å; L26-Q30 PolarHBondContact O-N 2.95Å; L26-T56 HydrophobicContact CD1-CG2 4.07Å; L26-W193 HydrophobicContact CD1-CH2 4.29Å; L26-W193 HydrophobicContact CD1-CZ3 3.86Å; L26-W193 HydrophobicContact CG-CZ3 4.13Å; L26-L199 HydrophobicContact CD1-CD2 4.44Å; L26-L199 WeakPolarHBondContact CD2-O 3.39Å; L26-F204 HydrophobicContact CD2-CB 4.05Å; L26-F204 HydrophobicContact CD2-CD1 3.72Å; L26-F204 HydrophobicContact CD2-CE1 4.41Å; L26-F204 HydrophobicContact CD2-CG 3.98Å; L26-T206 HydrophobicContact CB-CG2 4.46Å |
| 27 | D | 89.6 | Confident | 72.7 | Confident | 87 Ų | 87 | 57.3 Ų | 57.3 | 47% | 0.465 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 177.2 | -66.2 | -21.9 | 0 | 0 | 0 | 111.2 | N23 L24 A29 Q30 I31 | N23-D27 PolarHBondContact O-N 2.98Å; L24-D27 PolarHBondContact O-N 3.26Å; D27-A29 PolarHBondContact O-N 3.11Å; D27-Q30 WeakPolarHBondContact O-CB 3.46Å; D27-Q30 PolarHBondContact O-N 3.02Å; D27-I31 WeakPolarHBondContact O-CG1 3.35Å; D27-I31 PolarHBondContact O-N 3.39Å |
| 28 | E | 89.9 | Confident | 75.1 | Confident | 53 Ų | 53 | 62 Ų | 62 | 25% | 0.248 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66 | -37.2 | 176.2 | -70 | -75.5 | 140.9 | 0 | 0 | 112.1 | N16 L24 L26 Q30 I31 M32 Y369 | N16-E28 WeakPolarHBondContact ND2-CB 3.34Å; L24-E28 HydrophobicContact CD1-CG 4.05Å; L24-E28 HydrophobicContact CG-CG 4.08Å; L24-E28 VanDerWaalsContact O-CB 3.29Å; L24-E28 WeakPolarHBondContact O-CB 3.46Å; L24-E28 WeakPolarHBondContact O-CG 3.39Å; L24-E28 PolarHBondContact O-N 3.47Å; L26-E28 VanDerWaalsContact C-N 3.33Å; L26-E28 PolarHBondContact O-N 3.46Å; E28-Q30 VanDerWaalsContact C-N 3.31Å; E28-Q30 PolarHBondContact O-N 2.86Å; E28-I31 PolarHBondContact O-N 2.82Å; E28-M32 VanDerWaalsContact O-CB 3.3Å; E28-M32 WeakPolarHBondContact O-CB 3.29Å; E28-M32 PolarHBondContact O-N 2.85Å; E28-Y369 WeakPolarHBondContact OE2-CE1 3.41Å; E28-Y369 PolarHBondContact OE2-OH 3.31Å |
| 29 | A | 91.2 | Very high | 77.1 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.7 | -36.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I25 L26 D27 L33 W193 A209 V211 | I25-A29 WeakPolarHBondContact O-CB 3.36Å; I25-A29 PolarHBondContact O-N 3.41Å; L26-A29 WeakPolarHBondContact O-CB 3.39Å; L26-A29 PolarHBondContact O-N 3.39Å; L26-A29 VanDerWaalsContact O-N 3.17Å; D27-A29 PolarHBondContact O-N 3.11Å; A29-L33 WeakPolarHBondContact O-CB 3.23Å; A29-L33 PolarHBondContact O-N 3.28Å; A29-W193 HydrophobicContact CB-CH2 4.37Å; A29-A209 HydrophobicContact CB-CB 3.7Å; A29-V211 HydrophobicContact CB-CG1 3.85Å |
| 30 | Q | 92.9 | Very high | 78.6 | Confident | 59 Ų | 59 | 60.5 Ų | 60.5 | 28% | 0.276 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.3 | -54.5 | 170.9 | 169.5 | 171.1 | 5.1 | 0 | 0 | 111.8 | L26 D27 E28 M32 L33 E34 W193 | L26-Q30 PolarHBondContact O-N 2.95Å; D27-Q30 WeakPolarHBondContact O-CB 3.46Å; D27-Q30 PolarHBondContact O-N 3.02Å; E28-Q30 VanDerWaalsContact C-N 3.31Å; E28-Q30 PolarHBondContact O-N 2.86Å; Q30-M32 VanDerWaalsContact C-N 3.25Å; Q30-M32 PolarHBondContact O-N 3.25Å; Q30-L33 PolarHBondContact O-N 2.89Å; Q30-L33 VanDerWaalsContact O-N 3.14Å; Q30-E34 HydrophobicContact CG-CG 4.34Å; Q30-E34 WeakPolarHBondContact CG-OE1 3.44Å; Q30-E34 PolarHBondContact NE2-OE1 3.23Å; Q30-E34 WeakPolarHBondContact O-CG 3.45Å; Q30-E34 PolarHBondContact O-N 3.3Å; Q30-W193 VanDerWaalsContact CA-CE2 3.41Å; Q30-W193 HydrophobicContact CB-CD2 3.66Å; Q30-W193 HydrophobicContact CB-CE3 3.98Å; Q30-W193 HydrophobicContact CB-CG 4.2Å; Q30-W193 HydrophobicContact CB-CH2 4.03Å; Q30-W193 HydrophobicContact CB-CZ2 3.74Å; Q30-W193 HydrophobicContact CB-CZ3 4.14Å; Q30-W193 HydrophobicContact CG-CD2 3.76Å; Q30-W193 HydrophobicContact CG-CE3 4.44Å; Q30-W193 HydrophobicContact CG-CG 3.72Å; Q30-W193 HydrophobicContact CG-CZ2 4.47Å |
| 31 | I | 91.5 | Very high | 80.5 | Confident | 81 Ų | 81 | 53 Ų | 53 | 42% | 0.415 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55.2 | -46.3 | -179.5 | -67.4 | 165.7 | 0 | 0 | 0 | 110.2 | D27 E28 E34 R35 | D27-I31 WeakPolarHBondContact O-CG1 3.35Å; D27-I31 PolarHBondContact O-N 3.39Å; E28-I31 PolarHBondContact O-N 2.82Å; I31-E34 PolarHBondContact O-N 3.15Å; I31-R35 HydrophobicContact CG2-CG 4.44Å; I31-R35 WeakPolarHBondContact O-CG 3.11Å; I31-R35 PolarHBondContact O-N 3.46Å |
| 32 | M | 87 | Confident | 82 | Confident | 22 Ų | 22 | 49.2 Ų | 49.2 | 11% | 0.108 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59 | -48.9 | 177.3 | 159.9 | -168.8 | 178.2 | 0 | 0 | 112.8 | G13 S14 E28 Q30 E34 R35 M36 V211 | G13-M32 VanDerWaalsContact CA-CG 3.47Å; G13-M32 VanDerWaalsContact CA-SD 3.58Å; S14-M32 PolarHBondContact N-SD 3.47Å; E28-M32 VanDerWaalsContact O-CB 3.3Å; E28-M32 WeakPolarHBondContact O-CB 3.29Å; E28-M32 PolarHBondContact O-N 2.85Å; Q30-M32 VanDerWaalsContact C-N 3.25Å; Q30-M32 PolarHBondContact O-N 3.25Å; M32-E34 VanDerWaalsContact C-N 3.33Å; M32-E34 PolarHBondContact O-N 3.25Å; M32-R35 PolarHBondContact O-N 2.8Å; M32-M36 WeakPolarHBondContact O-CG 3.5Å; M32-M36 PolarHBondContact O-N 3.36Å; M32-V211 HydrophobicContact CE-CG2 3.31Å; M32-V211 HydrophobicContact CG-CG2 3.98Å; M32-V211 HydrophobicContact SD-CG2 3.59Å; M32-V211 VanDerWaalsContact SD-CG2 3.59Å |
| 33 | L | 90.3 | Very high | 83 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -43.4 | -178.5 | -176 | 61.1 | 0 | 0 | 0 | 110.5 | A29 Q30 R35 M36 A52 A189 L192 W193 V211 A213 | A29-L33 WeakPolarHBondContact O-CB 3.23Å; A29-L33 PolarHBondContact O-N 3.28Å; Q30-L33 PolarHBondContact O-N 2.89Å; Q30-L33 VanDerWaalsContact O-N 3.14Å; L33-R35 VanDerWaalsContact C-N 3.27Å; L33-R35 PolarHBondContact O-N 3.25Å; L33-M36 WeakPolarHBondContact O-CB 3.45Å; L33-M36 PolarHBondContact O-N 2.92Å; L33-A52 HydrophobicContact CD2-CB 4.32Å; L33-A189 HydrophobicContact CG-CB 4.05Å; L33-A189 WeakPolarHBondContact O-CB 3.35Å; L33-L192 HydrophobicContact CD2-CB 4.46Å; L33-L192 HydrophobicContact CD2-CD2 3.49Å; L33-L192 VanDerWaalsContact CD2-CD2 3.49Å; L33-W193 HydrophobicContact CB-CZ2 4.27Å; L33-W193 HydrophobicContact CD2-CZ2 3.94Å; L33-V211 HydrophobicContact CB-CB 4.24Å; L33-V211 HydrophobicContact CB-CG1 4.45Å; L33-V211 HydrophobicContact CB-CG2 4.11Å; L33-V211 HydrophobicContact CD1-CB 4.16Å; L33-V211 HydrophobicContact CD1-CG2 4.23Å; L33-V211 HydrophobicContact CD2-CB 4.45Å; L33-A213 HydrophobicContact CD1-CB 3.83Å |
| 34 | E | 90.8 | Very high | 83.6 | Confident | 52 Ų | 52 | 44.1 Ų | 44.1 | 24% | 0.243 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.1 | -36.3 | 176.1 | -70.8 | -177.1 | 177.5 | 0 | 0 | 112.4 | Q30 I31 M32 M36 H37 F190 | Q30-E34 HydrophobicContact CG-CG 4.34Å; Q30-E34 WeakPolarHBondContact CG-OE1 3.44Å; Q30-E34 PolarHBondContact NE2-OE1 3.23Å; Q30-E34 WeakPolarHBondContact O-CG 3.45Å; Q30-E34 PolarHBondContact O-N 3.3Å; I31-E34 PolarHBondContact O-N 3.15Å; M32-E34 VanDerWaalsContact C-N 3.33Å; M32-E34 PolarHBondContact O-N 3.25Å; E34-M36 PolarHBondContact O-N 2.89Å; E34-H37 WeakPolarHBondContact O-CB 3.45Å; E34-H37 PolarHBondContact O-N 3.01Å; E34-F190 HydrophobicContact CB-CD1 3.97Å; E34-F190 HydrophobicContact CB-CE1 3.56Å; E34-F190 HydrophobicContact CB-CZ 4.08Å; E34-F190 HydrophobicContact CG-CD1 3.46Å; E34-F190 VanDerWaalsContact CG-CD1 3.46Å; E34-F190 HydrophobicContact CG-CE1 3.61Å; E34-F190 HydrophobicContact CG-CG 4.24Å; E34-F190 HydrophobicContact CG-CZ 4.48Å |
| 35 | R | 88 | Confident | 83.5 | Confident | 167 Ų | 167 | 44.1 Ų | 44.1 | 63% | 0.63 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -70.1 | -15 | 174.9 | -68.9 | -72.9 | 178.3 | -176.7 | -0.9 | 114 | I31 M32 L33 H37 H38 | I31-R35 HydrophobicContact CG2-CG 4.44Å; I31-R35 WeakPolarHBondContact O-CG 3.11Å; I31-R35 PolarHBondContact O-N 3.46Å; M32-R35 PolarHBondContact O-N 2.8Å; L33-R35 VanDerWaalsContact C-N 3.27Å; L33-R35 PolarHBondContact O-N 3.25Å; R35-H37 VanDerWaalsContact C-N 3.34Å; R35-H38 PolarHBondContact O-CE1 3.24Å; R35-H38 PolarHBondContact O-ND1 2.86Å |
| 36 | M | 83.6 | Confident | 83.2 | Confident | 36 Ų | 36 | 48 Ų | 48 | 18% | 0.177 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 3 | 177 | -74 | -69.9 | -63.2 | 0 | 0 | 113.4 | M32 L33 E34 H38 R39 G40 S372 | M32-M36 WeakPolarHBondContact O-CG 3.5Å; M32-M36 PolarHBondContact O-N 3.36Å; L33-M36 WeakPolarHBondContact O-CB 3.45Å; L33-M36 PolarHBondContact O-N 2.92Å; E34-M36 PolarHBondContact O-N 2.89Å; M36-H38 PolarHBondContact O-N 3.31Å; M36-R39 HydrophobicContact CE-CB 4.2Å; M36-R39 HydrophobicContact CE-CG 4.36Å; M36-R39 PolarHBondContact O-N 3.37Å; M36-G40 PolarHBondContact O-N 2.65Å; M36-S372 WeakPolarHBondContact CE-OG 3.15Å |
| 37 | H | 83.6 | Confident | 82.9 | Confident | 81 Ų | 81 | 51.4 Ų | 51.4 | 38% | 0.375 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -57.2 | -34.2 | -176.3 | -175.9 | 61.9 | 0 | 0 | 0 | 113.7 | E34 R35 R39 G40 A189 F190 | E34-H37 WeakPolarHBondContact O-CB 3.45Å; E34-H37 PolarHBondContact O-N 3.01Å; R35-H37 VanDerWaalsContact C-N 3.34Å; H37-R39 PolarHBondContact O-N 3.48Å; H37-G40 PolarHBondContact O-N 3.29Å; H37-A189 HydrophobicContact CB-CB 4.29Å; H37-F190 HydrophobicContact CB-CE2 3.77Å; H37-F190 HydrophobicContact CB-CZ 4.45Å; H37-F190 AromaticContact CD2-CE2 3.88Å; H37-F190 AromaticContact CG-CE2 3.63Å |
| 38 | H | 80 | Confident | 82.6 | Confident | 103 Ų | 103 | 47.3 Ų | 47.3 | 48% | 0.477 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -65.6 | -19.1 | 177.3 | 62.1 | -67.6 | 0 | 0 | 0 | 114 | R35 M36 E373 | R35-H38 PolarHBondContact O-CE1 3.24Å; R35-H38 PolarHBondContact O-ND1 2.86Å; M36-H38 PolarHBondContact O-N 3.31Å; H38-E373 IonicContact CE1-OE1 3.16Å; H38-E373 IonicContact NE2-OE1 3.56Å; H38-E373 PolarHBondContact NE2-OE1 3.35Å |
| 39 | R | 76.3 | Confident | 82.4 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 11% | 0.113 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -100 | 1.1 | 174.9 | -51.7 | -170.7 | 82.4 | -140.9 | 6.4 | 112.7 | M36 H37 F215 S372 E992 D993 | M36-R39 HydrophobicContact CE-CB 4.2Å; M36-R39 HydrophobicContact CE-CG 4.36Å; M36-R39 PolarHBondContact O-N 3.37Å; H37-R39 PolarHBondContact O-N 3.48Å; R39-F215 WeakPolarHBondContact O-CD2 3.35Å; R39-S372 PolarHBondContact NH1-O 3.42Å; R39-S372 PolarHBondContact NH1-OG 3.1Å; R39-E992 HydrophobicContact CB-CB 4.48Å; R39-D993 IonicContact NH2-OD1 3.14Å; R39-D993 PolarHBondContact NH2-OD1 3.27Å |
| 40 | G | 70.1 | Confident | 82.1 | Confident | 22 Ų | 22 | 45 Ų | 45 | 23% | 0.227 | 23% | 0.225 | C | C | . | . | trans | -96.6 | 163.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | M36 H37 | M36-G40 PolarHBondContact O-N 2.65Å; H37-G40 PolarHBondContact O-N 3.29Å | ||
| 41 | A | 72.9 | Confident | 82 | Confident | 13 Ų | 13 | 42.3 Ų | 42.3 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | trans | -126.4 | 156.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D50 F215 | A41-D50 WeakPolarHBondContact CB-OD2 3.35Å; A41-D50 PolarHBondContact O-N 3.43Å; A41-D50 VanDerWaalsContact O-N 3.12Å; A41-F215 HydrophobicContact CB-CD1 3.76Å; A41-F215 HydrophobicContact CB-CD2 3.9Å; A41-F215 HydrophobicContact CB-CE1 3.49Å; A41-F215 VanDerWaalsContact CB-CE1 3.49Å; A41-F215 HydrophobicContact CB-CE2 3.67Å; A41-F215 HydrophobicContact CB-CG 3.95Å; A41-F215 HydrophobicContact CB-CZ 3.45Å; A41-F215 VanDerWaalsContact CB-CZ 3.45Å | ||
| 42 | C | 76.9 | Confident | 82.1 | Confident | 26 Ų | 26 | 38.5 Ų | 38.5 | 18% | 0.176 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -100.2 | 160.5 | 170.9 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | S48 K1029 | C42-S48 CarbonylContact C-O 3.38Å; C42-S48 WeakPolarHBondContact CA-O 3.33Å; C42-K1029 VanDerWaalsContact O-CE 3.23Å; C42-K1029 WeakPolarHBondContact O-CE 3.5Å |
| 43 | S | 73.3 | Confident | 82.5 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | trans | -73.1 | -170.4 | 174.3 | -54.6 | 0 | 0 | 0 | 0 | 110.9 | D45 D46 S48 | S43-D45 PolarHBondContact O-N 3.02Å; S43-D45 VanDerWaalsContact O-N 3.15Å; S43-D46 PolarHBondContact O-N 3.22Å; S43-D46 VanDerWaalsContact O-N 3.13Å; S43-S48 WeakPolarHBondContact CB-O 3.36Å; S43-S48 PolarHBondContact N-O 2.98Å; S43-S48 PolarHBondContact OG-O 3.42Å | ||
| 44 | C | 74 | Confident | 82.8 | Confident | 29 Ų | 29 | 37.3 Ų | 37.3 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.3 | -179.5 | 57.4 | 0 | 0 | 0 | 0 | 114.7 | D1074 R1078 | C44-D1074 HydrophobicContact CB-CB 4.31Å; C44-R1078 PolarHBondContact O-NH2 2.83Å |
| 45 | D | 77.1 | Confident | 83 | Confident | 52 Ų | 52 | 34.9 Ų | 34.9 | 28% | 0.278 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 1.5 | 177.8 | 65.5 | -4 | 0 | 0 | 0 | 114 | S43 D47 S48 K125 V126 | S43-D45 PolarHBondContact O-N 3.02Å; S43-D45 VanDerWaalsContact O-N 3.15Å; D45-D47 PolarHBondContact O-N 3.04Å; D45-D47 PolarHBondContact OD1-N 3.41Å; D45-S48 VanDerWaalsContact OD1-CB 3.27Å; D45-S48 WeakPolarHBondContact OD1-CB 3.13Å; D45-S48 PolarHBondContact OD1-N 3.3Å; D45-S48 PolarHBondContact OD1-OG 3.14Å; D45-S48 PolarHBondContact OD2-OG 3.2Å; D45-K125 PolarHBondContact OD2-N 3.48Å; D45-V126 HydrophobicContact CB-CG2 4.32Å; D45-V126 PolarHBondContact OD2-N 3.24Å |
| 46 | D | 77.6 | Confident | 83.4 | Confident | 82 Ų | 82 | 27 Ų | 27 | 44% | 0.439 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 54.7 | 12.2 | -175.9 | -67.8 | -72.6 | 0 | 0 | 0 | 114.4 | S43 K1031 R1078 | S43-D46 PolarHBondContact O-N 3.22Å; S43-D46 VanDerWaalsContact O-N 3.13Å; D46-K1031 IonicContact OD1-NZ 2.65Å; D46-K1031 PolarHBondContact OD1-NZ 3.42Å; D46-R1078 IonicContact OD1-NH1 3.94Å; D46-R1078 IonicContact OD2-CZ 2.98Å; D46-R1078 IonicContact OD2-NH1 3.5Å; D46-R1078 PolarHBondContact OD2-NH1 2.95Å; D46-R1078 VanDerWaalsContact OD2-NH1 3.16Å; D46-R1078 IonicContact OD2-NH2 3.63Å; D46-R1078 PolarHBondContact OD2-NH2 3.28Å |
| 47 | D | 84.1 | Confident | 83.9 | Confident | 77 Ų | 77 | 25.4 Ų | 25.4 | 41% | 0.412 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -126.5 | -33.6 | -178.2 | -173.5 | 30.7 | 0 | 0 | 0 | 113.2 | D45 G49 G124 T188 Q191 | D45-D47 PolarHBondContact O-N 3.04Å; D45-D47 PolarHBondContact OD1-N 3.41Å; D47-G49 PolarHBondContact O-N 2.94Å; D47-G124 WeakPolarHBondContact OD2-CA 3.48Å; D47-T188 WeakPolarHBondContact O-CG2 3.24Å; D47-Q191 PolarHBondContact O-NE2 3.34Å; D47-Q191 PolarHBondContact O-OE1 3.39Å; D47-Q191 PolarHBondContact OD1-NE2 3.4Å |
| 48 | S | 83.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -80.5 | 107.4 | 176.7 | -62 | 0 | 0 | 0 | 0 | 110.4 | C42 S43 D45 G124 V126 A127 | C42-S48 CarbonylContact C-O 3.38Å; C42-S48 WeakPolarHBondContact CA-O 3.33Å; S43-S48 WeakPolarHBondContact CB-O 3.36Å; S43-S48 PolarHBondContact N-O 2.98Å; S43-S48 PolarHBondContact OG-O 3.42Å; D45-S48 VanDerWaalsContact OD1-CB 3.27Å; D45-S48 WeakPolarHBondContact OD1-CB 3.13Å; D45-S48 PolarHBondContact OD1-N 3.3Å; D45-S48 PolarHBondContact OD1-OG 3.14Å; D45-S48 PolarHBondContact OD2-OG 3.2Å; S48-G124 WeakPolarHBondContact OG-CA 3.02Å; S48-V126 PolarHBondContact OG-N 2.88Å; S48-A127 PolarHBondContact OG-N 3.07Å; S48-A127 VanDerWaalsContact OG-N 3.17Å |
| 49 | G | 85.7 | Confident | 85.1 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | -67.8 | 161 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D47 G51 Q186 | D47-G49 PolarHBondContact O-N 2.94Å; G49-G51 VanDerWaalsContact C-N 3.28Å; G49-G51 PolarHBondContact O-N 2.87Å; G49-Q186 WeakPolarHBondContact O-CG 3.46Å; G49-Q186 PolarHBondContact O-NE2 2.99Å |
| 50 | D | 85.8 | Confident | 85.9 | Confident | 7 Ų | 7 | 18.9 Ų | 18.9 | 4% | 0.037 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -73 | -16.2 | 179.1 | -81.8 | -34.6 | 0 | 0 | 0 | 115.1 | A41 R214 S216 K1029 | A41-D50 WeakPolarHBondContact CB-OD2 3.35Å; A41-D50 PolarHBondContact O-N 3.43Å; A41-D50 VanDerWaalsContact O-N 3.12Å; D50-R214 WeakPolarHBondContact CB-O 3.34Å; D50-S216 PolarHBondContact OD1-OG 3.22Å; D50-S216 PolarHBondContact OD2-N 2.9Å; D50-S216 PolarHBondContact OD2-OG 2.95Å; D50-K1029 IonicContact OD1-NZ 3.79Å; D50-K1029 PolarHBondContact OD1-NZ 2.99Å; D50-K1029 IonicContact OD2-NZ 2.89Å; D50-K1029 PolarHBondContact OD2-NZ 2.98Å |
| 51 | G | 90.7 | Very high | 87 | Confident | 3 Ų | 3 | 22.7 Ų | 22.7 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | trans | 142.1 | 132.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | G49 G185 F187 R214 | G49-G51 VanDerWaalsContact C-N 3.28Å; G49-G51 PolarHBondContact O-N 2.87Å; G51-G185 WeakPolarHBondContact CA-O 3.33Å; G51-F187 CarbonylContact C-O 3.34Å; G51-R214 WeakPolarHBondContact O-CB 3.24Å; G51-R214 PolarHBondContact O-N 3.44Å | ||
| 52 | A | 93 | Very high | 88 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 157.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L33 K184 G185 F187 H212 | L33-A52 HydrophobicContact CD2-CB 4.32Å; A52-K184 WeakPolarHBondContact O-CA 3.46Å; A52-G185 PolarHBondContact N-O 2.95Å; A52-G185 PolarHBondContact O-N 2.87Å; A52-G185 VanDerWaalsContact O-N 3.1Å; A52-G185 VanDerWaalsContact O-O 3.1Å; A52-F187 HydrophobicContact CB-CB 4.22Å; A52-H212 VanDerWaalsContact CA-O 3.24Å; A52-H212 WeakPolarHBondContact CA-O 3.21Å |
| 53 | G | 95.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.7 | 170.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y183 V211 H212 Q227 | G53-Y183 CarbonylContact C-O 3.49Å; G53-Y183 WeakPolarHBondContact CA-O 3.33Å; G53-V211 VanDerWaalsContact O-CA 3.31Å; G53-V211 WeakPolarHBondContact O-CA 3.32Å; G53-H212 PolarHBondContact N-O 3.49Å; G53-H212 VanDerWaalsContact N-O 3.08Å; G53-H212 PolarHBondContact O-N 3.42Å; G53-Q227 VanDerWaalsContact CA-O 3.31Å; G53-Q227 WeakPolarHBondContact CA-O 3.44Å; G53-Q227 PolarHBondContact N-O 3.19Å; G53-Q227 VanDerWaalsContact N-O 3.17Å |
| 54 | V | 96 | Very high | 89.9 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 133.6 | 176.3 | 63.7 | 0 | 0 | 0 | 0 | 110.2 | T56 Y183 L192 W193 L199 A209 M210 V211 | V54-T56 HydrophobicContact CG2-CG2 3.76Å; V54-Y183 PolarHBondContact N-O 3.48Å; V54-Y183 PolarHBondContact O-N 3.38Å; V54-L192 HydrophobicContact CB-CD2 4.26Å; V54-L192 HydrophobicContact CG1-CD2 4.14Å; V54-W193 HydrophobicContact CB-CH2 4.27Å; V54-W193 HydrophobicContact CG1-CH2 4.28Å; V54-W193 HydrophobicContact CG2-CH2 4.32Å; V54-L199 HydrophobicContact CG1-CD1 4.01Å; V54-L199 HydrophobicContact CG1-CD2 4.08Å; V54-A209 HydrophobicContact CG2-CB 4.47Å; V54-M210 CarbonylContact C-O 3.55Å; V54-M210 WeakPolarHBondContact CA-O 3.21Å; V54-V211 HydrophobicContact CB-CG1 4Å; V54-V211 HydrophobicContact CG2-CG1 3.71Å |
| 55 | M | 96.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 134.3 | 164.8 | -180 | -172.8 | -68.3 | 0 | 0 | 108.4 | T180 I181 V182 A209 M210 P228 Y229 R230 C341 | M55-T180 HydrophobicContact SD-CG2 4.35Å; M55-I181 WeakPolarHBondContact CA-O 3.34Å; M55-V182 HydrophobicContact CB-CG2 4.07Å; M55-V182 HydrophobicContact CE-CG2 3.75Å; M55-V182 HydrophobicContact CG-CG2 3.96Å; M55-A209 CarbonylContact O-C 3.59Å; M55-A209 WeakPolarHBondContact O-CA 3.34Å; M55-M210 HydrophobicContact CB-CB 4.35Å; M55-M210 HydrophobicContact CB-CE 3.95Å; M55-M210 HydrophobicContact CE-CE 3.58Å; M55-M210 HydrophobicContact CG-CE 4.38Å; M55-M210 PolarHBondContact N-O 2.88Å; M55-M210 PolarHBondContact O-N 3.37Å; M55-M210 HydrophobicContact SD-CE 3.56Å; M55-M210 VanDerWaalsContact SD-CE 3.56Å; M55-P228 HydrophobicContact CB-CB 4.06Å; M55-P228 HydrophobicContact CB-CG 3.97Å; M55-P228 HydrophobicContact CE-CB 4.2Å; M55-Y229 WeakPolarHBondContact CE-O 3.48Å; M55-R230 WeakPolarHBondContact CE-O 3.16Å; M55-C341 HydrophobicContact SD-CB 3.75Å |
| 56 | T | 95.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 164.1 | 179 | 59.4 | 0 | 0 | 0 | 0 | 111 | L26 V54 T180 I181 F204 T206 I208 | L26-T56 HydrophobicContact CD1-CG2 4.07Å; V54-T56 HydrophobicContact CG2-CG2 3.76Å; T56-T180 WeakPolarHBondContact O-CA 3.25Å; T56-I181 PolarHBondContact N-O 3.02Å; T56-I181 PolarHBondContact O-N 3.3Å; T56-I181 VanDerWaalsContact OG1-CG2 3.28Å; T56-I181 WeakPolarHBondContact OG1-CG2 3.05Å; T56-F204 HydrophobicContact CG2-CE1 4.08Å; T56-T206 HydrophobicContact CG2-CG2 4.22Å; T56-I208 WeakPolarHBondContact CA-O 3.38Å |
| 57 | G | 93.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 150.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | P59 D179 T206 | G57-P59 VanDerWaalsContact O-CD 3.28Å; G57-P59 WeakPolarHBondContact O-CD 3.39Å; G57-D179 WeakPolarHBondContact CA-O 3.17Å; G57-T206 PolarHBondContact N-OG1 3.04Å |
| 58 | I | 94.7 | Very high | 93 | Very high | 26 Ų | 26 | 23.2 Ų | 23.2 | 13% | 0.133 | 12% | 0.116 | C | C | . | . | trans | -62.4 | 120.1 | -178.7 | -73.6 | 169.1 | 0 | 0 | 0 | 110.9 | H60 Y63 Y80 T82 S177 A178 D179 I181 | I58-H60 VanDerWaalsContact C-N 3.31Å; I58-H60 PolarHBondContact O-N 3.05Å; I58-Y63 HydrophobicContact CG2-CD2 3.91Å; I58-Y63 HydrophobicContact CG2-CE2 4Å; I58-Y80 HydrophobicContact CG2-CE2 4.16Å; I58-Y80 VanDerWaalsContact CG2-OH 3.26Å; I58-Y80 WeakPolarHBondContact CG2-OH 3.25Å; I58-T82 HydrophobicContact CD1-CG2 3.89Å; I58-T82 HydrophobicContact CG1-CG2 4.15Å; I58-S177 WeakPolarHBondContact CD1-O 3.46Å; I58-A178 WeakPolarHBondContact CD1-O 3.48Å; I58-D179 PolarHBondContact N-O 3.2Å; I58-I181 HydrophobicContact CG1-CB 4.3Å | ||
| 59 | P | 94.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | trans | -79.7 | 76.5 | -179.8 | 36.1 | -41.4 | 0 | 0 | 0 | 110.7 | G57 E61 F62 Y63 F204 | G57-P59 VanDerWaalsContact O-CD 3.28Å; G57-P59 WeakPolarHBondContact O-CD 3.39Å; P59-E61 PolarHBondContact O-N 3.3Å; P59-F62 HydrophobicContact CB-CB 4.04Å; P59-F62 HydrophobicContact CG-CB 4.37Å; P59-F62 HydrophobicContact CG-CD1 4.12Å; P59-F62 WeakPolarHBondContact O-CB 3.48Å; P59-F62 PolarHBondContact O-N 3.45Å; P59-F62 VanDerWaalsContact O-N 3.13Å; P59-Y63 HydrophobicContact CG-CD2 4.13Å; P59-Y63 HydrophobicContact CG-CE1 4.25Å; P59-Y63 HydrophobicContact CG-CE2 3.74Å; P59-Y63 PolarHBondContact O-N 3.22Å; P59-Y63 VanDerWaalsContact O-N 3.09Å; P59-F204 HydrophobicContact CB-CD1 3.84Å; P59-F204 HydrophobicContact CB-CD2 4.21Å; P59-F204 HydrophobicContact CB-CE1 3.95Å; P59-F204 HydrophobicContact CB-CE2 4.35Å; P59-F204 HydrophobicContact CB-CG 3.97Å; P59-F204 HydrophobicContact CB-CZ 4.22Å; P59-F204 HydrophobicContact CG-CD1 4.12Å; P59-F204 HydrophobicContact CG-CD2 3.89Å; P59-F204 HydrophobicContact CG-CE1 3.83Å; P59-F204 HydrophobicContact CG-CE2 3.62Å; P59-F204 HydrophobicContact CG-CG 4.15Å; P59-F204 HydrophobicContact CG-CZ 3.58Å | ||
| 60 | H | 93.9 | Very high | 93.5 | Very high | 50 Ų | 50 | 34.3 Ų | 34.3 | 23% | 0.231 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -53 | -48.2 | -172.9 | 175.5 | 69 | 0 | 0 | 0 | 113.7 | I58 F62 Y63 A64 P75 P77 Y80 | I58-H60 VanDerWaalsContact C-N 3.31Å; I58-H60 PolarHBondContact O-N 3.05Å; H60-F62 VanDerWaalsContact C-N 3.29Å; H60-F62 PolarHBondContact O-N 2.75Å; H60-Y63 PolarHBondContact O-N 2.96Å; H60-A64 VanDerWaalsContact O-CB 3.3Å; H60-A64 WeakPolarHBondContact O-CB 3.3Å; H60-A64 PolarHBondContact O-N 3.38Å; H60-P75 PolarHBondContact CE1-O 2.87Å; H60-P77 HydrophobicContact CB-CG 4.01Å; H60-Y80 AromaticContact ND1-CE1 3.51Å; H60-Y80 AromaticContact ND1-CZ 3.78Å; H60-Y80 PolarHBondContact ND1-OH 3.34Å; H60-Y80 VanDerWaalsContact ND1-OH 3.16Å |
| 61 | E | 92.4 | Very high | 93.9 | Very high | 101 Ų | 101 | 41.6 Ų | 41.6 | 47% | 0.472 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.6 | -40.9 | -179.7 | -69.4 | -177.8 | -167.9 | 0 | 0 | 112.2 | P59 N65 K205 | P59-E61 PolarHBondContact O-N 3.3Å; E61-N65 WeakPolarHBondContact O-CB 3.5Å; E61-N65 PolarHBondContact O-N 3.49Å; E61-N65 VanDerWaalsContact O-N 3.12Å; E61-K205 IonicContact OE1-NZ 2.64Å; E61-K205 PolarHBondContact OE1-NZ 2.7Å; E61-K205 WeakPolarHBondContact OE2-CE 3.35Å; E61-K205 IonicContact OE2-NZ 3.53Å; E61-K205 PolarHBondContact OE2-NZ 3.15Å |
| 62 | F | 94.9 | Very high | 94 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.2 | -51.8 | 176.7 | 171.1 | -111.9 | 0 | 0 | 0 | 111.4 | P59 H60 A64 N65 E66 D198 S201 L203 F204 | P59-F62 HydrophobicContact CB-CB 4.04Å; P59-F62 HydrophobicContact CG-CB 4.37Å; P59-F62 HydrophobicContact CG-CD1 4.12Å; P59-F62 WeakPolarHBondContact O-CB 3.48Å; P59-F62 PolarHBondContact O-N 3.45Å; P59-F62 VanDerWaalsContact O-N 3.13Å; H60-F62 VanDerWaalsContact C-N 3.29Å; H60-F62 PolarHBondContact O-N 2.75Å; F62-A64 PolarHBondContact O-N 2.86Å; F62-N65 PolarHBondContact O-N 3.16Å; F62-E66 HydrophobicContact CD2-CG 4Å; F62-E66 HydrophobicContact CE1-CG 4.11Å; F62-E66 HydrophobicContact CE2-CG 3.48Å; F62-E66 VanDerWaalsContact CE2-CG 3.48Å; F62-E66 HydrophobicContact CZ-CG 3.55Å; F62-E66 WeakPolarHBondContact O-CG 3.4Å; F62-E66 PolarHBondContact O-N 3.29Å; F62-D198 HydrophobicContact CE1-CB 3.8Å; F62-D198 HydrophobicContact CZ-CB 3.83Å; F62-D198 WeakPolarHBondContact CZ-OD1 3.28Å; F62-S201 WeakPolarHBondContact CD2-OG 3.18Å; F62-L203 HydrophobicContact CB-CB 4.14Å; F62-L203 HydrophobicContact CD2-CB 4.28Å; F62-F204 AromaticContact CD1-CD2 3.99Å; F62-F204 HydrophobicContact CD1-CD2 3.99Å; F62-F204 HydrophobicContact CD1-CE2 4.46Å; F62-F204 HydrophobicContact CE1-CD2 4.27Å; F62-F204 HydrophobicContact CG-CD2 4.45Å |
| 63 | Y | 96 | Very high | 94 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.2 | -39 | -178.6 | -68.2 | -33.3 | 0 | 0 | 0 | 113 | I58 P59 H60 N65 E66 L67 T82 Q136 F138 Y183 | I58-Y63 HydrophobicContact CG2-CD2 3.91Å; I58-Y63 HydrophobicContact CG2-CE2 4Å; P59-Y63 HydrophobicContact CG-CD2 4.13Å; P59-Y63 HydrophobicContact CG-CE1 4.25Å; P59-Y63 HydrophobicContact CG-CE2 3.74Å; P59-Y63 PolarHBondContact O-N 3.22Å; P59-Y63 VanDerWaalsContact O-N 3.09Å; H60-Y63 PolarHBondContact O-N 2.96Å; Y63-N65 VanDerWaalsContact C-N 3.26Å; Y63-N65 PolarHBondContact O-N 2.84Å; Y63-E66 PolarHBondContact O-N 2.88Å; Y63-L67 WeakPolarHBondContact O-CB 3.2Å; Y63-L67 WeakPolarHBondContact O-CG 3.19Å; Y63-L67 PolarHBondContact O-N 2.88Å; Y63-T82 HydrophobicContact CE2-CG2 4.04Å; Y63-Q136 VanDerWaalsContact CZ-NE2 3.28Å; Y63-Q136 PolarHBondContact OH-NE2 3.32Å; Y63-F138 HydrophobicContact CD1-CZ 4.13Å; Y63-F138 AromaticContact CD2-CE1 3.98Å; Y63-F138 HydrophobicContact CD2-CE1 3.98Å; Y63-F138 HydrophobicContact CD2-CZ 4.24Å; Y63-F138 HydrophobicContact CG-CE1 4Å; Y63-F138 AromaticContact CG-CZ 3.96Å; Y63-F138 HydrophobicContact CG-CZ 3.96Å; Y63-Y183 PolarHBondContact OH-OH 3.31Å |
| 64 | A | 94.6 | Very high | 93.9 | Very high | 29 Ų | 29 | 49.1 Ų | 49.1 | 24% | 0.24 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | H60 F62 K68 L74 | H60-A64 VanDerWaalsContact O-CB 3.3Å; H60-A64 WeakPolarHBondContact O-CB 3.3Å; H60-A64 PolarHBondContact O-N 3.38Å; F62-A64 PolarHBondContact O-N 2.86Å; A64-K68 WeakPolarHBondContact O-CB 3.23Å; A64-K68 PolarHBondContact O-N 3.12Å; A64-L74 HydrophobicContact CB-CB 4.33Å; A64-L74 HydrophobicContact CB-CD2 4.38Å |
| 65 | N | 94.3 | Very high | 93.8 | Very high | 68 Ų | 68 | 50.1 Ų | 50.1 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.6 | -43.3 | 177 | -170 | 54.9 | 0 | 0 | 0 | 112.8 | E61 F62 Y63 K68 K69 L203 | E61-N65 WeakPolarHBondContact O-CB 3.5Å; E61-N65 PolarHBondContact O-N 3.49Å; E61-N65 VanDerWaalsContact O-N 3.12Å; F62-N65 PolarHBondContact O-N 3.16Å; Y63-N65 VanDerWaalsContact C-N 3.26Å; Y63-N65 PolarHBondContact O-N 2.84Å; N65-K68 PolarHBondContact O-N 2.61Å; N65-K69 PolarHBondContact O-N 3.44Å; N65-L203 HydrophobicContact CB-CD1 4.2Å; N65-L203 WeakPolarHBondContact ND2-CD1 3.49Å |
| 66 | E | 94.2 | Very high | 93.5 | Very high | 39 Ų | 39 | 54.1 Ų | 54.1 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 178.3 | -69.8 | -52.3 | 127.6 | 0 | 0 | 112.7 | F62 Y63 K69 | F62-E66 HydrophobicContact CD2-CG 4Å; F62-E66 HydrophobicContact CE1-CG 4.11Å; F62-E66 HydrophobicContact CE2-CG 3.48Å; F62-E66 VanDerWaalsContact CE2-CG 3.48Å; F62-E66 HydrophobicContact CZ-CG 3.55Å; F62-E66 WeakPolarHBondContact O-CG 3.4Å; F62-E66 PolarHBondContact O-N 3.29Å; Y63-E66 PolarHBondContact O-N 2.88Å; E66-K69 WeakPolarHBondContact O-CB 3.44Å; E66-K69 PolarHBondContact O-N 3.32Å; E66-K69 IonicContact OE1-NZ 2.88Å; E66-K69 PolarHBondContact OE1-NZ 3.32Å; E66-K69 IonicContact OE2-NZ 2.83Å; E66-K69 PolarHBondContact OE2-NZ 2.75Å |
| 67 | L | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.8 | -29.7 | 178.5 | -68 | 179.1 | 0 | 0 | 0 | 112.6 | Y63 K69 L70 N71 I72 L74 R114 F138 | Y63-L67 WeakPolarHBondContact O-CB 3.2Å; Y63-L67 WeakPolarHBondContact O-CG 3.19Å; Y63-L67 PolarHBondContact O-N 2.88Å; L67-K69 PolarHBondContact O-N 2.91Å; L67-L70 HydrophobicContact CD2-CD1 4.34Å; L67-L70 CarbonylContact O-C 3.55Å; L67-L70 WeakPolarHBondContact O-CA 3.46Å; L67-L70 WeakPolarHBondContact O-CB 3.41Å; L67-L70 PolarHBondContact O-N 3.18Å; L67-N71 PolarHBondContact O-N 3.23Å; L67-I72 CarbonylContact C-O 3.54Å; L67-I72 VanDerWaalsContact C-O 3.25Å; L67-I72 HydrophobicContact CB-CB 4.24Å; L67-I72 HydrophobicContact CB-CG2 4.37Å; L67-I72 PolarHBondContact O-N 2.87Å; L67-L74 HydrophobicContact CD1-CB 4.21Å; L67-L74 HydrophobicContact CD1-CD1 3.68Å; L67-L74 HydrophobicContact CD1-CD2 4.24Å; L67-L74 HydrophobicContact CD1-CG 4.26Å; L67-R114 HydrophobicContact CD2-CB 4.5Å; L67-F138 HydrophobicContact CD1-CD1 3.95Å; L67-F138 HydrophobicContact CD1-CD2 4Å; L67-F138 HydrophobicContact CD1-CE1 3.94Å; L67-F138 HydrophobicContact CD1-CE2 3.99Å; L67-F138 HydrophobicContact CD1-CG 3.98Å; L67-F138 HydrophobicContact CD1-CZ 3.95Å; L67-F138 HydrophobicContact CD2-CD2 4.27Å; L67-F138 HydrophobicContact CD2-CE2 4.05Å; L67-F138 HydrophobicContact CG-CE2 4.37Å; L67-F138 HydrophobicContact CG-CZ 4.45Å |
| 68 | K | 93.7 | Very high | 92.8 | Very high | 153 Ų | 153 | 62.8 Ų | 62.8 | 67% | 0.665 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.3 | -31.9 | 172.4 | -172 | 174.5 | -176.7 | 178.3 | 0 | 112.3 | A64 N65 L70 N71 I72 | A64-K68 WeakPolarHBondContact O-CB 3.23Å; A64-K68 PolarHBondContact O-N 3.12Å; N65-K68 PolarHBondContact O-N 2.61Å; K68-L70 PolarHBondContact O-N 2.97Å; K68-N71 PolarHBondContact O-N 2.74Å; K68-I72 PolarHBondContact N-O 2.7Å |
| 69 | K | 91.5 | Very high | 92.6 | Very high | 131 Ų | 131 | 63.4 Ų | 63.4 | 57% | 0.57 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21.1 | 171.9 | -60.1 | 172 | -168.1 | 170.6 | 0 | 112.9 | N65 E66 L67 | N65-K69 PolarHBondContact O-N 3.44Å; E66-K69 WeakPolarHBondContact O-CB 3.44Å; E66-K69 PolarHBondContact O-N 3.32Å; E66-K69 IonicContact OE1-NZ 2.88Å; E66-K69 PolarHBondContact OE1-NZ 3.32Å; E66-K69 IonicContact OE2-NZ 2.83Å; E66-K69 PolarHBondContact OE2-NZ 2.75Å; L67-K69 PolarHBondContact O-N 2.91Å |
| 70 | L | 89.3 | Confident | 92.7 | Very high | 103 Ų | 103 | 63.5 Ų | 63.5 | 54% | 0.539 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 13.6 | 174.8 | -59.5 | 173.8 | 0 | 0 | 0 | 112.4 | L67 K68 I72 | L67-L70 HydrophobicContact CD2-CD1 4.34Å; L67-L70 CarbonylContact O-C 3.55Å; L67-L70 WeakPolarHBondContact O-CA 3.46Å; L67-L70 WeakPolarHBondContact O-CB 3.41Å; L67-L70 PolarHBondContact O-N 3.18Å; K68-L70 PolarHBondContact O-N 2.97Å; L70-I72 HydrophobicContact CB-CD1 4.07Å; L70-I72 PolarHBondContact O-N 2.87Å |
| 71 | N | 92.6 | Very high | 92.8 | Very high | 160 Ų | 160 | 61.1 Ų | 61.1 | 86% | 0.856 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 28.2 | -174.8 | -62.1 | -42.6 | 0 | 0 | 0 | 114.5 | L67 K68 | L67-N71 PolarHBondContact O-N 3.23Å; K68-N71 PolarHBondContact O-N 2.74Å |
| 72 | I | 93.6 | Very high | 93 | Very high | 45 Ų | 45 | 56.3 Ų | 56.3 | 23% | 0.231 | 31% | 0.306 | C | S | . | . | trans | -108.7 | 124 | 177.1 | -65.4 | 158.9 | 0 | 0 | 0 | 108.6 | L67 K68 L70 I111 C112 | L67-I72 CarbonylContact C-O 3.54Å; L67-I72 VanDerWaalsContact C-O 3.25Å; L67-I72 HydrophobicContact CB-CB 4.24Å; L67-I72 HydrophobicContact CB-CG2 4.37Å; L67-I72 PolarHBondContact O-N 2.87Å; K68-I72 PolarHBondContact N-O 2.7Å; L70-I72 HydrophobicContact CB-CD1 4.07Å; L70-I72 PolarHBondContact O-N 2.87Å; I72-I111 HydrophobicContact CG2-CG2 3.61Å; I72-C112 HydrophobicContact CD1-CB 3.6Å | ||
| 73 | A | 92.8 | Very high | 93.1 | Very high | 93 Ų | 93 | 56.1 Ų | 56.1 | 77% | 0.769 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -86.5 | 119.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 74 | L | 93.7 | Very high | 93.2 | Very high | 23 Ų | 23 | 56.1 Ų | 56.1 | 12% | 0.12 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 132.1 | 178 | -170.2 | 65.9 | 0 | 0 | 0 | 110 | A64 L67 Y80 I111 F138 | A64-L74 HydrophobicContact CB-CB 4.33Å; A64-L74 HydrophobicContact CB-CD2 4.38Å; L67-L74 HydrophobicContact CD1-CB 4.21Å; L67-L74 HydrophobicContact CD1-CD1 3.68Å; L67-L74 HydrophobicContact CD1-CD2 4.24Å; L67-L74 HydrophobicContact CD1-CG 4.26Å; L74-Y80 HydrophobicContact CD1-CD1 4.1Å; L74-Y80 HydrophobicContact CD1-CD2 3.95Å; L74-Y80 HydrophobicContact CD1-CE1 4.22Å; L74-Y80 HydrophobicContact CD1-CE2 4.08Å; L74-Y80 HydrophobicContact CD1-CG 3.97Å; L74-Y80 HydrophobicContact CD2-CE1 3.87Å; L74-Y80 HydrophobicContact CD2-CE2 4.03Å; L74-Y80 HydrophobicContact CG-CD1 4.09Å; L74-Y80 HydrophobicContact CG-CE1 3.85Å; L74-Y80 HydrophobicContact CG-CE2 4.37Å; L74-Y80 HydrophobicContact CG-CG 4.45Å; L74-I111 HydrophobicContact CD1-CD1 4.44Å; L74-F138 HydrophobicContact CD1-CD1 3.75Å; L74-F138 HydrophobicContact CD1-CE1 4.3Å; L74-F138 HydrophobicContact CD1-CG 4.46Å |
| 75 | P | 93.1 | Very high | 93.2 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 14% | 0.143 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 165.2 | 174.5 | -21.6 | 32 | 0 | 0 | 0 | 112.9 | H60 Y80 I111 L140 | H60-P75 PolarHBondContact CE1-O 2.87Å; P75-Y80 HydrophobicContact CB-CD1 4.39Å; P75-Y80 WeakPolarHBondContact O-CD1 3.33Å; P75-Y80 VanDerWaalsContact O-CE1 3.32Å; P75-Y80 WeakPolarHBondContact O-CE1 3.45Å; P75-I111 HydrophobicContact CG-CD1 3.93Å; P75-L140 HydrophobicContact CB-CD1 4.18Å; P75-L140 HydrophobicContact CG-CD1 3.44Å; P75-L140 VanDerWaalsContact CG-CD1 3.44Å |
| 76 | P | 91.4 | Very high | 93.3 | Very high | 84 Ų | 84 | 51.7 Ų | 51.7 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 157.4 | 175.9 | -23.8 | 34.1 | 0 | 0 | 0 | 113.3 | S79 Y80 | P76-S79 WeakPolarHBondContact O-CB 3.36Å; P76-S79 PolarHBondContact O-N 3.27Å; P76-Y80 WeakPolarHBondContact O-CD1 3.32Å |
| 77 | P | 88.2 | Confident | 93.3 | Very high | 76 Ų | 76 | 49.9 Ų | 49.9 | 49% | 0.494 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 144.8 | 173.2 | -23.7 | 31.8 | 0 | 0 | 0 | 112 | H60 S79 | H60-P77 HydrophobicContact CB-CG 4.01Å; P77-S79 PolarHBondContact O-N 2.91Å; P77-S79 VanDerWaalsContact O-N 3.12Å |
| 78 | R | 85.4 | Confident | 93 | Very high | 110 Ų | 110 | 53.7 Ų | 53.7 | 42% | 0.415 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 1.3 | -175.6 | -58.5 | -176 | 169.2 | 173.5 | 2.1 | 116.2 | E146 D179 E387 | R78-E146 IonicContact NH1-OE2 2.71Å; R78-D179 IonicContact NE-OD1 3.32Å; R78-D179 PolarHBondContact NE-OD1 3.46Å; R78-E387 IonicContact CZ-OE1 3.97Å; R78-E387 IonicContact NH1-OE1 3.34Å; R78-E387 IonicContact NH2-OE1 2.66Å; R78-E387 PolarHBondContact NH2-OE1 3.39Å |
| 79 | S | 91.4 | Very high | 92.6 | Very high | 39 Ų | 39 | 52.8 Ų | 52.8 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -96.5 | -0.2 | 169.4 | -51.6 | 0 | 0 | 0 | 0 | 112.9 | P76 P77 C141 | P76-S79 WeakPolarHBondContact O-CB 3.36Å; P76-S79 PolarHBondContact O-N 3.27Å; P77-S79 PolarHBondContact O-N 2.91Å; P77-S79 VanDerWaalsContact O-N 3.12Å; S79-C141 PolarHBondContact O-N 2.8Å |
| 80 | Y | 94.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 156.8 | 176.3 | 71.4 | -87.6 | 0 | 0 | 0 | 110.2 | I58 H60 L74 P75 P76 T82 F138 I139 | I58-Y80 HydrophobicContact CG2-CE2 4.16Å; I58-Y80 VanDerWaalsContact CG2-OH 3.26Å; I58-Y80 WeakPolarHBondContact CG2-OH 3.25Å; H60-Y80 AromaticContact ND1-CE1 3.51Å; H60-Y80 AromaticContact ND1-CZ 3.78Å; H60-Y80 PolarHBondContact ND1-OH 3.34Å; H60-Y80 VanDerWaalsContact ND1-OH 3.16Å; L74-Y80 HydrophobicContact CD1-CD1 4.1Å; L74-Y80 HydrophobicContact CD1-CD2 3.95Å; L74-Y80 HydrophobicContact CD1-CE1 4.22Å; L74-Y80 HydrophobicContact CD1-CE2 4.08Å; L74-Y80 HydrophobicContact CD1-CG 3.97Å; L74-Y80 HydrophobicContact CD2-CE1 3.87Å; L74-Y80 HydrophobicContact CD2-CE2 4.03Å; L74-Y80 HydrophobicContact CG-CD1 4.09Å; L74-Y80 HydrophobicContact CG-CE1 3.85Å; L74-Y80 HydrophobicContact CG-CE2 4.37Å; L74-Y80 HydrophobicContact CG-CG 4.45Å; P75-Y80 HydrophobicContact CB-CD1 4.39Å; P75-Y80 WeakPolarHBondContact O-CD1 3.33Å; P75-Y80 VanDerWaalsContact O-CE1 3.32Å; P75-Y80 WeakPolarHBondContact O-CE1 3.45Å; P76-Y80 WeakPolarHBondContact O-CD1 3.32Å; Y80-T82 HydrophobicContact CE2-CG2 4.47Å; Y80-F138 HydrophobicContact CD2-CD1 4.12Å; Y80-F138 HydrophobicContact CE2-CD1 4.16Å; Y80-F138 HydrophobicContact CE2-CE1 4.32Å; Y80-I139 CarbonylContact C-O 3.53Å; Y80-I139 WeakPolarHBondContact CA-O 3.4Å; Y80-I139 VanDerWaalsContact CB-O 3.24Å; Y80-I139 WeakPolarHBondContact CB-O 3.43Å |
| 81 | A | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 150.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | F138 I139 L153 S177 A178 | A81-F138 WeakPolarHBondContact O-CA 3.28Å; A81-I139 PolarHBondContact N-O 2.97Å; A81-I139 PolarHBondContact O-N 2.98Å; A81-L153 HydrophobicContact CB-CD1 3.69Å; A81-L153 HydrophobicContact CB-CD2 3.62Å; A81-L153 HydrophobicContact CB-CG 4.32Å; A81-S177 WeakPolarHBondContact CA-O 3.26Å; A81-A178 HydrophobicContact CB-CB 4.46Å |
| 82 | T | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 157.4 | 172.7 | -170.1 | 0 | 0 | 0 | 0 | 111.3 | I58 Y63 Y80 Q136 I137 F138 L176 S177 I181 | I58-T82 HydrophobicContact CD1-CG2 3.89Å; I58-T82 HydrophobicContact CG1-CG2 4.15Å; Y63-T82 HydrophobicContact CE2-CG2 4.04Å; Y80-T82 HydrophobicContact CE2-CG2 4.47Å; T82-Q136 WeakPolarHBondContact OG1-CG 3.27Å; T82-Q136 PolarHBondContact OG1-NE2 3.16Å; T82-I137 WeakPolarHBondContact CA-O 3.34Å; T82-I137 WeakPolarHBondContact CB-O 3.41Å; T82-I137 PolarHBondContact OG1-O 3.2Å; T82-F138 HydrophobicContact CG2-CE1 4.25Å; T82-F138 WeakPolarHBondContact OG1-CE1 3.48Å; T82-L176 WeakPolarHBondContact O-CA 3.27Å; T82-S177 PolarHBondContact N-O 3.39Å; T82-S177 PolarHBondContact O-N 3.41Å; T82-I181 HydrophobicContact CG2-CD1 4.21Å |
| 83 | G | 97 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 146.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q136 I137 S175 | G83-Q136 VanDerWaalsContact O-CA 3.24Å; G83-Q136 WeakPolarHBondContact O-CA 3.36Å; G83-I137 PolarHBondContact N-O 3.38Å; G83-I137 PolarHBondContact O-N 3.38Å; G83-S175 CarbonylContact C-O 3.25Å; G83-S175 WeakPolarHBondContact CA-O 3.49Å |
| 84 | I | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 131.5 | 174.7 | -69.3 | 169.5 | 0 | 0 | 0 | 109.3 | F86 I134 Q136 C174 S175 I181 V182 Y183 | I84-F86 HydrophobicContact CG2-CD1 4.4Å; I84-F86 HydrophobicContact CG2-CE1 4.06Å; I84-I134 HydrophobicContact CG2-CG2 3.82Å; I84-Q136 HydrophobicContact CG1-CB 4.48Å; I84-Q136 HydrophobicContact CG1-CG 4.47Å; I84-C174 HydrophobicContact CB-CB 4.34Å; I84-C174 HydrophobicContact CG2-CB 4.42Å; I84-C174 WeakPolarHBondContact O-CB 3.44Å; I84-C174 PolarHBondContact O-N 3.49Å; I84-S175 PolarHBondContact N-O 3.06Å; I84-I181 HydrophobicContact CD1-CD1 4.06Å; I84-I181 HydrophobicContact CD1-CG1 4.08Å; I84-I181 HydrophobicContact CG1-CD1 3.88Å; I84-I181 HydrophobicContact CG1-CG1 4.45Å; I84-V182 WeakPolarHBondContact CD1-O 3.18Å; I84-Y183 HydrophobicContact CD1-CD1 3.79Å; I84-Y183 HydrophobicContact CD1-CD2 4.15Å; I84-Y183 HydrophobicContact CD1-CE1 3.72Å; I84-Y183 HydrophobicContact CD1-CE2 4.05Å; I84-Y183 HydrophobicContact CD1-CG 4.03Å |
| 85 | F | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.5 | -177.8 | -72.8 | -116.6 | 0 | 0 | 0 | 109.4 | F87 M99 W113 I134 R135 I137 Y172 I173 L176 | F85-F87 HydrophobicContact CB-CD2 3.98Å; F85-F87 HydrophobicContact CB-CE2 3.5Å; F85-F87 VanDerWaalsContact CB-CE2 3.5Å; F85-F87 HydrophobicContact CB-CZ 4.13Å; F85-F87 HydrophobicContact CD1-CE2 4.11Å; F85-F87 AromaticContact CD1-CZ 3.87Å; F85-F87 HydrophobicContact CD1-CZ 3.87Å; F85-F87 HydrophobicContact CG-CE2 4.1Å; F85-F87 HydrophobicContact CG-CZ 4.34Å; F85-M99 HydrophobicContact CE1-CE 4.26Å; F85-M99 HydrophobicContact CE1-CG 4.28Å; F85-M99 HydrophobicContact CE1-SD 3.89Å; F85-M99 HydrophobicContact CZ-CE 3.76Å; F85-M99 HydrophobicContact CZ-CG 4.45Å; F85-M99 HydrophobicContact CZ-SD 4.01Å; F85-W113 HydrophobicContact CD1-CH2 4.42Å; F85-W113 HydrophobicContact CD2-CH2 4.44Å; F85-W113 HydrophobicContact CD2-CZ3 4.3Å; F85-W113 HydrophobicContact CG-CH2 4.34Å; F85-W113 HydrophobicContact CG-CZ3 4.32Å; F85-I134 WeakPolarHBondContact O-CA 3.43Å; F85-R135 PolarHBondContact N-O 2.84Å; F85-R135 PolarHBondContact O-N 2.9Å; F85-I137 HydrophobicContact CD2-CG2 4.21Å; F85-I137 HydrophobicContact CE2-CG2 3.56Å; F85-I137 HydrophobicContact CZ-CG2 4.25Å; F85-Y172 WeakPolarHBondContact CA-O 3.38Å; F85-I173 HydrophobicContact CD1-CD1 4.44Å; F85-I173 HydrophobicContact CD1-CG1 3.85Å; F85-I173 HydrophobicContact CD1-CG2 4.48Å; F85-I173 HydrophobicContact CD2-CG2 4.43Å; F85-I173 HydrophobicContact CE1-CB 4.3Å; F85-I173 HydrophobicContact CE1-CD1 3.63Å; F85-I173 HydrophobicContact CE1-CG1 3.5Å; F85-I173 HydrophobicContact CE1-CG2 4.02Å; F85-I173 HydrophobicContact CE2-CG2 3.92Å; F85-I173 HydrophobicContact CZ-CB 4.46Å; F85-I173 HydrophobicContact CZ-CD1 4.04Å; F85-I173 HydrophobicContact CZ-CG1 4.06Å; F85-I173 HydrophobicContact CZ-CG2 3.7Å; F85-L176 HydrophobicContact CE2-CD1 4.41Å; F85-L176 HydrophobicContact CZ-CD2 4.45Å |
| 86 | F | 95.2 | Very high | 91.8 | Very high | 5 Ų | 5 | 51.6 Ų | 51.6 | 2% | 0.022 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 116.7 | 167.9 | -66.5 | -12 | 0 | 0 | 0 | 108.1 | I84 P132 I134 C171 Y172 C174 K184 W223 | I84-F86 HydrophobicContact CG2-CD1 4.4Å; I84-F86 HydrophobicContact CG2-CE1 4.06Å; F86-P132 HydrophobicContact CB-CB 3.69Å; F86-P132 HydrophobicContact CB-CG 3.83Å; F86-P132 HydrophobicContact CD1-CG 3.88Å; F86-P132 HydrophobicContact CD2-CG 3.91Å; F86-P132 HydrophobicContact CE1-CG 4.41Å; F86-P132 HydrophobicContact CE2-CG 4.43Å; F86-P132 HydrophobicContact CG-CB 4.06Å; F86-P132 HydrophobicContact CG-CG 3.6Å; F86-I134 HydrophobicContact CD1-CG1 3.88Å; F86-I134 HydrophobicContact CE1-CD1 4.16Å; F86-I134 HydrophobicContact CE1-CG1 3.85Å; F86-C171 CarbonylContact O-C 3.56Å; F86-C171 WeakPolarHBondContact O-CA 3.39Å; F86-Y172 AromaticContact CD2-CD1 3.93Å; F86-Y172 HydrophobicContact CD2-CD1 3.93Å; F86-Y172 HydrophobicContact CE2-CD1 4.49Å; F86-Y172 PolarHBondContact N-O 3.27Å; F86-Y172 PolarHBondContact O-N 3.21Å; F86-C174 WeakPolarHBondContact CE2-SG 3.43Å; F86-C174 WeakPolarHBondContact CZ-SG 3.24Å; F86-K184 HydrophobicContact CE2-CG 4.49Å; F86-K184 HydrophobicContact CZ-CG 4.27Å; F86-K184 WeakPolarHBondContact CZ-O 3.23Å; F86-W223 HydrophobicContact CD2-CB 4.28Å; F86-W223 HydrophobicContact CE2-CB 4.04Å; F86-W223 HydrophobicContact CZ-CE3 4.39Å |
| 87 | F | 94.1 | Very high | 92 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 150.8 | 174.8 | -72.1 | -76.9 | 0 | 0 | 0 | 111.2 | F85 Q96 W113 L133 R135 V169 G170 C171 | F85-F87 HydrophobicContact CB-CD2 3.98Å; F85-F87 HydrophobicContact CB-CE2 3.5Å; F85-F87 VanDerWaalsContact CB-CE2 3.5Å; F85-F87 HydrophobicContact CB-CZ 4.13Å; F85-F87 HydrophobicContact CD1-CE2 4.11Å; F85-F87 AromaticContact CD1-CZ 3.87Å; F85-F87 HydrophobicContact CD1-CZ 3.87Å; F85-F87 HydrophobicContact CG-CE2 4.1Å; F85-F87 HydrophobicContact CG-CZ 4.34Å; F87-Q96 HydrophobicContact CE2-CG 4.07Å; F87-Q96 HydrophobicContact CZ-CG 4.18Å; F87-W113 AromaticContact CE2-CH2 3.99Å; F87-W113 HydrophobicContact CE2-CH2 3.99Å; F87-W113 AromaticContact CE2-CZ3 3.98Å; F87-W113 HydrophobicContact CE2-CZ3 3.98Å; F87-W113 HydrophobicContact CZ-CH2 4.06Å; F87-L133 HydrophobicContact CB-CB 4.37Å; F87-L133 PolarHBondContact N-O 3.32Å; F87-L133 WeakPolarHBondContact O-CB 3.48Å; F87-L133 PolarHBondContact O-N 2.75Å; F87-R135 HydrophobicContact CD2-CB 4.11Å; F87-R135 HydrophobicContact CD2-CG 4.17Å; F87-R135 HydrophobicContact CE2-CB 4.12Å; F87-R135 HydrophobicContact CE2-CG 4.49Å; F87-V169 HydrophobicContact CD1-CG1 4.48Å; F87-G170 WeakPolarHBondContact CA-O 3.45Å; F87-C171 HydrophobicContact CD1-CB 4Å; F87-C171 HydrophobicContact CE1-CB 3.92Å; F87-C171 WeakPolarHBondContact CE1-SG 3.32Å |
| 88 | D | 88.8 | Confident | 92.2 | Very high | 80 Ų | 80 | 49.9 Ų | 49.9 | 43% | 0.428 | 23% | 0.227 | S | C | . | . | trans | -62.1 | 140.6 | 162.4 | -78.1 | -15.6 | 0 | 0 | 0 | 111.1 | F90 N91 Y92 G170 | D88-F90 VanDerWaalsContact C-N 3.27Å; D88-F90 PolarHBondContact O-N 2.98Å; D88-N91 WeakPolarHBondContact CB-OD1 3.47Å; D88-N91 PolarHBondContact O-OD1 2.86Å; D88-Y92 WeakPolarHBondContact O-CB 3.44Å; D88-Y92 PolarHBondContact O-N 3.35Å; D88-G170 PolarHBondContact N-O 2.74Å; D88-G170 VanDerWaalsContact OD2-CA 3.23Å; D88-G170 WeakPolarHBondContact OD2-CA 3.43Å; D88-G170 PolarHBondContact OD2-N 3.08Å; D88-G170 VanDerWaalsContact OD2-N 3.16Å | ||
| 89 | R | 85.2 | Confident | 92.7 | Very high | 133 Ų | 133 | 44.7 Ų | 44.7 | 50% | 0.502 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -30.7 | -172.7 | -67.2 | -177.2 | -175.6 | -155.2 | -3.4 | 113.7 | E131 L133 | R89-E131 PolarHBondContact NE-O 2.75Å; R89-E131 VanDerWaalsContact NE-O 3.16Å; R89-E131 PolarHBondContact NH2-O 3.36Å; R89-E131 VanDerWaalsContact NH2-O 3.09Å; R89-E131 IonicContact NH2-OE2 2.75Å; R89-E131 PolarHBondContact NH2-OE2 2.88Å; R89-E131 VanDerWaalsContact NH2-OE2 3.15Å; R89-L133 HydrophobicContact CG-CB 4.41Å |
| 90 | F | 84.2 | Confident | 92.9 | Very high | 208 Ų | 208 | 44.9 Ų | 44.9 | 91% | 0.912 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -24.2 | -168.1 | -62 | -74 | 0 | 0 | 0 | 114.5 | D88 | D88-F90 VanDerWaalsContact C-N 3.27Å; D88-F90 PolarHBondContact O-N 2.98Å |
| 91 | N | 85.3 | Confident | 92.9 | Very high | 43 Ų | 43 | 49 Ų | 49 | 23% | 0.23 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131 | 14.2 | -169.3 | 52.9 | 1.2 | 0 | 0 | 0 | 112.7 | D88 M93 K94 G95 G168 V169 | D88-N91 WeakPolarHBondContact CB-OD1 3.47Å; D88-N91 PolarHBondContact O-OD1 2.86Å; N91-M93 VanDerWaalsContact C-N 3.3Å; N91-M93 PolarHBondContact O-N 3.3Å; N91-K94 PolarHBondContact O-N 2.91Å; N91-G95 PolarHBondContact O-N 3.07Å; N91-G168 PolarHBondContact ND2-O 3.25Å; N91-V169 HydrophobicContact CB-CG1 4.47Å; N91-V169 HydrophobicContact CB-CG2 4.28Å |
| 92 | Y | 89.9 | Confident | 92.9 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 25% | 0.247 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.8 | -34.9 | -177.4 | 82 | -88 | 0 | 0 | 0 | 114.2 | D88 K94 G95 Q96 L133 | D88-Y92 WeakPolarHBondContact O-CB 3.44Å; D88-Y92 PolarHBondContact O-N 3.35Å; Y92-K94 VanDerWaalsContact C-N 3.34Å; Y92-K94 PolarHBondContact O-N 3.16Å; Y92-G95 CarbonylContact O-C 3.59Å; Y92-G95 WeakPolarHBondContact O-CA 2.87Å; Y92-G95 PolarHBondContact O-N 3.16Å; Y92-G95 VanDerWaalsContact O-N 3.11Å; Y92-Q96 HydrophobicContact CD2-CG 4.4Å; Y92-Q96 WeakPolarHBondContact O-CG 3.24Å; Y92-Q96 PolarHBondContact O-N 3.38Å; Y92-L133 VanDerWaalsContact CB-CD2 3.48Å; Y92-L133 HydrophobicContact CD1-CD2 3.3Å; Y92-L133 HydrophobicContact CD2-CD2 3.48Å; Y92-L133 VanDerWaalsContact CD2-CD2 3.48Å; Y92-L133 HydrophobicContact CE1-CD2 3.82Å; Y92-L133 HydrophobicContact CE2-CD2 4Å; Y92-L133 HydrophobicContact CG-CD2 3.1Å |
| 93 | M | 91.9 | Very high | 92.8 | Very high | 111 Ų | 111 | 49.7 Ų | 49.7 | 55% | 0.547 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.8 | -41.9 | -178.9 | -66.4 | -141.7 | -61.3 | 0 | 0 | 111.3 | N91 G95 Q96 E97 | N91-M93 VanDerWaalsContact C-N 3.3Å; N91-M93 PolarHBondContact O-N 3.3Å; M93-G95 VanDerWaalsContact C-N 3.27Å; M93-G95 PolarHBondContact O-N 2.89Å; M93-Q96 PolarHBondContact O-N 2.96Å; M93-Q96 VanDerWaalsContact O-N 3.15Å; M93-E97 WeakPolarHBondContact O-CG 3.26Å; M93-E97 PolarHBondContact O-N 3.27Å |
| 94 | K | 91.9 | Very high | 92.6 | Very high | 102 Ų | 102 | 56.2 Ų | 56.2 | 44% | 0.443 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 173.3 | -171.2 | -177.3 | 178.3 | -169.1 | 0 | 111.3 | N91 Y92 A98 Q167 V169 | N91-K94 PolarHBondContact O-N 2.91Å; Y92-K94 VanDerWaalsContact C-N 3.34Å; Y92-K94 PolarHBondContact O-N 3.16Å; K94-A98 WeakPolarHBondContact O-CB 3.44Å; K94-A98 PolarHBondContact O-N 2.93Å; K94-Q167 PolarHBondContact NZ-O 3.12Å; K94-V169 HydrophobicContact CB-CG2 4.42Å; K94-V169 HydrophobicContact CD-CG2 4.04Å; K94-V169 HydrophobicContact CG-CG2 4.35Å |
| 95 | G | 92.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N91 Y92 M93 M99 | N91-G95 PolarHBondContact O-N 3.07Å; Y92-G95 CarbonylContact O-C 3.59Å; Y92-G95 WeakPolarHBondContact O-CA 2.87Å; Y92-G95 PolarHBondContact O-N 3.16Å; Y92-G95 VanDerWaalsContact O-N 3.11Å; M93-G95 VanDerWaalsContact C-N 3.27Å; M93-G95 PolarHBondContact O-N 2.89Å; G95-M99 WeakPolarHBondContact O-CB 3.45Å; G95-M99 PolarHBondContact O-N 3.16Å |
| 96 | Q | 94.3 | Very high | 92 | Very high | 25 Ų | 25 | 64.1 Ų | 64.1 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 175.6 | -69.6 | -171.3 | -60.1 | 0 | 0 | 112 | F87 Y92 M93 M99 N100 W113 | F87-Q96 HydrophobicContact CE2-CG 4.07Å; F87-Q96 HydrophobicContact CZ-CG 4.18Å; Y92-Q96 HydrophobicContact CD2-CG 4.4Å; Y92-Q96 WeakPolarHBondContact O-CG 3.24Å; Y92-Q96 PolarHBondContact O-N 3.38Å; M93-Q96 PolarHBondContact O-N 2.96Å; M93-Q96 VanDerWaalsContact O-N 3.15Å; Q96-M99 PolarHBondContact O-N 3.06Å; Q96-N100 PolarHBondContact O-N 2.78Å; Q96-N100 PolarHBondContact O-ND2 2.83Å; Q96-N100 PolarHBondContact O-OD1 2.78Å; Q96-W113 HydrophobicContact CB-CZ2 4.05Å; Q96-W113 HydrophobicContact CG-CD2 4.19Å; Q96-W113 HydrophobicContact CG-CE3 4.36Å; Q96-W113 HydrophobicContact CG-CH2 4.08Å; Q96-W113 HydrophobicContact CG-CZ2 3.91Å; Q96-W113 HydrophobicContact CG-CZ3 4.3Å; Q96-W113 VanDerWaalsContact NE2-CG 3.32Å |
| 97 | E | 94.2 | Very high | 91.8 | Very high | 117 Ų | 117 | 66.6 Ų | 66.6 | 55% | 0.547 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.4 | -51.1 | 174.4 | -74.4 | 170.9 | -178.9 | 0 | 0 | 111 | M93 M99 N100 D101 | M93-E97 WeakPolarHBondContact O-CG 3.26Å; M93-E97 PolarHBondContact O-N 3.27Å; E97-M99 PolarHBondContact O-N 2.96Å; E97-N100 WeakPolarHBondContact O-CB 3.35Å; E97-N100 PolarHBondContact O-N 2.96Å; E97-D101 PolarHBondContact O-N 3.26Å |
| 98 | A | 93.7 | Very high | 91.8 | Very high | 8 Ų | 8 | 67.1 Ų | 67.1 | 7% | 0.066 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.6 | -36.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K94 L102 I164 | K94-A98 WeakPolarHBondContact O-CB 3.44Å; K94-A98 PolarHBondContact O-N 2.93Å; A98-L102 VanDerWaalsContact O-CG 3.29Å; A98-L102 WeakPolarHBondContact O-CG 3.31Å; A98-L102 PolarHBondContact O-N 3.29Å; A98-L102 VanDerWaalsContact O-N 3.14Å; A98-I164 HydrophobicContact CB-CG1 4.15Å |
| 99 | M | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 173.9 | -175.9 | 66 | -167.4 | 0 | 0 | 111.5 | F85 G95 Q96 E97 D101 L102 V103 W113 I137 I139 L156 A160 I164 L176 | F85-M99 HydrophobicContact CE1-CE 4.26Å; F85-M99 HydrophobicContact CE1-CG 4.28Å; F85-M99 HydrophobicContact CE1-SD 3.89Å; F85-M99 HydrophobicContact CZ-CE 3.76Å; F85-M99 HydrophobicContact CZ-CG 4.45Å; F85-M99 HydrophobicContact CZ-SD 4.01Å; G95-M99 WeakPolarHBondContact O-CB 3.45Å; G95-M99 PolarHBondContact O-N 3.16Å; Q96-M99 PolarHBondContact O-N 3.06Å; E97-M99 PolarHBondContact O-N 2.96Å; M99-D101 VanDerWaalsContact C-N 3.31Å; M99-D101 PolarHBondContact O-N 3.09Å; M99-L102 PolarHBondContact O-N 3.33Å; M99-V103 HydrophobicContact CE-CG2 3.83Å; M99-V103 HydrophobicContact CG-CG2 4.39Å; M99-V103 VanDerWaalsContact O-CG2 3.23Å; M99-V103 WeakPolarHBondContact O-CG2 3.45Å; M99-V103 PolarHBondContact O-N 2.91Å; M99-W113 HydrophobicContact CB-CH2 4.39Å; M99-W113 HydrophobicContact CB-CZ2 3.95Å; M99-W113 HydrophobicContact CG-CH2 4.12Å; M99-W113 HydrophobicContact CG-CZ2 3.84Å; M99-I137 HydrophobicContact CE-CD1 4.47Å; M99-I137 HydrophobicContact CG-CD1 4.05Å; M99-I139 HydrophobicContact CE-CD1 4.41Å; M99-L156 HydrophobicContact CE-CD1 3.89Å; M99-L156 HydrophobicContact CE-CD2 3.86Å; M99-L156 HydrophobicContact CE-CG 3.82Å; M99-L156 HydrophobicContact SD-CD1 4.49Å; M99-A160 HydrophobicContact SD-CB 3.62Å; M99-I164 HydrophobicContact CB-CD1 4.25Å; M99-L176 HydrophobicContact CE-CD2 3.8Å |
| 100 | N | 96.1 | Very high | 92.6 | Very high | 44 Ų | 44 | 64.6 Ų | 64.6 | 24% | 0.235 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | 178.1 | -64.8 | -17.9 | 0 | 0 | 0 | 111.5 | Q96 E97 L102 V103 Q104 V110 W113 | Q96-N100 PolarHBondContact O-N 2.78Å; Q96-N100 PolarHBondContact O-ND2 2.83Å; Q96-N100 PolarHBondContact O-OD1 2.78Å; E97-N100 WeakPolarHBondContact O-CB 3.35Å; E97-N100 PolarHBondContact O-N 2.96Å; N100-L102 VanDerWaalsContact C-N 3.33Å; N100-L102 PolarHBondContact O-N 3.31Å; N100-V103 WeakPolarHBondContact O-CB 3.32Å; N100-V103 PolarHBondContact O-N 3.39Å; N100-Q104 PolarHBondContact O-N 3.13Å; N100-V110 HydrophobicContact CB-CG2 4.3Å; N100-W113 PolarHBondContact OD1-NE1 2.78Å |
| 101 | D | 94.8 | Very high | 93.2 | Very high | 88 Ų | 88 | 56.7 Ų | 56.7 | 47% | 0.471 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 176.5 | -65.4 | -18.4 | 0 | 0 | 0 | 111.1 | E97 M99 Q104 M105 | E97-D101 PolarHBondContact O-N 3.26Å; M99-D101 VanDerWaalsContact C-N 3.31Å; M99-D101 PolarHBondContact O-N 3.09Å; D101-Q104 PolarHBondContact O-N 3.09Å; D101-M105 HydrophobicContact CB-CE 3.89Å; D101-M105 WeakPolarHBondContact O-CB 3.31Å; D101-M105 WeakPolarHBondContact O-CE 3.35Å; D101-M105 WeakPolarHBondContact O-CG 3.35Å; D101-M105 PolarHBondContact O-N 2.61Å |
| 102 | L | 94.9 | Very high | 93.6 | Very high | 15 Ų | 15 | 55.4 Ų | 55.4 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 176.6 | -72.4 | 171.2 | 0 | 0 | 0 | 112.4 | A98 M99 N100 Q104 M105 C106 L156 Q159 A160 | A98-L102 VanDerWaalsContact O-CG 3.29Å; A98-L102 WeakPolarHBondContact O-CG 3.31Å; A98-L102 PolarHBondContact O-N 3.29Å; A98-L102 VanDerWaalsContact O-N 3.14Å; M99-L102 PolarHBondContact O-N 3.33Å; N100-L102 VanDerWaalsContact C-N 3.33Å; N100-L102 PolarHBondContact O-N 3.31Å; L102-Q104 VanDerWaalsContact C-N 3.34Å; L102-M105 HydrophobicContact CD2-CE 4.03Å; L102-M105 HydrophobicContact CG-CE 4.45Å; L102-M105 PolarHBondContact O-N 2.73Å; L102-C106 PolarHBondContact O-N 2.72Å; L102-L156 HydrophobicContact CB-CD1 3.73Å; L102-Q159 HydrophobicContact CD2-CB 4.21Å; L102-A160 HydrophobicContact CD1-CB 3.99Å |
| 103 | V | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.2 | -48 | 175.4 | 173.4 | 0 | 0 | 0 | 0 | 110.1 | M99 N100 C106 G107 F108 V110 I137 I139 L156 | M99-V103 HydrophobicContact CE-CG2 3.83Å; M99-V103 HydrophobicContact CG-CG2 4.39Å; M99-V103 VanDerWaalsContact O-CG2 3.23Å; M99-V103 WeakPolarHBondContact O-CG2 3.45Å; M99-V103 PolarHBondContact O-N 2.91Å; N100-V103 WeakPolarHBondContact O-CB 3.32Å; N100-V103 PolarHBondContact O-N 3.39Å; V103-C106 PolarHBondContact O-N 3.15Å; V103-G107 PolarHBondContact O-N 3.22Å; V103-F108 HydrophobicContact CG1-CB 3.58Å; V103-F108 PolarHBondContact O-N 2.64Å; V103-V110 HydrophobicContact CB-CG2 3.81Å; V103-V110 HydrophobicContact CG1-CG2 3.6Å; V103-V110 HydrophobicContact CG2-CG2 4.02Å; V103-I137 HydrophobicContact CG2-CD1 4.17Å; V103-I139 HydrophobicContact CG1-CD1 4.41Å; V103-I139 HydrophobicContact CG1-CG1 4.39Å; V103-I139 HydrophobicContact CG1-CG2 3.81Å; V103-I139 HydrophobicContact CG2-CD1 3.8Å; V103-I139 HydrophobicContact CG2-CG1 4.34Å; V103-L156 HydrophobicContact CG2-CD1 4.09Å; V103-L156 HydrophobicContact CG2-CD2 3.9Å |
| 104 | Q | 93.7 | Very high | 94.1 | Very high | 138 Ų | 138 | 50.3 Ų | 50.3 | 65% | 0.645 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.8 | -43.1 | 177 | -71.3 | -176.9 | -7.4 | 0 | 0 | 112.2 | N100 D101 L102 C106 G107 | N100-Q104 PolarHBondContact O-N 3.13Å; D101-Q104 PolarHBondContact O-N 3.09Å; L102-Q104 VanDerWaalsContact C-N 3.34Å; Q104-C106 VanDerWaalsContact C-N 3.26Å; Q104-C106 PolarHBondContact O-N 3.23Å; Q104-G107 PolarHBondContact O-N 3.29Å |
| 105 | M | 91.2 | Very high | 94.2 | Very high | 143 Ų | 143 | 52.3 Ų | 52.3 | 70% | 0.704 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.9 | -33.2 | 176.7 | -79.6 | -174.7 | -98.4 | 0 | 0 | 113.1 | D101 L102 G107 | D101-M105 HydrophobicContact CB-CE 3.89Å; D101-M105 WeakPolarHBondContact O-CB 3.31Å; D101-M105 WeakPolarHBondContact O-CE 3.35Å; D101-M105 WeakPolarHBondContact O-CG 3.35Å; D101-M105 PolarHBondContact O-N 2.61Å; L102-M105 HydrophobicContact CD2-CE 4.03Å; L102-M105 HydrophobicContact CG-CE 4.45Å; L102-M105 PolarHBondContact O-N 2.73Å; M105-G107 PolarHBondContact O-N 2.78Å |
| 106 | C | 89.9 | Confident | 94.3 | Very high | 23 Ų | 23 | 52.4 Ų | 52.4 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 4.7 | 175.1 | -70.8 | 0 | 0 | 0 | 0 | 113.8 | L102 V103 Q104 F108 L156 | L102-C106 PolarHBondContact O-N 2.72Å; V103-C106 PolarHBondContact O-N 3.15Å; Q104-C106 VanDerWaalsContact C-N 3.26Å; Q104-C106 PolarHBondContact O-N 3.23Å; C106-F108 HydrophobicContact CB-CD2 3.89Å; C106-F108 HydrophobicContact CB-CE2 4.25Å; C106-L156 HydrophobicContact CB-CB 4.36Å |
| 107 | G | 89.5 | Confident | 94.3 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 58% | 0.577 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 25.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | V103 Q104 M105 | V103-G107 PolarHBondContact O-N 3.22Å; Q104-G107 PolarHBondContact O-N 3.29Å; M105-G107 PolarHBondContact O-N 2.78Å |
| 108 | F | 94.5 | Very high | 94.3 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 6% | 0.057 | 27% | 0.267 | C | S | . | . | trans | -112 | 166.1 | 175.8 | -65.2 | -63.1 | 0 | 0 | 0 | 111.3 | V103 C106 I139 L140 C141 L144 R152 L153 L156 | V103-F108 HydrophobicContact CG1-CB 3.58Å; V103-F108 PolarHBondContact O-N 2.64Å; C106-F108 HydrophobicContact CB-CD2 3.89Å; C106-F108 HydrophobicContact CB-CE2 4.25Å; F108-I139 HydrophobicContact CB-CG2 3.51Å; F108-I139 HydrophobicContact CD1-CG2 4.37Å; F108-I139 HydrophobicContact CG-CG2 3.97Å; F108-L140 WeakPolarHBondContact CD1-O 3.41Å; F108-C141 HydrophobicContact CD1-CB 4.39Å; F108-C141 HydrophobicContact CE1-CB 4.08Å; F108-L144 HydrophobicContact CD1-CD1 4.46Å; F108-L144 HydrophobicContact CE1-CD1 3.61Å; F108-L144 HydrophobicContact CZ-CD1 4.18Å; F108-R152 HydrophobicContact CE2-CB 3.54Å; F108-R152 HydrophobicContact CZ-CB 3.46Å; F108-R152 VanDerWaalsContact CZ-CB 3.46Å; F108-L153 HydrophobicContact CE2-CD2 4.08Å; F108-L153 HydrophobicContact CE2-CG 4.35Å; F108-L153 HydrophobicContact CZ-CD2 4.08Å; F108-L153 HydrophobicContact CZ-CG 4.04Å; F108-L156 HydrophobicContact CD2-CD2 4.24Å | ||
| 109 | E | 94.7 | Very high | 94.3 | Very high | 125 Ų | 125 | 52.8 Ų | 52.8 | 58% | 0.584 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.2 | 175.5 | -175.5 | -178.3 | 164.5 | 0 | 0 | 110.9 | I111 I139 L140 | E109-I111 PolarHBondContact O-N 3.26Å; E109-I139 CarbonylContact O-C 3.43Å; E109-I139 WeakPolarHBondContact O-CA 3.47Å; E109-I139 WeakPolarHBondContact O-CG2 3.4Å; E109-L140 HydrophobicContact CB-CB 4.21Å; E109-L140 PolarHBondContact O-N 2.85Å |
| 110 | V | 96.7 | Very high | 94.1 | Very high | 34 Ų | 34 | 54.6 Ų | 54.6 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 116.4 | 173.5 | -179 | 0 | 0 | 0 | 0 | 108.9 | N100 V103 I137 | N100-V110 HydrophobicContact CB-CG2 4.3Å; V103-V110 HydrophobicContact CB-CG2 3.81Å; V103-V110 HydrophobicContact CG1-CG2 3.6Å; V103-V110 HydrophobicContact CG2-CG2 4.02Å; V110-I137 HydrophobicContact CG1-CD1 4.29Å; V110-I137 HydrophobicContact CG1-CG1 4.21Å; V110-I137 HydrophobicContact CG2-CD1 4.24Å |
| 111 | I | 95.7 | Very high | 93.8 | Very high | 43 Ų | 43 | 56.7 Ų | 56.7 | 22% | 0.221 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | -55.3 | 173.8 | -59.3 | 169.6 | 0 | 0 | 0 | 109 | I72 L74 P75 E109 F138 L140 | I72-I111 HydrophobicContact CG2-CG2 3.61Å; L74-I111 HydrophobicContact CD1-CD1 4.44Å; P75-I111 HydrophobicContact CG-CD1 3.93Å; E109-I111 PolarHBondContact O-N 3.26Å; I111-F138 HydrophobicContact CB-CB 4.09Å; I111-F138 WeakPolarHBondContact CB-O 3.38Å; I111-F138 HydrophobicContact CD1-CB 4.39Å; I111-F138 PolarHBondContact N-O 3.17Å; I111-L140 HydrophobicContact CD1-CB 4.08Å; I111-L140 HydrophobicContact CD1-CD1 4.4Å; I111-L140 HydrophobicContact CG1-CB 3.89Å |
| 112 | C | 95.6 | Very high | 93.5 | Very high | 15 Ų | 15 | 53.7 Ų | 53.7 | 10% | 0.101 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168 | 166.9 | 177.5 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | I72 F138 | I72-C112 HydrophobicContact CD1-CB 3.6Å; C112-F138 PolarHBondContact N-O 3Å; C112-F138 PolarHBondContact O-N 3.3Å |
| 113 | W | 95.9 | Very high | 93.3 | Very high | 54 Ų | 54 | 53 Ų | 53 | 21% | 0.205 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128.6 | 162.4 | -74.1 | 92 | 0 | 0 | 0 | 110.3 | F85 F87 Q96 M99 N100 R135 Q136 I137 | F85-W113 HydrophobicContact CD1-CH2 4.42Å; F85-W113 HydrophobicContact CD2-CH2 4.44Å; F85-W113 HydrophobicContact CD2-CZ3 4.3Å; F85-W113 HydrophobicContact CG-CH2 4.34Å; F85-W113 HydrophobicContact CG-CZ3 4.32Å; F87-W113 AromaticContact CE2-CH2 3.99Å; F87-W113 HydrophobicContact CE2-CH2 3.99Å; F87-W113 AromaticContact CE2-CZ3 3.98Å; F87-W113 HydrophobicContact CE2-CZ3 3.98Å; F87-W113 HydrophobicContact CZ-CH2 4.06Å; Q96-W113 HydrophobicContact CB-CZ2 4.05Å; Q96-W113 HydrophobicContact CG-CD2 4.19Å; Q96-W113 HydrophobicContact CG-CE3 4.36Å; Q96-W113 HydrophobicContact CG-CH2 4.08Å; Q96-W113 HydrophobicContact CG-CZ2 3.91Å; Q96-W113 HydrophobicContact CG-CZ3 4.3Å; Q96-W113 VanDerWaalsContact NE2-CG 3.32Å; M99-W113 HydrophobicContact CB-CH2 4.39Å; M99-W113 HydrophobicContact CB-CZ2 3.95Å; M99-W113 HydrophobicContact CG-CH2 4.12Å; M99-W113 HydrophobicContact CG-CZ2 3.84Å; N100-W113 PolarHBondContact OD1-NE1 2.78Å; W113-R135 HydrophobicContact CE3-CB 3.82Å; W113-R135 HydrophobicContact CZ3-CB 3.8Å; W113-Q136 CarbonylContact C-O 3.25Å; W113-Q136 WeakPolarHBondContact CA-O 3.33Å; W113-I137 HydrophobicContact CD2-CB 4.01Å; W113-I137 HydrophobicContact CD2-CD1 4.44Å; W113-I137 HydrophobicContact CD2-CG1 4Å; W113-I137 HydrophobicContact CE3-CB 3.77Å; W113-I137 HydrophobicContact CE3-CG1 4.3Å; W113-I137 HydrophobicContact CH2-CB 3.88Å; W113-I137 HydrophobicContact CH2-CD1 4.04Å; W113-I137 HydrophobicContact CH2-CG1 4.28Å; W113-I137 HydrophobicContact CZ2-CB 4.08Å; W113-I137 HydrophobicContact CZ2-CD1 3.51Å; W113-I137 HydrophobicContact CZ2-CG1 3.95Å; W113-I137 HydrophobicContact CZ3-CB 3.71Å; W113-I137 HydrophobicContact CZ3-CG1 4.44Å |
| 114 | R | 95.2 | Very high | 92.8 | Very high | 13 Ų | 13 | 53 Ų | 53 | 5% | 0.049 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 142.9 | 174.6 | 178.2 | 179.9 | 176.8 | -110.7 | -2.4 | 109.5 | L67 P116 Q136 F138 D198 | L67-R114 HydrophobicContact CD2-CB 4.5Å; R114-P116 WeakPolarHBondContact O-CD 3.24Å; R114-Q136 HydrophobicContact CB-CB 4.28Å; R114-Q136 PolarHBondContact N-O 2.92Å; R114-Q136 PolarHBondContact O-N 2.99Å; R114-F138 HydrophobicContact CB-CD2 4.45Å; R114-F138 HydrophobicContact CB-CE2 3.89Å; R114-D198 IonicContact CZ-OD1 3.69Å; R114-D198 IonicContact CZ-OD2 3.52Å; R114-D198 IonicContact NH1-OD1 3.72Å; R114-D198 IonicContact NH1-OD2 3.22Å; R114-D198 PolarHBondContact NH1-OD2 3.35Å; R114-D198 IonicContact NH2-OD1 2.75Å; R114-D198 PolarHBondContact NH2-OD1 3.13Å; R114-D198 IonicContact NH2-OD2 3.32Å; R114-D198 PolarHBondContact NH2-OD2 3.33Å |
| 115 | K | 94.5 | Very high | 92.5 | Very high | 145 Ų | 145 | 53.4 Ų | 53.4 | 63% | 0.63 | 29% | 0.292 | S | S | * | . | trans | -96.7 | 107.2 | 165 | 178.1 | -178 | 176.3 | -173.3 | 0 | 108.1 | ||||
| 116 | P | 94.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | trans | -58.8 | 137.5 | 175 | -24.5 | 35.7 | 0 | 0 | 0 | 110.9 | R114 V118 I134 Q136 | R114-P116 WeakPolarHBondContact O-CD 3.24Å; P116-V118 PolarHBondContact O-N 2.93Å; P116-I134 HydrophobicContact CG-CG2 4.08Å; P116-Q136 HydrophobicContact CG-CB 3.91Å | ||
| 117 | P | 93.3 | Very high | 92.1 | Very high | 53 Ų | 53 | 46.7 Ų | 46.7 | 34% | 0.344 | 26% | 0.259 | S | S | . | . | trans | -69.2 | 116.8 | 174.7 | 27.7 | -32.8 | 0 | 0 | 0 | 110.1 | N197 D198 | P117-N197 HydrophobicContact CB-CB 4.15Å; P117-N197 HydrophobicContact CG-CB 4.04Å; P117-N197 PolarHBondContact O-N 3.47Å; P117-D198 VanDerWaalsContact CD-OD1 3.23Å; P117-D198 WeakPolarHBondContact CD-OD1 3.33Å; P117-D198 VanDerWaalsContact CG-OD1 3.31Å; P117-D198 WeakPolarHBondContact CG-OD1 2.91Å | ||
| 118 | V | 94.5 | Very high | 92.1 | Very high | 44 Ų | 44 | 49.2 Ų | 49.2 | 27% | 0.267 | 25% | 0.251 | S | S | . | . | B | Isolated β-bridge | trans | -122.5 | 148.8 | -179.7 | -61 | 0 | 0 | 0 | 0 | 111.9 | P116 I134 Y195 Y196 | P116-V118 PolarHBondContact O-N 2.93Å; V118-I134 HydrophobicContact CG1-CD1 4.11Å; V118-Y195 CarbonylContact C-O 3.57Å; V118-Y195 VanDerWaalsContact CA-O 3.24Å; V118-Y195 WeakPolarHBondContact CA-O 3.42Å; V118-Y195 HydrophobicContact CB-CD1 4.26Å; V118-Y195 HydrophobicContact CB-CE1 3.68Å; V118-Y195 HydrophobicContact CB-CE2 4.14Å; V118-Y195 HydrophobicContact CG1-CD1 4.19Å; V118-Y195 HydrophobicContact CG1-CE1 3.52Å; V118-Y196 HydrophobicContact CG1-CD1 3.78Å; V118-Y196 HydrophobicContact CG1-CE1 3.82Å |
| 119 | N | 94 | Very high | 91.8 | Very high | 61 Ų | 61 | 55.4 Ų | 55.4 | 33% | 0.326 | 28% | 0.28 | S | S | . | . | trans | -113.1 | 84.4 | 177.9 | -177.1 | 9.7 | 0 | 0 | 0 | 111.8 | S121 S122 Y195 | N119-S121 PolarHBondContact O-N 3.09Å; N119-S121 PolarHBondContact OD1-N 3.26Å; N119-S121 PolarHBondContact OD1-OG 3.06Å; N119-S122 WeakPolarHBondContact O-CB 3.45Å; N119-S122 PolarHBondContact O-N 3.47Å; N119-S122 VanDerWaalsContact O-N 3.09Å; N119-S122 PolarHBondContact O-OG 3.31Å; N119-Y195 PolarHBondContact N-O 3.17Å; N119-Y195 WeakPolarHBondContact O-CD2 3.43Å | ||
| 120 | S | 91.6 | Very high | 91.5 | Very high | 38 Ų | 38 | 51.6 Ų | 51.6 | 27% | 0.266 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -63.6 | -12.2 | -179.6 | -44.9 | 0 | 0 | 0 | 0 | 114.5 | S122 V123 R128 E131 | S120-S122 VanDerWaalsContact C-N 3.26Å; S120-S122 PolarHBondContact O-N 2.6Å; S120-V123 VanDerWaalsContact O-CG2 3.32Å; S120-V123 WeakPolarHBondContact O-CG2 3.5Å; S120-R128 PolarHBondContact O-NE 2.67Å; S120-R128 PolarHBondContact O-NH2 2.67Å; S120-E131 WeakPolarHBondContact CB-OE1 3.5Å; S120-E131 WeakPolarHBondContact CB-OE2 3.4Å; S120-E131 PolarHBondContact OG-OE1 3.06Å; S120-E131 PolarHBondContact OG-OE2 3.3Å |
| 121 | S | 90.4 | Very high | 91.3 | Very high | 88 Ų | 88 | 50.7 Ų | 50.7 | 62% | 0.615 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -73 | -19.3 | 174.5 | 73.3 | 0 | 0 | 0 | 0 | 113.3 | N119 | N119-S121 PolarHBondContact O-N 3.09Å; N119-S121 PolarHBondContact OD1-N 3.26Å; N119-S121 PolarHBondContact OD1-OG 3.06Å |
| 122 | S | 87.9 | Confident | 91.2 | Very high | 25 Ų | 25 | 49.7 Ų | 49.7 | 18% | 0.175 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -79.2 | -16.3 | -177.9 | 64.4 | 0 | 0 | 0 | 0 | 114.5 | N119 S120 Q191 | N119-S122 WeakPolarHBondContact O-CB 3.45Å; N119-S122 PolarHBondContact O-N 3.47Å; N119-S122 VanDerWaalsContact O-N 3.09Å; N119-S122 PolarHBondContact O-OG 3.31Å; S120-S122 VanDerWaalsContact C-N 3.26Å; S120-S122 PolarHBondContact O-N 2.6Å; S122-Q191 WeakPolarHBondContact O-CG 3.36Å; S122-Q191 PolarHBondContact O-NE2 3.19Å |
| 123 | V | 89.4 | Confident | 91.2 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -99 | 149.9 | -179.1 | -63.9 | 0 | 0 | 0 | 0 | 111.9 | S120 A127 R128 F187 Y195 | S120-V123 VanDerWaalsContact O-CG2 3.32Å; S120-V123 WeakPolarHBondContact O-CG2 3.5Å; V123-A127 HydrophobicContact CB-CB 4.26Å; V123-R128 HydrophobicContact CG2-CB 4.13Å; V123-R128 HydrophobicContact CG2-CG 4.46Å; V123-R128 PolarHBondContact O-NH2 3.49Å; V123-F187 HydrophobicContact CG1-CD1 3.57Å; V123-F187 HydrophobicContact CG1-CE1 3.69Å; V123-Y195 HydrophobicContact CG1-CD2 3.83Å; V123-Y195 HydrophobicContact CG1-CE2 4.35Å |
| 124 | G | 86.7 | Confident | 91.2 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | trans | -62.3 | 165.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D47 S48 V126 A127 R128 | D47-G124 WeakPolarHBondContact OD2-CA 3.48Å; S48-G124 WeakPolarHBondContact OG-CA 3.02Å; G124-V126 PolarHBondContact O-N 3Å; G124-A127 PolarHBondContact O-N 3.35Å; G124-R128 WeakPolarHBondContact O-CB 3.32Å; G124-R128 PolarHBondContact O-N 3.02Å | ||
| 125 | K | 86.7 | Confident | 91.2 | Very high | 145 Ų | 145 | 49.2 Ų | 49.2 | 63% | 0.63 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61.2 | -45.1 | -172.3 | -175.8 | -174.6 | 172.5 | -165.4 | 0 | 111.5 | D45 R128 E129 | D45-K125 PolarHBondContact OD2-N 3.48Å; K125-R128 PolarHBondContact O-N 3.21Å; K125-E129 WeakPolarHBondContact CE-OE1 3.36Å; K125-E129 WeakPolarHBondContact O-CG 3.47Å; K125-E129 PolarHBondContact O-N 2.96Å; K125-E129 VanDerWaalsContact O-N 3.13Å |
| 126 | V | 85.1 | Confident | 91.4 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 16% | 0.158 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65 | -42.9 | -177.4 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | D45 S48 G124 R128 E129 P221 | D45-V126 HydrophobicContact CB-CG2 4.32Å; D45-V126 PolarHBondContact OD2-N 3.24Å; S48-V126 PolarHBondContact OG-N 2.88Å; G124-V126 PolarHBondContact O-N 3Å; V126-R128 VanDerWaalsContact C-N 3.33Å; V126-R128 PolarHBondContact O-N 3.16Å; V126-E129 PolarHBondContact O-N 3.36Å; V126-P221 HydrophobicContact CG1-CB 4.03Å; V126-P221 HydrophobicContact CG1-CG 3.67Å |
| 127 | A | 88.3 | Confident | 91.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.8 | -36.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S48 V123 G124 S130 E131 Q186 W223 | S48-A127 PolarHBondContact OG-N 3.07Å; S48-A127 VanDerWaalsContact OG-N 3.17Å; V123-A127 HydrophobicContact CB-CB 4.26Å; G124-A127 PolarHBondContact O-N 3.35Å; A127-S130 PolarHBondContact O-N 2.96Å; A127-S130 PolarHBondContact O-OG 3.46Å; A127-E131 PolarHBondContact O-N 2.94Å; A127-Q186 HydrophobicContact CB-CB 4.12Å; A127-Q186 HydrophobicContact CB-CG 4Å; A127-W223 PolarHBondContact O-NE1 3.15Å |
| 128 | R | 89.8 | Confident | 91.7 | Very high | 109 Ų | 109 | 39.7 Ų | 39.7 | 41% | 0.411 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68.4 | -33.5 | -179.9 | -162.3 | -176.9 | -60.4 | 147.1 | 6.8 | 113.2 | S120 V123 G124 K125 V126 S130 E131 | S120-R128 PolarHBondContact O-NE 2.67Å; S120-R128 PolarHBondContact O-NH2 2.67Å; V123-R128 HydrophobicContact CG2-CB 4.13Å; V123-R128 HydrophobicContact CG2-CG 4.46Å; V123-R128 PolarHBondContact O-NH2 3.49Å; G124-R128 WeakPolarHBondContact O-CB 3.32Å; G124-R128 PolarHBondContact O-N 3.02Å; K125-R128 PolarHBondContact O-N 3.21Å; V126-R128 VanDerWaalsContact C-N 3.33Å; V126-R128 PolarHBondContact O-N 3.16Å; R128-S130 VanDerWaalsContact C-N 3.27Å; R128-S130 PolarHBondContact O-N 3.33Å; R128-E131 WeakPolarHBondContact O-CB 3.14Å; R128-E131 PolarHBondContact O-N 3.46Å |
| 129 | E | 88.1 | Confident | 91.9 | Very high | 143 Ų | 143 | 37.6 Ų | 37.6 | 67% | 0.668 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -65.1 | -31.5 | 178.6 | -75.2 | 173.1 | -175.3 | 0 | 0 | 112.6 | K125 V126 | K125-E129 WeakPolarHBondContact CE-OE1 3.36Å; K125-E129 WeakPolarHBondContact O-CG 3.47Å; K125-E129 PolarHBondContact O-N 2.96Å; K125-E129 VanDerWaalsContact O-N 3.13Å; V126-E129 PolarHBondContact O-N 3.36Å |
| 130 | S | 88.3 | Confident | 91.9 | Very high | 45 Ų | 45 | 36 Ų | 36 | 32% | 0.315 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 8.4 | 177.9 | 61 | 0 | 0 | 0 | 0 | 113.6 | A127 R128 P132 P221 W223 | A127-S130 PolarHBondContact O-N 2.96Å; A127-S130 PolarHBondContact O-OG 3.46Å; R128-S130 VanDerWaalsContact C-N 3.27Å; R128-S130 PolarHBondContact O-N 3.33Å; S130-P132 WeakPolarHBondContact O-CD 3.49Å; S130-P221 WeakPolarHBondContact OG-CB 3.4Å; S130-W223 PolarHBondContact OG-NE1 3.32Å |
| 131 | E | 92.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | trans | -64.7 | 118.1 | -175.1 | 177 | -172.4 | -152.5 | 0 | 0 | 111.4 | R89 S120 A127 R128 Y195 W223 | R89-E131 PolarHBondContact NE-O 2.75Å; R89-E131 VanDerWaalsContact NE-O 3.16Å; R89-E131 PolarHBondContact NH2-O 3.36Å; R89-E131 VanDerWaalsContact NH2-O 3.09Å; R89-E131 IonicContact NH2-OE2 2.75Å; R89-E131 PolarHBondContact NH2-OE2 2.88Å; R89-E131 VanDerWaalsContact NH2-OE2 3.15Å; S120-E131 WeakPolarHBondContact CB-OE1 3.5Å; S120-E131 WeakPolarHBondContact CB-OE2 3.4Å; S120-E131 PolarHBondContact OG-OE1 3.06Å; S120-E131 PolarHBondContact OG-OE2 3.3Å; A127-E131 PolarHBondContact O-N 2.94Å; R128-E131 WeakPolarHBondContact O-CB 3.14Å; R128-E131 PolarHBondContact O-N 3.46Å; E131-Y195 WeakPolarHBondContact OE1-CE2 3.41Å; E131-Y195 PolarHBondContact OE1-OH 2.67Å; E131-W223 HydrophobicContact CB-CH2 4.45Å; E131-W223 HydrophobicContact CB-CZ2 3.79Å; E131-W223 HydrophobicContact CG-CH2 3.99Å; E131-W223 HydrophobicContact CG-CZ2 3.84Å | ||
| 132 | P | 93.5 | Very high | 91.5 | Very high | 21 Ų | 21 | 37 Ų | 37 | 14% | 0.136 | 18% | 0.179 | C | C | . | . | trans | -74.2 | 162.5 | 180 | 31.8 | -34.9 | 0 | 0 | 0 | 111.4 | F86 S130 I134 W223 | F86-P132 HydrophobicContact CB-CB 3.69Å; F86-P132 HydrophobicContact CB-CG 3.83Å; F86-P132 HydrophobicContact CD1-CG 3.88Å; F86-P132 HydrophobicContact CD2-CG 3.91Å; F86-P132 HydrophobicContact CE1-CG 4.41Å; F86-P132 HydrophobicContact CE2-CG 4.43Å; F86-P132 HydrophobicContact CG-CB 4.06Å; F86-P132 HydrophobicContact CG-CG 3.6Å; S130-P132 WeakPolarHBondContact O-CD 3.49Å; P132-I134 HydrophobicContact CG-CG1 4.5Å; P132-I134 PolarHBondContact O-N 3.34Å; P132-W223 VanDerWaalsContact CD-CD2 3.41Å; P132-W223 HydrophobicContact CG-CB 4.21Å; P132-W223 HydrophobicContact CG-CD2 4.16Å; P132-W223 HydrophobicContact CG-CE3 4.15Å; P132-W223 HydrophobicContact CG-CG 4.19Å | ||
| 133 | L | 94.6 | Very high | 91.1 | Very high | 34 Ų | 34 | 40 Ų | 40 | 18% | 0.178 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 108.8 | 168.6 | -170.3 | 82.3 | 0 | 0 | 0 | 109.8 | F87 R89 Y92 | F87-L133 HydrophobicContact CB-CB 4.37Å; F87-L133 PolarHBondContact N-O 3.32Å; F87-L133 WeakPolarHBondContact O-CB 3.48Å; F87-L133 PolarHBondContact O-N 2.75Å; R89-L133 HydrophobicContact CG-CB 4.41Å; Y92-L133 VanDerWaalsContact CB-CD2 3.48Å; Y92-L133 HydrophobicContact CD1-CD2 3.3Å; Y92-L133 HydrophobicContact CD2-CD2 3.48Å; Y92-L133 VanDerWaalsContact CD2-CD2 3.48Å; Y92-L133 HydrophobicContact CE1-CD2 3.82Å; Y92-L133 HydrophobicContact CE2-CD2 4Å; Y92-L133 HydrophobicContact CG-CD2 3.1Å |
| 134 | I | 96.2 | Very high | 90.8 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 5% | 0.046 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 128.8 | -177.7 | -57.2 | 171.3 | 0 | 0 | 0 | 110.5 | I84 F85 F86 P116 V118 P132 Y195 Y196 W223 | I84-I134 HydrophobicContact CG2-CG2 3.82Å; F85-I134 WeakPolarHBondContact O-CA 3.43Å; F86-I134 HydrophobicContact CD1-CG1 3.88Å; F86-I134 HydrophobicContact CE1-CD1 4.16Å; F86-I134 HydrophobicContact CE1-CG1 3.85Å; P116-I134 HydrophobicContact CG-CG2 4.08Å; V118-I134 HydrophobicContact CG1-CD1 4.11Å; P132-I134 HydrophobicContact CG-CG1 4.5Å; P132-I134 PolarHBondContact O-N 3.34Å; I134-Y195 HydrophobicContact CD1-CE1 3.73Å; I134-Y195 VanDerWaalsContact CD1-OH 3.31Å; I134-Y195 WeakPolarHBondContact CD1-OH 3.47Å; I134-Y196 HydrophobicContact CD1-CE1 3.93Å; I134-Y196 WeakPolarHBondContact CD1-OH 3.42Å; I134-W223 HydrophobicContact CD1-CZ3 4.47Å |
| 135 | R | 96.4 | Very high | 90.8 | Very high | 29 Ų | 29 | 46.9 Ų | 46.9 | 11% | 0.109 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 145.8 | 174.9 | -71.4 | -65.8 | -178.9 | -82.7 | -2.1 | 110.6 | F85 F87 W113 | F85-R135 PolarHBondContact N-O 2.84Å; F85-R135 PolarHBondContact O-N 2.9Å; F87-R135 HydrophobicContact CD2-CB 4.11Å; F87-R135 HydrophobicContact CD2-CG 4.17Å; F87-R135 HydrophobicContact CE2-CB 4.12Å; F87-R135 HydrophobicContact CE2-CG 4.49Å; W113-R135 HydrophobicContact CE3-CB 3.82Å; W113-R135 HydrophobicContact CZ3-CB 3.8Å |
| 136 | Q | 97.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.1 | 175.6 | -178.2 | 177.7 | 16 | 0 | 0 | 109.3 | Y63 T82 G83 I84 W113 R114 P116 F138 | Y63-Q136 VanDerWaalsContact CZ-NE2 3.28Å; Y63-Q136 PolarHBondContact OH-NE2 3.32Å; T82-Q136 WeakPolarHBondContact OG1-CG 3.27Å; T82-Q136 PolarHBondContact OG1-NE2 3.16Å; G83-Q136 VanDerWaalsContact O-CA 3.24Å; G83-Q136 WeakPolarHBondContact O-CA 3.36Å; I84-Q136 HydrophobicContact CG1-CB 4.48Å; I84-Q136 HydrophobicContact CG1-CG 4.47Å; W113-Q136 CarbonylContact C-O 3.25Å; W113-Q136 WeakPolarHBondContact CA-O 3.33Å; R114-Q136 HydrophobicContact CB-CB 4.28Å; R114-Q136 PolarHBondContact N-O 2.92Å; R114-Q136 PolarHBondContact O-N 2.99Å; P116-Q136 HydrophobicContact CG-CB 3.91Å; Q136-F138 HydrophobicContact CG-CD2 4.47Å; Q136-F138 HydrophobicContact CG-CE2 3.82Å; Q136-F138 HydrophobicContact CG-CZ 4.15Å; Q136-F138 VanDerWaalsContact NE2-CZ 3.35Å |
| 137 | I | 97.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 146.8 | 175.2 | -165 | 176.4 | 0 | 0 | 0 | 110.1 | T82 G83 F85 M99 V103 V110 W113 I139 L176 | T82-I137 WeakPolarHBondContact CA-O 3.34Å; T82-I137 WeakPolarHBondContact CB-O 3.41Å; T82-I137 PolarHBondContact OG1-O 3.2Å; G83-I137 PolarHBondContact N-O 3.38Å; G83-I137 PolarHBondContact O-N 3.38Å; F85-I137 HydrophobicContact CD2-CG2 4.21Å; F85-I137 HydrophobicContact CE2-CG2 3.56Å; F85-I137 HydrophobicContact CZ-CG2 4.25Å; M99-I137 HydrophobicContact CE-CD1 4.47Å; M99-I137 HydrophobicContact CG-CD1 4.05Å; V103-I137 HydrophobicContact CG2-CD1 4.17Å; V110-I137 HydrophobicContact CG1-CD1 4.29Å; V110-I137 HydrophobicContact CG1-CG1 4.21Å; V110-I137 HydrophobicContact CG2-CD1 4.24Å; W113-I137 HydrophobicContact CD2-CB 4.01Å; W113-I137 HydrophobicContact CD2-CD1 4.44Å; W113-I137 HydrophobicContact CD2-CG1 4Å; W113-I137 HydrophobicContact CE3-CB 3.77Å; W113-I137 HydrophobicContact CE3-CG1 4.3Å; W113-I137 HydrophobicContact CH2-CB 3.88Å; W113-I137 HydrophobicContact CH2-CD1 4.04Å; W113-I137 HydrophobicContact CH2-CG1 4.28Å; W113-I137 HydrophobicContact CZ2-CB 4.08Å; W113-I137 HydrophobicContact CZ2-CD1 3.51Å; W113-I137 HydrophobicContact CZ2-CG1 3.95Å; W113-I137 HydrophobicContact CZ3-CB 3.71Å; W113-I137 HydrophobicContact CZ3-CG1 4.44Å; I137-I139 HydrophobicContact CD1-CD1 4.08Å; I137-I139 HydrophobicContact CD1-CG1 3.87Å; I137-I139 HydrophobicContact CG1-CG1 3.99Å; I137-I139 HydrophobicContact CG2-CD1 4.34Å; I137-I139 HydrophobicContact CG2-CG1 4.36Å; I137-L176 HydrophobicContact CG2-CD1 3.87Å |
| 138 | F | 97.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.1 | 167.1 | -67.7 | -93.2 | 0 | 0 | 0 | 108.9 | Y63 L67 L74 Y80 A81 T82 I111 C112 R114 Q136 | Y63-F138 HydrophobicContact CD1-CZ 4.13Å; Y63-F138 AromaticContact CD2-CE1 3.98Å; Y63-F138 HydrophobicContact CD2-CE1 3.98Å; Y63-F138 HydrophobicContact CD2-CZ 4.24Å; Y63-F138 HydrophobicContact CG-CE1 4Å; Y63-F138 AromaticContact CG-CZ 3.96Å; Y63-F138 HydrophobicContact CG-CZ 3.96Å; L67-F138 HydrophobicContact CD1-CD1 3.95Å; L67-F138 HydrophobicContact CD1-CD2 4Å; L67-F138 HydrophobicContact CD1-CE1 3.94Å; L67-F138 HydrophobicContact CD1-CE2 3.99Å; L67-F138 HydrophobicContact CD1-CG 3.98Å; L67-F138 HydrophobicContact CD1-CZ 3.95Å; L67-F138 HydrophobicContact CD2-CD2 4.27Å; L67-F138 HydrophobicContact CD2-CE2 4.05Å; L67-F138 HydrophobicContact CG-CE2 4.37Å; L67-F138 HydrophobicContact CG-CZ 4.45Å; L74-F138 HydrophobicContact CD1-CD1 3.75Å; L74-F138 HydrophobicContact CD1-CE1 4.3Å; L74-F138 HydrophobicContact CD1-CG 4.46Å; Y80-F138 HydrophobicContact CD2-CD1 4.12Å; Y80-F138 HydrophobicContact CE2-CD1 4.16Å; Y80-F138 HydrophobicContact CE2-CE1 4.32Å; A81-F138 WeakPolarHBondContact O-CA 3.28Å; T82-F138 HydrophobicContact CG2-CE1 4.25Å; T82-F138 WeakPolarHBondContact OG1-CE1 3.48Å; I111-F138 HydrophobicContact CB-CB 4.09Å; I111-F138 WeakPolarHBondContact CB-O 3.38Å; I111-F138 HydrophobicContact CD1-CB 4.39Å; I111-F138 PolarHBondContact N-O 3.17Å; C112-F138 PolarHBondContact N-O 3Å; C112-F138 PolarHBondContact O-N 3.3Å; R114-F138 HydrophobicContact CB-CD2 4.45Å; R114-F138 HydrophobicContact CB-CE2 3.89Å; Q136-F138 HydrophobicContact CG-CD2 4.47Å; Q136-F138 HydrophobicContact CG-CE2 3.82Å; Q136-F138 HydrophobicContact CG-CZ 4.15Å; Q136-F138 VanDerWaalsContact NE2-CZ 3.35Å |
| 139 | I | 96.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 132.2 | -174.2 | -56.8 | 174.7 | 0 | 0 | 0 | 108.5 | Y80 A81 M99 V103 F108 E109 I137 L156 L176 | Y80-I139 CarbonylContact C-O 3.53Å; Y80-I139 WeakPolarHBondContact CA-O 3.4Å; Y80-I139 VanDerWaalsContact CB-O 3.24Å; Y80-I139 WeakPolarHBondContact CB-O 3.43Å; A81-I139 PolarHBondContact N-O 2.97Å; A81-I139 PolarHBondContact O-N 2.98Å; M99-I139 HydrophobicContact CE-CD1 4.41Å; V103-I139 HydrophobicContact CG1-CD1 4.41Å; V103-I139 HydrophobicContact CG1-CG1 4.39Å; V103-I139 HydrophobicContact CG1-CG2 3.81Å; V103-I139 HydrophobicContact CG2-CD1 3.8Å; V103-I139 HydrophobicContact CG2-CG1 4.34Å; F108-I139 HydrophobicContact CB-CG2 3.51Å; F108-I139 HydrophobicContact CD1-CG2 4.37Å; F108-I139 HydrophobicContact CG-CG2 3.97Å; E109-I139 CarbonylContact O-C 3.43Å; E109-I139 WeakPolarHBondContact O-CA 3.47Å; E109-I139 WeakPolarHBondContact O-CG2 3.4Å; I137-I139 HydrophobicContact CD1-CD1 4.08Å; I137-I139 HydrophobicContact CD1-CG1 3.87Å; I137-I139 HydrophobicContact CG1-CG1 3.99Å; I137-I139 HydrophobicContact CG2-CD1 4.34Å; I137-I139 HydrophobicContact CG2-CG1 4.36Å; I139-L156 HydrophobicContact CD1-CD2 3.79Å; I139-L176 HydrophobicContact CD1-CD1 3.89Å; I139-L176 HydrophobicContact CD1-CD2 4.37Å |
| 140 | L | 95.9 | Very high | 91 | Very high | 27 Ų | 27 | 36.8 Ų | 36.8 | 14% | 0.141 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 130.1 | 174.5 | -173.8 | 66.8 | 0 | 0 | 0 | 110.1 | P75 F108 E109 I111 E142 | P75-L140 HydrophobicContact CB-CD1 4.18Å; P75-L140 HydrophobicContact CG-CD1 3.44Å; P75-L140 VanDerWaalsContact CG-CD1 3.44Å; F108-L140 WeakPolarHBondContact CD1-O 3.41Å; E109-L140 HydrophobicContact CB-CB 4.21Å; E109-L140 PolarHBondContact O-N 2.85Å; I111-L140 HydrophobicContact CD1-CB 4.08Å; I111-L140 HydrophobicContact CD1-CD1 4.4Å; I111-L140 HydrophobicContact CG1-CB 3.89Å; L140-E142 HydrophobicContact CD1-CG 3.87Å; L140-E142 HydrophobicContact CD2-CG 4.19Å; L140-E142 HydrophobicContact CG-CG 3.95Å |
| 141 | C | 90.7 | Very high | 91.1 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | trans | -123.4 | 68 | -179.7 | -59.4 | 0 | 0 | 0 | 0 | 109.7 | S79 F108 M149 | S79-C141 PolarHBondContact O-N 2.8Å; F108-C141 HydrophobicContact CD1-CB 4.39Å; F108-C141 HydrophobicContact CE1-CB 4.08Å; C141-M149 HydrophobicContact CB-CG 3.93Å; C141-M149 HydrophobicContact CB-SD 3.56Å; C141-M149 VanDerWaalsContact CB-SD 3.56Å | ||
| 142 | E | 82 | Confident | 91.1 | Very high | 140 Ų | 140 | 39.3 Ų | 39.3 | 65% | 0.654 | 22% | 0.218 | S | C | * | . | trans | -88.6 | 145.7 | -179.4 | -82.4 | -173 | 174.9 | 0 | 0 | 113.2 | L140 L144 | L140-E142 HydrophobicContact CD1-CG 3.87Å; L140-E142 HydrophobicContact CD2-CG 4.19Å; L140-E142 HydrophobicContact CG-CG 3.95Å; E142-L144 VanDerWaalsContact C-N 3.3Å; E142-L144 PolarHBondContact O-N 3.27Å | ||
| 143 | G | 79.8 | Confident | 91.1 | Very high | 87 Ų | 87 | 38.4 Ų | 38.4 | 90% | 0.897 | 21% | 0.213 | S | C | * | . | S | Bend | trans | 74.4 | 11 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 144 | L | 82.7 | Confident | 91.1 | Very high | 51 Ų | 51 | 37.1 Ų | 37.1 | 27% | 0.267 | 21% | 0.205 | S | C | . | . | trans | -107.1 | 145.1 | 179.2 | -60.3 | 173.3 | 0 | 0 | 0 | 111.1 | F108 E142 E148 M149 | F108-L144 HydrophobicContact CD1-CD1 4.46Å; F108-L144 HydrophobicContact CE1-CD1 3.61Å; F108-L144 HydrophobicContact CZ-CD1 4.18Å; E142-L144 VanDerWaalsContact C-N 3.3Å; E142-L144 PolarHBondContact O-N 3.27Å; L144-E148 HydrophobicContact CD2-CG 3.95Å; L144-M149 HydrophobicContact CB-CB 4.23Å | ||
| 145 | D | 87.4 | Confident | 91 | Very high | 96 Ų | 96 | 37.3 Ų | 37.3 | 51% | 0.513 | 21% | 0.207 | S | C | . | . | trans | -67.5 | 158.8 | 164.4 | 77.5 | 61.7 | 0 | 0 | 0 | 110.6 | A147 E148 M149 | D145-A147 VanDerWaalsContact C-N 3.31Å; D145-A147 PolarHBondContact O-N 3.19Å; D145-A147 WeakPolarHBondContact OD1-CA 3.47Å; D145-A147 WeakPolarHBondContact OD1-CB 3.24Å; D145-A147 PolarHBondContact OD1-N 3.09Å; D145-E148 PolarHBondContact O-N 3.02Å; D145-E148 WeakPolarHBondContact OD1-CB 3.44Å; D145-E148 PolarHBondContact OD1-N 3.4Å; D145-M149 WeakPolarHBondContact O-CB 3.47Å; D145-M149 PolarHBondContact O-N 2.93Å | ||
| 146 | E | 86 | Confident | 90.9 | Very high | 98 Ų | 98 | 36 Ų | 36 | 46% | 0.458 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.3 | -39.2 | -175 | -173.7 | 175.7 | 170.3 | 0 | 0 | 112.7 | R78 Q150 | R78-E146 IonicContact NH1-OE2 2.71Å; E146-Q150 WeakPolarHBondContact O-CB 3.35Å; E146-Q150 WeakPolarHBondContact O-CG 3.4Å; E146-Q150 PolarHBondContact O-N 3.25Å |
| 147 | A | 86.1 | Confident | 90.8 | Very high | 50 Ų | 50 | 36.1 Ų | 36.1 | 41% | 0.413 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.6 | -42.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D145 Q150 R151 | D145-A147 VanDerWaalsContact C-N 3.31Å; D145-A147 PolarHBondContact O-N 3.19Å; D145-A147 WeakPolarHBondContact OD1-CA 3.47Å; D145-A147 WeakPolarHBondContact OD1-CB 3.24Å; D145-A147 PolarHBondContact OD1-N 3.09Å; A147-Q150 PolarHBondContact O-N 2.95Å; A147-R151 WeakPolarHBondContact O-CG 3.28Å; A147-R151 PolarHBondContact O-N 3.2Å |
| 148 | E | 88.7 | Confident | 90.6 | Very high | 41 Ų | 41 | 36.3 Ų | 36.3 | 19% | 0.192 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.1 | -43.1 | 176.7 | -177.1 | 62.9 | -175.4 | 0 | 0 | 111.9 | L144 D145 Q150 R151 R152 | L144-E148 HydrophobicContact CD2-CG 3.95Å; D145-E148 PolarHBondContact O-N 3.02Å; D145-E148 WeakPolarHBondContact OD1-CB 3.44Å; D145-E148 PolarHBondContact OD1-N 3.4Å; E148-Q150 VanDerWaalsContact C-N 3.35Å; E148-Q150 PolarHBondContact O-N 3Å; E148-R151 VanDerWaalsContact CA-NH2 3.25Å; E148-R151 PolarHBondContact O-N 3.32Å; E148-R151 IonicContact OE2-CZ 3.72Å; E148-R151 VanDerWaalsContact OE2-CZ 3.27Å; E148-R151 IonicContact OE2-NE 2.78Å; E148-R151 PolarHBondContact OE2-NE 2.96Å; E148-R151 IonicContact OE2-NH2 3.15Å; E148-R151 PolarHBondContact OE2-NH2 2.81Å; E148-R152 WeakPolarHBondContact O-CG 3.4Å; E148-R152 PolarHBondContact O-N 2.9Å; E148-R152 IonicContact OE1-CZ 2.61Å; E148-R152 VanDerWaalsContact OE1-CZ 3.25Å; E148-R152 IonicContact OE1-NE 3.25Å; E148-R152 PolarHBondContact OE1-NE 3.13Å; E148-R152 IonicContact OE1-NH2 2.74Å; E148-R152 PolarHBondContact OE1-NH2 3.17Å |
| 149 | M | 90.8 | Very high | 90.3 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 3% | 0.034 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57 | -49.5 | 173.7 | 180 | -175.5 | 63.3 | 0 | 0 | 110.7 | C141 L144 D145 R151 R152 L153 A178 | C141-M149 HydrophobicContact CB-CG 3.93Å; C141-M149 HydrophobicContact CB-SD 3.56Å; C141-M149 VanDerWaalsContact CB-SD 3.56Å; L144-M149 HydrophobicContact CB-CB 4.23Å; D145-M149 WeakPolarHBondContact O-CB 3.47Å; D145-M149 PolarHBondContact O-N 2.93Å; M149-R151 PolarHBondContact O-N 3.42Å; M149-R152 PolarHBondContact O-N 2.94Å; M149-L153 HydrophobicContact CG-CD1 3.85Å; M149-L153 HydrophobicContact CG-CG 4.39Å; M149-L153 WeakPolarHBondContact O-CB 3.38Å; M149-L153 VanDerWaalsContact O-CG 3.27Å; M149-L153 WeakPolarHBondContact O-CG 3.32Å; M149-L153 PolarHBondContact O-N 3.4Å; M149-A178 HydrophobicContact CE-CB 3.44Å; M149-A178 VanDerWaalsContact CE-CB 3.44Å; M149-A178 HydrophobicContact SD-CB 3.94Å |
| 150 | Q | 90 | Very high | 90.1 | Very high | 15 Ų | 15 | 38.2 Ų | 38.2 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.9 | -39.5 | -179.9 | -66.8 | -75.3 | -13.1 | 0 | 0 | 112.2 | E146 A147 E148 F154 D179 R290 | E146-Q150 WeakPolarHBondContact O-CB 3.35Å; E146-Q150 WeakPolarHBondContact O-CG 3.4Å; E146-Q150 PolarHBondContact O-N 3.25Å; A147-Q150 PolarHBondContact O-N 2.95Å; E148-Q150 VanDerWaalsContact C-N 3.35Å; E148-Q150 PolarHBondContact O-N 3Å; Q150-F154 WeakPolarHBondContact O-CB 3.26Å; Q150-F154 PolarHBondContact O-N 3.47Å; Q150-D179 PolarHBondContact NE2-OD2 3.38Å; Q150-R290 VanDerWaalsContact OE1-CZ 3.29Å; Q150-R290 VanDerWaalsContact OE1-NH2 3.14Å |
| 151 | R | 90.5 | Very high | 89.8 | Confident | 31 Ų | 31 | 37.6 Ų | 37.6 | 12% | 0.117 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.3 | -48.1 | 175.2 | -76.6 | -172 | -63.1 | -93.4 | -2.9 | 111.8 | A147 E148 M149 F154 L155 F260 E293 | A147-R151 WeakPolarHBondContact O-CG 3.28Å; A147-R151 PolarHBondContact O-N 3.2Å; E148-R151 VanDerWaalsContact CA-NH2 3.25Å; E148-R151 PolarHBondContact O-N 3.32Å; E148-R151 IonicContact OE2-CZ 3.72Å; E148-R151 VanDerWaalsContact OE2-CZ 3.27Å; E148-R151 IonicContact OE2-NE 2.78Å; E148-R151 PolarHBondContact OE2-NE 2.96Å; E148-R151 IonicContact OE2-NH2 3.15Å; E148-R151 PolarHBondContact OE2-NH2 2.81Å; M149-R151 PolarHBondContact O-N 3.42Å; R151-F154 WeakPolarHBondContact O-CB 3.48Å; R151-F154 PolarHBondContact O-N 3.43Å; R151-L155 PolarHBondContact O-N 3.23Å; R151-F260 HydrophobicContact CB-CE1 4.17Å; R151-F260 HydrophobicContact CB-CE2 4.49Å; R151-F260 HydrophobicContact CB-CZ 3.81Å; R151-F260 HydrophobicContact CG-CE2 4.12Å; R151-F260 HydrophobicContact CG-CZ 3.87Å; R151-E293 IonicContact CZ-OE1 2.72Å; R151-E293 IonicContact NE-OE1 2.87Å; R151-E293 IonicContact NH1-OE1 3.19Å; R151-E293 PolarHBondContact NH1-OE1 3.49Å |
| 152 | R | 92.3 | Very high | 89.6 | Confident | 82 Ų | 82 | 38.1 Ų | 38.1 | 31% | 0.309 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.3 | -38.3 | 179.8 | -70 | -172.8 | -169.1 | -171.6 | 6 | 112.7 | F108 E148 M149 F154 L155 L156 | F108-R152 HydrophobicContact CE2-CB 3.54Å; F108-R152 HydrophobicContact CZ-CB 3.46Å; F108-R152 VanDerWaalsContact CZ-CB 3.46Å; E148-R152 WeakPolarHBondContact O-CG 3.4Å; E148-R152 PolarHBondContact O-N 2.9Å; E148-R152 IonicContact OE1-CZ 2.61Å; E148-R152 VanDerWaalsContact OE1-CZ 3.25Å; E148-R152 IonicContact OE1-NE 3.25Å; E148-R152 PolarHBondContact OE1-NE 3.13Å; E148-R152 IonicContact OE1-NH2 2.74Å; E148-R152 PolarHBondContact OE1-NH2 3.17Å; M149-R152 PolarHBondContact O-N 2.94Å; R152-F154 VanDerWaalsContact C-N 3.33Å; R152-L155 PolarHBondContact O-N 3.48Å; R152-L156 WeakPolarHBondContact O-CB 3.28Å; R152-L156 PolarHBondContact O-N 2.88Å |
| 153 | L | 94.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 173.6 | -72.9 | 171.9 | 0 | 0 | 0 | 111.7 | A81 F108 M149 L156 R157 A178 | A81-L153 HydrophobicContact CB-CD1 3.69Å; A81-L153 HydrophobicContact CB-CD2 3.62Å; A81-L153 HydrophobicContact CB-CG 4.32Å; F108-L153 HydrophobicContact CE2-CD2 4.08Å; F108-L153 HydrophobicContact CE2-CG 4.35Å; F108-L153 HydrophobicContact CZ-CD2 4.08Å; F108-L153 HydrophobicContact CZ-CG 4.04Å; M149-L153 HydrophobicContact CG-CD1 3.85Å; M149-L153 HydrophobicContact CG-CG 4.39Å; M149-L153 WeakPolarHBondContact O-CB 3.38Å; M149-L153 VanDerWaalsContact O-CG 3.27Å; M149-L153 WeakPolarHBondContact O-CG 3.32Å; M149-L153 PolarHBondContact O-N 3.4Å; L153-L156 PolarHBondContact O-N 3.37Å; L153-R157 WeakPolarHBondContact O-CB 3.31Å; L153-R157 PolarHBondContact O-N 3.13Å; L153-A178 HydrophobicContact CD1-CB 4.41Å |
| 154 | F | 94 | Very high | 90.3 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.4 | -46.6 | 174.1 | 179.1 | -109.2 | 0 | 0 | 0 | 111.8 | Q150 R151 R152 R157 K158 F260 L267 E286 F287 R290 | Q150-F154 WeakPolarHBondContact O-CB 3.26Å; Q150-F154 PolarHBondContact O-N 3.47Å; R151-F154 WeakPolarHBondContact O-CB 3.48Å; R151-F154 PolarHBondContact O-N 3.43Å; R152-F154 VanDerWaalsContact C-N 3.33Å; F154-R157 PolarHBondContact O-N 3.15Å; F154-K158 HydrophobicContact CD2-CG 4.47Å; F154-K158 HydrophobicContact CE1-CG 4.18Å; F154-K158 HydrophobicContact CE2-CD 4.34Å; F154-K158 HydrophobicContact CE2-CG 4.09Å; F154-K158 HydrophobicContact CZ-CD 4.24Å; F154-K158 HydrophobicContact CZ-CG 3.92Å; F154-K158 WeakPolarHBondContact O-CG 3.47Å; F154-K158 PolarHBondContact O-N 3.07Å; F154-F260 HydrophobicContact CD1-CZ 4.19Å; F154-L267 HydrophobicContact CD1-CD2 3.9Å; F154-L267 HydrophobicContact CE1-CD1 4.17Å; F154-L267 HydrophobicContact CE1-CD2 3.79Å; F154-E286 HydrophobicContact CD2-CG 4.01Å; F154-E286 WeakPolarHBondContact CD2-OE1 3.42Å; F154-E286 HydrophobicContact CE2-CB 4.31Å; F154-E286 HydrophobicContact CE2-CG 3.73Å; F154-F287 HydrophobicContact CE1-CD2 4.18Å; F154-F287 HydrophobicContact CZ-CB 4.24Å; F154-F287 AromaticContact CZ-CD2 3.98Å; F154-F287 HydrophobicContact CZ-CD2 3.98Å; F154-R290 HydrophobicContact CB-CB 4.13Å; F154-R290 HydrophobicContact CB-CG 4.16Å; F154-R290 HydrophobicContact CD1-CB 3.78Å; F154-R290 HydrophobicContact CD2-CB 4.03Å; F154-R290 HydrophobicContact CD2-CG 3.88Å; F154-R290 HydrophobicContact CE1-CB 4.16Å; F154-R290 HydrophobicContact CE2-CB 4.39Å; F154-R290 HydrophobicContact CE2-CG 4.41Å; F154-R290 HydrophobicContact CG-CB 3.71Å; F154-R290 HydrophobicContact CG-CG 3.94Å; F154-R290 HydrophobicContact CZ-CB 4.46Å |
| 155 | L | 94.3 | Very high | 90.3 | Very high | 14 Ų | 14 | 29.3 Ų | 29.3 | 7% | 0.073 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58 | -49.2 | 175 | 177.9 | 63.3 | 0 | 0 | 0 | 111.7 | R151 R152 R157 K158 Q159 F260 D263 K266 L267 | R151-L155 PolarHBondContact O-N 3.23Å; R152-L155 PolarHBondContact O-N 3.48Å; L155-R157 VanDerWaalsContact C-N 3.32Å; L155-R157 PolarHBondContact O-N 3.02Å; L155-K158 PolarHBondContact O-N 3.23Å; L155-Q159 HydrophobicContact CD1-CG 4.18Å; L155-Q159 WeakPolarHBondContact O-CB 3.43Å; L155-Q159 WeakPolarHBondContact O-CG 3.32Å; L155-Q159 PolarHBondContact O-N 3.32Å; L155-F260 HydrophobicContact CB-CE1 4.2Å; L155-D263 HydrophobicContact CD1-CB 4.42Å; L155-D263 HydrophobicContact CD2-CB 3.93Å; L155-K266 HydrophobicContact CD1-CB 3.91Å; L155-L267 HydrophobicContact CB-CD2 4.3Å; L155-L267 HydrophobicContact CD1-CD2 3.66Å; L155-L267 HydrophobicContact CD1-CG 4.33Å |
| 156 | L | 95 | Very high | 90.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.9 | -48.4 | 177.2 | 171.1 | 62 | 0 | 0 | 0 | 111 | M99 L102 V103 C106 F108 I139 R152 L153 Q159 A160 L176 | M99-L156 HydrophobicContact CE-CD1 3.89Å; M99-L156 HydrophobicContact CE-CD2 3.86Å; M99-L156 HydrophobicContact CE-CG 3.82Å; M99-L156 HydrophobicContact SD-CD1 4.49Å; L102-L156 HydrophobicContact CB-CD1 3.73Å; V103-L156 HydrophobicContact CG2-CD1 4.09Å; V103-L156 HydrophobicContact CG2-CD2 3.9Å; C106-L156 HydrophobicContact CB-CB 4.36Å; F108-L156 HydrophobicContact CD2-CD2 4.24Å; I139-L156 HydrophobicContact CD1-CD2 3.79Å; R152-L156 WeakPolarHBondContact O-CB 3.28Å; R152-L156 PolarHBondContact O-N 2.88Å; L153-L156 PolarHBondContact O-N 3.37Å; L156-Q159 PolarHBondContact O-N 3.23Å; L156-A160 VanDerWaalsContact O-CB 3.28Å; L156-A160 WeakPolarHBondContact O-CB 3.38Å; L156-A160 PolarHBondContact O-N 3.45Å; L156-L176 HydrophobicContact CD2-CD2 3.91Å; L156-L176 HydrophobicContact CG-CD2 4.19Å |
| 157 | R | 93.8 | Very high | 90.2 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | -179.6 | -168.5 | -174.3 | 60 | 61.7 | 8.8 | 112 | L153 F154 L155 A160 S161 I173 L176 R230 E272 E286 | L153-R157 WeakPolarHBondContact O-CB 3.31Å; L153-R157 PolarHBondContact O-N 3.13Å; F154-R157 PolarHBondContact O-N 3.15Å; L155-R157 VanDerWaalsContact C-N 3.32Å; L155-R157 PolarHBondContact O-N 3.02Å; R157-A160 PolarHBondContact O-N 3.41Å; R157-S161 PolarHBondContact O-N 3.4Å; R157-S161 PolarHBondContact O-OG 3.33Å; R157-I173 HydrophobicContact CG-CB 4.4Å; R157-I173 HydrophobicContact CG-CD1 3.94Å; R157-I173 HydrophobicContact CG-CG2 4.12Å; R157-L176 HydrophobicContact CB-CD2 4.42Å; R157-R230 VanDerWaalsContact NH1-CZ 3.27Å; R157-R230 VanDerWaalsContact NH1-NH1 3.2Å; R157-E272 IonicContact NH1-OE1 3.61Å; R157-E272 PolarHBondContact NH1-OE1 3.12Å; R157-E286 IonicContact CZ-OE1 3.27Å; R157-E286 IonicContact CZ-OE2 3.02Å; R157-E286 IonicContact NE-OE1 2.67Å; R157-E286 PolarHBondContact NE-OE1 3.21Å; R157-E286 IonicContact NE-OE2 3.64Å; R157-E286 IonicContact NH1-OE2 3.98Å; R157-E286 IonicContact NH2-OE1 3.3Å; R157-E286 PolarHBondContact NH2-OE1 3.36Å; R157-E286 IonicContact NH2-OE2 2.93Å; R157-E286 PolarHBondContact NH2-OE2 3.09Å |
| 158 | K | 93.1 | Very high | 90 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.017 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.6 | -40 | 177.9 | -73.7 | -62.4 | -58.7 | 175.2 | 0 | 112.4 | F154 L155 S161 T162 L267 P269 V270 E272 | F154-K158 HydrophobicContact CD2-CG 4.47Å; F154-K158 HydrophobicContact CE1-CG 4.18Å; F154-K158 HydrophobicContact CE2-CD 4.34Å; F154-K158 HydrophobicContact CE2-CG 4.09Å; F154-K158 HydrophobicContact CZ-CD 4.24Å; F154-K158 HydrophobicContact CZ-CG 3.92Å; F154-K158 WeakPolarHBondContact O-CG 3.47Å; F154-K158 PolarHBondContact O-N 3.07Å; L155-K158 PolarHBondContact O-N 3.23Å; K158-S161 PolarHBondContact O-OG 2.8Å; K158-T162 PolarHBondContact O-N 2.66Å; K158-T162 PolarHBondContact O-OG1 3.49Å; K158-L267 HydrophobicContact CB-CD2 4.19Å; K158-L267 WeakPolarHBondContact CE-O 3.47Å; K158-L267 HydrophobicContact CG-CD2 4.18Å; K158-P269 WeakPolarHBondContact CE-O 3.45Å; K158-P269 PolarHBondContact NZ-O 3.44Å; K158-V270 PolarHBondContact NZ-O 3.22Å; K158-E272 IonicContact NZ-OE1 3.56Å |
| 159 | Q | 92.7 | Very high | 89.8 | Confident | 40 Ų | 40 | 32.1 Ų | 32.1 | 19% | 0.187 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.8 | -39.7 | 175.3 | -78 | -67.9 | -72.3 | 0 | 0 | 112 | L102 L155 L156 S163 K266 | L102-Q159 HydrophobicContact CD2-CB 4.21Å; L155-Q159 HydrophobicContact CD1-CG 4.18Å; L155-Q159 WeakPolarHBondContact O-CB 3.43Å; L155-Q159 WeakPolarHBondContact O-CG 3.32Å; L155-Q159 PolarHBondContact O-N 3.32Å; L156-Q159 PolarHBondContact O-N 3.23Å; Q159-S163 WeakPolarHBondContact O-CB 3.35Å; Q159-S163 PolarHBondContact O-N 3.34Å; Q159-S163 PolarHBondContact O-OG 3.34Å; Q159-K266 HydrophobicContact CG-CB 4.2Å; Q159-K266 PolarHBondContact NE2-O 2.82Å |
| 160 | A | 92.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.8 | -48.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M99 L102 L156 R157 T162 I164 I173 | M99-A160 HydrophobicContact SD-CB 3.62Å; L102-A160 HydrophobicContact CD1-CB 3.99Å; L156-A160 VanDerWaalsContact O-CB 3.28Å; L156-A160 WeakPolarHBondContact O-CB 3.38Å; L156-A160 PolarHBondContact O-N 3.45Å; R157-A160 PolarHBondContact O-N 3.41Å; A160-T162 VanDerWaalsContact C-N 3.25Å; A160-T162 PolarHBondContact O-N 3.32Å; A160-I164 HydrophobicContact CB-CD1 3.99Å; A160-I164 VanDerWaalsContact O-CB 3.26Å; A160-I164 WeakPolarHBondContact O-CB 3.41Å; A160-I164 VanDerWaalsContact O-CG1 3.25Å; A160-I164 WeakPolarHBondContact O-CG1 3.2Å; A160-I164 PolarHBondContact O-N 3.33Å; A160-I173 HydrophobicContact CB-CD1 3.64Å |
| 161 | S | 88.3 | Confident | 89.6 | Confident | 13 Ų | 13 | 32.8 Ų | 32.8 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.2 | -35.5 | -179.5 | 60.7 | 0 | 0 | 0 | 0 | 112.7 | R157 K158 S165 E272 | R157-S161 PolarHBondContact O-N 3.4Å; R157-S161 PolarHBondContact O-OG 3.33Å; K158-S161 PolarHBondContact O-OG 2.8Å; S161-S165 WeakPolarHBondContact O-CB 3.35Å; S161-S165 PolarHBondContact O-OG 2.76Å; S161-E272 WeakPolarHBondContact CB-OE1 3.5Å; S161-E272 PolarHBondContact OG-OE1 3.1Å |
| 162 | T | 86.4 | Confident | 89.8 | Confident | 19 Ų | 19 | 31.9 Ų | 31.9 | 12% | 0.117 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -81 | -49.6 | 179.4 | -51.3 | 0 | 0 | 0 | 0 | 112.4 | K158 A160 R166 | K158-T162 PolarHBondContact O-N 2.66Å; K158-T162 PolarHBondContact O-OG1 3.49Å; A160-T162 VanDerWaalsContact C-N 3.25Å; A160-T162 PolarHBondContact O-N 3.32Å; T162-R166 VanDerWaalsContact O-CG 3.32Å; T162-R166 WeakPolarHBondContact O-CG 3.28Å; T162-R166 PolarHBondContact O-N 3.34Å; T162-R166 VanDerWaalsContact O-N 3.16Å |
| 163 | S | 88.2 | Confident | 89.9 | Confident | 30 Ų | 30 | 28 Ų | 28 | 21% | 0.21 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -74.5 | -39.4 | -170.4 | -57.6 | 0 | 0 | 0 | 0 | 112.5 | Q159 R166 Q167 | Q159-S163 WeakPolarHBondContact O-CB 3.35Å; Q159-S163 PolarHBondContact O-N 3.34Å; Q159-S163 PolarHBondContact O-OG 3.34Å; S163-R166 PolarHBondContact O-N 3.36Å; S163-Q167 WeakPolarHBondContact O-CG 3.17Å; S163-Q167 PolarHBondContact O-N 3.46Å |
| 164 | I | 88.6 | Confident | 90 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.8 | -43.7 | 179.9 | -60.5 | 173.3 | 0 | 0 | 0 | 109.9 | A98 M99 A160 R166 Q167 V169 C171 | A98-I164 HydrophobicContact CB-CG1 4.15Å; M99-I164 HydrophobicContact CB-CD1 4.25Å; A160-I164 HydrophobicContact CB-CD1 3.99Å; A160-I164 VanDerWaalsContact O-CB 3.26Å; A160-I164 WeakPolarHBondContact O-CB 3.41Å; A160-I164 VanDerWaalsContact O-CG1 3.25Å; A160-I164 WeakPolarHBondContact O-CG1 3.2Å; A160-I164 PolarHBondContact O-N 3.33Å; I164-R166 VanDerWaalsContact C-N 3.33Å; I164-R166 PolarHBondContact O-N 2.69Å; I164-Q167 WeakPolarHBondContact O-CB 3.37Å; I164-Q167 PolarHBondContact O-N 2.75Å; I164-V169 HydrophobicContact CG2-CB 3.77Å; I164-V169 HydrophobicContact CG2-CG1 3.92Å; I164-V169 PolarHBondContact O-N 2.67Å; I164-C171 HydrophobicContact CB-CB 4.22Å; I164-C171 HydrophobicContact CG2-CB 3.48Å; I164-C171 VanDerWaalsContact CG2-CB 3.48Å |
| 165 | S | 83.8 | Confident | 90.1 | Very high | 63 Ų | 63 | 27.7 Ų | 27.7 | 44% | 0.441 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -59.8 | -41.4 | 176 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | S161 Q167 G168 | S161-S165 WeakPolarHBondContact O-CB 3.35Å; S161-S165 PolarHBondContact O-OG 2.76Å; S165-Q167 PolarHBondContact O-N 2.82Å; S165-G168 PolarHBondContact O-N 2.84Å |
| 166 | R | 85 | Confident | 90.1 | Very high | 195 Ų | 195 | 27.7 Ų | 27.7 | 74% | 0.736 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -62 | -24 | 175.4 | -77.6 | 176.4 | -178.2 | 168.5 | 3.3 | 113.8 | T162 S163 I164 G168 | T162-R166 VanDerWaalsContact O-CG 3.32Å; T162-R166 WeakPolarHBondContact O-CG 3.28Å; T162-R166 PolarHBondContact O-N 3.34Å; T162-R166 VanDerWaalsContact O-N 3.16Å; S163-R166 PolarHBondContact O-N 3.36Å; I164-R166 VanDerWaalsContact C-N 3.33Å; I164-R166 PolarHBondContact O-N 2.69Å; R166-G168 PolarHBondContact O-N 2.98Å |
| 167 | Q | 85.2 | Confident | 90.1 | Very high | 87 Ų | 87 | 28.1 Ų | 28.1 | 41% | 0.407 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 6.1 | 175 | -64.5 | -177.7 | 24.4 | 0 | 0 | 113.5 | K94 S163 I164 S165 V169 | K94-Q167 PolarHBondContact NZ-O 3.12Å; S163-Q167 WeakPolarHBondContact O-CG 3.17Å; S163-Q167 PolarHBondContact O-N 3.46Å; I164-Q167 WeakPolarHBondContact O-CB 3.37Å; I164-Q167 PolarHBondContact O-N 2.75Å; S165-Q167 PolarHBondContact O-N 2.82Å; Q167-V169 VanDerWaalsContact C-N 3.33Å; Q167-V169 HydrophobicContact CB-CG2 4.46Å |
| 168 | G | 83.4 | Confident | 90.1 | Very high | 59 Ų | 59 | 28.2 Ų | 28.2 | 61% | 0.608 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 24.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N91 S165 R166 | N91-G168 PolarHBondContact ND2-O 3.25Å; S165-G168 PolarHBondContact O-N 2.84Å; R166-G168 PolarHBondContact O-N 2.98Å |
| 169 | V | 84.6 | Confident | 90.1 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | trans | -107.6 | 115.4 | 177.5 | -178.2 | 0 | 0 | 0 | 0 | 109 | F87 N91 K94 I164 Q167 C171 | F87-V169 HydrophobicContact CD1-CG1 4.48Å; N91-V169 HydrophobicContact CB-CG1 4.47Å; N91-V169 HydrophobicContact CB-CG2 4.28Å; K94-V169 HydrophobicContact CB-CG2 4.42Å; K94-V169 HydrophobicContact CD-CG2 4.04Å; K94-V169 HydrophobicContact CG-CG2 4.35Å; I164-V169 HydrophobicContact CG2-CB 3.77Å; I164-V169 HydrophobicContact CG2-CG1 3.92Å; I164-V169 PolarHBondContact O-N 2.67Å; Q167-V169 VanDerWaalsContact C-N 3.33Å; Q167-V169 HydrophobicContact CB-CG2 4.46Å; V169-C171 PolarHBondContact O-N 2.74Å; V169-C171 VanDerWaalsContact O-N 3.16Å | ||
| 170 | G | 85.7 | Confident | 90.2 | Very high | 24 Ų | 24 | 27.5 Ų | 27.5 | 25% | 0.247 | 16% | 0.16 | C | C | . | . | trans | -64.3 | 114.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | F87 D88 | F87-G170 WeakPolarHBondContact CA-O 3.45Å; D88-G170 PolarHBondContact N-O 2.74Å; D88-G170 VanDerWaalsContact OD2-CA 3.23Å; D88-G170 WeakPolarHBondContact OD2-CA 3.43Å; D88-G170 PolarHBondContact OD2-N 3.08Å; D88-G170 VanDerWaalsContact OD2-N 3.16Å | ||
| 171 | C | 90.8 | Very high | 90.4 | Very high | 12 Ų | 12 | 27.5 Ų | 27.5 | 8% | 0.081 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 118 | -179 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | F86 F87 I164 V169 | F86-C171 CarbonylContact O-C 3.56Å; F86-C171 WeakPolarHBondContact O-CA 3.39Å; F87-C171 HydrophobicContact CD1-CB 4Å; F87-C171 HydrophobicContact CE1-CB 3.92Å; F87-C171 WeakPolarHBondContact CE1-SG 3.32Å; I164-C171 HydrophobicContact CB-CB 4.22Å; I164-C171 HydrophobicContact CG2-CB 3.48Å; I164-C171 VanDerWaalsContact CG2-CB 3.48Å; V169-C171 PolarHBondContact O-N 2.74Å; V169-C171 VanDerWaalsContact O-N 3.16Å |
| 172 | Y | 93 | Very high | 90.8 | Very high | 11 Ų | 11 | 26.9 Ų | 26.9 | 4% | 0.043 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130 | 172.6 | 177.9 | -94.2 | 0 | 0 | 0 | 110.9 | F85 F86 C174 K184 E224 Y229 L275 | F85-Y172 WeakPolarHBondContact CA-O 3.38Å; F86-Y172 AromaticContact CD2-CD1 3.93Å; F86-Y172 HydrophobicContact CD2-CD1 3.93Å; F86-Y172 HydrophobicContact CE2-CD1 4.49Å; F86-Y172 PolarHBondContact N-O 3.27Å; F86-Y172 PolarHBondContact O-N 3.21Å; Y172-C174 HydrophobicContact CE1-CB 4.35Å; Y172-K184 PolarHBondContact OH-NZ 3.42Å; Y172-E224 WeakPolarHBondContact CB-OE1 3.49Å; Y172-E224 HydrophobicContact CD1-CB 4.03Å; Y172-E224 HydrophobicContact CD1-CG 4.08Å; Y172-E224 HydrophobicContact CD2-CB 3.88Å; Y172-E224 HydrophobicContact CD2-CG 4.09Å; Y172-E224 HydrophobicContact CE1-CB 4.27Å; Y172-E224 HydrophobicContact CE2-CB 4.13Å; Y172-E224 HydrophobicContact CG-CB 3.82Å; Y172-E224 HydrophobicContact CG-CG 3.69Å; Y172-Y229 WeakPolarHBondContact OH-CD1 3.08Å; Y172-L275 HydrophobicContact CE2-CD2 4.25Å |
| 173 | I | 95 | Very high | 91.3 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 104.8 | -178 | -45.9 | 179.8 | 0 | 0 | 0 | 108.5 | F85 R157 A160 L176 R230 | F85-I173 HydrophobicContact CD1-CD1 4.44Å; F85-I173 HydrophobicContact CD1-CG1 3.85Å; F85-I173 HydrophobicContact CD1-CG2 4.48Å; F85-I173 HydrophobicContact CD2-CG2 4.43Å; F85-I173 HydrophobicContact CE1-CB 4.3Å; F85-I173 HydrophobicContact CE1-CD1 3.63Å; F85-I173 HydrophobicContact CE1-CG1 3.5Å; F85-I173 HydrophobicContact CE1-CG2 4.02Å; F85-I173 HydrophobicContact CE2-CG2 3.92Å; F85-I173 HydrophobicContact CZ-CB 4.46Å; F85-I173 HydrophobicContact CZ-CD1 4.04Å; F85-I173 HydrophobicContact CZ-CG1 4.06Å; F85-I173 HydrophobicContact CZ-CG2 3.7Å; R157-I173 HydrophobicContact CG-CB 4.4Å; R157-I173 HydrophobicContact CG-CD1 3.94Å; R157-I173 HydrophobicContact CG-CG2 4.12Å; A160-I173 HydrophobicContact CB-CD1 3.64Å; I173-L176 HydrophobicContact CG2-CB 4.12Å; I173-R230 PolarHBondContact O-NE 3.26Å |
| 174 | C | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -67.7 | -45 | 180 | -64.2 | 0 | 0 | 0 | 0 | 111.5 | I84 F86 Y172 | I84-C174 HydrophobicContact CB-CB 4.34Å; I84-C174 HydrophobicContact CG2-CB 4.42Å; I84-C174 WeakPolarHBondContact O-CB 3.44Å; I84-C174 PolarHBondContact O-N 3.49Å; F86-C174 WeakPolarHBondContact CE2-SG 3.43Å; F86-C174 WeakPolarHBondContact CZ-SG 3.24Å; Y172-C174 HydrophobicContact CE1-CB 4.35Å |
| 175 | S | 95.9 | Very high | 92 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.014 | 14% | 0.14 | C | C | . | . | trans | -155.1 | 154.6 | 173.5 | 64.7 | 0 | 0 | 0 | 0 | 109.2 | G83 I84 I181 V182 | G83-S175 CarbonylContact C-O 3.25Å; G83-S175 WeakPolarHBondContact CA-O 3.49Å; I84-S175 PolarHBondContact N-O 3.06Å; S175-I181 VanDerWaalsContact OG-CD1 3.24Å; S175-I181 WeakPolarHBondContact OG-CD1 3.43Å; S175-V182 PolarHBondContact OG-N 2.98Å | ||
| 176 | L | 95.8 | Very high | 92.4 | Very high | 14 Ų | 14 | 21.8 Ų | 21.8 | 7% | 0.073 | 12% | 0.12 | C | C | . | . | trans | -153.1 | 98.3 | 166 | -178.5 | 62.8 | 0 | 0 | 0 | 107.1 | T82 F85 M99 I137 I139 L156 R157 I173 | T82-L176 WeakPolarHBondContact O-CA 3.27Å; F85-L176 HydrophobicContact CE2-CD1 4.41Å; F85-L176 HydrophobicContact CZ-CD2 4.45Å; M99-L176 HydrophobicContact CE-CD2 3.8Å; I137-L176 HydrophobicContact CG2-CD1 3.87Å; I139-L176 HydrophobicContact CD1-CD1 3.89Å; I139-L176 HydrophobicContact CD1-CD2 4.37Å; L156-L176 HydrophobicContact CD2-CD2 3.91Å; L156-L176 HydrophobicContact CG-CD2 4.19Å; R157-L176 HydrophobicContact CB-CD2 4.42Å; I173-L176 HydrophobicContact CG2-CB 4.12Å | ||
| 177 | S | 94.7 | Very high | 92.6 | Very high | 9 Ų | 9 | 12.6 Ų | 12.6 | 6% | 0.063 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -151.2 | 158.6 | -168.1 | 174.1 | 0 | 0 | 0 | 0 | 111 | I58 A81 T82 D179 T180 | I58-S177 WeakPolarHBondContact CD1-O 3.46Å; A81-S177 WeakPolarHBondContact CA-O 3.26Å; T82-S177 PolarHBondContact N-O 3.39Å; T82-S177 PolarHBondContact O-N 3.41Å; S177-D179 PolarHBondContact OG-N 3.07Å; S177-D179 VanDerWaalsContact OG-N 3.09Å; S177-T180 WeakPolarHBondContact CB-O 3.37Å; S177-T180 PolarHBondContact OG-N 2.9Å; S177-T180 PolarHBondContact OG-OG1 2.79Å |
| 178 | A | 93.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 9.2 Ų | 9.2 | 5% | 0.05 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -91.6 | -6.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I58 A81 M149 L153 | I58-A178 WeakPolarHBondContact CD1-O 3.48Å; A81-A178 HydrophobicContact CB-CB 4.46Å; M149-A178 HydrophobicContact CE-CB 3.44Å; M149-A178 VanDerWaalsContact CE-CB 3.44Å; M149-A178 HydrophobicContact SD-CB 3.94Å; L153-A178 HydrophobicContact CD1-CB 4.41Å |
| 179 | D | 92.6 | Very high | 92.9 | Very high | 20 Ų | 20 | 6.7 Ų | 6.7 | 11% | 0.107 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -122.9 | -32.8 | -175.6 | -58.4 | -77.2 | 0 | 0 | 0 | 113.5 | G57 I58 R78 Q150 S177 | G57-D179 WeakPolarHBondContact CA-O 3.17Å; I58-D179 PolarHBondContact N-O 3.2Å; R78-D179 IonicContact NE-OD1 3.32Å; R78-D179 PolarHBondContact NE-OD1 3.46Å; Q150-D179 PolarHBondContact NE2-OD2 3.38Å; S177-D179 PolarHBondContact OG-N 3.07Å; S177-D179 VanDerWaalsContact OG-N 3.09Å |
| 180 | T | 95 | Very high | 93.2 | Very high | 8 Ų | 8 | 10.2 Ų | 10.2 | 5% | 0.049 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 149.1 | -171 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | M55 T56 S177 | M55-T180 HydrophobicContact SD-CG2 4.35Å; T56-T180 WeakPolarHBondContact O-CA 3.25Å; S177-T180 WeakPolarHBondContact CB-O 3.37Å; S177-T180 PolarHBondContact OG-N 2.9Å; S177-T180 PolarHBondContact OG-OG1 2.79Å |
| 181 | I | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 140.1 | 173.4 | -169.4 | 67.5 | 0 | 0 | 0 | 110.4 | M55 T56 I58 T82 I84 S175 Y183 | M55-I181 WeakPolarHBondContact CA-O 3.34Å; T56-I181 PolarHBondContact N-O 3.02Å; T56-I181 PolarHBondContact O-N 3.3Å; T56-I181 VanDerWaalsContact OG1-CG2 3.28Å; T56-I181 WeakPolarHBondContact OG1-CG2 3.05Å; I58-I181 HydrophobicContact CG1-CB 4.3Å; T82-I181 HydrophobicContact CG2-CD1 4.21Å; I84-I181 HydrophobicContact CD1-CD1 4.06Å; I84-I181 HydrophobicContact CD1-CG1 4.08Å; I84-I181 HydrophobicContact CG1-CD1 3.88Å; I84-I181 HydrophobicContact CG1-CG1 4.45Å; S175-I181 VanDerWaalsContact OG-CD1 3.24Å; S175-I181 WeakPolarHBondContact OG-CD1 3.43Å; I181-Y183 HydrophobicContact CG1-CD2 4.33Å; I181-Y183 HydrophobicContact CG1-CE2 3.88Å; I181-Y183 HydrophobicContact CG2-CD2 4.39Å; I181-Y183 HydrophobicContact CG2-CE2 3.99Å |
| 182 | V | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 116.7 | -176.9 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | M55 I84 S175 K184 P228 | M55-V182 HydrophobicContact CB-CG2 4.07Å; M55-V182 HydrophobicContact CE-CG2 3.75Å; M55-V182 HydrophobicContact CG-CG2 3.96Å; I84-V182 WeakPolarHBondContact CD1-O 3.18Å; S175-V182 PolarHBondContact OG-N 2.98Å; V182-K184 HydrophobicContact CG1-CB 4.19Å; V182-K184 HydrophobicContact CG1-CD 3.89Å; V182-K184 HydrophobicContact CG1-CG 4.19Å; V182-P228 HydrophobicContact CG1-CB 4.36Å |
| 183 | Y | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 108.7 | 170.6 | -73.9 | -97 | 0 | 0 | 0 | 108.8 | G53 V54 Y63 I84 I181 Y196 D198 L199 F204 | G53-Y183 CarbonylContact C-O 3.49Å; G53-Y183 WeakPolarHBondContact CA-O 3.33Å; V54-Y183 PolarHBondContact N-O 3.48Å; V54-Y183 PolarHBondContact O-N 3.38Å; Y63-Y183 PolarHBondContact OH-OH 3.31Å; I84-Y183 HydrophobicContact CD1-CD1 3.79Å; I84-Y183 HydrophobicContact CD1-CD2 4.15Å; I84-Y183 HydrophobicContact CD1-CE1 3.72Å; I84-Y183 HydrophobicContact CD1-CE2 4.05Å; I84-Y183 HydrophobicContact CD1-CG 4.03Å; I181-Y183 HydrophobicContact CG1-CD2 4.33Å; I181-Y183 HydrophobicContact CG1-CE2 3.88Å; I181-Y183 HydrophobicContact CG2-CD2 4.39Å; I181-Y183 HydrophobicContact CG2-CE2 3.99Å; Y183-Y196 AromaticContact CD1-CD1 3.65Å; Y183-Y196 HydrophobicContact CD1-CD1 3.65Å; Y183-Y196 AromaticContact CD1-CD2 3.84Å; Y183-Y196 HydrophobicContact CD1-CD2 3.84Å; Y183-Y196 AromaticContact CD1-CE1 3.96Å; Y183-Y196 HydrophobicContact CD1-CE1 3.96Å; Y183-Y196 HydrophobicContact CD1-CE2 4.13Å; Y183-Y196 AromaticContact CD1-CG 3.6Å; Y183-Y196 HydrophobicContact CD1-CG 3.6Å; Y183-Y196 HydrophobicContact CE1-CD1 4.07Å; Y183-Y196 HydrophobicContact CE1-CG 4.29Å; Y183-Y196 HydrophobicContact CG-CD2 4.43Å; Y183-D198 HydrophobicContact CE1-CB 3.95Å; Y183-D198 PolarHBondContact OH-OD2 3.22Å; Y183-L199 HydrophobicContact CD2-CD2 4.11Å; Y183-L199 HydrophobicContact CG-CD2 4.14Å; Y183-L199 HydrophobicContact CG-CG 4.49Å; Y183-F204 HydrophobicContact CD2-CZ 4.44Å; Y183-F204 AromaticContact CE2-CE2 3.91Å; Y183-F204 HydrophobicContact CE2-CE2 3.91Å; Y183-F204 AromaticContact CE2-CZ 3.89Å; Y183-F204 HydrophobicContact CE2-CZ 3.89Å |
| 184 | K | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 171.1 | -178.1 | 73.8 | -175.1 | -167.3 | 168.8 | 0 | 112 | A52 F86 Y172 V182 F187 Y196 E224 A226 P228 | A52-K184 WeakPolarHBondContact O-CA 3.46Å; F86-K184 HydrophobicContact CE2-CG 4.49Å; F86-K184 HydrophobicContact CZ-CG 4.27Å; F86-K184 WeakPolarHBondContact CZ-O 3.23Å; Y172-K184 PolarHBondContact OH-NZ 3.42Å; V182-K184 HydrophobicContact CG1-CB 4.19Å; V182-K184 HydrophobicContact CG1-CD 3.89Å; V182-K184 HydrophobicContact CG1-CG 4.19Å; K184-F187 VanDerWaalsContact C-CE2 3.45Å; K184-Y196 PolarHBondContact O-OH 3.25Å; K184-E224 PolarHBondContact NZ-O 3.46Å; K184-E224 VanDerWaalsContact NZ-O 3.07Å; K184-A226 HydrophobicContact CB-CB 4.27Å; K184-A226 HydrophobicContact CD-CB 4.4Å; K184-A226 VanDerWaalsContact CD-O 3.28Å; K184-A226 WeakPolarHBondContact CD-O 3.45Å; K184-A226 WeakPolarHBondContact CE-O 3.44Å; K184-A226 HydrophobicContact CG-CB 4.37Å; K184-A226 PolarHBondContact NZ-O 2.89Å; K184-P228 WeakPolarHBondContact CD-O 3.47Å; K184-P228 PolarHBondContact NZ-O 3.41Å |
| 185 | G | 94 | Very high | 93.6 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.1 | -171.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G51 A52 F187 W223 A226 | G51-G185 WeakPolarHBondContact CA-O 3.33Å; A52-G185 PolarHBondContact N-O 2.95Å; A52-G185 PolarHBondContact O-N 2.87Å; A52-G185 VanDerWaalsContact O-N 3.1Å; A52-G185 VanDerWaalsContact O-O 3.1Å; G185-F187 WeakPolarHBondContact O-CD2 3.41Å; G185-F187 PolarHBondContact O-N 2.81Å; G185-F187 VanDerWaalsContact O-N 3.11Å; G185-W223 VanDerWaalsContact CA-CE3 3.41Å; G185-A226 VanDerWaalsContact O-CB 3.29Å; G185-A226 WeakPolarHBondContact O-CB 3.36Å |
| 186 | Q | 91.7 | Very high | 93.6 | Very high | 5 Ų | 5 | 14.4 Ų | 14.4 | 2% | 0.023 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -86.1 | 85.2 | -177.8 | -169.1 | 176.5 | -0.3 | 0 | 0 | 111.1 | G49 A127 P221 W223 | G49-Q186 WeakPolarHBondContact O-CG 3.46Å; G49-Q186 PolarHBondContact O-NE2 2.99Å; A127-Q186 HydrophobicContact CB-CB 4.12Å; A127-Q186 HydrophobicContact CB-CG 4Å; Q186-P221 VanDerWaalsContact CD-CB 3.45Å; Q186-P221 VanDerWaalsContact NE2-CB 3.32Å; Q186-P221 VanDerWaalsContact OE1-CA 3.22Å; Q186-W223 HydrophobicContact CB-CD2 4.1Å; Q186-W223 HydrophobicContact CB-CG 4.13Å; Q186-W223 HydrophobicContact CB-CZ2 4.5Å |
| 187 | F | 90.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.009 | 9% | 0.085 | C | C | . | . | trans | -129.1 | 152.4 | -173.1 | -47.5 | -54.1 | 0 | 0 | 0 | 111 | G51 A52 V123 K184 G185 Q191 L192 Y195 Y196 W223 | G51-F187 CarbonylContact C-O 3.34Å; A52-F187 HydrophobicContact CB-CB 4.22Å; V123-F187 HydrophobicContact CG1-CD1 3.57Å; V123-F187 HydrophobicContact CG1-CE1 3.69Å; K184-F187 VanDerWaalsContact C-CE2 3.45Å; G185-F187 WeakPolarHBondContact O-CD2 3.41Å; G185-F187 PolarHBondContact O-N 2.81Å; G185-F187 VanDerWaalsContact O-N 3.11Å; F187-Q191 HydrophobicContact CB-CB 3.93Å; F187-Q191 HydrophobicContact CD1-CB 4.5Å; F187-L192 HydrophobicContact CB-CB 4.44Å; F187-L192 HydrophobicContact CD2-CB 4.04Å; F187-L192 HydrophobicContact CD2-CD1 3.62Å; F187-L192 HydrophobicContact CD2-CG 4.45Å; F187-L192 HydrophobicContact CE2-CD1 3.63Å; F187-L192 HydrophobicContact CG-CB 4.47Å; F187-Y195 HydrophobicContact CD1-CG 4.41Å; F187-Y195 AromaticContact CE1-CD1 3.63Å; F187-Y195 HydrophobicContact CE1-CD1 3.63Å; F187-Y195 AromaticContact CE1-CD2 3.84Å; F187-Y195 HydrophobicContact CE1-CD2 3.84Å; F187-Y195 HydrophobicContact CE1-CE1 4.11Å; F187-Y195 HydrophobicContact CE1-CE2 4.3Å; F187-Y195 AromaticContact CE1-CG 3.47Å; F187-Y195 HydrophobicContact CE1-CG 3.47Å; F187-Y195 VanDerWaalsContact CE1-CG 3.47Å; F187-Y195 HydrophobicContact CE2-CD1 4.37Å; F187-Y195 AromaticContact CZ-CD1 3.34Å; F187-Y195 HydrophobicContact CZ-CD1 3.34Å; F187-Y195 HydrophobicContact CZ-CD2 4.41Å; F187-Y195 AromaticContact CZ-CE1 3.77Å; F187-Y195 HydrophobicContact CZ-CE1 3.77Å; F187-Y195 AromaticContact CZ-CG 3.7Å; F187-Y195 HydrophobicContact CZ-CG 3.7Å; F187-Y196 HydrophobicContact CE2-CD2 4.31Å; F187-Y196 AromaticContact CE2-CE2 3.76Å; F187-Y196 HydrophobicContact CE2-CE2 3.76Å; F187-Y196 HydrophobicContact CZ-CD2 4.45Å; F187-Y196 AromaticContact CZ-CE2 3.88Å; F187-Y196 HydrophobicContact CZ-CE2 3.88Å; F187-W223 AromaticContact CE1-CH2 3.54Å; F187-W223 HydrophobicContact CE1-CH2 3.54Å; F187-W223 HydrophobicContact CE1-CZ2 4.48Å; F187-W223 AromaticContact CE1-CZ3 3.69Å; F187-W223 HydrophobicContact CE1-CZ3 3.69Å; F187-W223 HydrophobicContact CZ-CE3 4.43Å; F187-W223 AromaticContact CZ-CH2 3.88Å; F187-W223 HydrophobicContact CZ-CH2 3.88Å; F187-W223 AromaticContact CZ-CZ3 3.51Å; F187-W223 HydrophobicContact CZ-CZ3 3.51Å | ||
| 188 | T | 88.7 | Confident | 93.5 | Very high | 17 Ų | 17 | 16.9 Ų | 16.9 | 10% | 0.104 | 8% | 0.082 | C | C | . | . | trans | -69.8 | 163.2 | 151.7 | 66.9 | 0 | 0 | 0 | 0 | 109.6 | D47 F190 Q191 | D47-T188 WeakPolarHBondContact O-CG2 3.24Å; T188-F190 PolarHBondContact O-N 2.65Å; T188-F190 VanDerWaalsContact O-N 3.1Å; T188-Q191 PolarHBondContact O-N 3.29Å; T188-Q191 VanDerWaalsContact OG1-CD 3.25Å; T188-Q191 VanDerWaalsContact OG1-CG 3.24Å; T188-Q191 WeakPolarHBondContact OG1-CG 3.28Å; T188-Q191 PolarHBondContact OG1-OE1 3.31Å | ||
| 189 | A | 86.6 | Confident | 93.5 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 4% | 0.041 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -34.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L33 H37 W193 | L33-A189 HydrophobicContact CG-CB 4.05Å; L33-A189 WeakPolarHBondContact O-CB 3.35Å; H37-A189 HydrophobicContact CB-CB 4.29Å; A189-W193 PolarHBondContact O-NE1 3.41Å |
| 190 | F | 90.4 | Very high | 93.4 | Very high | 78 Ų | 78 | 21.7 Ų | 21.7 | 34% | 0.342 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -27.9 | 179.7 | -63.5 | -80.7 | 0 | 0 | 0 | 113.7 | E34 H37 T188 | E34-F190 HydrophobicContact CB-CD1 3.97Å; E34-F190 HydrophobicContact CB-CE1 3.56Å; E34-F190 HydrophobicContact CB-CZ 4.08Å; E34-F190 HydrophobicContact CG-CD1 3.46Å; E34-F190 VanDerWaalsContact CG-CD1 3.46Å; E34-F190 HydrophobicContact CG-CE1 3.61Å; E34-F190 HydrophobicContact CG-CG 4.24Å; E34-F190 HydrophobicContact CG-CZ 4.48Å; H37-F190 HydrophobicContact CB-CE2 3.77Å; H37-F190 HydrophobicContact CB-CZ 4.45Å; H37-F190 AromaticContact CD2-CE2 3.88Å; H37-F190 AromaticContact CG-CE2 3.63Å; T188-F190 PolarHBondContact O-N 2.65Å; T188-F190 VanDerWaalsContact O-N 3.1Å |
| 191 | Q | 92.9 | Very high | 93.3 | Very high | 13 Ų | 13 | 22.5 Ų | 22.5 | 6% | 0.061 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -30.8 | -172.2 | -78 | 167.5 | -15.7 | 0 | 0 | 112.5 | D47 S122 F187 T188 W193 K194 Y195 | D47-Q191 PolarHBondContact O-NE2 3.34Å; D47-Q191 PolarHBondContact O-OE1 3.39Å; D47-Q191 PolarHBondContact OD1-NE2 3.4Å; S122-Q191 WeakPolarHBondContact O-CG 3.36Å; S122-Q191 PolarHBondContact O-NE2 3.19Å; F187-Q191 HydrophobicContact CB-CB 3.93Å; F187-Q191 HydrophobicContact CD1-CB 4.5Å; T188-Q191 PolarHBondContact O-N 3.29Å; T188-Q191 VanDerWaalsContact OG1-CD 3.25Å; T188-Q191 VanDerWaalsContact OG1-CG 3.24Å; T188-Q191 WeakPolarHBondContact OG1-CG 3.28Å; T188-Q191 PolarHBondContact OG1-OE1 3.31Å; Q191-W193 VanDerWaalsContact C-N 3.3Å; Q191-W193 PolarHBondContact O-N 3.11Å; Q191-K194 PolarHBondContact O-N 3.36Å; Q191-Y195 WeakPolarHBondContact O-CB 3.29Å; Q191-Y195 PolarHBondContact O-N 3.1Å |
| 192 | L | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -49.4 | -50.9 | -179.7 | 174.4 | 66.6 | 0 | 0 | 0 | 112.2 | L33 V54 F187 K194 Y195 Y196 L199 | L33-L192 HydrophobicContact CD2-CB 4.46Å; L33-L192 HydrophobicContact CD2-CD2 3.49Å; L33-L192 VanDerWaalsContact CD2-CD2 3.49Å; V54-L192 HydrophobicContact CB-CD2 4.26Å; V54-L192 HydrophobicContact CG1-CD2 4.14Å; F187-L192 HydrophobicContact CB-CB 4.44Å; F187-L192 HydrophobicContact CD2-CB 4.04Å; F187-L192 HydrophobicContact CD2-CD1 3.62Å; F187-L192 HydrophobicContact CD2-CG 4.45Å; F187-L192 HydrophobicContact CE2-CD1 3.63Å; F187-L192 HydrophobicContact CG-CB 4.47Å; L192-K194 VanDerWaalsContact C-N 3.27Å; L192-K194 PolarHBondContact O-N 3.03Å; L192-Y195 PolarHBondContact O-N 2.82Å; L192-Y196 HydrophobicContact CD1-CD2 3.89Å; L192-Y196 HydrophobicContact CD1-CE2 4.16Å; L192-Y196 PolarHBondContact O-N 3.34Å; L192-L199 HydrophobicContact CD1-CD1 4.31Å; L192-L199 HydrophobicContact CG-CD1 4.13Å |
| 193 | W | 93.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.6 | -20.6 | -175.9 | -48.3 | 104.4 | 0 | 0 | 0 | 113.4 | L26 A29 Q30 L33 V54 A189 Q191 L199 Q200 V211 | L26-W193 HydrophobicContact CD1-CH2 4.29Å; L26-W193 HydrophobicContact CD1-CZ3 3.86Å; L26-W193 HydrophobicContact CG-CZ3 4.13Å; A29-W193 HydrophobicContact CB-CH2 4.37Å; Q30-W193 VanDerWaalsContact CA-CE2 3.41Å; Q30-W193 HydrophobicContact CB-CD2 3.66Å; Q30-W193 HydrophobicContact CB-CE3 3.98Å; Q30-W193 HydrophobicContact CB-CG 4.2Å; Q30-W193 HydrophobicContact CB-CH2 4.03Å; Q30-W193 HydrophobicContact CB-CZ2 3.74Å; Q30-W193 HydrophobicContact CB-CZ3 4.14Å; Q30-W193 HydrophobicContact CG-CD2 3.76Å; Q30-W193 HydrophobicContact CG-CE3 4.44Å; Q30-W193 HydrophobicContact CG-CG 3.72Å; Q30-W193 HydrophobicContact CG-CZ2 4.47Å; L33-W193 HydrophobicContact CB-CZ2 4.27Å; L33-W193 HydrophobicContact CD2-CZ2 3.94Å; V54-W193 HydrophobicContact CB-CH2 4.27Å; V54-W193 HydrophobicContact CG1-CH2 4.28Å; V54-W193 HydrophobicContact CG2-CH2 4.32Å; A189-W193 PolarHBondContact O-NE1 3.41Å; Q191-W193 VanDerWaalsContact C-N 3.3Å; Q191-W193 PolarHBondContact O-N 3.11Å; W193-L199 HydrophobicContact CE3-CB 4.01Å; W193-L199 HydrophobicContact CE3-CD1 3.91Å; W193-L199 HydrophobicContact CZ3-CB 4.31Å; W193-L199 HydrophobicContact CZ3-CD1 4.05Å; W193-Q200 WeakPolarHBondContact O-CG 3.5Å; W193-Q200 PolarHBondContact O-NE2 3.49Å; W193-V211 HydrophobicContact CZ2-CG1 4.39Å |
| 194 | K | 93.2 | Very high | 92.3 | Very high | 120 Ų | 120 | 30.1 Ų | 30.1 | 52% | 0.522 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -91.8 | -26.5 | 176.6 | -63.8 | 178.4 | -176.4 | 175.5 | 0 | 112.3 | Q191 L192 | Q191-K194 PolarHBondContact O-N 3.36Å; L192-K194 VanDerWaalsContact C-N 3.27Å; L192-K194 PolarHBondContact O-N 3.03Å |
| 195 | Y | 95.4 | Very high | 92 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -78 | -49.8 | -178.7 | -179.3 | -93.8 | 0 | 0 | 0 | 111.4 | V118 N119 V123 E131 I134 F187 Q191 L192 W223 | V118-Y195 CarbonylContact C-O 3.57Å; V118-Y195 VanDerWaalsContact CA-O 3.24Å; V118-Y195 WeakPolarHBondContact CA-O 3.42Å; V118-Y195 HydrophobicContact CB-CD1 4.26Å; V118-Y195 HydrophobicContact CB-CE1 3.68Å; V118-Y195 HydrophobicContact CB-CE2 4.14Å; V118-Y195 HydrophobicContact CG1-CD1 4.19Å; V118-Y195 HydrophobicContact CG1-CE1 3.52Å; N119-Y195 PolarHBondContact N-O 3.17Å; N119-Y195 WeakPolarHBondContact O-CD2 3.43Å; V123-Y195 HydrophobicContact CG1-CD2 3.83Å; V123-Y195 HydrophobicContact CG1-CE2 4.35Å; E131-Y195 WeakPolarHBondContact OE1-CE2 3.41Å; E131-Y195 PolarHBondContact OE1-OH 2.67Å; I134-Y195 HydrophobicContact CD1-CE1 3.73Å; I134-Y195 VanDerWaalsContact CD1-OH 3.31Å; I134-Y195 WeakPolarHBondContact CD1-OH 3.47Å; F187-Y195 HydrophobicContact CD1-CG 4.41Å; F187-Y195 AromaticContact CE1-CD1 3.63Å; F187-Y195 HydrophobicContact CE1-CD1 3.63Å; F187-Y195 AromaticContact CE1-CD2 3.84Å; F187-Y195 HydrophobicContact CE1-CD2 3.84Å; F187-Y195 HydrophobicContact CE1-CE1 4.11Å; F187-Y195 HydrophobicContact CE1-CE2 4.3Å; F187-Y195 AromaticContact CE1-CG 3.47Å; F187-Y195 HydrophobicContact CE1-CG 3.47Å; F187-Y195 VanDerWaalsContact CE1-CG 3.47Å; F187-Y195 HydrophobicContact CE2-CD1 4.37Å; F187-Y195 AromaticContact CZ-CD1 3.34Å; F187-Y195 HydrophobicContact CZ-CD1 3.34Å; F187-Y195 HydrophobicContact CZ-CD2 4.41Å; F187-Y195 AromaticContact CZ-CE1 3.77Å; F187-Y195 HydrophobicContact CZ-CE1 3.77Å; F187-Y195 AromaticContact CZ-CG 3.7Å; F187-Y195 HydrophobicContact CZ-CG 3.7Å; Q191-Y195 WeakPolarHBondContact O-CB 3.29Å; Q191-Y195 PolarHBondContact O-N 3.1Å; L192-Y195 PolarHBondContact O-N 2.82Å; Y195-W223 HydrophobicContact CE1-CH2 4.27Å; Y195-W223 HydrophobicContact CE1-CZ3 4.17Å; Y195-W223 HydrophobicContact CE2-CH2 4.01Å; Y195-W223 AromaticContact CZ-CH2 3.76Å |
| 196 | Y | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -92.6 | 103.6 | 178.5 | -72 | -66.5 | 0 | 0 | 0 | 111.2 | V118 I134 Y183 K184 F187 L192 D198 L199 | V118-Y196 HydrophobicContact CG1-CD1 3.78Å; V118-Y196 HydrophobicContact CG1-CE1 3.82Å; I134-Y196 HydrophobicContact CD1-CE1 3.93Å; I134-Y196 WeakPolarHBondContact CD1-OH 3.42Å; Y183-Y196 AromaticContact CD1-CD1 3.65Å; Y183-Y196 HydrophobicContact CD1-CD1 3.65Å; Y183-Y196 AromaticContact CD1-CD2 3.84Å; Y183-Y196 HydrophobicContact CD1-CD2 3.84Å; Y183-Y196 AromaticContact CD1-CE1 3.96Å; Y183-Y196 HydrophobicContact CD1-CE1 3.96Å; Y183-Y196 HydrophobicContact CD1-CE2 4.13Å; Y183-Y196 AromaticContact CD1-CG 3.6Å; Y183-Y196 HydrophobicContact CD1-CG 3.6Å; Y183-Y196 HydrophobicContact CE1-CD1 4.07Å; Y183-Y196 HydrophobicContact CE1-CG 4.29Å; Y183-Y196 HydrophobicContact CG-CD2 4.43Å; K184-Y196 PolarHBondContact O-OH 3.25Å; F187-Y196 HydrophobicContact CE2-CD2 4.31Å; F187-Y196 AromaticContact CE2-CE2 3.76Å; F187-Y196 HydrophobicContact CE2-CE2 3.76Å; F187-Y196 HydrophobicContact CZ-CD2 4.45Å; F187-Y196 AromaticContact CZ-CE2 3.88Å; F187-Y196 HydrophobicContact CZ-CE2 3.88Å; L192-Y196 HydrophobicContact CD1-CD2 3.89Å; L192-Y196 HydrophobicContact CD1-CE2 4.16Å; L192-Y196 PolarHBondContact O-N 3.34Å; Y196-D198 PolarHBondContact O-N 3.04Å; Y196-L199 HydrophobicContact CD2-CD1 4.41Å; Y196-L199 PolarHBondContact O-N 2.83Å; Y196-L199 VanDerWaalsContact O-N 3.13Å |
| 197 | N | 94 | Very high | 91.7 | Very high | 72 Ų | 72 | 36 Ų | 36 | 39% | 0.385 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -63.1 | -25.2 | 179.3 | -67.8 | 0.9 | 0 | 0 | 0 | 112.6 | P117 L199 Q200 | P117-N197 HydrophobicContact CB-CB 4.15Å; P117-N197 HydrophobicContact CG-CB 4.04Å; P117-N197 PolarHBondContact O-N 3.47Å; N197-L199 PolarHBondContact O-N 3.44Å; N197-Q200 PolarHBondContact O-N 3.26Å; N197-Q200 VanDerWaalsContact O-N 3.13Å |
| 198 | D | 94.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -53.3 | -42 | 174.7 | -74.3 | 0.1 | 0 | 0 | 0 | 111.7 | F62 R114 P117 Y183 Y196 Q200 S201 F204 | F62-D198 HydrophobicContact CE1-CB 3.8Å; F62-D198 HydrophobicContact CZ-CB 3.83Å; F62-D198 WeakPolarHBondContact CZ-OD1 3.28Å; R114-D198 IonicContact CZ-OD1 3.69Å; R114-D198 IonicContact CZ-OD2 3.52Å; R114-D198 IonicContact NH1-OD1 3.72Å; R114-D198 IonicContact NH1-OD2 3.22Å; R114-D198 PolarHBondContact NH1-OD2 3.35Å; R114-D198 IonicContact NH2-OD1 2.75Å; R114-D198 PolarHBondContact NH2-OD1 3.13Å; R114-D198 IonicContact NH2-OD2 3.32Å; R114-D198 PolarHBondContact NH2-OD2 3.33Å; P117-D198 VanDerWaalsContact CD-OD1 3.23Å; P117-D198 WeakPolarHBondContact CD-OD1 3.33Å; P117-D198 VanDerWaalsContact CG-OD1 3.31Å; P117-D198 WeakPolarHBondContact CG-OD1 2.91Å; Y183-D198 HydrophobicContact CE1-CB 3.95Å; Y183-D198 PolarHBondContact OH-OD2 3.22Å; Y196-D198 PolarHBondContact O-N 3.04Å; D198-Q200 PolarHBondContact O-N 3Å; D198-S201 WeakPolarHBondContact O-CB 3.36Å; D198-S201 PolarHBondContact O-N 2.97Å; D198-S201 VanDerWaalsContact O-N 3.15Å; D198-F204 HydrophobicContact CB-CE2 4.41Å; D198-F204 WeakPolarHBondContact O-CD2 3.16Å |
| 199 | L | 93.8 | Very high | 92 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -70.7 | -12.7 | -176.1 | -61 | 177 | 0 | 0 | 0 | 113.2 | L26 V54 Y183 L192 W193 Y196 N197 F204 | L26-L199 HydrophobicContact CD1-CD2 4.44Å; L26-L199 WeakPolarHBondContact CD2-O 3.39Å; V54-L199 HydrophobicContact CG1-CD1 4.01Å; V54-L199 HydrophobicContact CG1-CD2 4.08Å; Y183-L199 HydrophobicContact CD2-CD2 4.11Å; Y183-L199 HydrophobicContact CG-CD2 4.14Å; Y183-L199 HydrophobicContact CG-CG 4.49Å; L192-L199 HydrophobicContact CD1-CD1 4.31Å; L192-L199 HydrophobicContact CG-CD1 4.13Å; W193-L199 HydrophobicContact CE3-CB 4.01Å; W193-L199 HydrophobicContact CE3-CD1 3.91Å; W193-L199 HydrophobicContact CZ3-CB 4.31Å; W193-L199 HydrophobicContact CZ3-CD1 4.05Å; Y196-L199 HydrophobicContact CD2-CD1 4.41Å; Y196-L199 PolarHBondContact O-N 2.83Å; Y196-L199 VanDerWaalsContact O-N 3.13Å; N197-L199 PolarHBondContact O-N 3.44Å; L199-F204 HydrophobicContact CD2-CE2 3.98Å; L199-F204 HydrophobicContact CD2-CZ 3.96Å |
| 200 | Q | 90.6 | Very high | 92.3 | Very high | 121 Ų | 121 | 35.3 Ų | 35.3 | 57% | 0.565 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -92.8 | -5.4 | 177.1 | -59.1 | -174.4 | -17.4 | 0 | 0 | 112.6 | W193 N197 D198 | W193-Q200 WeakPolarHBondContact O-CG 3.5Å; W193-Q200 PolarHBondContact O-NE2 3.49Å; N197-Q200 PolarHBondContact O-N 3.26Å; N197-Q200 VanDerWaalsContact O-N 3.13Å; D198-Q200 PolarHBondContact O-N 3Å |
| 201 | S | 91 | Very high | 92.5 | Very high | 25 Ų | 25 | 32.4 Ų | 32.4 | 18% | 0.175 | 17% | 0.165 | C | C | . | . | trans | -74 | 128.6 | -176.7 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | F62 D198 L203 F204 | F62-S201 WeakPolarHBondContact CD2-OG 3.18Å; D198-S201 WeakPolarHBondContact O-CB 3.36Å; D198-S201 PolarHBondContact O-N 2.97Å; D198-S201 VanDerWaalsContact O-N 3.15Å; S201-L203 PolarHBondContact O-N 2.65Å; S201-L203 VanDerWaalsContact O-N 3.07Å; S201-L203 PolarHBondContact OG-N 3.31Å; S201-F204 VanDerWaalsContact O-CB 3.26Å; S201-F204 WeakPolarHBondContact O-CB 3.47Å; S201-F204 PolarHBondContact O-N 3.21Å | ||
| 202 | P | 88.3 | Confident | 92.4 | Very high | 96 Ų | 96 | 32.7 Ų | 32.7 | 62% | 0.623 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -7.5 | 174.6 | 29.5 | -35.7 | 0 | 0 | 0 | 113.1 | N23 | N23-P202 PolarHBondContact ND2-O 2.87Å; N23-P202 PolarHBondContact OD1-O 3.16Å |
| 203 | L | 90.8 | Very high | 92.3 | Very high | 63 Ų | 63 | 33.8 Ų | 33.8 | 33% | 0.33 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -7.6 | 171.8 | -62.1 | 176.2 | 0 | 0 | 0 | 112.5 | F62 N65 S201 K205 | F62-L203 HydrophobicContact CB-CB 4.14Å; F62-L203 HydrophobicContact CD2-CB 4.28Å; N65-L203 HydrophobicContact CB-CD1 4.2Å; N65-L203 WeakPolarHBondContact ND2-CD1 3.49Å; S201-L203 PolarHBondContact O-N 2.65Å; S201-L203 VanDerWaalsContact O-N 3.07Å; S201-L203 PolarHBondContact OG-N 3.31Å; L203-K205 VanDerWaalsContact C-N 3.28Å; L203-K205 PolarHBondContact O-N 2.99Å |
| 204 | F | 93.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | trans | -76.4 | 81.3 | 179.3 | -157.2 | -63.9 | 0 | 0 | 0 | 110.2 | L26 T56 P59 F62 Y183 D198 L199 S201 | L26-F204 HydrophobicContact CD2-CB 4.05Å; L26-F204 HydrophobicContact CD2-CD1 3.72Å; L26-F204 HydrophobicContact CD2-CE1 4.41Å; L26-F204 HydrophobicContact CD2-CG 3.98Å; T56-F204 HydrophobicContact CG2-CE1 4.08Å; P59-F204 HydrophobicContact CB-CD1 3.84Å; P59-F204 HydrophobicContact CB-CD2 4.21Å; P59-F204 HydrophobicContact CB-CE1 3.95Å; P59-F204 HydrophobicContact CB-CE2 4.35Å; P59-F204 HydrophobicContact CB-CG 3.97Å; P59-F204 HydrophobicContact CB-CZ 4.22Å; P59-F204 HydrophobicContact CG-CD1 4.12Å; P59-F204 HydrophobicContact CG-CD2 3.89Å; P59-F204 HydrophobicContact CG-CE1 3.83Å; P59-F204 HydrophobicContact CG-CE2 3.62Å; P59-F204 HydrophobicContact CG-CG 4.15Å; P59-F204 HydrophobicContact CG-CZ 3.58Å; F62-F204 AromaticContact CD1-CD2 3.99Å; F62-F204 HydrophobicContact CD1-CD2 3.99Å; F62-F204 HydrophobicContact CD1-CE2 4.46Å; F62-F204 HydrophobicContact CE1-CD2 4.27Å; F62-F204 HydrophobicContact CG-CD2 4.45Å; Y183-F204 HydrophobicContact CD2-CZ 4.44Å; Y183-F204 AromaticContact CE2-CE2 3.91Å; Y183-F204 HydrophobicContact CE2-CE2 3.91Å; Y183-F204 AromaticContact CE2-CZ 3.89Å; Y183-F204 HydrophobicContact CE2-CZ 3.89Å; D198-F204 HydrophobicContact CB-CE2 4.41Å; D198-F204 WeakPolarHBondContact O-CD2 3.16Å; L199-F204 HydrophobicContact CD2-CE2 3.98Å; L199-F204 HydrophobicContact CD2-CZ 3.96Å; S201-F204 VanDerWaalsContact O-CB 3.26Å; S201-F204 WeakPolarHBondContact O-CB 3.47Å; S201-F204 PolarHBondContact O-N 3.21Å | ||
| 205 | K | 90.3 | Very high | 91.5 | Very high | 70 Ų | 70 | 31.1 Ų | 31.1 | 30% | 0.304 | 16% | 0.163 | S | C | . | . | trans | -90.3 | 128.6 | 178.2 | -72.1 | -176.5 | -175.6 | 162.4 | 0 | 110.6 | F22 N23 E61 L203 | F22-K205 HydrophobicContact CB-CB 3.43Å; F22-K205 VanDerWaalsContact CB-CB 3.43Å; F22-K205 HydrophobicContact CB-CD 4.02Å; F22-K205 HydrophobicContact CB-CG 3.6Å; F22-K205 HydrophobicContact CD2-CD 4.28Å; F22-K205 HydrophobicContact CG-CB 4.04Å; F22-K205 HydrophobicContact CG-CD 4.41Å; F22-K205 HydrophobicContact CG-CG 4.4Å; N23-K205 VanDerWaalsContact OD1-CG 3.31Å; N23-K205 WeakPolarHBondContact OD1-CG 3.37Å; E61-K205 IonicContact OE1-NZ 2.64Å; E61-K205 PolarHBondContact OE1-NZ 2.7Å; E61-K205 WeakPolarHBondContact OE2-CE 3.35Å; E61-K205 IonicContact OE2-NZ 3.53Å; E61-K205 PolarHBondContact OE2-NZ 3.15Å; L203-K205 VanDerWaalsContact C-N 3.28Å; L203-K205 PolarHBondContact O-N 2.99Å | ||
| 206 | T | 90.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | trans | -139.1 | 146.5 | 174.9 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | F22 I25 L26 T56 G57 I208 | F22-T206 PolarHBondContact O-N 3.21Å; I25-T206 HydrophobicContact CB-CG2 4.36Å; I25-T206 WeakPolarHBondContact CD1-O 3.35Å; I25-T206 HydrophobicContact CG2-CG2 3.91Å; L26-T206 HydrophobicContact CB-CG2 4.46Å; T56-T206 HydrophobicContact CG2-CG2 4.22Å; G57-T206 PolarHBondContact N-OG1 3.04Å; T206-I208 PolarHBondContact OG1-N 3.41Å; T206-I208 PolarHBondContact OG1-O 2.96Å | ||
| 207 | H | 87.5 | Confident | 89.5 | Confident | 55 Ų | 55 | 32.5 Ų | 32.5 | 26% | 0.255 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -91.2 | -14.5 | 174.2 | 61.2 | -64.8 | 0 | 0 | 0 | 113.5 | L17 F22 G343 | L17-H207 WeakPolarHBondContact CD2-O 3.34Å; F22-H207 HydrophobicContact CD1-CB 4.47Å; F22-H207 HydrophobicContact CE1-CB 4.11Å; H207-G343 PolarHBondContact NE2-O 2.81Å |
| 208 | I | 91.5 | Very high | 88.3 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | trans | -138.5 | 142.5 | -178.4 | -65.7 | 169.6 | 0 | 0 | 0 | 109.3 | L17 T56 T206 G343 I346 T386 | L17-I208 HydrophobicContact CD2-CG1 4.1Å; L17-I208 HydrophobicContact CG-CG1 4.26Å; T56-I208 WeakPolarHBondContact CA-O 3.38Å; T206-I208 PolarHBondContact OG1-N 3.41Å; T206-I208 PolarHBondContact OG1-O 2.96Å; I208-G343 WeakPolarHBondContact CD1-O 3.27Å; I208-I346 HydrophobicContact CD1-CB 4.48Å; I208-I346 HydrophobicContact CD1-CG2 4.32Å; I208-I346 HydrophobicContact CG1-CG2 4.36Å; I208-I346 HydrophobicContact CG2-CB 4.26Å; I208-I346 HydrophobicContact CG2-CD1 3.36Å; I208-I346 HydrophobicContact CG2-CG1 4.36Å; I208-I346 HydrophobicContact CG2-CG2 4.39Å; I208-T386 HydrophobicContact CD1-CG2 3.56Å; I208-T386 HydrophobicContact CG1-CG2 3.86Å | ||
| 209 | A | 93.2 | Very high | 86.7 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 135.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I25 A29 V54 M55 | I25-A209 HydrophobicContact CG2-CB 3.87Å; A29-A209 HydrophobicContact CB-CB 3.7Å; V54-A209 HydrophobicContact CG2-CB 4.47Å; M55-A209 CarbonylContact O-C 3.59Å; M55-A209 WeakPolarHBondContact O-CA 3.34Å |
| 210 | M | 93.8 | Very high | 85.4 | Confident | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 115.2 | 171.1 | 175.5 | 178.7 | 59.3 | 0 | 0 | 108.1 | V54 M55 P228 S233 T339 C341 I346 | V54-M210 CarbonylContact C-O 3.55Å; V54-M210 WeakPolarHBondContact CA-O 3.21Å; M55-M210 HydrophobicContact CB-CB 4.35Å; M55-M210 HydrophobicContact CB-CE 3.95Å; M55-M210 HydrophobicContact CE-CE 3.58Å; M55-M210 HydrophobicContact CG-CE 4.38Å; M55-M210 PolarHBondContact N-O 2.88Å; M55-M210 PolarHBondContact O-N 3.37Å; M55-M210 HydrophobicContact SD-CE 3.56Å; M55-M210 VanDerWaalsContact SD-CE 3.56Å; M210-P228 HydrophobicContact CE-CB 3.82Å; M210-P228 HydrophobicContact CE-CG 4.1Å; M210-P228 HydrophobicContact CG-CG 4.5Å; M210-P228 WeakPolarHBondContact O-CG 3.35Å; M210-S233 WeakPolarHBondContact CE-OG 3.46Å; M210-S233 PolarHBondContact SD-OG 3.2Å; M210-S233 VanDerWaalsContact SD-OG 3.38Å; M210-T339 PolarHBondContact SD-OG1 3.05Å; M210-C341 HydrophobicContact CE-CB 4.28Å; M210-I346 HydrophobicContact CB-CD1 4.15Å |
| 211 | V | 93.8 | Very high | 84.3 | Confident | 17 Ų | 17 | 32.8 Ų | 32.8 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 153.1 | 179.5 | -57 | 0 | 0 | 0 | 0 | 110.9 | A29 M32 L33 G53 V54 W193 | A29-V211 HydrophobicContact CB-CG1 3.85Å; M32-V211 HydrophobicContact CE-CG2 3.31Å; M32-V211 HydrophobicContact CG-CG2 3.98Å; M32-V211 HydrophobicContact SD-CG2 3.59Å; M32-V211 VanDerWaalsContact SD-CG2 3.59Å; L33-V211 HydrophobicContact CB-CB 4.24Å; L33-V211 HydrophobicContact CB-CG1 4.45Å; L33-V211 HydrophobicContact CB-CG2 4.11Å; L33-V211 HydrophobicContact CD1-CB 4.16Å; L33-V211 HydrophobicContact CD1-CG2 4.23Å; L33-V211 HydrophobicContact CD2-CB 4.45Å; G53-V211 VanDerWaalsContact O-CA 3.31Å; G53-V211 WeakPolarHBondContact O-CA 3.32Å; V54-V211 HydrophobicContact CB-CG1 4Å; V54-V211 HydrophobicContact CG2-CG1 3.71Å; W193-V211 HydrophobicContact CZ2-CG1 4.39Å |
| 212 | H | 92.4 | Very high | 84 | Confident | 20 Ų | 20 | 33.9 Ų | 33.9 | 9% | 0.093 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 138.6 | 173.8 | -174.5 | -81.7 | 0 | 0 | 0 | 110.9 | A52 G53 Q227 H234 | A52-H212 VanDerWaalsContact CA-O 3.24Å; A52-H212 WeakPolarHBondContact CA-O 3.21Å; G53-H212 PolarHBondContact N-O 3.49Å; G53-H212 VanDerWaalsContact N-O 3.08Å; G53-H212 PolarHBondContact O-N 3.42Å; H212-Q227 HydrophobicContact CB-CB 3.94Å; H212-H234 PolarHBondContact NE2-O 2.85Å |
| 213 | A | 89.5 | Confident | 84.1 | Confident | 22 Ų | 22 | 29.6 Ų | 29.6 | 18% | 0.182 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 126.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | L33 | L33-A213 HydrophobicContact CD1-CB 3.83Å |
| 214 | R | 86 | Confident | 84.1 | Confident | 40 Ų | 40 | 30 Ų | 30 | 15% | 0.151 | 15% | 0.153 | C | C | . | . | trans | -94 | 141.6 | -176.7 | -176 | 173.8 | 175.9 | -104.1 | -5.1 | 110.5 | D50 G51 | D50-R214 WeakPolarHBondContact CB-O 3.34Å; G51-R214 WeakPolarHBondContact O-CB 3.24Å; G51-R214 PolarHBondContact O-N 3.44Å | ||
| 215 | F | 85.1 | Confident | 84 | Confident | 28 Ų | 28 | 33.5 Ų | 33.5 | 12% | 0.123 | 17% | 0.166 | C | C | . | . | trans | -110.5 | 120.5 | 160.6 | -159.7 | -48.9 | 0 | 0 | 0 | 107 | R39 A41 I991 E992 K1029 | R39-F215 WeakPolarHBondContact O-CD2 3.35Å; A41-F215 HydrophobicContact CB-CD1 3.76Å; A41-F215 HydrophobicContact CB-CD2 3.9Å; A41-F215 HydrophobicContact CB-CE1 3.49Å; A41-F215 VanDerWaalsContact CB-CE1 3.49Å; A41-F215 HydrophobicContact CB-CE2 3.67Å; A41-F215 HydrophobicContact CB-CG 3.95Å; A41-F215 HydrophobicContact CB-CZ 3.45Å; A41-F215 VanDerWaalsContact CB-CZ 3.45Å; F215-I991 HydrophobicContact CB-CG2 4Å; F215-I991 HydrophobicContact CD1-CB 4.44Å; F215-I991 HydrophobicContact CD1-CG1 3.95Å; F215-I991 HydrophobicContact CD1-CG2 3.56Å; F215-I991 HydrophobicContact CD2-CG2 4.38Å; F215-I991 HydrophobicContact CE1-CG1 3.62Å; F215-I991 HydrophobicContact CE1-CG2 4.11Å; F215-I991 HydrophobicContact CG-CG2 3.73Å; F215-I991 HydrophobicContact CZ-CG1 4.04Å; F215-E992 HydrophobicContact CD2-CB 4.06Å; F215-K1029 HydrophobicContact CE1-CB 4.24Å; F215-K1029 HydrophobicContact CZ-CB 4.35Å | ||
| 216 | S | 79.8 | Confident | 84.1 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | trans | -106.4 | 148.3 | 179.2 | 91.6 | 0 | 0 | 0 | 0 | 111.8 | D50 N218 K1029 | D50-S216 PolarHBondContact OD1-OG 3.22Å; D50-S216 PolarHBondContact OD2-N 2.9Å; D50-S216 PolarHBondContact OD2-OG 2.95Å; S216-N218 VanDerWaalsContact C-N 3.31Å; S216-N218 PolarHBondContact OG-O 2.77Å; S216-K1029 PolarHBondContact O-NZ 3.05Å; S216-K1029 PolarHBondContact OG-NZ 3.4Å | ||
| 217 | T | 68.3 | Low | 84.3 | Confident | 28 Ų | 28 | 30.3 Ų | 30.3 | 17% | 0.172 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -81.4 | -8.9 | 174 | 47.1 | 0 | 0 | 0 | 0 | 113.3 | T514 I1022 A1025 G1026 | T217-T514 HydrophobicContact CG2-CG2 4.02Å; T217-I1022 VanDerWaalsContact OG1-CG2 3.28Å; T217-I1022 WeakPolarHBondContact OG1-CG2 3.49Å; T217-A1025 WeakPolarHBondContact O-CB 3.31Å; T217-G1026 PolarHBondContact O-N 3.1Å; T217-G1026 VanDerWaalsContact O-N 3.1Å |
| 218 | N | 69.4 | Low | 84.6 | Confident | 30 Ų | 30 | 27.7 Ų | 27.7 | 16% | 0.16 | 14% | 0.14 | C | C | . | . | trans | -109.9 | 172.6 | 175.7 | 48.7 | 68.9 | 0 | 0 | 0 | 111.7 | S216 K1029 | S216-N218 VanDerWaalsContact C-N 3.31Å; S216-N218 PolarHBondContact OG-O 2.77Å; N218-K1029 PolarHBondContact O-NZ 3.04Å | ||
| 219 | T | 61.5 | Low | 84.8 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 5% | 0.049 | 14% | 0.14 | C | C | . | . | trans | -112.2 | 5.4 | 169 | 74.9 | 0 | 0 | 0 | 0 | 112.2 | P221 K1029 N1073 L1075 | T219-P221 VanDerWaalsContact O-CD 3.28Å; T219-P221 WeakPolarHBondContact O-CD 3.41Å; T219-K1029 HydrophobicContact CG2-CD 4.17Å; T219-N1073 WeakPolarHBondContact CA-OD1 3.46Å; T219-N1073 WeakPolarHBondContact CB-OD1 3.06Å; T219-N1073 HydrophobicContact CG2-CB 3.85Å; T219-N1073 PolarHBondContact N-OD1 3.4Å; T219-N1073 WeakPolarHBondContact OG1-CA 3.04Å; T219-N1073 WeakPolarHBondContact OG1-CB 3.41Å; T219-N1073 VanDerWaalsContact OG1-CG 3.23Å; T219-N1073 PolarHBondContact OG1-O 3.42Å; T219-N1073 PolarHBondContact OG1-OD1 3.45Å; T219-L1075 HydrophobicContact CG2-CD1 3.62Å; T219-L1075 HydrophobicContact CG2-CG 4.12Å | ||
| 220 | M | 66.4 | Low | 84.9 | Confident | 131 Ų | 131 | 28.4 Ų | 28.4 | 65% | 0.645 | 14% | 0.142 | S | C | * | . | trans | -74.5 | 114.8 | -179.6 | -73.7 | -67.4 | -118.9 | 0 | 0 | 109.3 | N222 | M220-N222 PolarHBondContact O-N 2.97Š| ||
| 221 | P | 66.8 | Low | 85 | Confident | 39 Ų | 39 | 28.3 Ų | 28.3 | 25% | 0.253 | 14% | 0.142 | S | C | . | . | trans | -64.9 | 126.4 | -176.3 | 27.3 | -35.7 | 0 | 0 | 0 | 111.3 | V126 S130 Q186 T219 | V126-P221 HydrophobicContact CG1-CB 4.03Å; V126-P221 HydrophobicContact CG1-CG 3.67Å; S130-P221 WeakPolarHBondContact OG-CB 3.4Å; Q186-P221 VanDerWaalsContact CD-CB 3.45Å; Q186-P221 VanDerWaalsContact NE2-CB 3.32Å; Q186-P221 VanDerWaalsContact OE1-CA 3.22Å; T219-P221 VanDerWaalsContact O-CD 3.28Å; T219-P221 WeakPolarHBondContact O-CD 3.41Å | ||
| 222 | N | 84.9 | Confident | 85 | Confident | 48 Ų | 48 | 27.5 Ų | 27.5 | 26% | 0.257 | 14% | 0.137 | S | C | . | . | trans | -144.2 | 108.1 | 171.8 | -173.7 | -40.7 | 0 | 0 | 0 | 110.4 | M220 E224 R225 | M220-N222 PolarHBondContact O-N 2.97Å; N222-E224 VanDerWaalsContact C-N 3.3Å; N222-E224 PolarHBondContact O-N 3.21Å; N222-E224 WeakPolarHBondContact OD1-CA 3.39Å; N222-E224 VanDerWaalsContact OD1-CB 3.25Å; N222-E224 WeakPolarHBondContact OD1-CB 3.42Å; N222-E224 PolarHBondContact OD1-N 3.37Å; N222-R225 HydrophobicContact CB-CB 4.38Å; N222-R225 HydrophobicContact CB-CG 4.18Å; N222-R225 PolarHBondContact O-N 2.94Å; N222-R225 PolarHBondContact OD1-N 3.37Å | ||
| 223 | W | 91.2 | Very high | 85.1 | Confident | 7 Ų | 7 | 26.6 Ų | 26.6 | 3% | 0.027 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -63.2 | -32.8 | -179.4 | -76.5 | 70.8 | 0 | 0 | 0 | 113.4 | F86 A127 S130 E131 P132 I134 G185 Q186 F187 Y195 R225 A226 | F86-W223 HydrophobicContact CD2-CB 4.28Å; F86-W223 HydrophobicContact CE2-CB 4.04Å; F86-W223 HydrophobicContact CZ-CE3 4.39Å; A127-W223 PolarHBondContact O-NE1 3.15Å; S130-W223 PolarHBondContact OG-NE1 3.32Å; E131-W223 HydrophobicContact CB-CH2 4.45Å; E131-W223 HydrophobicContact CB-CZ2 3.79Å; E131-W223 HydrophobicContact CG-CH2 3.99Å; E131-W223 HydrophobicContact CG-CZ2 3.84Å; P132-W223 VanDerWaalsContact CD-CD2 3.41Å; P132-W223 HydrophobicContact CG-CB 4.21Å; P132-W223 HydrophobicContact CG-CD2 4.16Å; P132-W223 HydrophobicContact CG-CE3 4.15Å; P132-W223 HydrophobicContact CG-CG 4.19Å; I134-W223 HydrophobicContact CD1-CZ3 4.47Å; G185-W223 VanDerWaalsContact CA-CE3 3.41Å; Q186-W223 HydrophobicContact CB-CD2 4.1Å; Q186-W223 HydrophobicContact CB-CG 4.13Å; Q186-W223 HydrophobicContact CB-CZ2 4.5Å; F187-W223 AromaticContact CE1-CH2 3.54Å; F187-W223 HydrophobicContact CE1-CH2 3.54Å; F187-W223 HydrophobicContact CE1-CZ2 4.48Å; F187-W223 AromaticContact CE1-CZ3 3.69Å; F187-W223 HydrophobicContact CE1-CZ3 3.69Å; F187-W223 HydrophobicContact CZ-CE3 4.43Å; F187-W223 AromaticContact CZ-CH2 3.88Å; F187-W223 HydrophobicContact CZ-CH2 3.88Å; F187-W223 AromaticContact CZ-CZ3 3.51Å; F187-W223 HydrophobicContact CZ-CZ3 3.51Å; Y195-W223 HydrophobicContact CE1-CH2 4.27Å; Y195-W223 HydrophobicContact CE1-CZ3 4.17Å; Y195-W223 HydrophobicContact CE2-CH2 4.01Å; Y195-W223 AromaticContact CZ-CH2 3.76Å; W223-R225 VanDerWaalsContact C-N 3.33Å; W223-R225 PolarHBondContact O-N 3.27Å; W223-A226 WeakPolarHBondContact O-CB 3.41Å; W223-A226 PolarHBondContact O-N 3.35Å |
| 224 | E | 91 | Very high | 85.3 | Confident | 72 Ų | 72 | 25.7 Ų | 25.7 | 34% | 0.336 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -33.4 | -176.7 | -50.5 | 175.8 | 164.8 | 0 | 0 | 111.7 | Y172 K184 N222 A226 | Y172-E224 WeakPolarHBondContact CB-OE1 3.49Å; Y172-E224 HydrophobicContact CD1-CB 4.03Å; Y172-E224 HydrophobicContact CD1-CG 4.08Å; Y172-E224 HydrophobicContact CD2-CB 3.88Å; Y172-E224 HydrophobicContact CD2-CG 4.09Å; Y172-E224 HydrophobicContact CE1-CB 4.27Å; Y172-E224 HydrophobicContact CE2-CB 4.13Å; Y172-E224 HydrophobicContact CG-CB 3.82Å; Y172-E224 HydrophobicContact CG-CG 3.69Å; K184-E224 PolarHBondContact NZ-O 3.46Å; K184-E224 VanDerWaalsContact NZ-O 3.07Å; N222-E224 VanDerWaalsContact C-N 3.3Å; N222-E224 PolarHBondContact O-N 3.21Å; N222-E224 WeakPolarHBondContact OD1-CA 3.39Å; N222-E224 VanDerWaalsContact OD1-CB 3.25Å; N222-E224 WeakPolarHBondContact OD1-CB 3.42Å; N222-E224 PolarHBondContact OD1-N 3.37Å; E224-A226 VanDerWaalsContact C-N 3.27Å; E224-A226 PolarHBondContact O-N 3.36Å |
| 225 | R | 91 | Very high | 85.6 | Confident | 74 Ų | 74 | 25.1 Ų | 25.1 | 28% | 0.279 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -8.3 | -179.9 | -67.8 | -177.9 | 177.1 | -177 | -5.2 | 114 | N222 W223 | N222-R225 HydrophobicContact CB-CB 4.38Å; N222-R225 HydrophobicContact CB-CG 4.18Å; N222-R225 PolarHBondContact O-N 2.94Å; N222-R225 PolarHBondContact OD1-N 3.37Å; W223-R225 VanDerWaalsContact C-N 3.33Å; W223-R225 PolarHBondContact O-N 3.27Å |
| 226 | A | 92.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -61.3 | 149.8 | 168 | 0 | 0 | 0 | 0 | 0 | 109.5 | K184 G185 W223 E224 | K184-A226 HydrophobicContact CB-CB 4.27Å; K184-A226 HydrophobicContact CD-CB 4.4Å; K184-A226 VanDerWaalsContact CD-O 3.28Å; K184-A226 WeakPolarHBondContact CD-O 3.45Å; K184-A226 WeakPolarHBondContact CE-O 3.44Å; K184-A226 HydrophobicContact CG-CB 4.37Å; K184-A226 PolarHBondContact NZ-O 2.89Å; G185-A226 VanDerWaalsContact O-CB 3.29Å; G185-A226 WeakPolarHBondContact O-CB 3.36Å; W223-A226 WeakPolarHBondContact O-CB 3.41Å; W223-A226 PolarHBondContact O-N 3.35Å; E224-A226 VanDerWaalsContact C-N 3.27Å; E224-A226 PolarHBondContact O-N 3.36Å |
| 227 | Q | 94 | Very high | 86.4 | Confident | 5 Ų | 5 | 28 Ų | 28 | 2% | 0.023 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -115.4 | 159.3 | 177.2 | -63.5 | -169.8 | 33.8 | 0 | 0 | 109.3 | G53 H212 Y229 S233 H234 S278 | G53-Q227 VanDerWaalsContact CA-O 3.31Å; G53-Q227 WeakPolarHBondContact CA-O 3.44Å; G53-Q227 PolarHBondContact N-O 3.19Å; G53-Q227 VanDerWaalsContact N-O 3.17Å; H212-Q227 HydrophobicContact CB-CB 3.94Å; Q227-Y229 HydrophobicContact CG-CD2 3.81Å; Q227-Y229 HydrophobicContact CG-CE2 3.57Å; Q227-S233 VanDerWaalsContact OE1-CA 3.26Å; Q227-H234 PolarHBondContact NE2-O 2.76Å; Q227-H234 VanDerWaalsContact NE2-O 3.15Å; Q227-H234 PolarHBondContact OE1-O 3.27Å; Q227-S278 PolarHBondContact NE2-OG 3.38Å |
| 228 | P | 95.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | cis | -64.3 | 156.7 | 6.3 | -27.6 | 38 | 0 | 0 | 0 | 116.8 | M55 V182 K184 M210 S233 | M55-P228 HydrophobicContact CB-CB 4.06Å; M55-P228 HydrophobicContact CB-CG 3.97Å; M55-P228 HydrophobicContact CE-CB 4.2Å; V182-P228 HydrophobicContact CG1-CB 4.36Å; K184-P228 WeakPolarHBondContact CD-O 3.47Å; K184-P228 PolarHBondContact NZ-O 3.41Å; M210-P228 HydrophobicContact CE-CB 3.82Å; M210-P228 HydrophobicContact CE-CG 4.1Å; M210-P228 HydrophobicContact CG-CG 4.5Å; M210-P228 WeakPolarHBondContact O-CG 3.35Å; P228-S233 WeakPolarHBondContact CA-OG 3.24Å; P228-S233 VanDerWaalsContact CB-OG 3.26Å; P228-S233 WeakPolarHBondContact CB-OG 3.46Å; P228-S233 WeakPolarHBondContact CG-OG 3.35Å | ||
| 229 | Y | 95.7 | Very high | 88.8 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | trans | -87.3 | -156.8 | 162.1 | -70.7 | -72 | 0 | 0 | 0 | 110.3 | M55 Y172 Q227 L232 S276 G279 D282 | M55-Y229 WeakPolarHBondContact CE-O 3.48Å; Y172-Y229 WeakPolarHBondContact OH-CD1 3.08Å; Q227-Y229 HydrophobicContact CG-CD2 3.81Å; Q227-Y229 HydrophobicContact CG-CE2 3.57Å; Y229-L232 WeakPolarHBondContact CA-O 3.41Å; Y229-L232 WeakPolarHBondContact CB-O 3.37Å; Y229-L232 PolarHBondContact N-O 3.4Å; Y229-S276 PolarHBondContact OH-OG 3.12Å; Y229-G279 VanDerWaalsContact CE2-N 3.25Å; Y229-D282 WeakPolarHBondContact CB-OD1 3.36Å; Y229-D282 WeakPolarHBondContact CB-OD2 3.36Å; Y229-D282 HydrophobicContact CD2-CB 4.42Å; Y229-D282 HydrophobicContact CG-CB 4.15Å | ||
| 230 | R | 94.5 | Very high | 90.3 | Very high | 15 Ų | 15 | 26.1 Ų | 26.1 | 6% | 0.057 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -77.7 | -35.9 | -168.3 | -63.1 | 145.2 | -170 | 161.1 | -1.7 | 111.8 | M55 R157 I173 E272 D282 E286 | M55-R230 WeakPolarHBondContact CE-O 3.16Å; R157-R230 VanDerWaalsContact NH1-CZ 3.27Å; R157-R230 VanDerWaalsContact NH1-NH1 3.2Å; I173-R230 PolarHBondContact O-NE 3.26Å; R230-E272 IonicContact CZ-OE1 3.86Å; R230-E272 IonicContact CZ-OE2 2.75Å; R230-E272 IonicContact NH1-OE1 3.38Å; R230-E272 PolarHBondContact NH1-OE1 3.34Å; R230-E272 IonicContact NH1-OE2 3.63Å; R230-E272 PolarHBondContact NH1-OE2 3.19Å; R230-E272 IonicContact NH2-OE1 3.92Å; R230-E272 IonicContact NH2-OE2 3.98Å; R230-E272 PolarHBondContact NH2-OE2 3.49Å; R230-D282 WeakPolarHBondContact CB-OD2 3.38Å; R230-D282 WeakPolarHBondContact CD-OD2 3.09Å; R230-D282 PolarHBondContact N-OD1 3.44Å; R230-D282 PolarHBondContact N-OD2 2.84Å; R230-E286 VanDerWaalsContact CD-OE2 3.24Å; R230-E286 WeakPolarHBondContact CD-OE2 3.19Å |
| 231 | V | 94.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.03 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -126.5 | -22 | 179.6 | -134.7 | 0 | 0 | 0 | 0 | 111.5 | D282 E286 L289 L296 F340 C341 | V231-D282 PolarHBondContact N-OD1 2.99Å; V231-E286 HydrophobicContact CG2-CB 3.59Å; V231-E286 HydrophobicContact CG2-CG 3.66Å; V231-L289 HydrophobicContact CG1-CD2 4Å; V231-L296 HydrophobicContact CG1-CD1 4.14Å; V231-L296 HydrophobicContact CG1-CD2 4.09Å; V231-F340 CarbonylContact O-C 3.54Å; V231-F340 WeakPolarHBondContact O-CA 2.75Å; V231-C341 VanDerWaalsContact CG1-O 3.23Å; V231-C341 WeakPolarHBondContact CG1-O 3.49Å; V231-C341 PolarHBondContact O-N 3.33Å |
| 232 | L | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 144.9 | -166.7 | -176.7 | 72.1 | 0 | 0 | 0 | 113.3 | Y229 H234 L281 D282 I285 L338 T339 F340 | Y229-L232 WeakPolarHBondContact CA-O 3.41Å; Y229-L232 WeakPolarHBondContact CB-O 3.37Å; Y229-L232 PolarHBondContact N-O 3.4Å; L232-H234 HydrophobicContact CD2-CB 4.26Å; L232-H234 HydrophobicContact CG-CB 4.49Å; L232-L281 HydrophobicContact CD2-CB 4.2Å; L232-L281 HydrophobicContact CD2-CD2 3.85Å; L232-L281 HydrophobicContact CD2-CG 3.82Å; L232-D282 HydrophobicContact CB-CB 4.12Å; L232-D282 WeakPolarHBondContact CB-OD1 3.42Å; L232-D282 HydrophobicContact CD2-CB 4.39Å; L232-D282 PolarHBondContact N-OD1 3.49Å; L232-I285 HydrophobicContact CD1-CD1 4.25Å; L232-I285 HydrophobicContact CD2-CD1 4.2Å; L232-L338 HydrophobicContact CD1-CB 3.74Å; L232-L338 HydrophobicContact CD1-CD1 4.39Å; L232-L338 HydrophobicContact CD1-CD2 3.85Å; L232-L338 HydrophobicContact CD1-CG 4.19Å; L232-L338 HydrophobicContact CD2-CD2 4.14Å; L232-L338 HydrophobicContact CG-CD2 4.42Å; L232-T339 CarbonylContact C-O 3.13Å; L232-F340 HydrophobicContact CD1-CB 4.39Å |
| 233 | S | 94.4 | Very high | 93 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 143.2 | 148.8 | -46.7 | 0 | 0 | 0 | 0 | 109.8 | M210 Q227 P228 L338 T339 | M210-S233 WeakPolarHBondContact CE-OG 3.46Å; M210-S233 PolarHBondContact SD-OG 3.2Å; M210-S233 VanDerWaalsContact SD-OG 3.38Å; Q227-S233 VanDerWaalsContact OE1-CA 3.26Å; P228-S233 WeakPolarHBondContact CA-OG 3.24Å; P228-S233 VanDerWaalsContact CB-OG 3.26Å; P228-S233 WeakPolarHBondContact CB-OG 3.46Å; P228-S233 WeakPolarHBondContact CG-OG 3.35Å; S233-L338 WeakPolarHBondContact O-CA 3.26Å; S233-T339 WeakPolarHBondContact CB-OG1 3.46Å; S233-T339 PolarHBondContact N-O 2.93Å; S233-T339 PolarHBondContact O-N 3.37Å; S233-T339 PolarHBondContact O-OG1 3.34Å |
| 234 | H | 93.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 1% | 0.014 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 115.3 | -172.4 | 175.2 | -141.3 | 0 | 0 | 0 | 109.5 | H212 Q227 L232 G236 E237 D277 S278 P335 A336 L337 L338 | H212-H234 PolarHBondContact NE2-O 2.85Å; Q227-H234 PolarHBondContact NE2-O 2.76Å; Q227-H234 VanDerWaalsContact NE2-O 3.15Å; Q227-H234 PolarHBondContact OE1-O 3.27Å; L232-H234 HydrophobicContact CD2-CB 4.26Å; L232-H234 HydrophobicContact CG-CB 4.49Å; H234-G236 WeakPolarHBondContact NE2-CA 3.46Å; H234-E237 PolarHBondContact CE1-N 2.92Å; H234-D277 IonicContact CE1-OD2 3.73Å; H234-D277 IonicContact ND1-OD2 2.82Å; H234-S278 PolarHBondContact ND1-OG 3Å; H234-P335 PolarHBondContact NE2-O 3.13Å; H234-A336 WeakPolarHBondContact NE2-CB 3.31Å; H234-L337 WeakPolarHBondContact CA-O 3.39Å; H234-L338 HydrophobicContact CB-CD2 3.75Å; H234-L338 WeakPolarHBondContact CD2-CD2 3.32Å |
| 235 | N | 91.3 | Very high | 93.2 | Very high | 27 Ų | 27 | 18.8 Ų | 18.8 | 14% | 0.144 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.7 | 162.8 | 176.3 | -99.1 | 0 | 0 | 0 | 107.5 | L337 R356 E992 | N235-L337 HydrophobicContact CB-CB 4.4Å; N235-L337 PolarHBondContact N-O 3.38Å; N235-L337 PolarHBondContact O-N 3.43Å; N235-R356 WeakPolarHBondContact O-CG 3.34Å; N235-R356 PolarHBondContact OD1-NE 3.46Å; N235-R356 PolarHBondContact OD1-NH2 3.39Å; N235-E992 PolarHBondContact ND2-OE1 2.96Å |
| 236 | G | 90.9 | Very high | 93.2 | Very high | 21 Ų | 21 | 15.7 Ų | 15.7 | 22% | 0.216 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 144.1 | -165.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H234 P335 | H234-G236 WeakPolarHBondContact NE2-CA 3.46Å; G236-P335 CarbonylContact C-O 3.51Å; G236-P335 WeakPolarHBondContact CA-O 3.46Å |
| 237 | E | 91.7 | Very high | 93.1 | Very high | 72 Ų | 72 | 16.7 Ų | 16.7 | 34% | 0.336 | 9% | 0.085 | S | C | . | . | trans | -147.3 | 133.9 | -179.4 | -170.2 | 76.3 | -160.9 | 0 | 0 | 109.2 | H234 N239 D277 G334 P335 N515 | H234-E237 PolarHBondContact CE1-N 2.92Å; E237-N239 PolarHBondContact O-N 2.93Å; E237-D277 WeakPolarHBondContact CA-OD2 3.33Å; E237-G334 CarbonylContact O-C 3.48Å; E237-G334 WeakPolarHBondContact O-CA 3.36Å; E237-P335 PolarHBondContact N-O 3.35Å; E237-P335 WeakPolarHBondContact O-CD 3.23Å; E237-N515 HydrophobicContact CB-CB 4.36Å | ||
| 238 | V | 93.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 16.7 Ų | 16.7 | 6% | 0.055 | 9% | 0.085 | C | C | . | . | trans | -87.6 | 104.3 | 173.7 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | T240 L241 D277 L281 W332 D333 | V238-T240 VanDerWaalsContact C-N 3.28Å; V238-T240 PolarHBondContact O-N 2.91Å; V238-L241 HydrophobicContact CG1-CB 4.34Å; V238-D277 HydrophobicContact CB-CB 4.22Å; V238-D277 HydrophobicContact CG2-CB 4.41Å; V238-D277 PolarHBondContact N-OD2 3.03Å; V238-L281 HydrophobicContact CG2-CD2 4.29Å; V238-W332 HydrophobicContact CG1-CB 4.41Å; V238-W332 HydrophobicContact CG1-CE3 3.89Å; V238-W332 HydrophobicContact CG2-CE3 4.41Å; V238-D333 CarbonylContact C-O 3.52Å; V238-D333 WeakPolarHBondContact CA-O 3.23Å; V238-D333 WeakPolarHBondContact CG1-O 3.17Å | ||
| 239 | N | 94 | Very high | 92.8 | Very high | 16 Ų | 16 | 21.7 Ų | 21.7 | 9% | 0.086 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -2.9 | -174.7 | 65.9 | 6.2 | 0 | 0 | 0 | 114.7 | E237 D333 G334 M721 G722 | E237-N239 PolarHBondContact O-N 2.93Å; N239-D333 PolarHBondContact N-O 3.48Å; N239-D333 PolarHBondContact OD1-O 2.98Å; N239-G334 PolarHBondContact OD1-N 2.91Å; N239-M721 HydrophobicContact CB-CG 4.22Å; N239-M721 PolarHBondContact ND2-O 3.4Å; N239-G722 PolarHBondContact ND2-O 3.48Å |
| 240 | T | 93.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 10.9 | 179 | 45.8 | 0 | 0 | 0 | 0 | 112.9 | V238 R242 G243 N244 D333 I723 S728 | V238-T240 VanDerWaalsContact C-N 3.28Å; V238-T240 PolarHBondContact O-N 2.91Å; T240-R242 VanDerWaalsContact C-N 3.35Å; T240-R242 PolarHBondContact O-N 2.86Å; T240-R242 VanDerWaalsContact O-N 3.13Å; T240-G243 PolarHBondContact O-N 3.43Å; T240-G243 VanDerWaalsContact O-N 3.11Å; T240-N244 VanDerWaalsContact O-CG 3.24Å; T240-N244 PolarHBondContact O-N 2.92Å; T240-N244 VanDerWaalsContact O-N 3.14Å; T240-N244 PolarHBondContact O-ND2 3.36Å; T240-N244 PolarHBondContact O-OD1 2.93Å; T240-N244 PolarHBondContact OG1-ND2 2.86Å; T240-D333 HydrophobicContact CG2-CB 3.98Å; T240-D333 PolarHBondContact OG1-N 3.38Å; T240-D333 PolarHBondContact OG1-O 3.16Å; T240-I723 HydrophobicContact CG2-CB 4.46Å; T240-I723 HydrophobicContact CG2-CD1 3.81Å; T240-I723 HydrophobicContact CG2-CG1 3.8Å; T240-I723 HydrophobicContact CG2-CG2 3.86Å; T240-S728 VanDerWaalsContact CG2-CB 3.44Å |
| 241 | L | 92.7 | Very high | 92.4 | Very high | 45 Ų | 45 | 21.1 Ų | 21.1 | 24% | 0.236 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -49.2 | -47.1 | -167.5 | -178.5 | 65.6 | 0 | 0 | 0 | 114.3 | V238 G243 N244 I245 D277 T280 W332 | V238-L241 HydrophobicContact CG1-CB 4.34Å; L241-G243 PolarHBondContact O-N 3.23Å; L241-N244 PolarHBondContact O-N 2.97Å; L241-I245 HydrophobicContact CD1-CD1 3.84Å; L241-I245 HydrophobicContact CD1-CG1 4.1Å; L241-I245 HydrophobicContact CD2-CD1 4.33Å; L241-I245 HydrophobicContact CG-CD1 3.7Å; L241-I245 HydrophobicContact CG-CG1 4.34Å; L241-I245 VanDerWaalsContact O-CG1 3.27Å; L241-I245 WeakPolarHBondContact O-CG1 3.4Å; L241-I245 PolarHBondContact O-N 3.12Å; L241-D277 HydrophobicContact CD1-CB 4.23Å; L241-D277 HydrophobicContact CD2-CB 3.82Å; L241-T280 HydrophobicContact CD1-CG2 4Å; L241-W332 HydrophobicContact CD1-CH2 4.46Å; L241-W332 HydrophobicContact CD1-CZ3 3.86Å |
| 242 | R | 90.7 | Very high | 92.2 | Very high | 67 Ų | 67 | 21.9 Ų | 21.9 | 25% | 0.253 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -63.3 | -42.7 | -175.7 | -169.6 | -177 | -62.8 | 163.3 | 5.2 | 112 | T240 N246 Q733 N751 | T240-R242 VanDerWaalsContact C-N 3.35Å; T240-R242 PolarHBondContact O-N 2.86Å; T240-R242 VanDerWaalsContact O-N 3.13Å; R242-N246 VanDerWaalsContact O-CG 3.23Å; R242-N246 PolarHBondContact O-N 2.82Å; R242-N246 VanDerWaalsContact O-N 3.13Å; R242-N246 PolarHBondContact O-ND2 3.31Å; R242-Q733 PolarHBondContact NH1-O 3.22Å; R242-N751 VanDerWaalsContact CZ-O 3.24Å; R242-N751 PolarHBondContact NH1-O 2.86Å |
| 243 | G | 91.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.9 | -48.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T240 L241 I245 N246 L247 | T240-G243 PolarHBondContact O-N 3.43Å; T240-G243 VanDerWaalsContact O-N 3.11Å; L241-G243 PolarHBondContact O-N 3.23Å; G243-I245 VanDerWaalsContact C-N 3.35Å; G243-I245 PolarHBondContact O-N 3.34Å; G243-N246 PolarHBondContact O-N 2.87Å; G243-N246 VanDerWaalsContact O-N 3.13Å; G243-L247 VanDerWaalsContact O-CG 3.32Å; G243-L247 WeakPolarHBondContact O-CG 3.19Å; G243-L247 PolarHBondContact O-N 3.29Å |
| 244 | N | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | -178.6 | -54.2 | -20.5 | 0 | 0 | 0 | 112.2 | T240 L241 M248 E330 W332 | T240-N244 VanDerWaalsContact O-CG 3.24Å; T240-N244 PolarHBondContact O-N 2.92Å; T240-N244 VanDerWaalsContact O-N 3.14Å; T240-N244 PolarHBondContact O-ND2 3.36Å; T240-N244 PolarHBondContact O-OD1 2.93Å; T240-N244 PolarHBondContact OG1-ND2 2.86Å; L241-N244 PolarHBondContact O-N 2.97Å; N244-M248 WeakPolarHBondContact O-CB 3.45Å; N244-M248 PolarHBondContact O-N 3.06Å; N244-E330 WeakPolarHBondContact OD1-CG 3.28Å; N244-W332 HydrophobicContact CB-CD2 3.87Å; N244-W332 VanDerWaalsContact CB-CE2 3.42Å; N244-W332 HydrophobicContact CB-CE3 4.23Å; N244-W332 HydrophobicContact CB-CG 4.48Å; N244-W332 HydrophobicContact CB-CH2 3.77Å; N244-W332 HydrophobicContact CB-CZ2 3.38Å; N244-W332 HydrophobicContact CB-CZ3 4.19Å |
| 245 | I | 92.6 | Very high | 91.5 | Very high | 32 Ų | 32 | 26.1 Ų | 26.1 | 16% | 0.164 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.1 | -48 | 174.6 | -68.4 | 167.4 | 0 | 0 | 0 | 110.7 | L241 G243 M248 R249 I271 T280 | L241-I245 HydrophobicContact CD1-CD1 3.84Å; L241-I245 HydrophobicContact CD1-CG1 4.1Å; L241-I245 HydrophobicContact CD2-CD1 4.33Å; L241-I245 HydrophobicContact CG-CD1 3.7Å; L241-I245 HydrophobicContact CG-CG1 4.34Å; L241-I245 VanDerWaalsContact O-CG1 3.27Å; L241-I245 WeakPolarHBondContact O-CG1 3.4Å; L241-I245 PolarHBondContact O-N 3.12Å; G243-I245 VanDerWaalsContact C-N 3.35Å; G243-I245 PolarHBondContact O-N 3.34Å; I245-M248 PolarHBondContact O-N 3.15Å; I245-R249 WeakPolarHBondContact O-CG 3.49Å; I245-R249 PolarHBondContact O-N 3.19Å; I245-I271 HydrophobicContact CB-CD1 4.23Å; I245-I271 HydrophobicContact CG1-CD1 4Å; I245-I271 HydrophobicContact CG2-CD1 4.23Å; I245-T280 HydrophobicContact CD1-CG2 4.28Å; I245-T280 HydrophobicContact CG1-CG2 3.83Å |
| 246 | N | 89.9 | Confident | 91.4 | Very high | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.043 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.8 | -43.1 | -177.3 | -72.3 | -18.3 | 0 | 0 | 0 | 111.8 | R242 G243 R249 A250 I641 | R242-N246 VanDerWaalsContact O-CG 3.23Å; R242-N246 PolarHBondContact O-N 2.82Å; R242-N246 VanDerWaalsContact O-N 3.13Å; R242-N246 PolarHBondContact O-ND2 3.31Å; G243-N246 PolarHBondContact O-N 2.87Å; G243-N246 VanDerWaalsContact O-N 3.13Å; N246-R249 PolarHBondContact O-N 3.45Å; N246-A250 WeakPolarHBondContact O-CB 3.44Å; N246-A250 PolarHBondContact O-N 2.93Å; N246-I641 HydrophobicContact CB-CD1 4.37Å |
| 247 | L | 91.3 | Very high | 91.4 | Very high | 22 Ų | 22 | 27.8 Ų | 27.8 | 12% | 0.115 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.3 | -41.9 | 177.9 | -66.3 | 172.8 | 0 | 0 | 0 | 111.1 | G243 R249 A250 R251 E330 M647 | G243-L247 VanDerWaalsContact O-CG 3.32Å; G243-L247 WeakPolarHBondContact O-CG 3.19Å; G243-L247 PolarHBondContact O-N 3.29Å; L247-R249 VanDerWaalsContact C-N 3.33Å; L247-R249 PolarHBondContact O-N 3.17Å; L247-A250 PolarHBondContact O-N 2.88Å; L247-A250 VanDerWaalsContact O-N 3.15Å; L247-R251 WeakPolarHBondContact O-CG 3.16Å; L247-R251 PolarHBondContact O-N 3.13Å; L247-E330 HydrophobicContact CD1-CG 3.82Å; L247-E330 WeakPolarHBondContact CD1-OE2 3.45Å; L247-M647 HydrophobicContact CD2-CE 3.41Å; L247-M647 VanDerWaalsContact CD2-CE 3.41Å; L247-M647 HydrophobicContact CD2-SD 4.19Å |
| 248 | M | 93 | Very high | 91.2 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.02 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 176.2 | -168.3 | 60.2 | -134.1 | 0 | 0 | 112.2 | N244 I245 R251 E252 M255 V270 I271 V284 F287 | N244-M248 WeakPolarHBondContact O-CB 3.45Å; N244-M248 PolarHBondContact O-N 3.06Å; I245-M248 PolarHBondContact O-N 3.15Å; M248-R251 PolarHBondContact O-N 2.71Å; M248-E252 PolarHBondContact O-N 3.31Å; M248-M255 HydrophobicContact CE-CE 3.11Å; M248-M255 HydrophobicContact CE-SD 3.88Å; M248-M255 HydrophobicContact SD-CE 4.11Å; M248-V270 HydrophobicContact CE-CB 3.94Å; M248-V270 HydrophobicContact CE-CG1 3.87Å; M248-V270 HydrophobicContact CE-CG2 3.72Å; M248-I271 HydrophobicContact CB-CD1 3.84Å; M248-I271 HydrophobicContact CG-CD1 3.86Å; M248-I271 HydrophobicContact CG-CG1 4.32Å; M248-V284 HydrophobicContact CG-CG2 4.12Å; M248-V284 HydrophobicContact SD-CG1 4.45Å; M248-V284 HydrophobicContact SD-CG2 4.46Å; M248-F287 HydrophobicContact CE-CD1 4.35Å; M248-F287 HydrophobicContact CE-CE1 4.26Å |
| 249 | R | 89.7 | Confident | 90.8 | Very high | 106 Ų | 106 | 35.7 Ų | 35.7 | 40% | 0.4 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 171.7 | -74.5 | 175 | 176.2 | 176.7 | -2.7 | 112.5 | I245 N246 L247 R251 E252 | I245-R249 WeakPolarHBondContact O-CG 3.49Å; I245-R249 PolarHBondContact O-N 3.19Å; N246-R249 PolarHBondContact O-N 3.45Å; L247-R249 VanDerWaalsContact C-N 3.33Å; L247-R249 PolarHBondContact O-N 3.17Å; R249-R251 VanDerWaalsContact C-N 3.25Å; R249-R251 PolarHBondContact O-N 2.95Å; R249-E252 WeakPolarHBondContact O-CB 3.37Å; R249-E252 PolarHBondContact O-N 3.43Å |
| 250 | A | 89.8 | Confident | 90.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.4 | -33.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | N246 L247 E252 G253 I641 R646 M647 | N246-A250 WeakPolarHBondContact O-CB 3.44Å; N246-A250 PolarHBondContact O-N 2.93Å; L247-A250 PolarHBondContact O-N 2.88Å; L247-A250 VanDerWaalsContact O-N 3.15Å; A250-E252 VanDerWaalsContact C-N 3.29Å; A250-E252 PolarHBondContact O-N 3.29Å; A250-G253 PolarHBondContact O-N 2.85Å; A250-I641 HydrophobicContact CB-CG1 4.44Å; A250-R646 HydrophobicContact CB-CB 4.45Å; A250-M647 HydrophobicContact CB-CE 4.21Å; A250-M647 HydrophobicContact CB-CG 3.73Å; A250-M647 HydrophobicContact CB-SD 4.44Å |
| 251 | R | 92.2 | Very high | 90.2 | Very high | 5 Ų | 5 | 38 Ų | 38 | 2% | 0.019 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.3 | -20.3 | 177.5 | -70.4 | 176.1 | 179.6 | 107.7 | 11.8 | 114.1 | L247 M248 R249 G253 L254 M255 E330 E536 M647 | L247-R251 WeakPolarHBondContact O-CG 3.16Å; L247-R251 PolarHBondContact O-N 3.13Å; M248-R251 PolarHBondContact O-N 2.71Å; R249-R251 VanDerWaalsContact C-N 3.25Å; R249-R251 PolarHBondContact O-N 2.95Å; R251-G253 PolarHBondContact O-N 3.32Å; R251-L254 PolarHBondContact O-N 2.83Å; R251-M255 HydrophobicContact CB-CE 3.26Å; R251-M255 HydrophobicContact CG-CE 4.28Å; R251-M255 WeakPolarHBondContact O-CG 3.34Å; R251-M255 PolarHBondContact O-N 2.93Å; R251-E330 IonicContact CZ-OE2 2.74Å; R251-E330 VanDerWaalsContact NH1-CD 3.35Å; R251-E330 IonicContact NH1-OE1 3.43Å; R251-E330 PolarHBondContact NH1-OE1 2.96Å; R251-E330 IonicContact NH1-OE2 3.93Å; R251-E330 PolarHBondContact NH1-OE2 2.88Å; R251-E330 IonicContact NH2-OE2 3.18Å; R251-E330 PolarHBondContact NH2-OE2 3.15Å; R251-E536 IonicContact CZ-OE2 2.67Å; R251-E536 VanDerWaalsContact CZ-OE2 3.31Å; R251-E536 IonicContact NE-OE2 2.74Å; R251-E536 PolarHBondContact NE-OE2 3.42Å; R251-E536 IonicContact NH2-OE1 3.31Å; R251-E536 PolarHBondContact NH2-OE1 3.37Å; R251-E536 IonicContact NH2-OE2 2.78Å; R251-E536 PolarHBondContact NH2-OE2 2.83Å; R251-M647 HydrophobicContact CG-CG 3.86Å; R251-M647 HydrophobicContact CG-SD 4.05Å |
| 252 | E | 90.6 | Very high | 89.8 | Confident | 22 Ų | 22 | 40.5 Ų | 40.5 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -25.5 | 176.2 | -63.6 | -176.8 | 166.9 | 0 | 0 | 112.5 | M248 R249 A250 L254 F268 P269 V270 K644 | M248-E252 PolarHBondContact O-N 3.31Å; R249-E252 WeakPolarHBondContact O-CB 3.37Å; R249-E252 PolarHBondContact O-N 3.43Å; A250-E252 VanDerWaalsContact C-N 3.29Å; A250-E252 PolarHBondContact O-N 3.29Å; E252-L254 VanDerWaalsContact C-N 3.32Å; E252-L254 PolarHBondContact O-N 2.89Å; E252-F268 HydrophobicContact CB-CD1 4.24Å; E252-F268 HydrophobicContact CB-CE1 4Å; E252-F268 HydrophobicContact CB-CE2 4.37Å; E252-F268 HydrophobicContact CB-CZ 4.05Å; E252-F268 HydrophobicContact CG-CD1 3.85Å; E252-F268 HydrophobicContact CG-CE1 3.87Å; E252-F268 HydrophobicContact CG-CG 4.43Å; E252-F268 HydrophobicContact CG-CZ 4.44Å; E252-P269 WeakPolarHBondContact OE1-CA 3.43Å; E252-V270 HydrophobicContact CG-CG2 4.31Å; E252-V270 PolarHBondContact OE1-N 3.07Å; E252-K644 IonicContact OE2-NZ 3.4Å |
| 253 | G | 85.9 | Confident | 89.7 | Confident | 38 Ų | 38 | 40.3 Ų | 40.3 | 39% | 0.392 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -8.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | A250 R251 | A250-G253 PolarHBondContact O-N 2.85Å; R251-G253 PolarHBondContact O-N 3.32Å |
| 254 | L | 89.6 | Confident | 89.7 | Confident | 39 Ų | 39 | 40.8 Ų | 40.8 | 20% | 0.204 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -17.6 | -178.4 | -69 | 175.7 | 0 | 0 | 0 | 113.5 | R251 E252 E536 M647 K648 | R251-L254 PolarHBondContact O-N 2.83Å; E252-L254 VanDerWaalsContact C-N 3.32Å; E252-L254 PolarHBondContact O-N 2.89Å; L254-E536 HydrophobicContact CD1-CB 4.25Å; L254-E536 WeakPolarHBondContact CD1-O 3.48Å; L254-M647 HydrophobicContact CD1-CB 3.37Å; L254-M647 HydrophobicContact CD1-CG 4.38Å; L254-M647 HydrophobicContact CG-CB 4.43Å; L254-K648 HydrophobicContact CD2-CD 4.49Å; L254-K648 HydrophobicContact CD2-CG 4Å |
| 255 | M | 92 | Very high | 89.5 | Confident | 16 Ų | 16 | 48.2 Ų | 48.2 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | trans | -74.1 | 143.3 | -174.9 | -68.3 | 179.5 | -166.5 | 0 | 0 | 111.8 | M248 R251 F264 F268 F287 I539 L540 | M248-M255 HydrophobicContact CE-CE 3.11Å; M248-M255 HydrophobicContact CE-SD 3.88Å; M248-M255 HydrophobicContact SD-CE 4.11Å; R251-M255 HydrophobicContact CB-CE 3.26Å; R251-M255 HydrophobicContact CG-CE 4.28Å; R251-M255 WeakPolarHBondContact O-CG 3.34Å; R251-M255 PolarHBondContact O-N 2.93Å; M255-F264 VanDerWaalsContact C-CE1 3.48Å; M255-F264 HydrophobicContact CB-CE1 3.66Å; M255-F264 HydrophobicContact CB-CZ 3.65Å; M255-F264 VanDerWaalsContact O-CE1 3.28Å; M255-F264 WeakPolarHBondContact O-CE1 3.47Å; M255-F268 HydrophobicContact CB-CZ 4.47Å; M255-F287 HydrophobicContact CE-CE1 4.41Å; M255-F287 HydrophobicContact SD-CE1 3.44Å; M255-F287 WeakPolarHBondContact SD-CE1 3.35Å; M255-F287 HydrophobicContact SD-CZ 3.76Å; M255-I539 HydrophobicContact CE-CB 4.39Å; M255-I539 HydrophobicContact CE-CG2 3.23Å; M255-I539 HydrophobicContact CG-CG2 3.85Å; M255-I539 HydrophobicContact SD-CG2 3.81Å; M255-L540 HydrophobicContact CB-CD1 4.43Å | ||
| 256 | S | 91.1 | Very high | 89.4 | Confident | 67 Ų | 67 | 51.2 Ų | 51.2 | 47% | 0.469 | 29% | 0.285 | S | S | . | . | trans | -148.2 | 151.2 | 169.3 | 59.2 | 0 | 0 | 0 | 0 | 109.6 | N538 | S256-N538 PolarHBondContact N-ND2 3.17Å; S256-N538 PolarHBondContact O-ND2 2.8Å; S256-N538 PolarHBondContact OG-ND2 3.27Å; S256-N538 VanDerWaalsContact OG-ND2 3.1Å | ||
| 257 | S | 90.3 | Very high | 89.6 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 11% | 0.105 | 28% | 0.283 | C | S | . | . | trans | -136.4 | 123.8 | 173.9 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | H259 F260 G261 F264 A291 | S257-H259 PolarHBondContact O-N 2.91Å; S257-F260 PolarHBondContact O-N 3Å; S257-G261 PolarHBondContact O-N 3.24Å; S257-F264 VanDerWaalsContact CB-CD2 3.48Å; S257-A291 PolarHBondContact OG-O 3.34Å | ||
| 258 | E | 86.5 | Confident | 89.5 | Confident | 149 Ų | 149 | 51.5 Ų | 51.5 | 70% | 0.696 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -27.5 | 176.5 | -69.7 | 172.1 | -158.9 | 0 | 0 | 111.3 | K541 | E258-K541 IonicContact OE1-NZ 3.75Å; E258-K541 PolarHBondContact OE1-NZ 3.21Å; E258-K541 IonicContact OE2-NZ 2.77Å |
| 259 | H | 86.4 | Confident | 89.5 | Confident | 99 Ų | 99 | 53.3 Ų | 53.3 | 46% | 0.458 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -31.8 | -177.3 | -56.5 | -75.6 | 0 | 0 | 0 | 113.6 | S257 E293 | S257-H259 PolarHBondContact O-N 2.91Å; H259-E293 IonicContact CD2-OE1 3.2Å; H259-E293 IonicContact CD2-OE2 3.85Å; H259-E293 IonicContact CE1-OE1 2.98Å; H259-E293 IonicContact CE1-OE2 3.69Å; H259-E293 PolarHBondContact CE1-OE2 2.86Å; H259-E293 IonicContact CG-OE1 3.18Å; H259-E293 IonicContact ND1-OE1 3.38Å; H259-E293 PolarHBondContact ND1-OE1 3.47Å; H259-E293 IonicContact ND1-OE2 3.52Å; H259-E293 IonicContact NE2-OE1 3.79Å; H259-E293 IonicContact NE2-OE2 3.95Å; H259-E293 PolarHBondContact NE2-OE2 2.74Å |
| 260 | F | 87.9 | Confident | 89.6 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -19.3 | 178.6 | -72.1 | -90.6 | 0 | 0 | 0 | 112.7 | R151 F154 L155 S257 A262 D263 F264 L267 A291 | R151-F260 HydrophobicContact CB-CE1 4.17Å; R151-F260 HydrophobicContact CB-CE2 4.49Å; R151-F260 HydrophobicContact CB-CZ 3.81Å; R151-F260 HydrophobicContact CG-CE2 4.12Å; R151-F260 HydrophobicContact CG-CZ 3.87Å; F154-F260 HydrophobicContact CD1-CZ 4.19Å; L155-F260 HydrophobicContact CB-CE1 4.2Å; S257-F260 PolarHBondContact O-N 3Å; F260-A262 PolarHBondContact O-N 2.87Å; F260-D263 WeakPolarHBondContact O-CB 3.26Å; F260-D263 PolarHBondContact O-N 2.79Å; F260-F264 HydrophobicContact CB-CB 3.9Å; F260-F264 HydrophobicContact CB-CD2 4.04Å; F260-F264 HydrophobicContact CB-CG 4.49Å; F260-F264 HydrophobicContact CD2-CD2 4.45Å; F260-F264 HydrophobicContact CG-CD2 4.41Å; F260-L267 HydrophobicContact CD1-CD1 3.99Å; F260-L267 HydrophobicContact CD2-CD1 4.23Å; F260-L267 HydrophobicContact CE1-CD1 4.1Å; F260-L267 HydrophobicContact CE1-CD2 4.27Å; F260-L267 HydrophobicContact CE2-CD1 4.36Å; F260-L267 HydrophobicContact CG-CD1 4.06Å; F260-L267 HydrophobicContact CZ-CD1 4.27Å; F260-A291 HydrophobicContact CE2-CB 4.32Å |
| 261 | G | 86 | Confident | 89.7 | Confident | 48 Ų | 48 | 48.8 Ų | 48.8 | 50% | 0.495 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | 52 | -125.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S257 D263 F264 | S257-G261 PolarHBondContact O-N 3.24Å; G261-D263 PolarHBondContact O-N 2.91Å; G261-F264 WeakPolarHBondContact O-CB 3.42Å; G261-F264 PolarHBondContact O-N 3.32Å |
| 262 | A | 85.4 | Confident | 89.6 | Confident | 97 Ų | 97 | 49.6 Ų | 49.6 | 80% | 0.802 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -67 | -21.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F260 F264 | F260-A262 PolarHBondContact O-N 2.87Å; A262-F264 VanDerWaalsContact C-N 3.25Å; A262-F264 PolarHBondContact O-N 2.74Å |
| 263 | D | 88.2 | Confident | 89.3 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 33% | 0.332 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -82 | -3.8 | 178.8 | -68.7 | -34.5 | 0 | 0 | 0 | 112.7 | L155 F260 G261 E265 K266 | L155-D263 HydrophobicContact CD1-CB 4.42Å; L155-D263 HydrophobicContact CD2-CB 3.93Å; F260-D263 WeakPolarHBondContact O-CB 3.26Å; F260-D263 PolarHBondContact O-N 2.79Å; G261-D263 PolarHBondContact O-N 2.91Å; D263-E265 VanDerWaalsContact C-N 3.34Å; D263-E265 PolarHBondContact O-N 2.76Å; D263-K266 HydrophobicContact CB-CD 4.19Å; D263-K266 WeakPolarHBondContact O-CB 3.37Å; D263-K266 PolarHBondContact O-N 2.75Å; D263-K266 VanDerWaalsContact O-N 3.07Å; D263-K266 WeakPolarHBondContact OD1-CD 3.34Å; D263-K266 WeakPolarHBondContact OD1-CE 3.25Å; D263-K266 IonicContact OD1-NZ 2.65Å; D263-K266 PolarHBondContact OD1-NZ 2.86Å |
| 264 | F | 90.8 | Very high | 89.1 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 5% | 0.048 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -60.9 | -41.2 | -176.3 | -175 | -107.1 | 0 | 0 | 0 | 113 | M255 S257 F260 G261 A262 K266 L267 F268 F287 A291 L540 | M255-F264 VanDerWaalsContact C-CE1 3.48Å; M255-F264 HydrophobicContact CB-CE1 3.66Å; M255-F264 HydrophobicContact CB-CZ 3.65Å; M255-F264 VanDerWaalsContact O-CE1 3.28Å; M255-F264 WeakPolarHBondContact O-CE1 3.47Å; S257-F264 VanDerWaalsContact CB-CD2 3.48Å; F260-F264 HydrophobicContact CB-CB 3.9Å; F260-F264 HydrophobicContact CB-CD2 4.04Å; F260-F264 HydrophobicContact CB-CG 4.49Å; F260-F264 HydrophobicContact CD2-CD2 4.45Å; F260-F264 HydrophobicContact CG-CD2 4.41Å; G261-F264 WeakPolarHBondContact O-CB 3.42Å; G261-F264 PolarHBondContact O-N 3.32Å; A262-F264 VanDerWaalsContact C-N 3.25Å; A262-F264 PolarHBondContact O-N 2.74Å; F264-K266 PolarHBondContact O-N 3.41Å; F264-K266 VanDerWaalsContact O-N 3.16Å; F264-L267 HydrophobicContact CD2-CD1 3.78Å; F264-L267 HydrophobicContact CE2-CD1 3.94Å; F264-L267 WeakPolarHBondContact O-CB 3.39Å; F264-L267 WeakPolarHBondContact O-CG 3.31Å; F264-L267 PolarHBondContact O-N 3.08Å; F264-F268 HydrophobicContact CD1-CZ 4.21Å; F264-F268 HydrophobicContact CE1-CE1 4.28Å; F264-F268 HydrophobicContact CE1-CE2 4.27Å; F264-F268 AromaticContact CE1-CZ 3.56Å; F264-F268 HydrophobicContact CE1-CZ 3.56Å; F264-F268 HydrophobicContact CZ-CE1 4.41Å; F264-F268 HydrophobicContact CZ-CZ 4.13Å; F264-F287 HydrophobicContact CE2-CZ 4.22Å; F264-F287 HydrophobicContact CZ-CZ 4.01Å; F264-A291 HydrophobicContact CE2-CB 4.39Å; F264-L540 HydrophobicContact CE2-CD1 3.48Å; F264-L540 VanDerWaalsContact CE2-CD1 3.48Å; F264-L540 HydrophobicContact CZ-CD1 3.47Å; F264-L540 VanDerWaalsContact CZ-CD1 3.47Å |
| 265 | E | 90.3 | Very high | 89 | Confident | 156 Ų | 156 | 60.1 Ų | 60.1 | 73% | 0.729 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -62.8 | -23.6 | 178.4 | -66.6 | -170.7 | 170.6 | 0 | 0 | 112.9 | D263 L267 F268 | D263-E265 VanDerWaalsContact C-N 3.34Å; D263-E265 PolarHBondContact O-N 2.76Å; E265-L267 PolarHBondContact O-N 3.23Å; E265-F268 PolarHBondContact O-N 3.4Å |
| 266 | K | 91.5 | Very high | 88.9 | Confident | 95 Ų | 95 | 60 Ų | 60 | 41% | 0.413 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -69.2 | -12.4 | 176 | -61.1 | -179.9 | -178.8 | 170.8 | 0 | 112.4 | L155 Q159 D263 F264 F268 | L155-K266 HydrophobicContact CD1-CB 3.91Å; Q159-K266 HydrophobicContact CG-CB 4.2Å; Q159-K266 PolarHBondContact NE2-O 2.82Å; D263-K266 HydrophobicContact CB-CD 4.19Å; D263-K266 WeakPolarHBondContact O-CB 3.37Å; D263-K266 PolarHBondContact O-N 2.75Å; D263-K266 VanDerWaalsContact O-N 3.07Å; D263-K266 WeakPolarHBondContact OD1-CD 3.34Å; D263-K266 WeakPolarHBondContact OD1-CE 3.25Å; D263-K266 IonicContact OD1-NZ 2.65Å; D263-K266 PolarHBondContact OD1-NZ 2.86Å; F264-K266 PolarHBondContact O-N 3.41Å; F264-K266 VanDerWaalsContact O-N 3.16Å; K266-F268 PolarHBondContact O-N 3.01Å |
| 267 | L | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -78.5 | -10.3 | 175.2 | -59.9 | 176.6 | 0 | 0 | 0 | 112.9 | F154 L155 K158 F260 F264 E265 F287 A291 | F154-L267 HydrophobicContact CD1-CD2 3.9Å; F154-L267 HydrophobicContact CE1-CD1 4.17Å; F154-L267 HydrophobicContact CE1-CD2 3.79Å; L155-L267 HydrophobicContact CB-CD2 4.3Å; L155-L267 HydrophobicContact CD1-CD2 3.66Å; L155-L267 HydrophobicContact CD1-CG 4.33Å; K158-L267 HydrophobicContact CB-CD2 4.19Å; K158-L267 WeakPolarHBondContact CE-O 3.47Å; K158-L267 HydrophobicContact CG-CD2 4.18Å; F260-L267 HydrophobicContact CD1-CD1 3.99Å; F260-L267 HydrophobicContact CD2-CD1 4.23Å; F260-L267 HydrophobicContact CE1-CD1 4.1Å; F260-L267 HydrophobicContact CE1-CD2 4.27Å; F260-L267 HydrophobicContact CE2-CD1 4.36Å; F260-L267 HydrophobicContact CG-CD1 4.06Å; F260-L267 HydrophobicContact CZ-CD1 4.27Å; F264-L267 HydrophobicContact CD2-CD1 3.78Å; F264-L267 HydrophobicContact CE2-CD1 3.94Å; F264-L267 WeakPolarHBondContact O-CB 3.39Å; F264-L267 WeakPolarHBondContact O-CG 3.31Å; F264-L267 PolarHBondContact O-N 3.08Å; E265-L267 PolarHBondContact O-N 3.23Å; L267-F287 HydrophobicContact CB-CE2 4.11Å; L267-F287 HydrophobicContact CD1-CE2 4.2Å; L267-A291 HydrophobicContact CD1-CB 4.36Å |
| 268 | F | 90.7 | Very high | 89.1 | Confident | 36 Ų | 36 | 57.1 Ų | 57.1 | 16% | 0.158 | 31% | 0.308 | C | S | . | . | trans | -88.6 | 147 | -178.5 | -57 | -39.9 | 0 | 0 | 0 | 113.1 | E252 M255 F264 E265 K266 V270 F287 | E252-F268 HydrophobicContact CB-CD1 4.24Å; E252-F268 HydrophobicContact CB-CE1 4Å; E252-F268 HydrophobicContact CB-CE2 4.37Å; E252-F268 HydrophobicContact CB-CZ 4.05Å; E252-F268 HydrophobicContact CG-CD1 3.85Å; E252-F268 HydrophobicContact CG-CE1 3.87Å; E252-F268 HydrophobicContact CG-CG 4.43Å; E252-F268 HydrophobicContact CG-CZ 4.44Å; M255-F268 HydrophobicContact CB-CZ 4.47Å; F264-F268 HydrophobicContact CD1-CZ 4.21Å; F264-F268 HydrophobicContact CE1-CE1 4.28Å; F264-F268 HydrophobicContact CE1-CE2 4.27Å; F264-F268 AromaticContact CE1-CZ 3.56Å; F264-F268 HydrophobicContact CE1-CZ 3.56Å; F264-F268 HydrophobicContact CZ-CE1 4.41Å; F264-F268 HydrophobicContact CZ-CZ 4.13Å; E265-F268 PolarHBondContact O-N 3.4Å; K266-F268 PolarHBondContact O-N 3.01Å; F268-V270 HydrophobicContact CD1-CG2 3.77Å; F268-V270 HydrophobicContact CE1-CG2 3.92Å; F268-F287 HydrophobicContact CE1-CZ 4.38Å | ||
| 269 | P | 91.8 | Very high | 89.5 | Confident | 41 Ų | 41 | 50 Ų | 50 | 27% | 0.266 | 28% | 0.275 | S | S | . | . | S | Bend | cis | -72.9 | 145.2 | -1.3 | 31.2 | -35.3 | 0 | 0 | 0 | 111.9 | K158 E252 I271 | K158-P269 WeakPolarHBondContact CE-O 3.45Å; K158-P269 PolarHBondContact NZ-O 3.44Å; E252-P269 WeakPolarHBondContact OE1-CA 3.43Å; P269-I271 VanDerWaalsContact C-N 3.32Å; P269-I271 PolarHBondContact O-N 3.28Å |
| 270 | V | 92.5 | Very high | 90 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -61.5 | -46.7 | 179.4 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | K158 M248 E252 F268 F287 | K158-V270 PolarHBondContact NZ-O 3.22Å; M248-V270 HydrophobicContact CE-CB 3.94Å; M248-V270 HydrophobicContact CE-CG1 3.87Å; M248-V270 HydrophobicContact CE-CG2 3.72Å; E252-V270 HydrophobicContact CG-CG2 4.31Å; E252-V270 PolarHBondContact OE1-N 3.07Å; F268-V270 HydrophobicContact CD1-CG2 3.77Å; F268-V270 HydrophobicContact CE1-CG2 3.92Å; V270-F287 HydrophobicContact CB-CD2 4.43Å; V270-F287 HydrophobicContact CB-CG 4.49Å; V270-F287 HydrophobicContact CG1-CB 3.68Å; V270-F287 HydrophobicContact CG1-CD1 3.92Å; V270-F287 HydrophobicContact CG1-CD2 3.85Å; V270-F287 HydrophobicContact CG1-CE2 4.48Å; V270-F287 HydrophobicContact CG1-CG 3.54Å; V270-F287 HydrophobicContact CG2-CD1 4.24Å; V270-F287 HydrophobicContact CG2-CD2 3.91Å; V270-F287 HydrophobicContact CG2-CE1 4.01Å; V270-F287 HydrophobicContact CG2-CE2 3.68Å; V270-F287 HydrophobicContact CG2-CG 4.18Å; V270-F287 HydrophobicContact CG2-CZ 3.73Å |
| 271 | I | 92 | Very high | 90.4 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -89.4 | 121.8 | 177.6 | -65.8 | 168.5 | 0 | 0 | 0 | 108.7 | I245 M248 P269 T280 V284 | I245-I271 HydrophobicContact CB-CD1 4.23Å; I245-I271 HydrophobicContact CG1-CD1 4Å; I245-I271 HydrophobicContact CG2-CD1 4.23Å; M248-I271 HydrophobicContact CB-CD1 3.84Å; M248-I271 HydrophobicContact CG-CD1 3.86Å; M248-I271 HydrophobicContact CG-CG1 4.32Å; P269-I271 VanDerWaalsContact C-N 3.32Å; P269-I271 PolarHBondContact O-N 3.28Å; I271-T280 HydrophobicContact CB-CG2 4.44Å; I271-T280 HydrophobicContact CD1-CG2 3.73Å; I271-T280 HydrophobicContact CG1-CG2 3.92Å; I271-T280 HydrophobicContact CG2-CG2 3.7Å; I271-V284 HydrophobicContact CD1-CG2 4.28Å; I271-V284 HydrophobicContact CG1-CG2 4.12Å |
| 272 | E | 89.6 | Confident | 90.8 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 10% | 0.103 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -73.6 | 149.1 | 173.6 | -59.9 | 169.4 | 178.4 | 0 | 0 | 110.3 | R157 K158 S161 R230 L275 | R157-E272 IonicContact NH1-OE1 3.61Å; R157-E272 PolarHBondContact NH1-OE1 3.12Å; K158-E272 IonicContact NZ-OE1 3.56Å; S161-E272 WeakPolarHBondContact CB-OE1 3.5Å; S161-E272 PolarHBondContact OG-OE1 3.1Å; R230-E272 IonicContact CZ-OE1 3.86Å; R230-E272 IonicContact CZ-OE2 2.75Å; R230-E272 IonicContact NH1-OE1 3.38Å; R230-E272 PolarHBondContact NH1-OE1 3.34Å; R230-E272 IonicContact NH1-OE2 3.63Å; R230-E272 PolarHBondContact NH1-OE2 3.19Å; R230-E272 IonicContact NH2-OE1 3.92Å; R230-E272 IonicContact NH2-OE2 3.98Å; R230-E272 PolarHBondContact NH2-OE2 3.49Å; E272-L275 HydrophobicContact CB-CD1 3.75Å; E272-L275 HydrophobicContact CB-CG 4.14Å |
| 273 | E | 83.6 | Confident | 91.3 | Very high | 148 Ų | 148 | 38.1 Ų | 38.1 | 69% | 0.692 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 153.8 | -177.2 | -62.4 | -176.5 | 174.2 | 0 | 0 | 112 | L275 | E273-L275 PolarHBondContact O-N 3.22Å; E273-L275 VanDerWaalsContact O-N 3.08Å |
| 274 | N | 81.8 | Confident | 91.7 | Very high | 140 Ų | 140 | 35.2 Ų | 35.2 | 75% | 0.749 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 11.1 | 173.2 | -56.3 | -44.4 | 0 | 0 | 0 | 117.4 | ||
| 275 | L | 87.8 | Confident | 91.9 | Very high | 31 Ų | 31 | 34.8 Ų | 34.8 | 16% | 0.162 | 17% | 0.174 | C | C | . | . | trans | -70.5 | 159.7 | 173.7 | -66.5 | -175.3 | 0 | 0 | 0 | 112.8 | Y172 E272 E273 C283 | Y172-L275 HydrophobicContact CE2-CD2 4.25Å; E272-L275 HydrophobicContact CB-CD1 3.75Å; E272-L275 HydrophobicContact CB-CG 4.14Å; E273-L275 PolarHBondContact O-N 3.22Å; E273-L275 VanDerWaalsContact O-N 3.08Å; L275-C283 WeakPolarHBondContact CD1-SG 3.49Å | ||
| 276 | S | 90.8 | Very high | 92.2 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 11% | 0.105 | 14% | 0.143 | C | C | . | . | trans | -71.7 | 170.3 | 166.7 | 85.2 | 0 | 0 | 0 | 0 | 110.7 | Y229 S278 G279 T280 | Y229-S276 PolarHBondContact OH-OG 3.12Å; S276-S278 PolarHBondContact O-N 2.85Å; S276-S278 PolarHBondContact OG-N 3.33Å; S276-G279 PolarHBondContact O-N 2.74Å; S276-G279 PolarHBondContact OG-N 2.96Å; S276-T280 WeakPolarHBondContact O-CB 3.49Å; S276-T280 PolarHBondContact O-N 3.14Å; S276-T280 PolarHBondContact O-OG1 3.24Å | ||
| 277 | D | 92.1 | Very high | 92.4 | Very high | 16 Ų | 16 | 23.7 Ų | 23.7 | 9% | 0.086 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -48 | -47.2 | 170.3 | 69.2 | -34.2 | 0 | 0 | 0 | 112.7 | H234 E237 V238 L241 T280 L281 | H234-D277 IonicContact CE1-OD2 3.73Å; H234-D277 IonicContact ND1-OD2 2.82Å; E237-D277 WeakPolarHBondContact CA-OD2 3.33Å; V238-D277 HydrophobicContact CB-CB 4.22Å; V238-D277 HydrophobicContact CG2-CB 4.41Å; V238-D277 PolarHBondContact N-OD2 3.03Å; L241-D277 HydrophobicContact CD1-CB 4.23Å; L241-D277 HydrophobicContact CD2-CB 3.82Å; D277-T280 WeakPolarHBondContact O-CB 3.24Å; D277-T280 PolarHBondContact O-N 3.29Å; D277-L281 WeakPolarHBondContact O-CB 3.44Å; D277-L281 PolarHBondContact O-N 3.1Å |
| 278 | S | 93.8 | Very high | 92.4 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 3% | 0.028 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.7 | -39 | -179 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | Q227 H234 S276 L281 D282 | Q227-S278 PolarHBondContact NE2-OG 3.38Å; H234-S278 PolarHBondContact ND1-OG 3Å; S276-S278 PolarHBondContact O-N 2.85Å; S276-S278 PolarHBondContact OG-N 3.33Å; S278-L281 PolarHBondContact O-N 3.41Å; S278-D282 PolarHBondContact O-N 3.01Å |
| 279 | G | 94.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.8 | -34.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y229 S276 D282 C283 | Y229-G279 VanDerWaalsContact CE2-N 3.25Å; S276-G279 PolarHBondContact O-N 2.74Å; S276-G279 PolarHBondContact OG-N 2.96Å; G279-D282 PolarHBondContact O-N 3.5Å; G279-C283 PolarHBondContact O-N 2.98Å; G279-C283 PolarHBondContact O-SG 3.15Å |
| 280 | T | 95.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 3% | 0.025 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.8 | -45.9 | 172.8 | -55.5 | 0 | 0 | 0 | 0 | 110.3 | L241 I245 I271 S276 D277 C283 V284 W332 | L241-T280 HydrophobicContact CD1-CG2 4Å; I245-T280 HydrophobicContact CD1-CG2 4.28Å; I245-T280 HydrophobicContact CG1-CG2 3.83Å; I271-T280 HydrophobicContact CB-CG2 4.44Å; I271-T280 HydrophobicContact CD1-CG2 3.73Å; I271-T280 HydrophobicContact CG1-CG2 3.92Å; I271-T280 HydrophobicContact CG2-CG2 3.7Å; S276-T280 WeakPolarHBondContact O-CB 3.49Å; S276-T280 PolarHBondContact O-N 3.14Å; S276-T280 PolarHBondContact O-OG1 3.24Å; D277-T280 WeakPolarHBondContact O-CB 3.24Å; D277-T280 PolarHBondContact O-N 3.29Å; T280-C283 WeakPolarHBondContact O-CB 3.41Å; T280-C283 PolarHBondContact O-N 3.5Å; T280-V284 PolarHBondContact O-N 2.99Å; T280-V284 VanDerWaalsContact O-N 3.16Å; T280-W332 HydrophobicContact CG2-CH2 3.57Å; T280-W332 HydrophobicContact CG2-CZ3 3.86Å |
| 281 | L | 96.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 176.6 | -178.9 | 60.4 | 0 | 0 | 0 | 112 | L232 V238 D277 S278 C283 V284 I285 V303 W332 L338 | L232-L281 HydrophobicContact CD2-CB 4.2Å; L232-L281 HydrophobicContact CD2-CD2 3.85Å; L232-L281 HydrophobicContact CD2-CG 3.82Å; V238-L281 HydrophobicContact CG2-CD2 4.29Å; D277-L281 WeakPolarHBondContact O-CB 3.44Å; D277-L281 PolarHBondContact O-N 3.1Å; S278-L281 PolarHBondContact O-N 3.41Å; L281-C283 VanDerWaalsContact C-N 3.33Å; L281-C283 PolarHBondContact O-N 2.92Å; L281-V284 PolarHBondContact O-N 2.91Å; L281-I285 HydrophobicContact CD1-CD1 4.1Å; L281-I285 HydrophobicContact CD1-CG1 4.3Å; L281-I285 HydrophobicContact CG-CD1 3.99Å; L281-I285 WeakPolarHBondContact O-CG1 3.31Å; L281-I285 PolarHBondContact O-N 2.82Å; L281-V303 HydrophobicContact CD1-CG1 3.45Å; L281-V303 VanDerWaalsContact CD1-CG1 3.45Å; L281-W332 HydrophobicContact CB-CE3 4.11Å; L281-W332 HydrophobicContact CB-CZ3 4.22Å; L281-W332 HydrophobicContact CD1-CB 4.15Å; L281-W332 HydrophobicContact CD1-CD2 3.81Å; L281-W332 HydrophobicContact CD1-CE3 3.67Å; L281-W332 HydrophobicContact CD1-CG 4.03Å; L281-W332 HydrophobicContact CD1-CZ3 4.42Å; L281-W332 HydrophobicContact CG-CE3 4.43Å; L281-L338 HydrophobicContact CD2-CD1 4.03Å; L281-L338 HydrophobicContact CD2-CD2 3.68Å |
| 282 | D | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58 | -43.7 | 173.5 | -176.4 | 77.6 | 0 | 0 | 0 | 111.7 | Y229 R230 V231 L232 S278 G279 V284 I285 E286 | Y229-D282 WeakPolarHBondContact CB-OD1 3.36Å; Y229-D282 WeakPolarHBondContact CB-OD2 3.36Å; Y229-D282 HydrophobicContact CD2-CB 4.42Å; Y229-D282 HydrophobicContact CG-CB 4.15Å; R230-D282 WeakPolarHBondContact CB-OD2 3.38Å; R230-D282 WeakPolarHBondContact CD-OD2 3.09Å; R230-D282 PolarHBondContact N-OD1 3.44Å; R230-D282 PolarHBondContact N-OD2 2.84Å; V231-D282 PolarHBondContact N-OD1 2.99Å; L232-D282 HydrophobicContact CB-CB 4.12Å; L232-D282 WeakPolarHBondContact CB-OD1 3.42Å; L232-D282 HydrophobicContact CD2-CB 4.39Å; L232-D282 PolarHBondContact N-OD1 3.49Å; S278-D282 PolarHBondContact O-N 3.01Å; G279-D282 PolarHBondContact O-N 3.5Å; D282-V284 VanDerWaalsContact C-N 3.33Å; D282-V284 PolarHBondContact O-N 2.97Å; D282-I285 PolarHBondContact O-N 3.13Å; D282-E286 VanDerWaalsContact O-CB 3.27Å; D282-E286 WeakPolarHBondContact O-CB 3.35Å; D282-E286 PolarHBondContact O-N 3.17Å |
| 283 | C | 95.7 | Very high | 92.2 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 3% | 0.034 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 176.5 | -68.8 | 0 | 0 | 0 | 0 | 112.4 | L275 G279 T280 L281 F287 | L275-C283 WeakPolarHBondContact CD1-SG 3.49Å; G279-C283 PolarHBondContact O-N 2.98Å; G279-C283 PolarHBondContact O-SG 3.15Å; T280-C283 WeakPolarHBondContact O-CB 3.41Å; T280-C283 PolarHBondContact O-N 3.5Å; L281-C283 VanDerWaalsContact C-N 3.33Å; L281-C283 PolarHBondContact O-N 2.92Å; C283-F287 WeakPolarHBondContact O-CB 3.44Å; C283-F287 PolarHBondContact O-N 3.13Å |
| 284 | V | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -70.3 | -44.1 | 179.9 | 176 | 0 | 0 | 0 | 0 | 111.1 | M248 I271 T280 L281 D282 F287 L288 W332 | M248-V284 HydrophobicContact CG-CG2 4.12Å; M248-V284 HydrophobicContact SD-CG1 4.45Å; M248-V284 HydrophobicContact SD-CG2 4.46Å; I271-V284 HydrophobicContact CD1-CG2 4.28Å; I271-V284 HydrophobicContact CG1-CG2 4.12Å; T280-V284 PolarHBondContact O-N 2.99Å; T280-V284 VanDerWaalsContact O-N 3.16Å; L281-V284 PolarHBondContact O-N 2.91Å; D282-V284 VanDerWaalsContact C-N 3.33Å; D282-V284 PolarHBondContact O-N 2.97Å; V284-F287 PolarHBondContact O-N 2.97Å; V284-L288 HydrophobicContact CG1-CD1 4.12Å; V284-L288 HydrophobicContact CG1-CG 4.46Å; V284-L288 WeakPolarHBondContact O-CG 3.49Å; V284-L288 PolarHBondContact O-N 3.02Å; V284-W332 HydrophobicContact CB-CZ2 4.38Å; V284-W332 HydrophobicContact CG1-CZ2 4.5Å; V284-W332 HydrophobicContact CG2-CH2 3.98Å; V284-W332 HydrophobicContact CG2-CZ2 3.7Å |
| 285 | I | 96 | Very high | 93 | Very high | 3 Ų | 3 | 15.4 Ų | 15.4 | 2% | 0.015 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.7 | -47.8 | 177.4 | -71.3 | 175.5 | 0 | 0 | 0 | 110.5 | L232 L281 D282 F287 L288 L289 L296 V299 V303 | L232-I285 HydrophobicContact CD1-CD1 4.25Å; L232-I285 HydrophobicContact CD2-CD1 4.2Å; L281-I285 HydrophobicContact CD1-CD1 4.1Å; L281-I285 HydrophobicContact CD1-CG1 4.3Å; L281-I285 HydrophobicContact CG-CD1 3.99Å; L281-I285 WeakPolarHBondContact O-CG1 3.31Å; L281-I285 PolarHBondContact O-N 2.82Å; D282-I285 PolarHBondContact O-N 3.13Å; I285-F287 VanDerWaalsContact C-N 3.31Å; I285-F287 PolarHBondContact O-N 3.31Å; I285-L288 PolarHBondContact O-N 3.07Å; I285-L289 VanDerWaalsContact O-CB 3.26Å; I285-L289 WeakPolarHBondContact O-CB 3.12Å; I285-L289 PolarHBondContact O-N 3.41Å; I285-L296 HydrophobicContact CG2-CD1 3.71Å; I285-V299 HydrophobicContact CB-CG1 4.19Å; I285-V299 HydrophobicContact CG1-CG1 4.2Å; I285-V299 HydrophobicContact CG2-CG1 3.92Å; I285-V303 HydrophobicContact CG1-CG2 4.27Å |
| 286 | E | 95.2 | Very high | 93.3 | Very high | 16 Ų | 16 | 14 Ų | 14 | 8% | 0.075 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 178.6 | -162.4 | -174.8 | 168.7 | 0 | 0 | 111.5 | F154 R157 R230 V231 D282 L289 R290 | F154-E286 HydrophobicContact CD2-CG 4.01Å; F154-E286 WeakPolarHBondContact CD2-OE1 3.42Å; F154-E286 HydrophobicContact CE2-CB 4.31Å; F154-E286 HydrophobicContact CE2-CG 3.73Å; R157-E286 IonicContact CZ-OE1 3.27Å; R157-E286 IonicContact CZ-OE2 3.02Å; R157-E286 IonicContact NE-OE1 2.67Å; R157-E286 PolarHBondContact NE-OE1 3.21Å; R157-E286 IonicContact NE-OE2 3.64Å; R157-E286 IonicContact NH1-OE2 3.98Å; R157-E286 IonicContact NH2-OE1 3.3Å; R157-E286 PolarHBondContact NH2-OE1 3.36Å; R157-E286 IonicContact NH2-OE2 2.93Å; R157-E286 PolarHBondContact NH2-OE2 3.09Å; R230-E286 VanDerWaalsContact CD-OE2 3.24Å; R230-E286 WeakPolarHBondContact CD-OE2 3.19Å; V231-E286 HydrophobicContact CG2-CB 3.59Å; V231-E286 HydrophobicContact CG2-CG 3.66Å; D282-E286 VanDerWaalsContact O-CB 3.27Å; D282-E286 WeakPolarHBondContact O-CB 3.35Å; D282-E286 PolarHBondContact O-N 3.17Å; E286-L289 PolarHBondContact O-N 3.5Å; E286-R290 HydrophobicContact CG-CG 4.33Å; E286-R290 WeakPolarHBondContact O-CB 3.36Å; E286-R290 WeakPolarHBondContact O-CG 3.4Å; E286-R290 PolarHBondContact O-N 3.45Å |
| 287 | F | 95.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 0% | 0.004 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 176.8 | -177 | -96.3 | 0 | 0 | 0 | 112 | F154 M248 M255 F264 L267 F268 V270 C283 V284 I285 L289 R290 A291 L540 | F154-F287 HydrophobicContact CE1-CD2 4.18Å; F154-F287 HydrophobicContact CZ-CB 4.24Å; F154-F287 AromaticContact CZ-CD2 3.98Å; F154-F287 HydrophobicContact CZ-CD2 3.98Å; M248-F287 HydrophobicContact CE-CD1 4.35Å; M248-F287 HydrophobicContact CE-CE1 4.26Å; M255-F287 HydrophobicContact CE-CE1 4.41Å; M255-F287 HydrophobicContact SD-CE1 3.44Å; M255-F287 WeakPolarHBondContact SD-CE1 3.35Å; M255-F287 HydrophobicContact SD-CZ 3.76Å; F264-F287 HydrophobicContact CE2-CZ 4.22Å; F264-F287 HydrophobicContact CZ-CZ 4.01Å; L267-F287 HydrophobicContact CB-CE2 4.11Å; L267-F287 HydrophobicContact CD1-CE2 4.2Å; F268-F287 HydrophobicContact CE1-CZ 4.38Å; V270-F287 HydrophobicContact CB-CD2 4.43Å; V270-F287 HydrophobicContact CB-CG 4.49Å; V270-F287 HydrophobicContact CG1-CB 3.68Å; V270-F287 HydrophobicContact CG1-CD1 3.92Å; V270-F287 HydrophobicContact CG1-CD2 3.85Å; V270-F287 HydrophobicContact CG1-CE2 4.48Å; V270-F287 HydrophobicContact CG1-CG 3.54Å; V270-F287 HydrophobicContact CG2-CD1 4.24Å; V270-F287 HydrophobicContact CG2-CD2 3.91Å; V270-F287 HydrophobicContact CG2-CE1 4.01Å; V270-F287 HydrophobicContact CG2-CE2 3.68Å; V270-F287 HydrophobicContact CG2-CG 4.18Å; V270-F287 HydrophobicContact CG2-CZ 3.73Å; C283-F287 WeakPolarHBondContact O-CB 3.44Å; C283-F287 PolarHBondContact O-N 3.13Å; V284-F287 PolarHBondContact O-N 2.97Å; I285-F287 VanDerWaalsContact C-N 3.31Å; I285-F287 PolarHBondContact O-N 3.31Å; F287-L289 VanDerWaalsContact C-N 3.33Å; F287-L289 PolarHBondContact O-N 3.45Å; F287-R290 PolarHBondContact O-N 3.18Å; F287-A291 HydrophobicContact CD2-CB 4.15Å; F287-A291 HydrophobicContact CE1-CB 4.36Å; F287-A291 HydrophobicContact CE2-CB 3.96Å; F287-A291 HydrophobicContact CG-CB 4.42Å; F287-A291 HydrophobicContact CZ-CB 4.08Å; F287-A291 WeakPolarHBondContact O-CA 3.37Å; F287-A291 WeakPolarHBondContact O-CB 3.07Å; F287-A291 PolarHBondContact O-N 2.84Å; F287-L540 HydrophobicContact CD1-CD2 4.19Å; F287-L540 HydrophobicContact CE1-CD1 4.24Å; F287-L540 HydrophobicContact CE1-CD2 3.71Å; F287-L540 HydrophobicContact CE1-CG 4.36Å; F287-L540 HydrophobicContact CZ-CD1 4.19Å; F287-L540 HydrophobicContact CZ-CD2 4.44Å |
| 288 | L | 94.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.3 | -35.2 | 177.1 | -68.2 | 176.6 | 0 | 0 | 0 | 112.5 | V284 I285 G292 V299 V303 M329 I539 L540 | V284-L288 HydrophobicContact CG1-CD1 4.12Å; V284-L288 HydrophobicContact CG1-CG 4.46Å; V284-L288 WeakPolarHBondContact O-CG 3.49Å; V284-L288 PolarHBondContact O-N 3.02Å; I285-L288 PolarHBondContact O-N 3.07Å; L288-G292 WeakPolarHBondContact O-CA 3.29Å; L288-G292 PolarHBondContact O-N 3.07Å; L288-V299 HydrophobicContact CB-CG1 3.75Å; L288-V299 HydrophobicContact CB-CG2 3.92Å; L288-V299 HydrophobicContact CD1-CG1 4.07Å; L288-V303 HydrophobicContact CD1-CG2 3.8Å; L288-M329 HydrophobicContact CD1-SD 4.02Å; L288-I539 HydrophobicContact CD2-CD1 4.05Å; L288-I539 HydrophobicContact CD2-CG1 3.96Å; L288-I539 HydrophobicContact CD2-CG2 4.41Å; L288-L540 HydrophobicContact CD2-CD2 4.15Å |
| 289 | L | 93.5 | Very high | 93.6 | Very high | 14 Ų | 14 | 12.6 Ų | 12.6 | 7% | 0.073 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.8 | -52.4 | 175.3 | 172.1 | 63.3 | 0 | 0 | 0 | 111.2 | V231 I285 E286 F287 E293 R294 L296 V299 | V231-L289 HydrophobicContact CG1-CD2 4Å; I285-L289 VanDerWaalsContact O-CB 3.26Å; I285-L289 WeakPolarHBondContact O-CB 3.12Å; I285-L289 PolarHBondContact O-N 3.41Å; E286-L289 PolarHBondContact O-N 3.5Å; F287-L289 VanDerWaalsContact C-N 3.33Å; F287-L289 PolarHBondContact O-N 3.45Å; L289-E293 WeakPolarHBondContact O-CA 3.42Å; L289-E293 PolarHBondContact O-N 2.88Å; L289-R294 WeakPolarHBondContact CD1-O 3.38Å; L289-R294 PolarHBondContact O-N 3.16Å; L289-L296 HydrophobicContact CD1-CB 4.18Å; L289-L296 HydrophobicContact CD2-CD1 4.41Å; L289-V299 HydrophobicContact CB-CG2 4.46Å |
| 290 | R | 92.5 | Very high | 93.5 | Very high | 51 Ų | 51 | 12.7 Ų | 12.7 | 19% | 0.192 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -87.9 | -44.1 | -170.7 | -58.6 | -59.7 | -177.9 | -171.4 | 2.2 | 113.4 | Q150 F154 E286 F287 | Q150-R290 VanDerWaalsContact OE1-CZ 3.29Å; Q150-R290 VanDerWaalsContact OE1-NH2 3.14Å; F154-R290 HydrophobicContact CB-CB 4.13Å; F154-R290 HydrophobicContact CB-CG 4.16Å; F154-R290 HydrophobicContact CD1-CB 3.78Å; F154-R290 HydrophobicContact CD2-CB 4.03Å; F154-R290 HydrophobicContact CD2-CG 3.88Å; F154-R290 HydrophobicContact CE1-CB 4.16Å; F154-R290 HydrophobicContact CE2-CB 4.39Å; F154-R290 HydrophobicContact CE2-CG 4.41Å; F154-R290 HydrophobicContact CG-CB 3.71Å; F154-R290 HydrophobicContact CG-CG 3.94Å; F154-R290 HydrophobicContact CZ-CB 4.46Å; E286-R290 HydrophobicContact CG-CG 4.33Å; E286-R290 WeakPolarHBondContact O-CB 3.36Å; E286-R290 WeakPolarHBondContact O-CG 3.4Å; E286-R290 PolarHBondContact O-N 3.45Å; F287-R290 PolarHBondContact O-N 3.18Å |
| 291 | A | 91.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 2% | 0.017 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -81.5 | -26.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | S257 F260 F264 L267 F287 L540 | S257-A291 PolarHBondContact OG-O 3.34Å; F260-A291 HydrophobicContact CE2-CB 4.32Å; F264-A291 HydrophobicContact CE2-CB 4.39Å; L267-A291 HydrophobicContact CD1-CB 4.36Å; F287-A291 HydrophobicContact CD2-CB 4.15Å; F287-A291 HydrophobicContact CE1-CB 4.36Å; F287-A291 HydrophobicContact CE2-CB 3.96Å; F287-A291 HydrophobicContact CG-CB 4.42Å; F287-A291 HydrophobicContact CZ-CB 4.08Å; F287-A291 WeakPolarHBondContact O-CA 3.37Å; F287-A291 WeakPolarHBondContact O-CB 3.07Å; F287-A291 PolarHBondContact O-N 2.84Å; A291-L540 HydrophobicContact CB-CD1 3.91Å; A291-L540 HydrophobicContact CB-CD2 4.09Å |
| 292 | G | 87.9 | Confident | 93.4 | Very high | 13 Ų | 13 | 12.4 Ų | 12.4 | 13% | 0.134 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -3.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | L288 R294 | L288-G292 WeakPolarHBondContact O-CA 3.29Å; L288-G292 PolarHBondContact O-N 3.07Å; G292-R294 PolarHBondContact O-N 3.12Å |
| 293 | E | 86.1 | Confident | 93.3 | Very high | 90 Ų | 90 | 12.4 Ų | 12.4 | 42% | 0.421 | 7% | 0.066 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 40.7 | -176.5 | -58.4 | -163 | 163.6 | 0 | 0 | 113.9 | R151 H259 L289 | R151-E293 IonicContact CZ-OE1 2.72Å; R151-E293 IonicContact NE-OE1 2.87Å; R151-E293 IonicContact NH1-OE1 3.19Å; R151-E293 PolarHBondContact NH1-OE1 3.49Å; H259-E293 IonicContact CD2-OE1 3.2Å; H259-E293 IonicContact CD2-OE2 3.85Å; H259-E293 IonicContact CE1-OE1 2.98Å; H259-E293 IonicContact CE1-OE2 3.69Å; H259-E293 PolarHBondContact CE1-OE2 2.86Å; H259-E293 IonicContact CG-OE1 3.18Å; H259-E293 IonicContact ND1-OE1 3.38Å; H259-E293 PolarHBondContact ND1-OE1 3.47Å; H259-E293 IonicContact ND1-OE2 3.52Å; H259-E293 IonicContact NE2-OE1 3.79Å; H259-E293 IonicContact NE2-OE2 3.95Å; H259-E293 PolarHBondContact NE2-OE2 2.74Å; L289-E293 WeakPolarHBondContact O-CA 3.42Å; L289-E293 PolarHBondContact O-N 2.88Å |
| 294 | R | 89.9 | Confident | 93.2 | Very high | 8 Ų | 8 | 12.6 Ų | 12.6 | 3% | 0.03 | 7% | 0.067 | C | C | . | . | trans | -97.6 | 148.3 | 178 | -66.9 | -178.6 | -169.9 | 173.7 | 3.4 | 110.7 | L289 G292 V299 I539 L540 | L289-R294 WeakPolarHBondContact CD1-O 3.38Å; L289-R294 PolarHBondContact O-N 3.16Å; G292-R294 PolarHBondContact O-N 3.12Å; R294-V299 HydrophobicContact CB-CG2 3.67Å; R294-I539 PolarHBondContact NH2-O 2.84Å; R294-L540 PolarHBondContact NH2-O 3.13Å | ||
| 295 | S | 92.2 | Very high | 93.1 | Very high | 48 Ų | 48 | 13 Ų | 13 | 34% | 0.336 | 7% | 0.069 | S | C | . | . | trans | -61.2 | 143.1 | 169.6 | 73.5 | 0 | 0 | 0 | 0 | 110.7 | P297 E298 V299 | S295-P297 VanDerWaalsContact C-CD 3.43Å; S295-P297 VanDerWaalsContact C-N 3.3Å; S295-E298 WeakPolarHBondContact O-CB 3.42Å; S295-E298 PolarHBondContact O-N 3.38Å; S295-E298 WeakPolarHBondContact OG-CB 3.36Å; S295-E298 PolarHBondContact OG-N 3Å; S295-V299 PolarHBondContact O-N 3.4Å | ||
| 296 | L | 93 | Very high | 92.9 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -53.9 | -39.2 | 177.4 | -178.9 | 58.4 | 0 | 0 | 0 | 113.3 | V231 I285 L289 E298 V299 A300 F340 D342 | V231-L296 HydrophobicContact CG1-CD1 4.14Å; V231-L296 HydrophobicContact CG1-CD2 4.09Å; I285-L296 HydrophobicContact CG2-CD1 3.71Å; L289-L296 HydrophobicContact CD1-CB 4.18Å; L289-L296 HydrophobicContact CD2-CD1 4.41Å; L296-E298 PolarHBondContact O-N 3.16Å; L296-V299 PolarHBondContact O-N 3.27Å; L296-A300 WeakPolarHBondContact O-CB 3.38Å; L296-A300 PolarHBondContact O-N 2.97Å; L296-F340 HydrophobicContact CD1-CB 4.34Å; L296-F340 HydrophobicContact CD1-CD2 4.39Å; L296-F340 HydrophobicContact CD2-CB 4.05Å; L296-F340 HydrophobicContact CD2-CD2 3.55Å; L296-F340 HydrophobicContact CD2-CE2 4.46Å; L296-F340 HydrophobicContact CD2-CG 4.2Å; L296-F340 HydrophobicContact CG-CB 4.34Å; L296-F340 HydrophobicContact CG-CD2 3.6Å; L296-F340 HydrophobicContact CG-CE2 4.24Å; L296-F340 HydrophobicContact CG-CG 4.19Å; L296-D342 HydrophobicContact CD2-CB 3.98Å |
| 297 | P | 93.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.013 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 172.5 | -25.4 | 36 | 0 | 0 | 0 | 114.3 | S295 A300 M301 M381 L383 L397 I401 | S295-P297 VanDerWaalsContact C-CD 3.43Å; S295-P297 VanDerWaalsContact C-N 3.3Å; P297-A300 PolarHBondContact O-N 2.91Å; P297-M301 VanDerWaalsContact O-CG 3.26Å; P297-M301 WeakPolarHBondContact O-CG 3.49Å; P297-M301 PolarHBondContact O-N 3.18Å; P297-M381 HydrophobicContact CB-CE 4.32Å; P297-M381 HydrophobicContact CB-SD 3.89Å; P297-L383 HydrophobicContact CB-CD2 4.3Å; P297-L383 HydrophobicContact CG-CD1 3.86Å; P297-L383 HydrophobicContact CG-CD2 3.52Å; P297-L383 HydrophobicContact CG-CG 4.36Å; P297-L397 HydrophobicContact CB-CD1 4.39Å; P297-L397 HydrophobicContact CB-CD2 4.09Å; P297-I401 HydrophobicContact CB-CD1 3.91Å |
| 298 | E | 94.6 | Very high | 92.7 | Very high | 5 Ų | 5 | 14.8 Ų | 14.8 | 2% | 0.023 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.4 | -42.9 | 176.6 | 179.6 | -176.6 | 173.1 | 0 | 0 | 111 | S295 L296 M301 T302 F321 I401 R405 | S295-E298 WeakPolarHBondContact O-CB 3.42Å; S295-E298 PolarHBondContact O-N 3.38Å; S295-E298 WeakPolarHBondContact OG-CB 3.36Å; S295-E298 PolarHBondContact OG-N 3Å; L296-E298 PolarHBondContact O-N 3.16Å; E298-M301 PolarHBondContact O-N 2.99Å; E298-T302 WeakPolarHBondContact O-CB 3.34Å; E298-T302 PolarHBondContact O-N 2.92Å; E298-T302 PolarHBondContact O-OG1 3.29Å; E298-F321 HydrophobicContact CG-CE2 4.33Å; E298-F321 HydrophobicContact CG-CZ 4.36Å; E298-I401 HydrophobicContact CB-CD1 4.38Å; E298-I401 HydrophobicContact CB-CG2 3.99Å; E298-I401 HydrophobicContact CG-CG2 3.88Å; E298-R405 IonicContact OE1-CZ 2.86Å; E298-R405 IonicContact OE1-NH1 2.99Å; E298-R405 PolarHBondContact OE1-NH1 2.91Å; E298-R405 IonicContact OE1-NH2 3.21Å; E298-R405 PolarHBondContact OE1-NH2 2.95Å; E298-R405 IonicContact OE2-NH2 3.73Å; E298-R405 PolarHBondContact OE2-NH2 3.06Å |
| 299 | V | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.9 | -48 | 175.7 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | I285 L288 L289 R294 S295 L296 M301 T302 V303 | I285-V299 HydrophobicContact CB-CG1 4.19Å; I285-V299 HydrophobicContact CG1-CG1 4.2Å; I285-V299 HydrophobicContact CG2-CG1 3.92Å; L288-V299 HydrophobicContact CB-CG1 3.75Å; L288-V299 HydrophobicContact CB-CG2 3.92Å; L288-V299 HydrophobicContact CD1-CG1 4.07Å; L289-V299 HydrophobicContact CB-CG2 4.46Å; R294-V299 HydrophobicContact CB-CG2 3.67Å; S295-V299 PolarHBondContact O-N 3.4Å; L296-V299 PolarHBondContact O-N 3.27Å; V299-M301 VanDerWaalsContact C-N 3.33Å; V299-M301 PolarHBondContact O-N 3.31Å; V299-T302 WeakPolarHBondContact O-CB 3.2Å; V299-T302 PolarHBondContact O-N 3.41Å; V299-V303 HydrophobicContact CG1-CG2 4.12Å; V299-V303 WeakPolarHBondContact O-CG2 3.41Å; V299-V303 PolarHBondContact O-N 3.3Å |
| 300 | A | 93.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 2% | 0.017 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.3 | -43 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L296 P297 T302 V304 F340 I349 M381 | L296-A300 WeakPolarHBondContact O-CB 3.38Å; L296-A300 PolarHBondContact O-N 2.97Å; P297-A300 PolarHBondContact O-N 2.91Å; A300-T302 VanDerWaalsContact C-N 3.29Å; A300-T302 PolarHBondContact O-N 3.38Å; A300-V304 PolarHBondContact O-N 2.96Å; A300-F340 HydrophobicContact CB-CD1 4.22Å; A300-F340 HydrophobicContact CB-CE1 3.81Å; A300-F340 HydrophobicContact CB-CZ 4.13Å; A300-I349 HydrophobicContact CB-CG2 4.31Å; A300-M381 HydrophobicContact CB-CE 3.9Å |
| 301 | M | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.5 | -30.1 | 175.2 | -71 | 170.7 | 60.3 | 0 | 0 | 113.6 | P297 E298 V299 P305 F321 M381 K398 I401 | P297-M301 VanDerWaalsContact O-CG 3.26Å; P297-M301 WeakPolarHBondContact O-CG 3.49Å; P297-M301 PolarHBondContact O-N 3.18Å; E298-M301 PolarHBondContact O-N 2.99Å; V299-M301 VanDerWaalsContact C-N 3.33Å; V299-M301 PolarHBondContact O-N 3.31Å; M301-P305 WeakPolarHBondContact O-CA 3.06Å; M301-F321 HydrophobicContact CB-CE1 3.83Å; M301-F321 HydrophobicContact CB-CZ 4.12Å; M301-F321 HydrophobicContact CE-CD1 3.83Å; M301-F321 HydrophobicContact CE-CE1 3.67Å; M301-F321 HydrophobicContact CE-CG 4.46Å; M301-F321 HydrophobicContact CE-CZ 4.14Å; M301-M381 HydrophobicContact CG-CE 3.75Å; M301-K398 HydrophobicContact CE-CB 3.94Å; M301-K398 HydrophobicContact CE-CD 4.43Å; M301-K398 HydrophobicContact CE-CG 3.68Å; M301-K398 HydrophobicContact SD-CB 4.41Å; M301-K398 HydrophobicContact SD-CG 3.72Å; M301-I401 HydrophobicContact CE-CG2 4.3Å; M301-I401 HydrophobicContact SD-CB 4.38Å; M301-I401 HydrophobicContact SD-CD1 3.62Å; M301-I401 HydrophobicContact SD-CG2 4.26Å |
| 302 | T | 94.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -76.9 | -44.9 | -179.3 | -54 | 0 | 0 | 0 | 0 | 110.7 | E298 V299 A300 S325 M329 | E298-T302 WeakPolarHBondContact O-CB 3.34Å; E298-T302 PolarHBondContact O-N 2.92Å; E298-T302 PolarHBondContact O-OG1 3.29Å; V299-T302 WeakPolarHBondContact O-CB 3.2Å; V299-T302 PolarHBondContact O-N 3.41Å; A300-T302 VanDerWaalsContact C-N 3.29Å; A300-T302 PolarHBondContact O-N 3.38Å; T302-S325 WeakPolarHBondContact CA-OG 3.2Å; T302-S325 WeakPolarHBondContact CG2-OG 3.27Å; T302-S325 PolarHBondContact O-OG 2.96Å; T302-M329 HydrophobicContact CG2-CG 3.95Å; T302-M329 HydrophobicContact CG2-SD 3.72Å |
| 303 | V | 95 | Very high | 92 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -77.1 | -38.8 | -176 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | L281 I285 L288 V299 P305 M329 W332 | L281-V303 HydrophobicContact CD1-CG1 3.45Å; L281-V303 VanDerWaalsContact CD1-CG1 3.45Å; I285-V303 HydrophobicContact CG1-CG2 4.27Å; L288-V303 HydrophobicContact CD1-CG2 3.8Å; V299-V303 HydrophobicContact CG1-CG2 4.12Å; V299-V303 WeakPolarHBondContact O-CG2 3.41Å; V299-V303 PolarHBondContact O-N 3.3Å; V303-P305 VanDerWaalsContact C-CD 3.47Å; V303-P305 WeakPolarHBondContact O-CD 3.37Å; V303-M329 HydrophobicContact CB-CE 4.43Å; V303-M329 HydrophobicContact CG1-CE 4.41Å; V303-M329 HydrophobicContact CG2-CE 3.97Å; V303-M329 HydrophobicContact CG2-SD 4.02Å; V303-W332 HydrophobicContact CG1-CB 3.91Å; V303-W332 HydrophobicContact CG1-CG 3.79Å; V303-W332 PolarHBondContact O-N 2.76Å |
| 304 | V | 93.8 | Very high | 92.3 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -122.7 | 76 | 178 | -172.5 | 0 | 0 | 0 | 0 | 110.2 | A300 L338 | A300-V304 PolarHBondContact O-N 2.96Å; V304-L338 HydrophobicContact CB-CD1 4.4Å; V304-L338 HydrophobicContact CG2-CD1 3.48Å; V304-L338 VanDerWaalsContact CG2-CD1 3.48Å |
| 305 | P | 94.1 | Very high | 92.4 | Very high | 8 Ų | 8 | 33.1 Ų | 33.1 | 5% | 0.052 | 17% | 0.173 | C | C | . | . | trans | -76.1 | 147.1 | -177.2 | 30.1 | -35.1 | 0 | 0 | 0 | 112.9 | M301 V303 Y322 P331 | M301-P305 WeakPolarHBondContact O-CA 3.06Å; V303-P305 VanDerWaalsContact C-CD 3.47Å; V303-P305 WeakPolarHBondContact O-CD 3.37Å; P305-Y322 HydrophobicContact CB-CD1 3.61Å; P305-Y322 HydrophobicContact CB-CE1 3.9Å; P305-P331 HydrophobicContact CG-CB 3.98Å; P305-P331 HydrophobicContact CG-CG 3.85Å | ||
| 306 | E | 92.4 | Very high | 92.5 | Very high | 17 Ų | 17 | 35.9 Ų | 35.9 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | trans | -55.9 | 154.7 | 168.8 | -76.2 | 174.1 | -116.4 | 0 | 0 | 111.8 | W308 M314 R318 Y322 G379 K398 | E306-W308 VanDerWaalsContact O-CD1 3.32Å; E306-W308 PolarHBondContact O-N 3.45Å; E306-M314 HydrophobicContact CB-CE 4.27Å; E306-R318 IonicContact OE1-NH1 2.68Å; E306-R318 PolarHBondContact OE1-NH1 3.03Å; E306-R318 IonicContact OE2-CZ 2.66Å; E306-R318 IonicContact OE2-NH1 3.18Å; E306-R318 PolarHBondContact OE2-NH1 3.31Å; E306-Y322 HydrophobicContact CB-CE1 4.46Å; E306-Y322 HydrophobicContact CB-CE2 3.8Å; E306-Y322 VanDerWaalsContact CD-OH 3.3Å; E306-Y322 HydrophobicContact CG-CE2 4.22Å; E306-Y322 WeakPolarHBondContact CG-OH 3.33Å; E306-Y322 PolarHBondContact OE1-OH 2.86Å; E306-G379 WeakPolarHBondContact CG-O 3.45Å; E306-K398 VanDerWaalsContact OE1-CD 3.23Å; E306-K398 WeakPolarHBondContact OE1-CD 3.5Å; E306-K398 WeakPolarHBondContact OE1-CE 3.49Å; E306-K398 IonicContact OE1-NZ 3.55Å; E306-K398 PolarHBondContact OE1-NZ 3.43Å | ||
| 307 | A | 92.5 | Very high | 92.6 | Very high | 24 Ų | 24 | 37.4 Ų | 37.4 | 20% | 0.198 | 19% | 0.192 | C | C | . | . | trans | -68 | 101.9 | 165 | 0 | 0 | 0 | 0 | 0 | 109.9 | R352 V526 | A307-R352 HydrophobicContact CB-CB 4.41Å; A307-V526 HydrophobicContact CB-CB 4.24Å; A307-V526 HydrophobicContact CB-CG1 3.92Å | ||
| 308 | W | 92.6 | Very high | 92.6 | Very high | 18 Ų | 18 | 38.4 Ų | 38.4 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | trans | -110.3 | -26.3 | -167.5 | 64.6 | -90 | 0 | 0 | 0 | 114.8 | E306 M314 K319 Y322 N323 A326 | E306-W308 VanDerWaalsContact O-CD1 3.32Å; E306-W308 PolarHBondContact O-N 3.45Å; W308-M314 HydrophobicContact CB-CE 3.82Å; W308-M314 HydrophobicContact CB-SD 3.62Å; W308-K319 HydrophobicContact CE3-CG 3.76Å; W308-K319 HydrophobicContact CZ3-CG 4.26Å; W308-K319 WeakPolarHBondContact O-CE 3.32Å; W308-K319 PolarHBondContact O-NZ 2.76Å; W308-Y322 HydrophobicContact CB-CD2 3.77Å; W308-Y322 HydrophobicContact CB-CG 4.07Å; W308-Y322 VanDerWaalsContact CD1-CB 3.41Å; W308-Y322 HydrophobicContact CG-CD2 4.31Å; W308-Y322 HydrophobicContact CG-CG 4.11Å; W308-N323 HydrophobicContact CE3-CB 4.48Å; W308-N323 HydrophobicContact CH2-CB 3.46Å; W308-N323 VanDerWaalsContact CH2-CB 3.46Å; W308-N323 HydrophobicContact CZ2-CB 4.1Å; W308-N323 HydrophobicContact CZ3-CB 3.69Å; W308-A326 HydrophobicContact CZ2-CB 4.13Å | ||
| 309 | E | 90 | Very high | 92.6 | Very high | 48 Ų | 48 | 41 Ų | 41 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -66.3 | -49.1 | -167.2 | -65.3 | 177.6 | -156.1 | 0 | 0 | 112.3 | K319 S528 | E309-K319 PolarHBondContact O-NZ 3.02Å; E309-S528 VanDerWaalsContact CD-OG 3.23Å; E309-S528 PolarHBondContact OE1-OG 2.98Å; E309-S528 WeakPolarHBondContact OE2-CB 3.45Å; E309-S528 PolarHBondContact OE2-OG 3.09Å |
| 310 | K | 89.1 | Confident | 92.6 | Very high | 71 Ų | 71 | 41.3 Ų | 41.3 | 31% | 0.309 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -93.1 | -3.4 | -178 | -67.7 | 170.5 | 178.2 | 162 | 0 | 113.5 | K312 Q524 V525 M527 Y711 | K310-K312 PolarHBondContact O-N 3.43Å; K310-Q524 VanDerWaalsContact CD-O 3.28Å; K310-Q524 WeakPolarHBondContact CD-O 3.48Å; K310-Q524 PolarHBondContact NZ-O 2.92Å; K310-V525 HydrophobicContact CB-CG2 4.07Å; K310-M527 PolarHBondContact NZ-O 3.3Å; K310-Y711 PolarHBondContact NZ-OH 3.09Å |
| 311 | D | 89.2 | Confident | 92.8 | Very high | 38 Ų | 38 | 41.2 Ų | 41.2 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | trans | -74.9 | 111.4 | 173.4 | -171.9 | -0.9 | 0 | 0 | 0 | 109.9 | T313 M314 K319 | D311-T313 WeakPolarHBondContact OD1-CA 3.19Å; D311-T313 WeakPolarHBondContact OD1-CB 3.21Å; D311-T313 PolarHBondContact OD1-N 3.46Å; D311-T313 PolarHBondContact OD1-OG1 3.38Å; D311-M314 HydrophobicContact CB-CB 4.14Å; D311-M314 HydrophobicContact CB-CE 4.47Å; D311-M314 PolarHBondContact OD1-N 2.89Å; D311-K319 PolarHBondContact O-NZ 3.27Å | ||
| 312 | K | 88.2 | Confident | 92.8 | Very high | 204 Ų | 204 | 41.2 Ų | 41.2 | 89% | 0.887 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -83.7 | -15.1 | 176.5 | -62 | -176.5 | -178.2 | -179.9 | 0 | 112.7 | K310 | K310-K312 PolarHBondContact O-N 3.43Š|
| 313 | T | 89.6 | Confident | 92.9 | Very high | 126 Ų | 126 | 43 Ų | 43 | 77% | 0.773 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -93.4 | -8.5 | -177.8 | 70.1 | 0 | 0 | 0 | 0 | 112.9 | D311 | D311-T313 WeakPolarHBondContact OD1-CA 3.19Å; D311-T313 WeakPolarHBondContact OD1-CB 3.21Å; D311-T313 PolarHBondContact OD1-N 3.46Å; D311-T313 PolarHBondContact OD1-OG1 3.38Å |
| 314 | M | 91 | Very high | 92.9 | Very high | 11 Ų | 11 | 43 Ų | 43 | 5% | 0.054 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -70.2 | 131.6 | 179.7 | -179.3 | 166.6 | -61.8 | 0 | 0 | 112.3 | E306 W308 D311 R318 K319 Y322 | E306-M314 HydrophobicContact CB-CE 4.27Å; W308-M314 HydrophobicContact CB-CE 3.82Å; W308-M314 HydrophobicContact CB-SD 3.62Å; D311-M314 HydrophobicContact CB-CB 4.14Å; D311-M314 HydrophobicContact CB-CE 4.47Å; D311-M314 PolarHBondContact OD1-N 2.89Å; M314-R318 HydrophobicContact CG-CB 4.29Å; M314-R318 HydrophobicContact CG-CG 4.31Å; M314-R318 HydrophobicContact SD-CG 4.17Å; M314-K319 HydrophobicContact CG-CB 4.13Å; M314-K319 HydrophobicContact SD-CB 4.16Å; M314-K319 HydrophobicContact SD-CG 4.49Å; M314-Y322 HydrophobicContact CE-CD2 4.16Å; M314-Y322 HydrophobicContact CE-CE2 4.04Å; M314-Y322 HydrophobicContact SD-CD2 3.75Å; M314-Y322 HydrophobicContact SD-CE2 4.08Å |
| 315 | D | 92.8 | Very high | 92.9 | Very high | 65 Ų | 65 | 42.7 Ų | 42.7 | 35% | 0.348 | 22% | 0.216 | S | C | . | . | trans | -51.1 | 142.5 | 170 | 174.4 | 78.1 | 0 | 0 | 0 | 112.5 | D317 R318 K319 L399 | D315-D317 PolarHBondContact O-N 3.49Å; D315-D317 WeakPolarHBondContact OD2-CA 3.37Å; D315-D317 WeakPolarHBondContact OD2-CB 3.34Å; D315-D317 PolarHBondContact OD2-N 2.9Å; D315-R318 HydrophobicContact CB-CB 4.28Å; D315-R318 PolarHBondContact O-N 3.48Å; D315-R318 PolarHBondContact OD2-N 3.44Å; D315-R318 VanDerWaalsContact OD2-N 3.15Å; D315-K319 WeakPolarHBondContact O-CB 3.46Å; D315-K319 PolarHBondContact O-N 3.11Å; D315-L399 VanDerWaalsContact OD2-CD1 3.29Å; D315-L399 WeakPolarHBondContact OD2-CD1 3.26Å | ||
| 316 | L | 93.9 | Very high | 92.9 | Very high | 106 Ų | 106 | 43 Ų | 43 | 56% | 0.555 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -68 | -34.9 | -173.3 | -67 | 176.4 | 0 | 0 | 0 | 113.7 | A320 | L316-A320 WeakPolarHBondContact O-CB 3.38Å; L316-A320 PolarHBondContact O-N 2.86Å |
| 317 | D | 94.8 | Very high | 93 | Very high | 31 Ų | 31 | 42.3 Ų | 42.3 | 17% | 0.166 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.4 | -41.1 | 178.3 | -61.3 | -29.4 | 0 | 0 | 0 | 109.2 | D315 A320 F321 L399 R403 R408 | D315-D317 PolarHBondContact O-N 3.49Å; D315-D317 WeakPolarHBondContact OD2-CA 3.37Å; D315-D317 WeakPolarHBondContact OD2-CB 3.34Å; D315-D317 PolarHBondContact OD2-N 2.9Å; D317-A320 WeakPolarHBondContact O-CB 3.37Å; D317-A320 PolarHBondContact O-N 3.25Å; D317-F321 PolarHBondContact O-N 3.26Å; D317-L399 HydrophobicContact CB-CD1 4.42Å; D317-R403 HydrophobicContact CB-CG 4.36Å; D317-R403 IonicContact OD2-CZ 2.96Å; D317-R403 IonicContact OD2-NE 2.65Å; D317-R403 PolarHBondContact OD2-NE 2.72Å; D317-R403 IonicContact OD2-NH2 3.28Å; D317-R403 PolarHBondContact OD2-NH2 2.88Å; D317-R408 WeakPolarHBondContact OD1-CD 3.36Å; D317-R408 IonicContact OD1-NH1 3.81Å; D317-R408 PolarHBondContact OD1-NH1 3.12Å |
| 318 | R | 94 | Very high | 93 | Very high | 24 Ų | 24 | 41.4 Ų | 41.4 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.9 | -41.1 | 174 | -173.1 | 170.7 | 60.6 | 138.9 | 8 | 112.9 | E306 M314 D315 A320 F321 Y322 S402 | E306-R318 IonicContact OE1-NH1 2.68Å; E306-R318 PolarHBondContact OE1-NH1 3.03Å; E306-R318 IonicContact OE2-CZ 2.66Å; E306-R318 IonicContact OE2-NH1 3.18Å; E306-R318 PolarHBondContact OE2-NH1 3.31Å; M314-R318 HydrophobicContact CG-CB 4.29Å; M314-R318 HydrophobicContact CG-CG 4.31Å; M314-R318 HydrophobicContact SD-CG 4.17Å; D315-R318 HydrophobicContact CB-CB 4.28Å; D315-R318 PolarHBondContact O-N 3.48Å; D315-R318 PolarHBondContact OD2-N 3.44Å; D315-R318 VanDerWaalsContact OD2-N 3.15Å; R318-A320 VanDerWaalsContact C-N 3.26Å; R318-A320 PolarHBondContact O-N 3.26Å; R318-F321 WeakPolarHBondContact O-CB 3.48Å; R318-F321 PolarHBondContact O-N 3.17Å; R318-F321 VanDerWaalsContact O-N 3.15Å; R318-Y322 HydrophobicContact CG-CD2 4.05Å; R318-Y322 HydrophobicContact CG-CE2 3.61Å; R318-Y322 WeakPolarHBondContact O-CD2 3.49Å; R318-Y322 PolarHBondContact O-N 3Å; R318-Y322 VanDerWaalsContact O-N 3.1Å; R318-S402 WeakPolarHBondContact CA-OG 3.47Å |
| 319 | K | 95.1 | Very high | 93.1 | Very high | 58 Ų | 58 | 40.7 Ų | 40.7 | 25% | 0.252 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.9 | -38.1 | 174.2 | -163.8 | 168.8 | -173.5 | 153.5 | 0 | 111.2 | W308 E309 D311 M314 D315 N323 | W308-K319 HydrophobicContact CE3-CG 3.76Å; W308-K319 HydrophobicContact CZ3-CG 4.26Å; W308-K319 WeakPolarHBondContact O-CE 3.32Å; W308-K319 PolarHBondContact O-NZ 2.76Å; E309-K319 PolarHBondContact O-NZ 3.02Å; D311-K319 PolarHBondContact O-NZ 3.27Å; M314-K319 HydrophobicContact CG-CB 4.13Å; M314-K319 HydrophobicContact SD-CB 4.16Å; M314-K319 HydrophobicContact SD-CG 4.49Å; D315-K319 WeakPolarHBondContact O-CB 3.46Å; D315-K319 PolarHBondContact O-N 3.11Å; K319-N323 WeakPolarHBondContact O-CB 3.33Å; K319-N323 PolarHBondContact O-N 2.99Å |
| 320 | A | 95.6 | Very high | 93.4 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.1 | -36.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L316 D317 R318 N323 W324 L407 R408 L411 | L316-A320 WeakPolarHBondContact O-CB 3.38Å; L316-A320 PolarHBondContact O-N 2.86Å; D317-A320 WeakPolarHBondContact O-CB 3.37Å; D317-A320 PolarHBondContact O-N 3.25Å; R318-A320 VanDerWaalsContact C-N 3.26Å; R318-A320 PolarHBondContact O-N 3.26Å; A320-N323 PolarHBondContact O-N 3.37Å; A320-W324 WeakPolarHBondContact O-CB 3.24Å; A320-W324 PolarHBondContact O-N 2.79Å; A320-L407 HydrophobicContact CB-CB 4.25Å; A320-R408 HydrophobicContact CB-CB 4.5Å; A320-R408 HydrophobicContact CB-CG 3.43Å; A320-R408 VanDerWaalsContact CB-CG 3.43Å; A320-L411 HydrophobicContact CB-CD1 3.87Å; A320-L411 WeakPolarHBondContact O-CD1 3.46Å |
| 321 | F | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59 | -52 | 172.7 | 176.6 | -87.9 | 0 | 0 | 0 | 112 | E298 M301 D317 R318 N323 W324 S325 I401 S402 L407 | E298-F321 HydrophobicContact CG-CE2 4.33Å; E298-F321 HydrophobicContact CG-CZ 4.36Å; M301-F321 HydrophobicContact CB-CE1 3.83Å; M301-F321 HydrophobicContact CB-CZ 4.12Å; M301-F321 HydrophobicContact CE-CD1 3.83Å; M301-F321 HydrophobicContact CE-CE1 3.67Å; M301-F321 HydrophobicContact CE-CG 4.46Å; M301-F321 HydrophobicContact CE-CZ 4.14Å; D317-F321 PolarHBondContact O-N 3.26Å; R318-F321 WeakPolarHBondContact O-CB 3.48Å; R318-F321 PolarHBondContact O-N 3.17Å; R318-F321 VanDerWaalsContact O-N 3.15Å; F321-N323 VanDerWaalsContact C-N 3.33Å; F321-N323 PolarHBondContact O-N 2.96Å; F321-W324 HydrophobicContact CD2-CE3 4.22Å; F321-W324 HydrophobicContact CD2-CZ3 4.36Å; F321-W324 HydrophobicContact CE2-CE3 4.14Å; F321-W324 AromaticContact CE2-CZ3 3.84Å; F321-W324 HydrophobicContact CE2-CZ3 3.84Å; F321-W324 HydrophobicContact CZ-CZ3 4.36Å; F321-W324 PolarHBondContact O-N 3.41Å; F321-S325 WeakPolarHBondContact O-CB 3.32Å; F321-S325 PolarHBondContact O-N 2.59Å; F321-I401 HydrophobicContact CD2-CG2 4.22Å; F321-I401 HydrophobicContact CE2-CG2 3.72Å; F321-I401 HydrophobicContact CZ-CG2 4.21Å; F321-S402 WeakPolarHBondContact CB-OG 3.38Å; F321-L407 HydrophobicContact CB-CD1 3.92Å; F321-L407 HydrophobicContact CD2-CD1 3.85Å; F321-L407 HydrophobicContact CG-CD1 4.34Å |
| 322 | Y | 95.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.7 | -32 | -178.6 | -66.4 | -57.3 | 0 | 0 | 0 | 113.2 | P305 E306 W308 M314 R318 S325 A326 | P305-Y322 HydrophobicContact CB-CD1 3.61Å; P305-Y322 HydrophobicContact CB-CE1 3.9Å; E306-Y322 HydrophobicContact CB-CE1 4.46Å; E306-Y322 HydrophobicContact CB-CE2 3.8Å; E306-Y322 VanDerWaalsContact CD-OH 3.3Å; E306-Y322 HydrophobicContact CG-CE2 4.22Å; E306-Y322 WeakPolarHBondContact CG-OH 3.33Å; E306-Y322 PolarHBondContact OE1-OH 2.86Å; W308-Y322 HydrophobicContact CB-CD2 3.77Å; W308-Y322 HydrophobicContact CB-CG 4.07Å; W308-Y322 VanDerWaalsContact CD1-CB 3.41Å; W308-Y322 HydrophobicContact CG-CD2 4.31Å; W308-Y322 HydrophobicContact CG-CG 4.11Å; M314-Y322 HydrophobicContact CE-CD2 4.16Å; M314-Y322 HydrophobicContact CE-CE2 4.04Å; M314-Y322 HydrophobicContact SD-CD2 3.75Å; M314-Y322 HydrophobicContact SD-CE2 4.08Å; R318-Y322 HydrophobicContact CG-CD2 4.05Å; R318-Y322 HydrophobicContact CG-CE2 3.61Å; R318-Y322 WeakPolarHBondContact O-CD2 3.49Å; R318-Y322 PolarHBondContact O-N 3Å; R318-Y322 VanDerWaalsContact O-N 3.1Å; Y322-S325 PolarHBondContact O-N 2.78Å; Y322-A326 WeakPolarHBondContact O-CB 3.36Å; Y322-A326 PolarHBondContact O-N 3.27Å |
| 323 | N | 94.9 | Very high | 94.1 | Very high | 38 Ų | 38 | 24.6 Ų | 24.6 | 20% | 0.203 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.9 | -46.3 | 171.6 | -167.8 | -12.7 | 0 | 0 | 0 | 111.3 | W308 K319 A320 F321 A326 M327 L411 | W308-N323 HydrophobicContact CE3-CB 4.48Å; W308-N323 HydrophobicContact CH2-CB 3.46Å; W308-N323 VanDerWaalsContact CH2-CB 3.46Å; W308-N323 HydrophobicContact CZ2-CB 4.1Å; W308-N323 HydrophobicContact CZ3-CB 3.69Å; K319-N323 WeakPolarHBondContact O-CB 3.33Å; K319-N323 PolarHBondContact O-N 2.99Å; A320-N323 PolarHBondContact O-N 3.37Å; F321-N323 VanDerWaalsContact C-N 3.33Å; F321-N323 PolarHBondContact O-N 2.96Å; N323-A326 PolarHBondContact O-N 2.94Å; N323-M327 WeakPolarHBondContact O-CG 3.17Å; N323-M327 PolarHBondContact O-N 3.1Å; N323-M327 WeakPolarHBondContact OD1-CE 3.35Å; N323-L411 HydrophobicContact CB-CD1 3.87Å; N323-L411 HydrophobicContact CB-CD2 4.36Å |
| 324 | W | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.3 | -45 | 173 | 167.8 | 74 | 0 | 0 | 0 | 112 | A320 F321 A326 M327 V328 L407 P542 | A320-W324 WeakPolarHBondContact O-CB 3.24Å; A320-W324 PolarHBondContact O-N 2.79Å; F321-W324 HydrophobicContact CD2-CE3 4.22Å; F321-W324 HydrophobicContact CD2-CZ3 4.36Å; F321-W324 HydrophobicContact CE2-CE3 4.14Å; F321-W324 AromaticContact CE2-CZ3 3.84Å; F321-W324 HydrophobicContact CE2-CZ3 3.84Å; F321-W324 HydrophobicContact CZ-CZ3 4.36Å; F321-W324 PolarHBondContact O-N 3.41Å; W324-A326 VanDerWaalsContact C-N 3.25Å; W324-A326 PolarHBondContact O-N 3.21Å; W324-M327 WeakPolarHBondContact O-CA 3.31Å; W324-M327 VanDerWaalsContact O-CB 3.28Å; W324-M327 WeakPolarHBondContact O-CB 3.17Å; W324-M327 PolarHBondContact O-N 3.13Å; W324-V328 HydrophobicContact CD2-CG2 4.23Å; W324-V328 HydrophobicContact CZ2-CG2 3.82Å; W324-V328 WeakPolarHBondContact O-CG2 3.36Å; W324-V328 PolarHBondContact O-N 3.39Å; W324-L407 HydrophobicContact CB-CD1 4.44Å; W324-L407 HydrophobicContact CB-CD2 4.14Å; W324-L407 HydrophobicContact CD2-CD2 3.9Å; W324-L407 HydrophobicContact CE3-CD1 4.32Å; W324-L407 HydrophobicContact CE3-CD2 4.36Å; W324-L407 HydrophobicContact CG-CD2 3.77Å; W324-P542 HydrophobicContact CH2-CB 4.16Å; W324-P542 HydrophobicContact CH2-CG 4.23Å; W324-P542 HydrophobicContact CZ2-CB 3.68Å; W324-P542 HydrophobicContact CZ2-CG 4.17Å |
| 325 | S | 94.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -56.5 | -40.9 | 176.4 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | T302 F321 Y322 M327 V328 M329 | T302-S325 WeakPolarHBondContact CA-OG 3.2Å; T302-S325 WeakPolarHBondContact CG2-OG 3.27Å; T302-S325 PolarHBondContact O-OG 2.96Å; F321-S325 WeakPolarHBondContact O-CB 3.32Å; F321-S325 PolarHBondContact O-N 2.59Å; Y322-S325 PolarHBondContact O-N 2.78Å; S325-M327 PolarHBondContact O-N 2.87Å; S325-V328 WeakPolarHBondContact O-CB 3.43Å; S325-V328 PolarHBondContact O-N 2.9Å; S325-M329 PolarHBondContact O-N 2.92Å |
| 326 | A | 94.4 | Very high | 94.1 | Very high | 14 Ų | 14 | 15.4 Ų | 15.4 | 12% | 0.116 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.9 | -24.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | W308 Y322 N323 W324 V328 P532 H727 | W308-A326 HydrophobicContact CZ2-CB 4.13Å; Y322-A326 WeakPolarHBondContact O-CB 3.36Å; Y322-A326 PolarHBondContact O-N 3.27Å; N323-A326 PolarHBondContact O-N 2.94Å; W324-A326 VanDerWaalsContact C-N 3.25Å; W324-A326 PolarHBondContact O-N 3.21Å; A326-V328 VanDerWaalsContact C-N 3.29Å; A326-P532 WeakPolarHBondContact O-CG 3.35Å; A326-H727 PolarHBondContact O-CE1 2.74Å |
| 327 | M | 94.3 | Very high | 94 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.01 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -74.1 | -23.9 | 171.5 | -57.8 | -70.1 | 172.4 | 0 | 0 | 112.6 | N323 W324 S325 L411 V415 P532 R549 F551 | N323-M327 WeakPolarHBondContact O-CG 3.17Å; N323-M327 PolarHBondContact O-N 3.1Å; N323-M327 WeakPolarHBondContact OD1-CE 3.35Å; W324-M327 WeakPolarHBondContact O-CA 3.31Å; W324-M327 VanDerWaalsContact O-CB 3.28Å; W324-M327 WeakPolarHBondContact O-CB 3.17Å; W324-M327 PolarHBondContact O-N 3.13Å; S325-M327 PolarHBondContact O-N 2.87Å; M327-L411 HydrophobicContact CE-CD2 4.44Å; M327-L411 HydrophobicContact CG-CD2 4.48Å; M327-V415 HydrophobicContact CE-CG1 4.16Å; M327-V415 HydrophobicContact CE-CG2 3.73Å; M327-P532 HydrophobicContact SD-CB 3.59Å; M327-P532 VanDerWaalsContact SD-CB 3.59Å; M327-P532 HydrophobicContact SD-CG 4.06Å; M327-R549 WeakPolarHBondContact O-CD 3.32Å; M327-R549 PolarHBondContact O-NH1 3.15Å; M327-R549 HydrophobicContact SD-CB 4.08Å; M327-F551 HydrophobicContact CE-CB 4.27Å; M327-F551 HydrophobicContact CE-CD2 3.3Å; M327-F551 HydrophobicContact CE-CE2 3.88Å; M327-F551 HydrophobicContact CE-CG 4.07Å; M327-F551 HydrophobicContact SD-CD2 4.18Å |
| 328 | V | 93 | Very high | 93.9 | Very high | 6 Ų | 6 | 9.4 Ų | 9.4 | 4% | 0.036 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -92.6 | -45.1 | -172.4 | 173.6 | 0 | 0 | 0 | 0 | 112.1 | W324 S325 A326 I539 Q546 | W324-V328 HydrophobicContact CD2-CG2 4.23Å; W324-V328 HydrophobicContact CZ2-CG2 3.82Å; W324-V328 WeakPolarHBondContact O-CG2 3.36Å; W324-V328 PolarHBondContact O-N 3.39Å; S325-V328 WeakPolarHBondContact O-CB 3.43Å; S325-V328 PolarHBondContact O-N 2.9Å; A326-V328 VanDerWaalsContact C-N 3.29Å; V328-I539 HydrophobicContact CG1-CB 4.4Å; V328-I539 HydrophobicContact CG1-CD1 4.03Å; V328-I539 HydrophobicContact CG1-CG1 3.56Å; V328-Q546 HydrophobicContact CG2-CB 4.18Å; V328-Q546 HydrophobicContact CG2-CG 4.34Å |
| 329 | M | 94 | Very high | 93.9 | Very high | 3 Ų | 3 | 9.1 Ų | 9.1 | 2% | 0.015 | 5% | 0.051 | C | C | . | . | trans | -154.2 | 156.8 | 176.9 | 68.5 | -178.1 | -68.7 | 0 | 0 | 112.8 | L288 T302 V303 S325 I539 | L288-M329 HydrophobicContact CD1-SD 4.02Å; T302-M329 HydrophobicContact CG2-CG 3.95Å; T302-M329 HydrophobicContact CG2-SD 3.72Å; V303-M329 HydrophobicContact CB-CE 4.43Å; V303-M329 HydrophobicContact CG1-CE 4.41Å; V303-M329 HydrophobicContact CG2-CE 3.97Å; V303-M329 HydrophobicContact CG2-SD 4.02Å; S325-M329 PolarHBondContact O-N 2.92Å; M329-I539 HydrophobicContact CB-CD1 3.95Å; M329-I539 HydrophobicContact CG-CD1 4.49Å; M329-I539 HydrophobicContact SD-CD1 4.17Å | ||
| 330 | E | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.039 | C | C | . | . | trans | -69.2 | 145.8 | 169.1 | 70.8 | -69.7 | 165.5 | 0 | 0 | 112.1 | N244 L247 R251 | N244-E330 WeakPolarHBondContact OD1-CG 3.28Å; L247-E330 HydrophobicContact CD1-CG 3.82Å; L247-E330 WeakPolarHBondContact CD1-OE2 3.45Å; R251-E330 IonicContact CZ-OE2 2.74Å; R251-E330 VanDerWaalsContact NH1-CD 3.35Å; R251-E330 IonicContact NH1-OE1 3.43Å; R251-E330 PolarHBondContact NH1-OE1 2.96Å; R251-E330 IonicContact NH1-OE2 3.93Å; R251-E330 PolarHBondContact NH1-OE2 2.88Å; R251-E330 IonicContact NH2-OE2 3.18Å; R251-E330 PolarHBondContact NH2-OE2 3.15Å | ||
| 331 | P | 94.9 | Very high | 93.8 | Very high | 9 Ų | 9 | 6.1 Ų | 6.1 | 6% | 0.058 | 4% | 0.037 | C | C | . | . | trans | -60.8 | 141.1 | 170.5 | -22.3 | 32.2 | 0 | 0 | 0 | 111.6 | P305 D333 T725 S728 | P305-P331 HydrophobicContact CG-CB 3.98Å; P305-P331 HydrophobicContact CG-CG 3.85Å; P331-D333 PolarHBondContact O-N 3.48Å; P331-T725 HydrophobicContact CG-CG2 4.26Å; P331-S728 WeakPolarHBondContact CD-OG 3.43Å; P331-S728 WeakPolarHBondContact O-CB 3.45Å; P331-S728 PolarHBondContact O-OG 3.06Å | ||
| 332 | W | 95.3 | Very high | 93.5 | Very high | 8 Ų | 8 | 7.3 Ų | 7.3 | 3% | 0.03 | 4% | 0.043 | C | C | . | . | trans | -85.9 | 89.6 | 165 | -74.8 | 53 | 0 | 0 | 0 | 108.3 | V238 L241 N244 T280 L281 V284 V303 | V238-W332 HydrophobicContact CG1-CB 4.41Å; V238-W332 HydrophobicContact CG1-CE3 3.89Å; V238-W332 HydrophobicContact CG2-CE3 4.41Å; L241-W332 HydrophobicContact CD1-CH2 4.46Å; L241-W332 HydrophobicContact CD1-CZ3 3.86Å; N244-W332 HydrophobicContact CB-CD2 3.87Å; N244-W332 VanDerWaalsContact CB-CE2 3.42Å; N244-W332 HydrophobicContact CB-CE3 4.23Å; N244-W332 HydrophobicContact CB-CG 4.48Å; N244-W332 HydrophobicContact CB-CH2 3.77Å; N244-W332 HydrophobicContact CB-CZ2 3.38Å; N244-W332 HydrophobicContact CB-CZ3 4.19Å; T280-W332 HydrophobicContact CG2-CH2 3.57Å; T280-W332 HydrophobicContact CG2-CZ3 3.86Å; L281-W332 HydrophobicContact CB-CE3 4.11Å; L281-W332 HydrophobicContact CB-CZ3 4.22Å; L281-W332 HydrophobicContact CD1-CB 4.15Å; L281-W332 HydrophobicContact CD1-CD2 3.81Å; L281-W332 HydrophobicContact CD1-CE3 3.67Å; L281-W332 HydrophobicContact CD1-CG 4.03Å; L281-W332 HydrophobicContact CD1-CZ3 4.42Å; L281-W332 HydrophobicContact CG-CE3 4.43Å; V284-W332 HydrophobicContact CB-CZ2 4.38Å; V284-W332 HydrophobicContact CG1-CZ2 4.5Å; V284-W332 HydrophobicContact CG2-CH2 3.98Å; V284-W332 HydrophobicContact CG2-CZ2 3.7Å; V303-W332 HydrophobicContact CG1-CB 3.91Å; V303-W332 HydrophobicContact CG1-CG 3.79Å; V303-W332 PolarHBondContact O-N 2.76Å | ||
| 333 | D | 91.3 | Very high | 93.1 | Very high | 5 Ų | 5 | 7.5 Ų | 7.5 | 3% | 0.027 | 5% | 0.045 | C | C | . | . | trans | -84.2 | 160.8 | -170.9 | -150.5 | 0.6 | 0 | 0 | 0 | 112.8 | V238 N239 T240 P331 S724 | V238-D333 CarbonylContact C-O 3.52Å; V238-D333 WeakPolarHBondContact CA-O 3.23Å; V238-D333 WeakPolarHBondContact CG1-O 3.17Å; N239-D333 PolarHBondContact N-O 3.48Å; N239-D333 PolarHBondContact OD1-O 2.98Å; T240-D333 HydrophobicContact CG2-CB 3.98Å; T240-D333 PolarHBondContact OG1-N 3.38Å; T240-D333 PolarHBondContact OG1-O 3.16Å; P331-D333 PolarHBondContact O-N 3.48Å; D333-S724 WeakPolarHBondContact OD2-CA 3.27Å; D333-S724 VanDerWaalsContact OD2-CB 3.22Å; D333-S724 WeakPolarHBondContact OD2-CB 3.41Å; D333-S724 PolarHBondContact OD2-N 3.41Å; D333-S724 PolarHBondContact OD2-OG 3.32Å | ||
| 334 | G | 91.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.01 | 5% | 0.048 | C | C | . | . | S | Bend | trans | 127.8 | 168 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E237 N239 A336 D351 | E237-G334 CarbonylContact O-C 3.48Å; E237-G334 WeakPolarHBondContact O-CA 3.36Å; N239-G334 PolarHBondContact OD1-N 2.91Å; G334-A336 PolarHBondContact O-N 3.13Å; G334-D351 VanDerWaalsContact O-CB 3.29Å; G334-D351 WeakPolarHBondContact O-CB 3.4Å |
| 335 | P | 90.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.013 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -58.1 | 126.5 | 172.1 | -19.5 | 31.1 | 0 | 0 | 0 | 109.4 | H234 G236 E237 L355 R356 N515 P516 | H234-P335 PolarHBondContact NE2-O 3.13Å; G236-P335 CarbonylContact C-O 3.51Å; G236-P335 WeakPolarHBondContact CA-O 3.46Å; E237-P335 PolarHBondContact N-O 3.35Å; E237-P335 WeakPolarHBondContact O-CD 3.23Å; P335-L355 HydrophobicContact CB-CB 3.73Å; P335-L355 HydrophobicContact CB-CD1 4.18Å; P335-L355 HydrophobicContact CG-CB 4.17Å; P335-L355 HydrophobicContact CG-CD1 3.83Å; P335-R356 HydrophobicContact CB-CG 4.04Å; P335-N515 HydrophobicContact CG-CB 3.67Å; P335-P516 HydrophobicContact CG-CG 4.24Å |
| 336 | A | 91.7 | Very high | 92.4 | Very high | 7 Ų | 7 | 10.9 Ų | 10.9 | 6% | 0.058 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 124.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | H234 G334 L338 L350 D351 | H234-A336 WeakPolarHBondContact NE2-CB 3.31Å; G334-A336 PolarHBondContact O-N 3.13Å; A336-L338 HydrophobicContact CB-CD2 4.15Å; A336-L338 HydrophobicContact CB-CG 4.12Å; A336-L350 CarbonylContact O-C 3.5Å; A336-L350 WeakPolarHBondContact O-CA 3.38Å; A336-D351 HydrophobicContact CB-CB 4.04Å; A336-D351 PolarHBondContact N-OD1 3.49Å; A336-D351 PolarHBondContact O-N 3.06Å |
| 337 | L | 92.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 10.2 Ų | 10.2 | 5% | 0.047 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 109.7 | 149.3 | 166.9 | 59.4 | 0 | 0 | 0 | 107.8 | H234 N235 T339 A348 L350 R356 A358 M370 | H234-L337 WeakPolarHBondContact CA-O 3.39Å; N235-L337 HydrophobicContact CB-CB 4.4Å; N235-L337 PolarHBondContact N-O 3.38Å; N235-L337 PolarHBondContact O-N 3.43Å; L337-T339 HydrophobicContact CD1-CG2 4.42Å; L337-A348 HydrophobicContact CD1-CB 4.15Å; L337-L350 HydrophobicContact CB-CD2 4Å; L337-L350 HydrophobicContact CD1-CD2 3.94Å; L337-R356 HydrophobicContact CB-CB 3.81Å; L337-R356 HydrophobicContact CB-CG 4.5Å; L337-A358 HydrophobicContact CD1-CB 3.98Å; L337-A358 HydrophobicContact CD2-CB 4.21Å; L337-M370 HydrophobicContact CD1-CE 3.21Å; L337-M370 HydrophobicContact CD2-CE 3.6Å; L337-M370 HydrophobicContact CG-CE 3.92Å |
| 338 | L | 92.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.005 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.7 | 176.6 | -60.3 | -173.8 | 0 | 0 | 0 | 109 | L232 S233 H234 L281 V304 A336 A348 I349 | L232-L338 HydrophobicContact CD1-CB 3.74Å; L232-L338 HydrophobicContact CD1-CD1 4.39Å; L232-L338 HydrophobicContact CD1-CD2 3.85Å; L232-L338 HydrophobicContact CD1-CG 4.19Å; L232-L338 HydrophobicContact CD2-CD2 4.14Å; L232-L338 HydrophobicContact CG-CD2 4.42Å; S233-L338 WeakPolarHBondContact O-CA 3.26Å; H234-L338 HydrophobicContact CB-CD2 3.75Å; H234-L338 WeakPolarHBondContact CD2-CD2 3.32Å; L281-L338 HydrophobicContact CD2-CD1 4.03Å; L281-L338 HydrophobicContact CD2-CD2 3.68Å; V304-L338 HydrophobicContact CB-CD1 4.4Å; V304-L338 HydrophobicContact CG2-CD1 3.48Å; V304-L338 VanDerWaalsContact CG2-CD1 3.48Å; A336-L338 HydrophobicContact CB-CD2 4.15Å; A336-L338 HydrophobicContact CB-CG 4.12Å; L338-A348 CarbonylContact O-C 3.52Å; L338-A348 WeakPolarHBondContact O-CA 3.37Å; L338-I349 HydrophobicContact CB-CG2 3.74Å; L338-I349 HydrophobicContact CD1-CG2 4.11Å; L338-I349 HydrophobicContact CG-CG2 4.33Å; L338-I349 PolarHBondContact N-O 3.06Å; L338-I349 PolarHBondContact O-N 3.17Å |
| 339 | T | 93.4 | Very high | 92 | Very high | 18 Ų | 18 | 10 Ų | 10 | 11% | 0.11 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.9 | 165.6 | 55.2 | 0 | 0 | 0 | 0 | 108.5 | M210 L232 S233 L337 G347 A348 M370 | M210-T339 PolarHBondContact SD-OG1 3.05Å; L232-T339 CarbonylContact C-O 3.13Å; S233-T339 WeakPolarHBondContact CB-OG1 3.46Å; S233-T339 PolarHBondContact N-O 2.93Å; S233-T339 PolarHBondContact O-N 3.37Å; S233-T339 PolarHBondContact O-OG1 3.34Å; L337-T339 HydrophobicContact CD1-CG2 4.42Å; T339-G347 CarbonylContact C-O 3.56Å; T339-G347 VanDerWaalsContact CA-O 3.27Å; T339-G347 WeakPolarHBondContact CA-O 3.27Å; T339-A348 HydrophobicContact CG2-CB 4.05Å; T339-M370 HydrophobicContact CG2-CE 3.8Å; T339-M370 HydrophobicContact CG2-SD 3.91Å |
| 340 | F | 94.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.009 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 146.6 | -173.6 | 52.2 | -101.2 | 0 | 0 | 0 | 111.3 | V231 L232 L296 A300 I346 G347 I349 M381 L383 | V231-F340 CarbonylContact O-C 3.54Å; V231-F340 WeakPolarHBondContact O-CA 2.75Å; L232-F340 HydrophobicContact CD1-CB 4.39Å; L296-F340 HydrophobicContact CD1-CB 4.34Å; L296-F340 HydrophobicContact CD1-CD2 4.39Å; L296-F340 HydrophobicContact CD2-CB 4.05Å; L296-F340 HydrophobicContact CD2-CD2 3.55Å; L296-F340 HydrophobicContact CD2-CE2 4.46Å; L296-F340 HydrophobicContact CD2-CG 4.2Å; L296-F340 HydrophobicContact CG-CB 4.34Å; L296-F340 HydrophobicContact CG-CD2 3.6Å; L296-F340 HydrophobicContact CG-CE2 4.24Å; L296-F340 HydrophobicContact CG-CG 4.19Å; A300-F340 HydrophobicContact CB-CD1 4.22Å; A300-F340 HydrophobicContact CB-CE1 3.81Å; A300-F340 HydrophobicContact CB-CZ 4.13Å; F340-I346 WeakPolarHBondContact O-CA 3.29Å; F340-G347 PolarHBondContact N-O 3.08Å; F340-G347 PolarHBondContact O-N 3Å; F340-I349 HydrophobicContact CD1-CG2 4.35Å; F340-I349 HydrophobicContact CE1-CB 4.07Å; F340-I349 HydrophobicContact CE1-CG2 3.84Å; F340-M381 HydrophobicContact CZ-CE 4.05Å; F340-M381 HydrophobicContact CZ-CG 4.13Å; F340-M381 HydrophobicContact CZ-SD 3.97Å; F340-L383 HydrophobicContact CE2-CD1 3.91Å |
| 341 | C | 93.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.007 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 132.1 | -177.2 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | M55 M210 V231 G343 Y345 I346 | M55-C341 HydrophobicContact SD-CB 3.75Å; M210-C341 HydrophobicContact CE-CB 4.28Å; V231-C341 VanDerWaalsContact CG1-O 3.23Å; V231-C341 WeakPolarHBondContact CG1-O 3.49Å; V231-C341 PolarHBondContact O-N 3.33Å; C341-G343 PolarHBondContact SG-N 3.47Å; C341-G343 VanDerWaalsContact SG-N 3.42Å; C341-Y345 VanDerWaalsContact CA-O 3.23Å; C341-Y345 WeakPolarHBondContact CA-O 3.48Å; C341-I346 HydrophobicContact CB-CB 4.36Å; C341-I346 HydrophobicContact CB-CD1 4.32Å; C341-I346 HydrophobicContact CB-CG1 4.2Å |
| 342 | D | 90.4 | Very high | 91.5 | Very high | 25 Ų | 25 | 10.4 Ų | 10.4 | 13% | 0.134 | 5% | 0.049 | C | C | . | . | trans | -112.7 | 5.8 | 171.4 | 64.4 | 10.7 | 0 | 0 | 0 | 113.4 | L296 R344 Y345 | L296-D342 HydrophobicContact CD2-CB 3.98Å; D342-R344 PolarHBondContact OD1-N 3.26Å; D342-Y345 PolarHBondContact N-O 3.45Å; D342-Y345 VanDerWaalsContact N-O 3.13Å; D342-Y345 PolarHBondContact OD1-N 3.45Å | ||
| 343 | G | 87 | Confident | 91.2 | Very high | 5 Ų | 5 | 11.2 Ų | 11.2 | 5% | 0.052 | 5% | 0.054 | C | C | . | . | S | Bend | trans | 97.3 | -25.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | H207 I208 C341 | H207-G343 PolarHBondContact NE2-O 2.81Å; I208-G343 WeakPolarHBondContact CD1-O 3.27Å; C341-G343 PolarHBondContact SG-N 3.47Å; C341-G343 VanDerWaalsContact SG-N 3.42Å |
| 344 | R | 88.5 | Confident | 91.2 | Very high | 69 Ų | 69 | 12.1 Ų | 12.1 | 26% | 0.26 | 6% | 0.064 | S | C | . | . | S | Bend | trans | -104.4 | -48.8 | 172.1 | 172.1 | 177.6 | 174.4 | 179.2 | -13.7 | 112 | D342 D385 T386 E387 | D342-R344 PolarHBondContact OD1-N 3.26Å; R344-D385 IonicContact CZ-OD1 3.34Å; R344-D385 IonicContact CZ-OD2 3.98Å; R344-D385 IonicContact NE-OD1 3.58Å; R344-D385 PolarHBondContact NE-OD1 3.47Å; R344-D385 VanDerWaalsContact NE-OD1 3.12Å; R344-D385 IonicContact NE-OD2 3.5Å; R344-D385 IonicContact NH2-OD1 3.35Å; R344-D385 IonicContact NH2-OD2 3.54Å; R344-D385 PolarHBondContact NH2-OD2 3.29Å; R344-T386 WeakPolarHBondContact CA-OG1 3.32Å; R344-T386 WeakPolarHBondContact O-CB 3.41Å; R344-T386 WeakPolarHBondContact O-CG2 3.42Å; R344-T386 PolarHBondContact O-N 3.44Å; R344-T386 PolarHBondContact O-OG1 3.19Å; R344-E387 VanDerWaalsContact CD-OE2 3.24Å; R344-E387 WeakPolarHBondContact CD-OE2 3.38Å; R344-E387 HydrophobicContact CG-CB 4.37Å; R344-E387 HydrophobicContact CG-CG 4Å; R344-E387 IonicContact CZ-OE2 3.97Å; R344-E387 IonicContact NE-OE2 2.69Å; R344-E387 PolarHBondContact NE-OE2 2.9Å; R344-E387 VanDerWaalsContact NE-OE2 3.15Å; R344-E387 IonicContact NH1-OE2 3.33Å; R344-E387 PolarHBondContact NH1-OE2 3.13Å |
| 345 | Y | 90.6 | Very high | 91.1 | Very high | 42 Ų | 42 | 12.6 Ų | 12.6 | 17% | 0.165 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 135.1 | 175.4 | -70.4 | -63.8 | 0 | 0 | 0 | 108.7 | C341 D342 L383 V384 D385 | C341-Y345 VanDerWaalsContact CA-O 3.23Å; C341-Y345 WeakPolarHBondContact CA-O 3.48Å; D342-Y345 PolarHBondContact N-O 3.45Å; D342-Y345 VanDerWaalsContact N-O 3.13Å; D342-Y345 PolarHBondContact OD1-N 3.45Å; Y345-L383 HydrophobicContact CD1-CD1 3.95Å; Y345-L383 HydrophobicContact CD1-CD2 3.9Å; Y345-L383 HydrophobicContact CD1-CG 4.04Å; Y345-L383 HydrophobicContact CE1-CD2 4.14Å; Y345-L383 HydrophobicContact CG-CD1 4.28Å; Y345-V384 WeakPolarHBondContact CA-O 3.48Å; Y345-D385 HydrophobicContact CD1-CB 4.13Å; Y345-D385 HydrophobicContact CE1-CB 3.67Å; Y345-D385 VanDerWaalsContact CE1-CG 3.49Å; Y345-D385 VanDerWaalsContact CE1-OD2 3.31Å; Y345-D385 WeakPolarHBondContact CE1-OD2 3.33Å; Y345-D385 PolarHBondContact OH-OD2 2.85Å; Y345-D385 VanDerWaalsContact OH-OD2 3.08Å |
| 346 | I | 91.9 | Very high | 91 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 131.4 | 161.6 | -175.9 | 162.5 | 0 | 0 | 0 | 108.6 | I15 L17 I208 M210 F340 C341 V384 | I15-I346 HydrophobicContact CB-CD1 4.25Å; I15-I346 HydrophobicContact CB-CG1 4.45Å; I15-I346 HydrophobicContact CD1-CD1 4.38Å; I15-I346 HydrophobicContact CD1-CG1 4.01Å; I15-I346 HydrophobicContact CG1-CD1 3.85Å; I15-I346 HydrophobicContact CG1-CG1 4.01Å; I15-I346 HydrophobicContact CG2-CB 4.05Å; I15-I346 HydrophobicContact CG2-CD1 3.66Å; I15-I346 HydrophobicContact CG2-CG1 3.62Å; I15-I346 HydrophobicContact CG2-CG2 3.33Å; L17-I346 HydrophobicContact CD1-CG2 3.56Å; I208-I346 HydrophobicContact CD1-CB 4.48Å; I208-I346 HydrophobicContact CD1-CG2 4.32Å; I208-I346 HydrophobicContact CG1-CG2 4.36Å; I208-I346 HydrophobicContact CG2-CB 4.26Å; I208-I346 HydrophobicContact CG2-CD1 3.36Å; I208-I346 HydrophobicContact CG2-CG1 4.36Å; I208-I346 HydrophobicContact CG2-CG2 4.39Å; M210-I346 HydrophobicContact CB-CD1 4.15Å; F340-I346 WeakPolarHBondContact O-CA 3.29Å; C341-I346 HydrophobicContact CB-CB 4.36Å; C341-I346 HydrophobicContact CB-CD1 4.32Å; C341-I346 HydrophobicContact CB-CG1 4.2Å; I346-V384 HydrophobicContact CG2-CB 4.16Å; I346-V384 PolarHBondContact N-O 2.93Å; I346-V384 PolarHBondContact O-N 3.48Å |
| 347 | G | 90.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 176.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T339 F340 L382 | T339-G347 CarbonylContact C-O 3.56Å; T339-G347 VanDerWaalsContact CA-O 3.27Å; T339-G347 WeakPolarHBondContact CA-O 3.27Å; F340-G347 PolarHBondContact N-O 3.08Å; F340-G347 PolarHBondContact O-N 3Å; G347-L382 CarbonylContact C-O 3.59Å; G347-L382 WeakPolarHBondContact CA-O 3.4Å |
| 348 | A | 91.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.008 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 142.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L337 L338 T339 M370 M381 L382 | L337-A348 HydrophobicContact CD1-CB 4.15Å; L338-A348 CarbonylContact O-C 3.52Å; L338-A348 WeakPolarHBondContact O-CA 3.37Å; T339-A348 HydrophobicContact CG2-CB 4.05Å; A348-M370 HydrophobicContact CB-CE 3.36Å; A348-M370 HydrophobicContact CB-CG 4.46Å; A348-M370 HydrophobicContact CB-SD 4.29Å; A348-M381 CarbonylContact O-C 3.56Å; A348-M381 VanDerWaalsContact O-CA 3.24Å; A348-M381 WeakPolarHBondContact O-CA 3.28Å; A348-M381 WeakPolarHBondContact O-CG 3.45Å; A348-L382 HydrophobicContact CB-CB 4.46Å; A348-L382 PolarHBondContact N-O 3.12Å; A348-L382 PolarHBondContact O-N 2.93Å |
| 349 | I | 91.2 | Very high | 90 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.01 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.6 | 170.4 | -169.1 | 170.5 | 0 | 0 | 0 | 109.4 | A300 L338 F340 M381 | A300-I349 HydrophobicContact CB-CG2 4.31Å; L338-I349 HydrophobicContact CB-CG2 3.74Å; L338-I349 HydrophobicContact CD1-CG2 4.11Å; L338-I349 HydrophobicContact CG-CG2 4.33Å; L338-I349 PolarHBondContact N-O 3.06Å; L338-I349 PolarHBondContact O-N 3.17Å; F340-I349 HydrophobicContact CD1-CG2 4.35Å; F340-I349 HydrophobicContact CE1-CB 4.07Å; F340-I349 HydrophobicContact CE1-CG2 3.84Å; I349-M381 HydrophobicContact CB-CE 4.43Å; I349-M381 HydrophobicContact CD1-CE 3.89Å |
| 350 | L | 91.2 | Very high | 89.7 | Confident | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 152.1 | 169.6 | -74.1 | -180 | 0 | 0 | 0 | 110.7 | A336 L337 R356 A358 L376 G379 | A336-L350 CarbonylContact O-C 3.5Å; A336-L350 WeakPolarHBondContact O-CA 3.38Å; L337-L350 HydrophobicContact CB-CD2 4Å; L337-L350 HydrophobicContact CD1-CD2 3.94Å; L350-R356 HydrophobicContact CD2-CB 4.45Å; L350-R356 WeakPolarHBondContact CD2-O 3.21Å; L350-A358 HydrophobicContact CD1-CB 4.38Å; L350-A358 HydrophobicContact CD2-CB 3.98Å; L350-A358 HydrophobicContact CG-CB 4.31Å; L350-L376 HydrophobicContact CD1-CB 3.53Å; L350-L376 HydrophobicContact CG-CB 4.23Å; L350-G379 WeakPolarHBondContact O-CA 3.42Å |
| 351 | D | 91.9 | Very high | 89.2 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.011 | 12% | 0.124 | C | C | . | . | trans | -55.9 | 165.3 | 166 | 72.3 | -90.1 | 0 | 0 | 0 | 112 | G334 A336 N353 G354 L355 G379 | G334-D351 VanDerWaalsContact O-CB 3.29Å; G334-D351 WeakPolarHBondContact O-CB 3.4Å; A336-D351 HydrophobicContact CB-CB 4.04Å; A336-D351 PolarHBondContact N-OD1 3.49Å; A336-D351 PolarHBondContact O-N 3.06Å; D351-N353 PolarHBondContact O-N 3.4Å; D351-N353 VanDerWaalsContact O-N 3.13Å; D351-N353 VanDerWaalsContact OD2-CA 3.28Å; D351-N353 WeakPolarHBondContact OD2-CA 3.45Å; D351-N353 VanDerWaalsContact OD2-CB 3.3Å; D351-N353 WeakPolarHBondContact OD2-CB 3.19Å; D351-N353 PolarHBondContact OD2-N 3.39Å; D351-G354 PolarHBondContact O-N 3.29Å; D351-G354 VanDerWaalsContact O-N 3.1Å; D351-G354 PolarHBondContact OD2-N 3.46Å; D351-L355 PolarHBondContact OD1-N 2.83Å; D351-L355 PolarHBondContact OD2-N 2.83Å; D351-G379 PolarHBondContact O-N 2.97Å | ||
| 352 | R | 90.5 | Very high | 88.7 | Confident | 15 Ų | 15 | 29.1 Ų | 29.1 | 6% | 0.057 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.8 | -176.8 | 55 | 172.4 | 47 | -151.9 | -3.9 | 114.7 | A307 P378 V526 S724 | A307-R352 HydrophobicContact CB-CB 4.41Å; R352-P378 WeakPolarHBondContact O-CB 3.4Å; R352-V526 PolarHBondContact NH1-O 3.05Å; R352-S724 WeakPolarHBondContact CD-OG 3.4Å |
| 353 | N | 89.5 | Confident | 88.5 | Confident | 24 Ų | 24 | 30.1 Ų | 30.1 | 13% | 0.128 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -15.9 | -178.1 | -61.3 | -22.3 | 0 | 0 | 0 | 111.2 | D351 L355 P378 I518 V526 S724 | D351-N353 PolarHBondContact O-N 3.4Å; D351-N353 VanDerWaalsContact O-N 3.13Å; D351-N353 VanDerWaalsContact OD2-CA 3.28Å; D351-N353 WeakPolarHBondContact OD2-CA 3.45Å; D351-N353 VanDerWaalsContact OD2-CB 3.3Å; D351-N353 WeakPolarHBondContact OD2-CB 3.19Å; D351-N353 PolarHBondContact OD2-N 3.39Å; N353-L355 HydrophobicContact CB-CD1 3.94Å; N353-L355 HydrophobicContact CB-CD2 3.98Å; N353-L355 HydrophobicContact CB-CG 3.62Å; N353-P378 WeakPolarHBondContact O-CG 3.3Å; N353-I518 VanDerWaalsContact ND2-CD1 3.3Å; N353-I518 WeakPolarHBondContact ND2-CD1 3.36Å; N353-V526 WeakPolarHBondContact OD1-CB 3.3Å; N353-V526 WeakPolarHBondContact OD1-CG1 3.42Å; N353-V526 WeakPolarHBondContact OD1-CG2 3.28Å; N353-S724 PolarHBondContact ND2-OG 3.35Å; N353-S724 VanDerWaalsContact ND2-OG 3.17Å |
| 354 | G | 89.5 | Confident | 88.3 | Confident | 24 Ų | 24 | 38.1 Ų | 38.1 | 25% | 0.247 | 19% | 0.193 | C | C | . | . | trans | 63.3 | 46.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D351 R356 | D351-G354 PolarHBondContact O-N 3.29Å; D351-G354 VanDerWaalsContact O-N 3.1Å; D351-G354 PolarHBondContact OD2-N 3.46Å; G354-R356 PolarHBondContact O-N 3.23Å | ||
| 355 | L | 89.9 | Confident | 87.9 | Confident | 12 Ų | 12 | 40.9 Ų | 40.9 | 6% | 0.063 | 21% | 0.209 | C | C | . | . | trans | -77.5 | -11.9 | -174.7 | -63.2 | 170.4 | 0 | 0 | 0 | 112.5 | P335 D351 N353 P516 Y989 | P335-L355 HydrophobicContact CB-CB 3.73Å; P335-L355 HydrophobicContact CB-CD1 4.18Å; P335-L355 HydrophobicContact CG-CB 4.17Å; P335-L355 HydrophobicContact CG-CD1 3.83Å; D351-L355 PolarHBondContact OD1-N 2.83Å; D351-L355 PolarHBondContact OD2-N 2.83Å; N353-L355 HydrophobicContact CB-CD1 3.94Å; N353-L355 HydrophobicContact CB-CD2 3.98Å; N353-L355 HydrophobicContact CB-CG 3.62Å; L355-P516 HydrophobicContact CD1-CG 4Å; L355-P516 HydrophobicContact CD2-CG 4.11Å; L355-P516 HydrophobicContact CG-CG 4.49Å; L355-Y989 HydrophobicContact CB-CD2 4.47Å; L355-Y989 HydrophobicContact CD2-CD1 4.44Å; L355-Y989 HydrophobicContact CD2-CD2 4.48Å; L355-Y989 HydrophobicContact CD2-CE1 4.2Å; L355-Y989 HydrophobicContact CD2-CE2 4.25Å; L355-Y989 WeakPolarHBondContact O-CB 3.29Å; L355-Y989 WeakPolarHBondContact O-CD2 3.46Å | ||
| 356 | R | 89.2 | Confident | 87.4 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 2% | 0.023 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -111.6 | 142 | 172.7 | -57.5 | -53.3 | -53.6 | 141.7 | -16.5 | 111.7 | N235 P335 L337 L350 G354 S990 E992 D993 | N235-R356 WeakPolarHBondContact O-CG 3.34Å; N235-R356 PolarHBondContact OD1-NE 3.46Å; N235-R356 PolarHBondContact OD1-NH2 3.39Å; P335-R356 HydrophobicContact CB-CG 4.04Å; L337-R356 HydrophobicContact CB-CB 3.81Å; L337-R356 HydrophobicContact CB-CG 4.5Å; L350-R356 HydrophobicContact CD2-CB 4.45Å; L350-R356 WeakPolarHBondContact CD2-O 3.21Å; G354-R356 PolarHBondContact O-N 3.23Å; R356-S990 VanDerWaalsContact CZ-OG 3.24Å; R356-S990 PolarHBondContact NH1-OG 2.77Å; R356-S990 PolarHBondContact NH2-OG 3.45Å; R356-E992 IonicContact CZ-OE1 3.3Å; R356-E992 IonicContact NE-OE1 3.55Å; R356-E992 VanDerWaalsContact NH2-CD 3.32Å; R356-E992 IonicContact NH2-OE1 2.75Å; R356-E992 PolarHBondContact NH2-OE1 3.38Å; R356-D993 IonicContact CZ-OD2 2.88Å; R356-D993 IonicContact NH1-OD1 2.91Å; R356-D993 IonicContact NH1-OD2 2.79Å; R356-D993 PolarHBondContact NH1-OD2 2.87Å; R356-D993 IonicContact NH2-OD1 3.82Å; R356-D993 PolarHBondContact NH2-OD1 2.97Å; R356-D993 IonicContact NH2-OD2 3.77Å |
| 357 | P | 85.9 | Confident | 86.8 | Confident | 33 Ų | 33 | 44.6 Ų | 44.6 | 21% | 0.214 | 23% | 0.232 | C | C | . | . | trans | -69.9 | 144 | 175.1 | 28.2 | -35.1 | 0 | 0 | 0 | 111.5 | S372 G374 | P357-S372 WeakPolarHBondContact CB-O 3.36Å; P357-S372 WeakPolarHBondContact CG-O 3.3Å; P357-S372 WeakPolarHBondContact O-CA 3.48Å; P357-G374 CarbonylContact C-O 3.54Å; P357-G374 WeakPolarHBondContact CA-O 3.37Å | ||
| 358 | A | 85.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -149.9 | 112.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L337 L350 M370 A371 G374 R375 L376 | L337-A358 HydrophobicContact CD1-CB 3.98Å; L337-A358 HydrophobicContact CD2-CB 4.21Å; L350-A358 HydrophobicContact CD1-CB 4.38Å; L350-A358 HydrophobicContact CD2-CB 3.98Å; L350-A358 HydrophobicContact CG-CB 4.31Å; A358-M370 HydrophobicContact CB-CE 3.79Å; A358-A371 CarbonylContact C-O 3.59Å; A358-A371 VanDerWaalsContact CA-O 3.22Å; A358-A371 WeakPolarHBondContact CA-O 2.77Å; A358-G374 CarbonylContact C-O 3.16Å; A358-G374 PolarHBondContact N-O 2.87Å; A358-G374 CarbonylContact O-C 3.57Å; A358-R375 CarbonylContact O-C 3.33Å; A358-R375 WeakPolarHBondContact O-CA 3.21Å; A358-R375 PolarHBondContact O-N 2.92Å; A358-L376 HydrophobicContact CB-CB 4.11Å; A358-L376 HydrophobicContact CB-CD1 3.52Å; A358-L376 HydrophobicContact CB-CG 4.43Å; A358-L376 PolarHBondContact O-N 3.38Å |
| 359 | R | 85 | Confident | 86.2 | Confident | 130 Ų | 130 | 46.1 Ų | 46.1 | 49% | 0.491 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 155.1 | 168.4 | -95.5 | -174.8 | -156.4 | 125.2 | -0.3 | 110.3 | M370 A371 E373 G374 | R359-M370 CarbonylContact O-C 3.54Å; R359-M370 WeakPolarHBondContact O-CA 3.35Å; R359-A371 PolarHBondContact N-O 2.84Å; R359-A371 PolarHBondContact O-N 3.01Å; R359-E373 WeakPolarHBondContact CB-O 3.45Å; R359-E373 WeakPolarHBondContact CD-O 3.45Å; R359-E373 WeakPolarHBondContact CG-O 3.36Å; R359-E373 PolarHBondContact NE-O 2.78Å; R359-E373 PolarHBondContact NH1-O 2.71Å; R359-G374 VanDerWaalsContact CG-CA 3.45Å |
| 360 | F | 85.3 | Confident | 85.9 | Confident | 84 Ų | 84 | 46.3 Ų | 46.3 | 37% | 0.368 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 153.1 | 160.9 | 73.7 | -82.4 | 0 | 0 | 0 | 112.3 | I362 Y369 M370 L376 L382 | F360-I362 HydrophobicContact CD2-CG1 4.28Å; F360-I362 HydrophobicContact CE2-CD1 4.27Å; F360-I362 HydrophobicContact CE2-CG1 4.4Å; F360-Y369 CarbonylContact C-O 3.52Å; F360-Y369 VanDerWaalsContact C-O 3.31Å; F360-Y369 WeakPolarHBondContact CA-O 3.29Å; F360-Y369 WeakPolarHBondContact CB-O 3.38Å; F360-M370 HydrophobicContact CB-CB 4.06Å; F360-M370 HydrophobicContact CB-CG 4.36Å; F360-L376 HydrophobicContact CD1-CD1 4.35Å; F360-L376 HydrophobicContact CD1-CG 4.47Å; F360-L382 HydrophobicContact CB-CD2 3.79Å; F360-L382 HydrophobicContact CD1-CD1 4.07Å; F360-L382 HydrophobicContact CD1-CD2 4.27Å; F360-L382 HydrophobicContact CD2-CD1 4.01Å; F360-L382 HydrophobicContact CD2-CD2 4.43Å; F360-L382 HydrophobicContact CE1-CD1 4.13Å; F360-L382 HydrophobicContact CE2-CD1 4.07Å; F360-L382 HydrophobicContact CG-CD1 4.01Å; F360-L382 HydrophobicContact CG-CD2 3.91Å; F360-L382 HydrophobicContact CZ-CD1 4.13Å |
| 361 | S | 85 | Confident | 85.2 | Confident | 50 Ų | 50 | 46.6 Ų | 46.6 | 35% | 0.35 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 153.9 | 174.4 | -72.3 | 0 | 0 | 0 | 0 | 109.4 | L12 I368 Y369 | L12-S361 WeakPolarHBondContact CD2-OG 3.44Å; S361-I368 CarbonylContact O-C 3.56Å; S361-Y369 PolarHBondContact N-O 3.36Å; S361-Y369 PolarHBondContact O-N 3.08Å |
| 362 | I | 83.7 | Confident | 84.1 | Confident | 84 Ų | 84 | 47.2 Ų | 47.2 | 43% | 0.431 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129 | 176.9 | -49.3 | 175.8 | 0 | 0 | 0 | 106.8 | F360 L367 I368 L391 | F360-I362 HydrophobicContact CD2-CG1 4.28Å; F360-I362 HydrophobicContact CE2-CD1 4.27Å; F360-I362 HydrophobicContact CE2-CG1 4.4Å; I362-L367 CarbonylContact C-O 2.94Å; I362-L367 WeakPolarHBondContact CA-O 3.38Å; I362-I368 HydrophobicContact CG1-CG1 4.24Å; I362-I368 HydrophobicContact CG2-CG1 4.23Å; I362-L391 HydrophobicContact CD1-CD2 3.42Å; I362-L391 VanDerWaalsContact CD1-CD2 3.42Å |
| 363 | T | 85.7 | Confident | 82.6 | Confident | 46 Ų | 46 | 50.2 Ų | 50.2 | 28% | 0.282 | 26% | 0.261 | S | S | . | . | trans | -87.5 | 166.1 | 177.2 | 74.5 | 0 | 0 | 0 | 0 | 111 | E365 N366 L367 Y369 | T363-E365 PolarHBondContact O-N 3.15Å; T363-E365 PolarHBondContact OG1-N 3.25Å; T363-N366 PolarHBondContact O-N 3.36Å; T363-L367 HydrophobicContact CG2-CB 4.15Å; T363-L367 PolarHBondContact N-O 3.28Å; T363-L367 WeakPolarHBondContact OG1-CB 3.34Å; T363-L367 PolarHBondContact OG1-N 3.45Å; T363-Y369 HydrophobicContact CG2-CD2 3.96Å; T363-Y369 HydrophobicContact CG2-CE2 3.49Å; T363-Y369 VanDerWaalsContact CG2-CE2 3.49Å | ||
| 364 | N | 82.9 | Confident | 80.7 | Confident | 172 Ų | 172 | 50.2 Ų | 50.2 | 92% | 0.92 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -18.6 | 174.3 | -63.2 | -20.6 | 0 | 0 | 0 | 112.8 | N366 | N364-N366 PolarHBondContact O-N 3.17Š|
| 365 | E | 80.4 | Confident | 79.2 | Confident | 127 Ų | 127 | 59.2 Ų | 59.2 | 59% | 0.593 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 9.8 | 175.7 | -65.1 | 160.1 | -169.5 | 0 | 0 | 112 | C18 T363 L367 | C18-E365 PolarHBondContact SG-O 3.35Å; T363-E365 PolarHBondContact O-N 3.15Å; T363-E365 PolarHBondContact OG1-N 3.25Å; E365-L367 PolarHBondContact O-N 2.88Å |
| 366 | N | 79.4 | Confident | 78 | Confident | 119 Ų | 119 | 59.6 Ų | 59.6 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | trans | 62.2 | 19.8 | -175.8 | -60 | -47.7 | 0 | 0 | 0 | 114.8 | T363 N364 | T363-N366 PolarHBondContact O-N 3.36Å; N364-N366 PolarHBondContact O-N 3.17Å | ||
| 367 | L | 79.4 | Confident | 77.3 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | trans | -73.9 | 132.4 | 167.9 | -69.4 | 158.6 | 0 | 0 | 0 | 109.3 | N16 C18 L24 I25 I362 T363 E365 Y369 | N16-L367 HydrophobicContact CB-CD2 4.33Å; C18-L367 HydrophobicContact CB-CD2 3.23Å; C18-L367 HydrophobicContact CB-CG 3.7Å; L24-L367 HydrophobicContact CD2-CD1 3.99Å; I25-L367 HydrophobicContact CG1-CD2 4.48Å; I362-L367 CarbonylContact C-O 2.94Å; I362-L367 WeakPolarHBondContact CA-O 3.38Å; T363-L367 HydrophobicContact CG2-CB 4.15Å; T363-L367 PolarHBondContact N-O 3.28Å; T363-L367 WeakPolarHBondContact OG1-CB 3.34Å; T363-L367 PolarHBondContact OG1-N 3.45Å; E365-L367 PolarHBondContact O-N 2.88Å; L367-Y369 HydrophobicContact CB-CD2 4.23Å; L367-Y369 HydrophobicContact CB-CE2 3.51Å; L367-Y369 HydrophobicContact CD1-CE2 4.37Å; L367-Y369 HydrophobicContact CG-CE2 4.5Å | ||
| 368 | I | 85.2 | Confident | 76.7 | Confident | 10 Ų | 10 | 69 Ų | 69 | 5% | 0.051 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 136.6 | 175.4 | -63.3 | 177.6 | 0 | 0 | 0 | 108.2 | I15 N16 S361 I362 V384 L391 | I15-I368 CarbonylContact C-O 3.41Å; I15-I368 PolarHBondContact N-O 3.37Å; I15-I368 CarbonylContact O-C 3.49Å; I15-I368 WeakPolarHBondContact O-CB 3.49Å; N16-I368 WeakPolarHBondContact CA-O 3.49Å; N16-I368 PolarHBondContact N-O 3Å; N16-I368 PolarHBondContact OD1-O 2.93Å; S361-I368 CarbonylContact O-C 3.56Å; I362-I368 HydrophobicContact CG1-CG1 4.24Å; I362-I368 HydrophobicContact CG2-CG1 4.23Å; I368-V384 HydrophobicContact CD1-CB 4.47Å; I368-V384 HydrophobicContact CD1-CG1 3.98Å; I368-V384 HydrophobicContact CD1-CG2 3.58Å; I368-L391 HydrophobicContact CD1-CB 4.28Å; I368-L391 HydrophobicContact CD1-CD1 4.11Å |
| 369 | Y | 85.2 | Confident | 75.9 | Confident | 22 Ų | 22 | 69 Ų | 69 | 9% | 0.086 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 120.7 | 175.8 | -67 | -111.3 | 0 | 0 | 0 | 108.8 | L12 G13 S14 N16 E28 F360 S361 T363 L367 | L12-Y369 HydrophobicContact CB-CD1 4.19Å; L12-Y369 HydrophobicContact CD1-CD1 4.37Å; L12-Y369 HydrophobicContact CD1-CG 4.26Å; G13-Y369 CarbonylContact O-C 3.55Å; G13-Y369 WeakPolarHBondContact O-CB 3.14Å; S14-Y369 WeakPolarHBondContact OG-CD1 3.4Å; S14-Y369 WeakPolarHBondContact OG-CE1 3.37Å; N16-Y369 WeakPolarHBondContact OD1-CE2 3.43Å; E28-Y369 WeakPolarHBondContact OE2-CE1 3.41Å; E28-Y369 PolarHBondContact OE2-OH 3.31Å; F360-Y369 CarbonylContact C-O 3.52Å; F360-Y369 VanDerWaalsContact C-O 3.31Å; F360-Y369 WeakPolarHBondContact CA-O 3.29Å; F360-Y369 WeakPolarHBondContact CB-O 3.38Å; S361-Y369 PolarHBondContact N-O 3.36Å; S361-Y369 PolarHBondContact O-N 3.08Å; T363-Y369 HydrophobicContact CG2-CD2 3.96Å; T363-Y369 HydrophobicContact CG2-CE2 3.49Å; T363-Y369 VanDerWaalsContact CG2-CE2 3.49Å; L367-Y369 HydrophobicContact CB-CD2 4.23Å; L367-Y369 HydrophobicContact CB-CE2 3.51Å; L367-Y369 HydrophobicContact CD1-CE2 4.37Å; L367-Y369 HydrophobicContact CG-CE2 4.5Å |
| 370 | M | 84.5 | Confident | 75.6 | Confident | 7 Ų | 7 | 66.1 Ų | 66.1 | 3% | 0.034 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129 | 168.2 | -178.7 | -80.8 | -170.9 | 0 | 0 | 113.8 | G13 S14 I15 L337 T339 A348 A358 R359 F360 L382 | G13-M370 CarbonylContact C-O 3.55Å; G13-M370 CarbonylContact O-C 3.5Å; G13-M370 WeakPolarHBondContact O-CA 3.23Å; G13-M370 PolarHBondContact O-N 3.41Å; S14-M370 PolarHBondContact N-O 3.06Å; I15-M370 HydrophobicContact CB-CB 4.35Å; I15-M370 HydrophobicContact CD1-CB 3.82Å; I15-M370 HydrophobicContact CD1-CG 4.2Å; I15-M370 HydrophobicContact CD1-SD 4.35Å; I15-M370 HydrophobicContact CG1-CB 4.03Å; L337-M370 HydrophobicContact CD1-CE 3.21Å; L337-M370 HydrophobicContact CD2-CE 3.6Å; L337-M370 HydrophobicContact CG-CE 3.92Å; T339-M370 HydrophobicContact CG2-CE 3.8Å; T339-M370 HydrophobicContact CG2-SD 3.91Å; A348-M370 HydrophobicContact CB-CE 3.36Å; A348-M370 HydrophobicContact CB-CG 4.46Å; A348-M370 HydrophobicContact CB-SD 4.29Å; A358-M370 HydrophobicContact CB-CE 3.79Å; R359-M370 CarbonylContact O-C 3.54Å; R359-M370 WeakPolarHBondContact O-CA 3.35Å; F360-M370 HydrophobicContact CB-CB 4.06Å; F360-M370 HydrophobicContact CB-CG 4.36Å; M370-L382 HydrophobicContact CB-CD2 3.97Å; M370-L382 HydrophobicContact CG-CD2 3.99Å |
| 371 | A | 76.9 | Confident | 75.6 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 8% | 0.083 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 158 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G13 A358 R359 E373 | G13-A371 WeakPolarHBondContact O-CB 3.48Å; G13-A371 PolarHBondContact O-N 3.4Å; A358-A371 CarbonylContact C-O 3.59Å; A358-A371 VanDerWaalsContact CA-O 3.22Å; A358-A371 WeakPolarHBondContact CA-O 2.77Å; R359-A371 PolarHBondContact N-O 2.84Å; R359-A371 PolarHBondContact O-N 3.01Å; A371-E373 PolarHBondContact O-N 2.79Å |
| 372 | S | 68 | Low | 75.7 | Confident | 14 Ų | 14 | 60.4 Ų | 60.4 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -80 | 35.3 | 173 | 63 | 0 | 0 | 0 | 0 | 114.8 | M36 R39 P357 | M36-S372 WeakPolarHBondContact CE-OG 3.15Å; R39-S372 PolarHBondContact NH1-O 3.42Å; R39-S372 PolarHBondContact NH1-OG 3.1Å; P357-S372 WeakPolarHBondContact CB-O 3.36Å; P357-S372 WeakPolarHBondContact CG-O 3.3Å; P357-S372 WeakPolarHBondContact O-CA 3.48Å |
| 373 | E | 58 | Low | 75.9 | Confident | 79 Ų | 79 | 56.5 Ų | 56.5 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -136.5 | 89 | 177.2 | -69.1 | -166.8 | 173.6 | 0 | 0 | 110.9 | H38 R359 A371 | H38-E373 IonicContact CE1-OE1 3.16Å; H38-E373 IonicContact NE2-OE1 3.56Å; H38-E373 PolarHBondContact NE2-OE1 3.35Å; R359-E373 WeakPolarHBondContact CB-O 3.45Å; R359-E373 WeakPolarHBondContact CD-O 3.45Å; R359-E373 WeakPolarHBondContact CG-O 3.36Å; R359-E373 PolarHBondContact NE-O 2.78Å; R359-E373 PolarHBondContact NH1-O 2.71Å; A371-E373 PolarHBondContact O-N 2.79Å |
| 374 | G | 51.4 | Low | 76.1 | Confident | 23 Ų | 23 | 54.7 Ų | 54.7 | 24% | 0.237 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 122.6 | -142.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | P357 A358 R359 | P357-G374 CarbonylContact C-O 3.54Å; P357-G374 WeakPolarHBondContact CA-O 3.37Å; A358-G374 CarbonylContact C-O 3.16Å; A358-G374 PolarHBondContact N-O 2.87Å; A358-G374 CarbonylContact O-C 3.57Å; R359-G374 VanDerWaalsContact CG-CA 3.45Å |
| 375 | R | 56.9 | Low | 76.5 | Confident | 214 Ų | 214 | 46.6 Ų | 46.6 | 81% | 0.808 | 22% | 0.218 | S | C | * | . | B | Isolated β-bridge | trans | -121.5 | 95 | -148.8 | -147 | 177.7 | -169.3 | -169.6 | 4.1 | 119 | A358 | A358-R375 CarbonylContact O-C 3.33Å; A358-R375 WeakPolarHBondContact O-CA 3.21Å; A358-R375 PolarHBondContact O-N 2.92Å |
| 376 | L | 64.9 | Low | 76.8 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 10% | 0.099 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -79.3 | 151 | 140.2 | -93.7 | 129.9 | 0 | 0 | 0 | 107.4 | L350 A358 F360 R380 | L350-L376 HydrophobicContact CD1-CB 3.53Å; L350-L376 HydrophobicContact CG-CB 4.23Å; A358-L376 HydrophobicContact CB-CB 4.11Å; A358-L376 HydrophobicContact CB-CD1 3.52Å; A358-L376 HydrophobicContact CB-CG 4.43Å; A358-L376 PolarHBondContact O-N 3.38Å; F360-L376 HydrophobicContact CD1-CD1 4.35Å; F360-L376 HydrophobicContact CD1-CG 4.47Å; L376-R380 HydrophobicContact CD2-CB 3.74Å |
| 377 | R | 75.4 | Confident | 77.1 | Confident | 173 Ų | 173 | 39.4 Ų | 39.4 | 65% | 0.653 | 18% | 0.182 | S | C | * | . | P | Polyproline II helix | trans | -83.8 | 154.3 | 175.3 | -61.5 | -176.9 | -177 | -174.6 | 1.3 | 109.5 | G379 R380 | R377-G379 PolarHBondContact O-N 3.3Å; R377-R380 HydrophobicContact CB-CG 3.84Å; R377-R380 WeakPolarHBondContact O-CB 3.44Å; R377-R380 WeakPolarHBondContact O-CG 3.37Å; R377-R380 PolarHBondContact O-N 3.19Å; R377-R380 VanDerWaalsContact O-N 3.09Å |
| 378 | P | 72.6 | Confident | 77.3 | Confident | 63 Ų | 63 | 46.6 Ų | 46.6 | 41% | 0.409 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.1 | 133.7 | 178.1 | -28.6 | 34.5 | 0 | 0 | 0 | 112.5 | R352 N353 R380 | R352-P378 WeakPolarHBondContact O-CB 3.4Å; N353-P378 WeakPolarHBondContact O-CG 3.3Å; P378-R380 PolarHBondContact O-N 3.5Å; P378-R380 VanDerWaalsContact O-N 3.13Å |
| 379 | G | 68.4 | Low | 77.2 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 6.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | E306 L350 D351 R377 K398 | E306-G379 WeakPolarHBondContact CG-O 3.45Å; L350-G379 WeakPolarHBondContact O-CA 3.42Å; D351-G379 PolarHBondContact O-N 2.97Å; R377-G379 PolarHBondContact O-N 3.3Å; G379-K398 PolarHBondContact O-NZ 3.22Å |
| 380 | R | 78.6 | Confident | 77.3 | Confident | 69 Ų | 69 | 56.7 Ų | 56.7 | 26% | 0.26 | 25% | 0.251 | S | S | . | . | trans | -77.9 | 145.1 | 174.9 | -67.8 | -69.4 | -177.6 | 152.7 | 2.7 | 111.4 | L376 R377 P378 D394 | L376-R380 HydrophobicContact CD2-CB 3.74Å; R377-R380 HydrophobicContact CB-CG 3.84Å; R377-R380 WeakPolarHBondContact O-CB 3.44Å; R377-R380 WeakPolarHBondContact O-CG 3.37Å; R377-R380 PolarHBondContact O-N 3.19Å; R377-R380 VanDerWaalsContact O-N 3.09Å; P378-R380 PolarHBondContact O-N 3.5Å; P378-R380 VanDerWaalsContact O-N 3.13Å; R380-D394 WeakPolarHBondContact CD-OD2 3.27Å; R380-D394 IonicContact CZ-OD2 3.61Å; R380-D394 IonicContact NE-OD2 2.63Å; R380-D394 IonicContact NH1-OD2 3.59Å; R380-D394 PolarHBondContact NH1-OD2 3.32Å | ||
| 381 | M | 84.4 | Confident | 77.3 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 136.3 | 176.6 | -174.3 | -179.1 | -69.9 | 0 | 0 | 111 | P297 A300 M301 F340 A348 I349 D394 L397 | P297-M381 HydrophobicContact CB-CE 4.32Å; P297-M381 HydrophobicContact CB-SD 3.89Å; A300-M381 HydrophobicContact CB-CE 3.9Å; M301-M381 HydrophobicContact CG-CE 3.75Å; F340-M381 HydrophobicContact CZ-CE 4.05Å; F340-M381 HydrophobicContact CZ-CG 4.13Å; F340-M381 HydrophobicContact CZ-SD 3.97Å; A348-M381 CarbonylContact O-C 3.56Å; A348-M381 VanDerWaalsContact O-CA 3.24Å; A348-M381 WeakPolarHBondContact O-CA 3.28Å; A348-M381 WeakPolarHBondContact O-CG 3.45Å; I349-M381 HydrophobicContact CB-CE 4.43Å; I349-M381 HydrophobicContact CD1-CE 3.89Å; M381-D394 PolarHBondContact N-OD1 3.44Å; M381-D394 WeakPolarHBondContact O-CB 3.35Å; M381-L397 HydrophobicContact SD-CD2 3.54Å; M381-L397 VanDerWaalsContact SD-CD2 3.54Å |
| 382 | L | 87.3 | Confident | 77.7 | Confident | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.2 | 163.7 | -173.1 | 73.1 | 0 | 0 | 0 | 107.3 | G347 A348 F360 M370 L391 | G347-L382 CarbonylContact C-O 3.59Å; G347-L382 WeakPolarHBondContact CA-O 3.4Å; A348-L382 HydrophobicContact CB-CB 4.46Å; A348-L382 PolarHBondContact N-O 3.12Å; A348-L382 PolarHBondContact O-N 2.93Å; F360-L382 HydrophobicContact CB-CD2 3.79Å; F360-L382 HydrophobicContact CD1-CD1 4.07Å; F360-L382 HydrophobicContact CD1-CD2 4.27Å; F360-L382 HydrophobicContact CD2-CD1 4.01Å; F360-L382 HydrophobicContact CD2-CD2 4.43Å; F360-L382 HydrophobicContact CE1-CD1 4.13Å; F360-L382 HydrophobicContact CE2-CD1 4.07Å; F360-L382 HydrophobicContact CG-CD1 4.01Å; F360-L382 HydrophobicContact CG-CD2 3.91Å; F360-L382 HydrophobicContact CZ-CD1 4.13Å; M370-L382 HydrophobicContact CB-CD2 3.97Å; M370-L382 HydrophobicContact CG-CD2 3.99Å; L382-L391 HydrophobicContact CD1-CD1 3.69Å; L382-L391 HydrophobicContact CG-CD1 4.33Å |
| 383 | L | 89.4 | Confident | 78.4 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 129.7 | 179.3 | -175.4 | 75.1 | 0 | 0 | 0 | 110.9 | P297 F340 Y345 L391 V392 L397 | P297-L383 HydrophobicContact CB-CD2 4.3Å; P297-L383 HydrophobicContact CG-CD1 3.86Å; P297-L383 HydrophobicContact CG-CD2 3.52Å; P297-L383 HydrophobicContact CG-CG 4.36Å; F340-L383 HydrophobicContact CE2-CD1 3.91Å; Y345-L383 HydrophobicContact CD1-CD1 3.95Å; Y345-L383 HydrophobicContact CD1-CD2 3.9Å; Y345-L383 HydrophobicContact CD1-CG 4.04Å; Y345-L383 HydrophobicContact CE1-CD2 4.14Å; Y345-L383 HydrophobicContact CG-CD1 4.28Å; L383-L391 WeakPolarHBondContact O-CD1 3.36Å; L383-V392 HydrophobicContact CB-CB 4.26Å; L383-V392 HydrophobicContact CD2-CB 4.26Å; L383-V392 HydrophobicContact CD2-CG2 4.07Å; L383-V392 HydrophobicContact CG-CG2 4.36Å; L383-V392 PolarHBondContact O-N 3.05Å; L383-L397 HydrophobicContact CB-CD2 4.02Å; L383-L397 HydrophobicContact CD2-CD1 3.94Å; L383-L397 HydrophobicContact CD2-CD2 3.5Å; L383-L397 VanDerWaalsContact CD2-CD2 3.5Å; L383-L397 HydrophobicContact CD2-CG 4.36Å; L383-L397 HydrophobicContact CG-CD2 4.37Å |
| 384 | V | 90 | Very high | 79.7 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.7 | 172.2 | -159 | 0 | 0 | 0 | 0 | 109.1 | I15 L17 Y345 I346 I368 L391 | I15-V384 HydrophobicContact CG2-CG2 4.3Å; L17-V384 HydrophobicContact CD1-CB 3.57Å; L17-V384 HydrophobicContact CD1-CG1 3.32Å; L17-V384 HydrophobicContact CD1-CG2 4.21Å; Y345-V384 WeakPolarHBondContact CA-O 3.48Å; I346-V384 HydrophobicContact CG2-CB 4.16Å; I346-V384 PolarHBondContact N-O 2.93Å; I346-V384 PolarHBondContact O-N 3.48Å; I368-V384 HydrophobicContact CD1-CB 4.47Å; I368-V384 HydrophobicContact CD1-CG1 3.98Å; I368-V384 HydrophobicContact CD1-CG2 3.58Å; V384-L391 HydrophobicContact CG2-CD1 4.16Å |
| 385 | D | 90 | Very high | 81.4 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.011 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 110.3 | 171.8 | -171.2 | -31.9 | 0 | 0 | 0 | 108.2 | R344 Y345 E387 R388 R389 I390 V392 | R344-D385 IonicContact CZ-OD1 3.34Å; R344-D385 IonicContact CZ-OD2 3.98Å; R344-D385 IonicContact NE-OD1 3.58Å; R344-D385 PolarHBondContact NE-OD1 3.47Å; R344-D385 VanDerWaalsContact NE-OD1 3.12Å; R344-D385 IonicContact NE-OD2 3.5Å; R344-D385 IonicContact NH2-OD1 3.35Å; R344-D385 IonicContact NH2-OD2 3.54Å; R344-D385 PolarHBondContact NH2-OD2 3.29Å; Y345-D385 HydrophobicContact CD1-CB 4.13Å; Y345-D385 HydrophobicContact CE1-CB 3.67Å; Y345-D385 VanDerWaalsContact CE1-CG 3.49Å; Y345-D385 VanDerWaalsContact CE1-OD2 3.31Å; Y345-D385 WeakPolarHBondContact CE1-OD2 3.33Å; Y345-D385 PolarHBondContact OH-OD2 2.85Å; Y345-D385 VanDerWaalsContact OH-OD2 3.08Å; D385-E387 PolarHBondContact OD1-N 3.01Å; D385-E387 VanDerWaalsContact OD1-N 3.15Å; D385-R388 HydrophobicContact CB-CB 4.09Å; D385-R388 PolarHBondContact OD1-N 3.36Å; D385-R388 WeakPolarHBondContact OD2-CD 3.34Å; D385-R388 WeakPolarHBondContact OD2-CG 3.29Å; D385-R388 IonicContact OD2-NE 2.86Å; D385-R389 VanDerWaalsContact O-CA 3.32Å; D385-R389 WeakPolarHBondContact O-CA 3.4Å; D385-R389 PolarHBondContact O-N 3.1Å; D385-I390 HydrophobicContact CB-CG1 4.2Å; D385-I390 PolarHBondContact N-O 3.01Å; D385-I390 PolarHBondContact O-N 3.3Å; D385-V392 HydrophobicContact CB-CG2 4.35Å |
| 386 | T | 86.8 | Confident | 82.9 | Confident | 12 Ų | 12 | 65.7 Ų | 65.7 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -26.1 | -174.3 | 67.3 | 0 | 0 | 0 | 0 | 113.2 | L17 F19 I208 R344 | L17-T386 HydrophobicContact CD1-CG2 3.4Å; L17-T386 HydrophobicContact CD2-CG2 3.19Å; L17-T386 HydrophobicContact CG-CG2 3.84Å; F19-T386 WeakPolarHBondContact CE1-O 3.35Å; F19-T386 WeakPolarHBondContact CZ-O 3.44Å; I208-T386 HydrophobicContact CD1-CG2 3.56Å; I208-T386 HydrophobicContact CG1-CG2 3.86Å; R344-T386 WeakPolarHBondContact CA-OG1 3.32Å; R344-T386 WeakPolarHBondContact O-CB 3.41Å; R344-T386 WeakPolarHBondContact O-CG2 3.42Å; R344-T386 PolarHBondContact O-N 3.44Å; R344-T386 PolarHBondContact O-OG1 3.19Å |
| 387 | E | 85.5 | Confident | 84 | Confident | 83 Ų | 83 | 65.5 Ų | 65.5 | 39% | 0.388 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -46.8 | 174.8 | -75.8 | -174.1 | 165.1 | 0 | 0 | 110.6 | R78 R344 D385 R389 | R78-E387 IonicContact CZ-OE1 3.97Å; R78-E387 IonicContact NH1-OE1 3.34Å; R78-E387 IonicContact NH2-OE1 2.66Å; R78-E387 PolarHBondContact NH2-OE1 3.39Å; R344-E387 VanDerWaalsContact CD-OE2 3.24Å; R344-E387 WeakPolarHBondContact CD-OE2 3.38Å; R344-E387 HydrophobicContact CG-CB 4.37Å; R344-E387 HydrophobicContact CG-CG 4Å; R344-E387 IonicContact CZ-OE2 3.97Å; R344-E387 IonicContact NE-OE2 2.69Å; R344-E387 PolarHBondContact NE-OE2 2.9Å; R344-E387 VanDerWaalsContact NE-OE2 3.15Å; R344-E387 IonicContact NH1-OE2 3.33Å; R344-E387 PolarHBondContact NH1-OE2 3.13Å; D385-E387 PolarHBondContact OD1-N 3.01Å; D385-E387 VanDerWaalsContact OD1-N 3.15Å; E387-R389 VanDerWaalsContact C-N 3.31Å |
| 388 | R | 84.4 | Confident | 84.8 | Confident | 152 Ų | 152 | 57.3 Ų | 57.3 | 57% | 0.574 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -15.3 | 178.5 | -65.7 | -176 | 178.5 | 173.8 | 0.3 | 113.7 | D385 I390 | D385-R388 HydrophobicContact CB-CB 4.09Å; D385-R388 PolarHBondContact OD1-N 3.36Å; D385-R388 WeakPolarHBondContact OD2-CD 3.34Å; D385-R388 WeakPolarHBondContact OD2-CG 3.29Å; D385-R388 IonicContact OD2-NE 2.86Å; R388-I390 HydrophobicContact CB-CD1 4.24Å; R388-I390 HydrophobicContact CB-CG1 3.91Å; R388-I390 PolarHBondContact O-N 3.47Å |
| 389 | R | 83.8 | Confident | 85.8 | Confident | 163 Ų | 163 | 56.5 Ų | 56.5 | 62% | 0.615 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 40.2 | -179.5 | -40.3 | -166.4 | 174.2 | 179.6 | -6 | 113.4 | F19 D385 E387 | F19-R389 HydrophobicContact CD1-CG 4.34Å; F19-R389 VanDerWaalsContact CD1-CZ 3.46Å; F19-R389 VanDerWaalsContact CD1-NE 3.34Å; F19-R389 HydrophobicContact CE1-CB 4.43Å; F19-R389 VanDerWaalsContact CE1-CD 3.47Å; F19-R389 HydrophobicContact CE1-CG 3.59Å; F19-R389 VanDerWaalsContact CE1-NE 3.26Å; F19-R389 HydrophobicContact CE2-CB 3.75Å; F19-R389 HydrophobicContact CE2-CG 3.82Å; F19-R389 HydrophobicContact CZ-CB 3.68Å; F19-R389 HydrophobicContact CZ-CG 3.3Å; D385-R389 VanDerWaalsContact O-CA 3.32Å; D385-R389 WeakPolarHBondContact O-CA 3.4Å; D385-R389 PolarHBondContact O-N 3.1Å; E387-R389 VanDerWaalsContact C-N 3.31Å |
| 390 | I | 86 | Confident | 87 | Confident | 81 Ų | 81 | 61.5 Ų | 61.5 | 42% | 0.415 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 145.1 | -178.3 | 60.5 | 172.1 | 0 | 0 | 0 | 111.7 | D385 R388 V392 | D385-I390 HydrophobicContact CB-CG1 4.2Å; D385-I390 PolarHBondContact N-O 3.01Å; D385-I390 PolarHBondContact O-N 3.3Å; R388-I390 HydrophobicContact CB-CD1 4.24Å; R388-I390 HydrophobicContact CB-CG1 3.91Å; R388-I390 PolarHBondContact O-N 3.47Å; I390-V392 HydrophobicContact CD1-CG2 4.28Å; I390-V392 HydrophobicContact CG1-CG2 4.2Å |
| 391 | L | 85.4 | Confident | 87.7 | Confident | 65 Ų | 65 | 58.5 Ų | 58.5 | 34% | 0.34 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 113.4 | 160.7 | 178 | 61.5 | 0 | 0 | 0 | 108.6 | I362 I368 L382 L383 V384 | I362-L391 HydrophobicContact CD1-CD2 3.42Å; I362-L391 VanDerWaalsContact CD1-CD2 3.42Å; I368-L391 HydrophobicContact CD1-CB 4.28Å; I368-L391 HydrophobicContact CD1-CD1 4.11Å; L382-L391 HydrophobicContact CD1-CD1 3.69Å; L382-L391 HydrophobicContact CG-CD1 4.33Å; L383-L391 WeakPolarHBondContact O-CD1 3.36Å; V384-L391 HydrophobicContact CG2-CD1 4.16Å |
| 392 | V | 84.2 | Confident | 88.1 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 128.4 | -178.1 | -164.7 | 0 | 0 | 0 | 0 | 109.5 | L383 D385 I390 D394 L397 | L383-V392 HydrophobicContact CB-CB 4.26Å; L383-V392 HydrophobicContact CD2-CB 4.26Å; L383-V392 HydrophobicContact CD2-CG2 4.07Å; L383-V392 HydrophobicContact CG-CG2 4.36Å; L383-V392 PolarHBondContact O-N 3.05Å; D385-V392 HydrophobicContact CB-CG2 4.35Å; I390-V392 HydrophobicContact CD1-CG2 4.28Å; I390-V392 HydrophobicContact CG1-CG2 4.2Å; V392-D394 PolarHBondContact O-N 3.24Å; V392-L397 HydrophobicContact CG1-CB 3.78Å; V392-L397 HydrophobicContact CG1-CD1 4.22Å; V392-L397 HydrophobicContact CG1-CG 4.4Å |
| 393 | R | 83.1 | Confident | 88.5 | Confident | 193 Ų | 193 | 64.8 Ų | 64.8 | 73% | 0.728 | 28% | 0.284 | S | S | * | . | trans | -72.5 | 125.4 | 177.1 | -66.5 | -178.6 | -179.9 | 178.6 | 1.5 | 110.2 | Q395 Q396 L397 | R393-Q395 PolarHBondContact O-N 3.44Å; R393-Q396 HydrophobicContact CB-CB 4.17Å; R393-Q396 PolarHBondContact O-N 3.01Å; R393-L397 PolarHBondContact O-N 3.33Å | ||
| 394 | D | 85.4 | Confident | 88.7 | Confident | 16 Ų | 16 | 69.6 Ų | 69.6 | 9% | 0.086 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -42.2 | -53.8 | 178.4 | 171.9 | 77.7 | 0 | 0 | 0 | 114.1 | R380 M381 V392 Q396 L397 K398 | R380-D394 WeakPolarHBondContact CD-OD2 3.27Å; R380-D394 IonicContact CZ-OD2 3.61Å; R380-D394 IonicContact NE-OD2 2.63Å; R380-D394 IonicContact NH1-OD2 3.59Å; R380-D394 PolarHBondContact NH1-OD2 3.32Å; M381-D394 PolarHBondContact N-OD1 3.44Å; M381-D394 WeakPolarHBondContact O-CB 3.35Å; V392-D394 PolarHBondContact O-N 3.24Å; D394-Q396 VanDerWaalsContact C-N 3.34Å; D394-Q396 PolarHBondContact O-N 2.99Å; D394-L397 PolarHBondContact O-N 3.19Å; D394-K398 WeakPolarHBondContact O-CB 3.36Å; D394-K398 VanDerWaalsContact O-CG 3.28Å; D394-K398 WeakPolarHBondContact O-CG 3.44Å; D394-K398 PolarHBondContact O-N 3.36Å; D394-K398 WeakPolarHBondContact OD1-CD 3.45Å; D394-K398 WeakPolarHBondContact OD1-CE 3.41Å; D394-K398 IonicContact OD1-NZ 3.91Å; D394-K398 PolarHBondContact OD1-NZ 2.95Å; D394-K398 IonicContact OD2-NZ 3.05Å |
| 395 | Q | 86.4 | Confident | 88.9 | Confident | 123 Ų | 123 | 71.4 Ų | 71.4 | 58% | 0.575 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.3 | -39.6 | -177.6 | -72.4 | -178.5 | -25.5 | 0 | 0 | 112.4 | R393 L399 | R393-Q395 PolarHBondContact O-N 3.44Å; Q395-L399 WeakPolarHBondContact O-CB 3.21Å; Q395-L399 PolarHBondContact O-N 3Å |
| 396 | Q | 88.2 | Confident | 89.1 | Confident | 118 Ų | 118 | 74.9 Ų | 74.9 | 55% | 0.551 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -69.5 | -46.9 | -178.5 | -176.7 | 176.5 | -4.9 | 0 | 0 | 110.5 | R393 D394 K398 L399 E400 | R393-Q396 HydrophobicContact CB-CB 4.17Å; R393-Q396 PolarHBondContact O-N 3.01Å; D394-Q396 VanDerWaalsContact C-N 3.34Å; D394-Q396 PolarHBondContact O-N 2.99Å; Q396-K398 PolarHBondContact O-N 3.48Å; Q396-L399 PolarHBondContact O-N 2.99Å; Q396-E400 WeakPolarHBondContact O-CB 3.39Å; Q396-E400 PolarHBondContact O-N 3.26Å |
| 397 | L | 89.4 | Confident | 89.5 | Confident | 15 Ų | 15 | 74.5 Ų | 74.5 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.3 | -51 | 176.9 | 176.7 | 65.1 | 0 | 0 | 0 | 111.7 | P297 M381 L383 V392 R393 D394 L399 E400 I401 | P297-L397 HydrophobicContact CB-CD1 4.39Å; P297-L397 HydrophobicContact CB-CD2 4.09Å; M381-L397 HydrophobicContact SD-CD2 3.54Å; M381-L397 VanDerWaalsContact SD-CD2 3.54Å; L383-L397 HydrophobicContact CB-CD2 4.02Å; L383-L397 HydrophobicContact CD2-CD1 3.94Å; L383-L397 HydrophobicContact CD2-CD2 3.5Å; L383-L397 VanDerWaalsContact CD2-CD2 3.5Å; L383-L397 HydrophobicContact CD2-CG 4.36Å; L383-L397 HydrophobicContact CG-CD2 4.37Å; V392-L397 HydrophobicContact CG1-CB 3.78Å; V392-L397 HydrophobicContact CG1-CD1 4.22Å; V392-L397 HydrophobicContact CG1-CG 4.4Å; R393-L397 PolarHBondContact O-N 3.33Å; D394-L397 PolarHBondContact O-N 3.19Å; L397-L399 VanDerWaalsContact C-N 3.28Å; L397-L399 PolarHBondContact O-N 2.99Å; L397-E400 WeakPolarHBondContact O-CB 3.44Å; L397-E400 PolarHBondContact O-N 3.27Å; L397-I401 HydrophobicContact CD1-CD1 3.86Å; L397-I401 HydrophobicContact CD1-CG1 4.43Å; L397-I401 HydrophobicContact CG-CD1 3.96Å; L397-I401 WeakPolarHBondContact O-CG1 3.14Å; L397-I401 PolarHBondContact O-N 3.05Å |
| 398 | K | 91.5 | Very high | 90 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.9 | -38.3 | -179.1 | -71.9 | 178.6 | 167.7 | 164.1 | 0 | 111.6 | M301 E306 G379 D394 Q396 S402 | M301-K398 HydrophobicContact CE-CB 3.94Å; M301-K398 HydrophobicContact CE-CD 4.43Å; M301-K398 HydrophobicContact CE-CG 3.68Å; M301-K398 HydrophobicContact SD-CB 4.41Å; M301-K398 HydrophobicContact SD-CG 3.72Å; E306-K398 VanDerWaalsContact OE1-CD 3.23Å; E306-K398 WeakPolarHBondContact OE1-CD 3.5Å; E306-K398 WeakPolarHBondContact OE1-CE 3.49Å; E306-K398 IonicContact OE1-NZ 3.55Å; E306-K398 PolarHBondContact OE1-NZ 3.43Å; G379-K398 PolarHBondContact O-NZ 3.22Å; D394-K398 WeakPolarHBondContact O-CB 3.36Å; D394-K398 VanDerWaalsContact O-CG 3.28Å; D394-K398 WeakPolarHBondContact O-CG 3.44Å; D394-K398 PolarHBondContact O-N 3.36Å; D394-K398 WeakPolarHBondContact OD1-CD 3.45Å; D394-K398 WeakPolarHBondContact OD1-CE 3.41Å; D394-K398 IonicContact OD1-NZ 3.91Å; D394-K398 PolarHBondContact OD1-NZ 2.95Å; D394-K398 IonicContact OD2-NZ 3.05Å; Q396-K398 PolarHBondContact O-N 3.48Å; K398-S402 VanDerWaalsContact O-CB 3.22Å; K398-S402 WeakPolarHBondContact O-CB 3.41Å; K398-S402 PolarHBondContact O-N 3.16Å; K398-S402 PolarHBondContact O-OG 3.1Å |
| 399 | L | 92.8 | Very high | 90.5 | Very high | 47 Ų | 47 | 75.2 Ų | 75.2 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.7 | -39.8 | 177.3 | -165.4 | 73.9 | 0 | 0 | 0 | 111.8 | D315 D317 Q395 Q396 L397 S402 R403 | D315-L399 VanDerWaalsContact OD2-CD1 3.29Å; D315-L399 WeakPolarHBondContact OD2-CD1 3.26Å; D317-L399 HydrophobicContact CB-CD1 4.42Å; Q395-L399 WeakPolarHBondContact O-CB 3.21Å; Q395-L399 PolarHBondContact O-N 3Å; Q396-L399 PolarHBondContact O-N 2.99Å; L397-L399 VanDerWaalsContact C-N 3.28Å; L397-L399 PolarHBondContact O-N 2.99Å; L399-S402 PolarHBondContact O-N 3.05Å; L399-R403 WeakPolarHBondContact O-CB 3.5Å; L399-R403 VanDerWaalsContact O-CG 3.27Å; L399-R403 WeakPolarHBondContact O-CG 3.42Å; L399-R403 PolarHBondContact O-N 3.43Å; L399-R403 VanDerWaalsContact O-N 3.08Å |
| 400 | E | 93.7 | Very high | 91.1 | Very high | 105 Ų | 105 | 69.7 Ų | 69.7 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.9 | -51.7 | 174.4 | -174.9 | 176.3 | 173.1 | 0 | 0 | 110.7 | Q396 L397 S402 R403 L404 | Q396-E400 WeakPolarHBondContact O-CB 3.39Å; Q396-E400 PolarHBondContact O-N 3.26Å; L397-E400 WeakPolarHBondContact O-CB 3.44Å; L397-E400 PolarHBondContact O-N 3.27Å; E400-S402 VanDerWaalsContact C-N 3.33Å; E400-S402 PolarHBondContact O-N 3.19Å; E400-R403 PolarHBondContact O-N 3.43Å; E400-R403 VanDerWaalsContact O-N 3.08Å; E400-L404 PolarHBondContact O-N 3.13Å |
| 401 | I | 93.6 | Very high | 91.6 | Very high | 7 Ų | 7 | 66.7 Ų | 66.7 | 4% | 0.036 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 176.9 | -67.7 | 168.2 | 0 | 0 | 0 | 111.1 | P297 E298 M301 F321 L397 R403 L404 | P297-I401 HydrophobicContact CB-CD1 3.91Å; E298-I401 HydrophobicContact CB-CD1 4.38Å; E298-I401 HydrophobicContact CB-CG2 3.99Å; E298-I401 HydrophobicContact CG-CG2 3.88Å; M301-I401 HydrophobicContact CE-CG2 4.3Å; M301-I401 HydrophobicContact SD-CB 4.38Å; M301-I401 HydrophobicContact SD-CD1 3.62Å; M301-I401 HydrophobicContact SD-CG2 4.26Å; F321-I401 HydrophobicContact CD2-CG2 4.22Å; F321-I401 HydrophobicContact CE2-CG2 3.72Å; F321-I401 HydrophobicContact CZ-CG2 4.21Å; L397-I401 HydrophobicContact CD1-CD1 3.86Å; L397-I401 HydrophobicContact CD1-CG1 4.43Å; L397-I401 HydrophobicContact CG-CD1 3.96Å; L397-I401 WeakPolarHBondContact O-CG1 3.14Å; L397-I401 PolarHBondContact O-N 3.05Å; I401-R403 PolarHBondContact O-N 3.17Å; I401-L404 HydrophobicContact CG2-CD1 4.45Å; I401-L404 WeakPolarHBondContact O-CB 3.39Å; I401-L404 WeakPolarHBondContact O-CG 3.36Å; I401-L404 PolarHBondContact O-N 2.78Å |
| 402 | S | 94 | Very high | 92 | Very high | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.4 | -21.5 | 179.5 | -58.5 | 0 | 0 | 0 | 0 | 113.3 | R318 F321 K398 L399 E400 | R318-S402 WeakPolarHBondContact CA-OG 3.47Å; F321-S402 WeakPolarHBondContact CB-OG 3.38Å; K398-S402 VanDerWaalsContact O-CB 3.22Å; K398-S402 WeakPolarHBondContact O-CB 3.41Å; K398-S402 PolarHBondContact O-N 3.16Å; K398-S402 PolarHBondContact O-OG 3.1Å; L399-S402 PolarHBondContact O-N 3.05Å; E400-S402 VanDerWaalsContact C-N 3.33Å; E400-S402 PolarHBondContact O-N 3.19Å |
| 403 | R | 95 | Very high | 92.4 | Very high | 144 Ų | 144 | 74.7 Ų | 74.7 | 54% | 0.543 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -99.7 | -5 | -179.5 | -73.7 | 177.1 | 175 | 171.6 | 2.7 | 114.2 | D317 L399 E400 I401 R405 | D317-R403 HydrophobicContact CB-CG 4.36Å; D317-R403 IonicContact OD2-CZ 2.96Å; D317-R403 IonicContact OD2-NE 2.65Å; D317-R403 PolarHBondContact OD2-NE 2.72Å; D317-R403 IonicContact OD2-NH2 3.28Å; D317-R403 PolarHBondContact OD2-NH2 2.88Å; L399-R403 WeakPolarHBondContact O-CB 3.5Å; L399-R403 VanDerWaalsContact O-CG 3.27Å; L399-R403 WeakPolarHBondContact O-CG 3.42Å; L399-R403 PolarHBondContact O-N 3.43Å; L399-R403 VanDerWaalsContact O-N 3.08Å; E400-R403 PolarHBondContact O-N 3.43Å; E400-R403 VanDerWaalsContact O-N 3.08Å; I401-R403 PolarHBondContact O-N 3.17Å; R403-R405 PolarHBondContact O-N 2.79Å; R403-R405 VanDerWaalsContact O-N 3.08Å |
| 404 | L | 93.7 | Very high | 93 | Very high | 102 Ų | 102 | 67.4 Ų | 67.4 | 53% | 0.534 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -55.7 | -27.5 | 174.4 | -70.7 | 173.6 | 0 | 0 | 0 | 112.3 | E400 I401 | E400-L404 PolarHBondContact O-N 3.13Å; I401-L404 HydrophobicContact CG2-CD1 4.45Å; I401-L404 WeakPolarHBondContact O-CB 3.39Å; I401-L404 WeakPolarHBondContact O-CG 3.36Å; I401-L404 PolarHBondContact O-N 2.78Å |
| 405 | R | 93.8 | Very high | 93.4 | Very high | 47 Ų | 47 | 68.3 Ų | 68.3 | 18% | 0.177 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -136.4 | 150.1 | -174.5 | -54.3 | 178.2 | -163.1 | 104.3 | 6.3 | 109.9 | E298 R403 L407 W410 P542 | E298-R405 IonicContact OE1-CZ 2.86Å; E298-R405 IonicContact OE1-NH1 2.99Å; E298-R405 PolarHBondContact OE1-NH1 2.91Å; E298-R405 IonicContact OE1-NH2 3.21Å; E298-R405 PolarHBondContact OE1-NH2 2.95Å; E298-R405 IonicContact OE2-NH2 3.73Å; E298-R405 PolarHBondContact OE2-NH2 3.06Å; R403-R405 PolarHBondContact O-N 2.79Å; R403-R405 VanDerWaalsContact O-N 3.08Å; R405-L407 HydrophobicContact CB-CD2 3.78Å; R405-L407 HydrophobicContact CB-CG 4.04Å; R405-L407 PolarHBondContact O-N 2.97Å; R405-W410 HydrophobicContact CB-CH2 3.95Å; R405-W410 HydrophobicContact CB-CZ2 4.38Å; R405-W410 HydrophobicContact CB-CZ3 4.19Å; R405-W410 HydrophobicContact CG-CH2 4.22Å; R405-P542 VanDerWaalsContact CZ-CG 3.48Å; R405-P542 VanDerWaalsContact NE-CB 3.32Å |
| 406 | P | 95 | Very high | 93.8 | Very high | 74 Ų | 74 | 62.5 Ų | 62.5 | 48% | 0.481 | 29% | 0.291 | S | S | . | . | trans | -79.5 | 58.1 | 179.8 | 33.5 | -35.3 | 0 | 0 | 0 | 111.7 | R408 K409 W410 | P406-R408 VanDerWaalsContact C-N 3.28Å; P406-R408 PolarHBondContact O-N 3.05Å; P406-K409 HydrophobicContact CB-CB 4.32Å; P406-K409 WeakPolarHBondContact O-CB 3.47Å; P406-K409 PolarHBondContact O-N 2.82Å; P406-W410 HydrophobicContact CG-CZ2 4.38Å; P406-W410 PolarHBondContact O-N 3.44Å; P406-W410 VanDerWaalsContact O-N 3.15Å | ||
| 407 | L | 95.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.5 | -36.8 | -169.8 | -60.8 | 178.4 | 0 | 0 | 0 | 112.9 | A320 F321 W324 R405 K409 W410 L411 | A320-L407 HydrophobicContact CB-CB 4.25Å; F321-L407 HydrophobicContact CB-CD1 3.92Å; F321-L407 HydrophobicContact CD2-CD1 3.85Å; F321-L407 HydrophobicContact CG-CD1 4.34Å; W324-L407 HydrophobicContact CB-CD1 4.44Å; W324-L407 HydrophobicContact CB-CD2 4.14Å; W324-L407 HydrophobicContact CD2-CD2 3.9Å; W324-L407 HydrophobicContact CE3-CD1 4.32Å; W324-L407 HydrophobicContact CE3-CD2 4.36Å; W324-L407 HydrophobicContact CG-CD2 3.77Å; R405-L407 HydrophobicContact CB-CD2 3.78Å; R405-L407 HydrophobicContact CB-CG 4.04Å; R405-L407 PolarHBondContact O-N 2.97Å; L407-K409 VanDerWaalsContact C-N 3.3Å; L407-K409 PolarHBondContact O-N 3.27Å; L407-W410 HydrophobicContact CD2-CD2 4.44Å; L407-W410 HydrophobicContact CD2-CE3 3.6Å; L407-W410 HydrophobicContact CD2-CZ3 3.78Å; L407-W410 PolarHBondContact O-N 3.39Å; L407-L411 WeakPolarHBondContact O-CB 3.14Å; L407-L411 WeakPolarHBondContact O-CG 3.42Å; L407-L411 PolarHBondContact O-N 2.98Å |
| 408 | R | 95 | Very high | 94.3 | Very high | 96 Ų | 96 | 59.2 Ų | 59.2 | 36% | 0.362 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.4 | -37.1 | 175.6 | -70.1 | 175.4 | 63.6 | -172 | 0.9 | 112.9 | D317 A320 P406 R412 | D317-R408 WeakPolarHBondContact OD1-CD 3.36Å; D317-R408 IonicContact OD1-NH1 3.81Å; D317-R408 PolarHBondContact OD1-NH1 3.12Å; A320-R408 HydrophobicContact CB-CB 4.5Å; A320-R408 HydrophobicContact CB-CG 3.43Å; A320-R408 VanDerWaalsContact CB-CG 3.43Å; P406-R408 VanDerWaalsContact C-N 3.28Å; P406-R408 PolarHBondContact O-N 3.05Å; R408-R412 WeakPolarHBondContact O-CB 3.38Å; R408-R412 WeakPolarHBondContact O-CG 3.46Å; R408-R412 PolarHBondContact O-N 3.06Å |
| 409 | K | 96.1 | Very high | 94.4 | Very high | 155 Ų | 155 | 65.3 Ų | 65.3 | 67% | 0.674 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -70.1 | -44.7 | 176.4 | -175.4 | -179 | 176.9 | -178.2 | 0 | 109.9 | P406 L407 A413 | P406-K409 HydrophobicContact CB-CB 4.32Å; P406-K409 WeakPolarHBondContact O-CB 3.47Å; P406-K409 PolarHBondContact O-N 2.82Å; L407-K409 VanDerWaalsContact C-N 3.3Å; L407-K409 PolarHBondContact O-N 3.27Å; K409-A413 WeakPolarHBondContact O-CB 3.4Å; K409-A413 PolarHBondContact O-N 3.38Å; K409-A413 VanDerWaalsContact O-N 3.09Å |
| 410 | W | 96.2 | Very high | 94.5 | Very high | 47 Ų | 47 | 65 Ų | 65 | 18% | 0.178 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.6 | -51.1 | 178.4 | -64.3 | -5.1 | 0 | 0 | 0 | 111.7 | R405 P406 L407 R412 A413 E414 A544 | R405-W410 HydrophobicContact CB-CH2 3.95Å; R405-W410 HydrophobicContact CB-CZ2 4.38Å; R405-W410 HydrophobicContact CB-CZ3 4.19Å; R405-W410 HydrophobicContact CG-CH2 4.22Å; P406-W410 HydrophobicContact CG-CZ2 4.38Å; P406-W410 PolarHBondContact O-N 3.44Å; P406-W410 VanDerWaalsContact O-N 3.15Å; L407-W410 HydrophobicContact CD2-CD2 4.44Å; L407-W410 HydrophobicContact CD2-CE3 3.6Å; L407-W410 HydrophobicContact CD2-CZ3 3.78Å; L407-W410 PolarHBondContact O-N 3.39Å; W410-R412 PolarHBondContact O-N 3.02Å; W410-A413 PolarHBondContact O-N 3.38Å; W410-E414 WeakPolarHBondContact O-CB 3.3Å; W410-E414 PolarHBondContact O-N 2.86Å; W410-A544 HydrophobicContact CB-CB 4.11Å; W410-A544 HydrophobicContact CD2-CB 3.99Å; W410-A544 HydrophobicContact CG-CB 3.71Å |
| 411 | L | 94.7 | Very high | 94.5 | Very high | 17 Ų | 17 | 60.1 Ų | 60.1 | 9% | 0.089 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.9 | -46.9 | -179.7 | -71.8 | 166.8 | 0 | 0 | 0 | 112.3 | A320 N323 M327 L407 A413 V415 C547 | A320-L411 HydrophobicContact CB-CD1 3.87Å; A320-L411 WeakPolarHBondContact O-CD1 3.46Å; N323-L411 HydrophobicContact CB-CD1 3.87Å; N323-L411 HydrophobicContact CB-CD2 4.36Å; M327-L411 HydrophobicContact CE-CD2 4.44Å; M327-L411 HydrophobicContact CG-CD2 4.48Å; L407-L411 WeakPolarHBondContact O-CB 3.14Å; L407-L411 WeakPolarHBondContact O-CG 3.42Å; L407-L411 PolarHBondContact O-N 2.98Å; L411-A413 VanDerWaalsContact C-N 3.3Å; L411-A413 PolarHBondContact O-N 3.04Å; L411-V415 HydrophobicContact CB-CG2 4.3Å; L411-V415 HydrophobicContact CD2-CG2 3.73Å; L411-V415 VanDerWaalsContact O-CB 3.3Å; L411-V415 WeakPolarHBondContact O-CB 3.34Å; L411-V415 VanDerWaalsContact O-CG2 3.25Å; L411-V415 WeakPolarHBondContact O-CG2 3.41Å; L411-V415 PolarHBondContact O-N 2.73Å; L411-V415 VanDerWaalsContact O-N 3.16Å; L411-C547 HydrophobicContact CD2-CB 4.44Å |
| 412 | R | 94 | Very high | 94.5 | Very high | 199 Ų | 199 | 60.9 Ų | 60.9 | 75% | 0.751 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.5 | -35 | 179.1 | -76 | 177.4 | 179.2 | 179.8 | -3 | 113.2 | R408 W410 | R408-R412 WeakPolarHBondContact O-CB 3.38Å; R408-R412 WeakPolarHBondContact O-CG 3.46Å; R408-R412 PolarHBondContact O-N 3.06Å; W410-R412 PolarHBondContact O-N 3.02Å |
| 413 | A | 93.5 | Very high | 94.5 | Very high | 56 Ų | 56 | 66.4 Ų | 66.4 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -79.2 | -40.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | K409 W410 L411 K571 | K409-A413 WeakPolarHBondContact O-CB 3.4Å; K409-A413 PolarHBondContact O-N 3.38Å; K409-A413 VanDerWaalsContact O-N 3.09Å; W410-A413 PolarHBondContact O-N 3.38Å; L411-A413 VanDerWaalsContact C-N 3.3Å; L411-A413 PolarHBondContact O-N 3.04Å; A413-K571 PolarHBondContact O-NZ 3.28Å |
| 414 | E | 94.7 | Very high | 94.4 | Very high | 40 Ų | 40 | 61.4 Ų | 61.4 | 19% | 0.187 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -105.6 | -35.4 | -163.4 | -64 | -65.2 | 158 | 0 | 0 | 113.9 | W410 I416 A544 C547 R548 K571 | W410-E414 WeakPolarHBondContact O-CB 3.3Å; W410-E414 PolarHBondContact O-N 2.86Å; E414-I416 PolarHBondContact O-N 2.83Å; E414-A544 HydrophobicContact CG-CB 4.25Å; E414-A544 WeakPolarHBondContact CG-O 3.44Å; E414-C547 CarbonylContact C-O 3.05Å; E414-C547 HydrophobicContact CB-CB 3.72Å; E414-R548 HydrophobicContact CB-CB 4.39Å; E414-R548 IonicContact OE1-NH2 3.65Å; E414-R548 IonicContact OE2-CZ 3.81Å; E414-R548 VanDerWaalsContact OE2-CZ 3.3Å; E414-R548 IonicContact OE2-NE 3.11Å; E414-R548 PolarHBondContact OE2-NE 2.98Å; E414-R548 IonicContact OE2-NH2 2.92Å; E414-R548 PolarHBondContact OE2-NH2 3.25Å; E414-K571 PolarHBondContact O-NZ 2.91Å |
| 415 | V | 95.2 | Very high | 94.4 | Very high | 36 Ų | 36 | 57.1 Ų | 57.1 | 22% | 0.218 | 28% | 0.277 | C | S | . | . | trans | -57.2 | 138.9 | -177.1 | 176.7 | 0 | 0 | 0 | 0 | 111 | M327 L411 C547 F551 K571 | M327-V415 HydrophobicContact CE-CG1 4.16Å; M327-V415 HydrophobicContact CE-CG2 3.73Å; L411-V415 HydrophobicContact CB-CG2 4.3Å; L411-V415 HydrophobicContact CD2-CG2 3.73Å; L411-V415 VanDerWaalsContact O-CB 3.3Å; L411-V415 WeakPolarHBondContact O-CB 3.34Å; L411-V415 VanDerWaalsContact O-CG2 3.25Å; L411-V415 WeakPolarHBondContact O-CG2 3.41Å; L411-V415 PolarHBondContact O-N 2.73Å; L411-V415 VanDerWaalsContact O-N 3.16Å; V415-C547 VanDerWaalsContact CA-O 3.29Å; V415-C547 WeakPolarHBondContact CA-O 3.38Å; V415-C547 HydrophobicContact CG2-CB 4.19Å; V415-C547 WeakPolarHBondContact CG2-O 3.45Å; V415-C547 PolarHBondContact N-O 3.39Å; V415-F551 HydrophobicContact CG1-CB 3.98Å; V415-K571 PolarHBondContact O-NZ 3.41Å | ||
| 416 | I | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 123.4 | 176.3 | -57.4 | 173.2 | 0 | 0 | 0 | 107.1 | E414 V421 R549 L550 F551 Y570 K571 W573 | E414-I416 PolarHBondContact O-N 2.83Å; I416-V421 HydrophobicContact CG2-CG2 3.64Å; I416-R549 PolarHBondContact N-O 2.87Å; I416-L550 HydrophobicContact CG2-CD1 4.01Å; I416-L550 CarbonylContact O-C 3.08Å; I416-L550 WeakPolarHBondContact O-CA 3.36Å; I416-F551 PolarHBondContact O-N 3.03Å; I416-Y570 HydrophobicContact CD1-CD1 4.4Å; I416-Y570 HydrophobicContact CG1-CD1 4.23Å; I416-Y570 HydrophobicContact CG1-CE1 4.16Å; I416-Y570 HydrophobicContact CG2-CD1 3.74Å; I416-Y570 HydrophobicContact CG2-CE1 3.96Å; I416-K571 HydrophobicContact CD1-CB 4.43Å; I416-K571 HydrophobicContact CD1-CD 4.44Å; I416-K571 HydrophobicContact CG1-CD 4.13Å; I416-W573 HydrophobicContact CD1-CD2 3.96Å; I416-W573 HydrophobicContact CD1-CG 3.99Å; I416-W573 HydrophobicContact CD1-CZ2 4.12Å; I416-W573 VanDerWaalsContact CD1-NE1 3.31Å |
| 417 | S | 94.9 | Very high | 94.1 | Very high | 41 Ų | 41 | 60.8 Ų | 60.8 | 29% | 0.287 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 151.9 | 171.5 | 71.5 | 0 | 0 | 0 | 0 | 110.7 | E419 S420 V421 | S417-E419 VanDerWaalsContact C-N 3.25Å; S417-E419 PolarHBondContact O-N 2.78Å; S417-S420 WeakPolarHBondContact O-CB 3.16Å; S417-S420 PolarHBondContact O-N 3.12Å; S417-S420 VanDerWaalsContact O-N 3.07Å; S417-S420 PolarHBondContact OG-N 3.04Å; S417-S420 PolarHBondContact OG-OG 2.86Å; S417-S420 VanDerWaalsContact OG-OG 3.12Å; S417-V421 PolarHBondContact O-N 3.46Å; S417-V421 VanDerWaalsContact O-N 3.16Å |
| 418 | L | 93.3 | Very high | 93.9 | Very high | 23 Ų | 23 | 65.2 Ų | 65.2 | 12% | 0.12 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.7 | -38.5 | 176.4 | -162.6 | 65.8 | 0 | 0 | 0 | 111.5 | S420 V421 V422 L552 L557 E561 L565 | L418-S420 VanDerWaalsContact C-N 3.32Å; L418-S420 PolarHBondContact O-N 2.97Å; L418-V421 PolarHBondContact O-N 3.08Å; L418-V421 VanDerWaalsContact O-N 3.15Å; L418-V422 WeakPolarHBondContact O-CG2 3.36Å; L418-V422 PolarHBondContact O-N 3.18Å; L418-L552 HydrophobicContact CB-CD2 4.32Å; L418-L552 HydrophobicContact CD1-CD2 4.14Å; L418-L552 HydrophobicContact CD2-CD2 4.15Å; L418-L552 HydrophobicContact CG-CD2 4.47Å; L418-L557 HydrophobicContact CD2-CD2 3.93Å; L418-E561 HydrophobicContact CD1-CB 4.4Å; L418-E561 HydrophobicContact CD2-CB 3.94Å; L418-E561 HydrophobicContact CD2-CG 3.53Å; L418-E561 VanDerWaalsContact CD2-OE1 3.27Å; L418-E561 WeakPolarHBondContact CD2-OE1 3.26Å; L418-E561 HydrophobicContact CG-CB 4.31Å; L418-E561 HydrophobicContact CG-CG 3.96Å; L418-L565 HydrophobicContact CD1-CD1 4.18Å; L418-L565 HydrophobicContact CD1-CD2 3.99Å; L418-L565 HydrophobicContact CD1-CG 4.14Å |
| 419 | E | 93.4 | Very high | 93.6 | Very high | 129 Ų | 129 | 66.8 Ų | 66.8 | 60% | 0.603 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.7 | -39.7 | 173.3 | -71.9 | -173.7 | 163.7 | 0 | 0 | 113.2 | S417 V421 K423 | S417-E419 VanDerWaalsContact C-N 3.25Å; S417-E419 PolarHBondContact O-N 2.78Å; E419-V421 VanDerWaalsContact C-N 3.35Å; E419-K423 WeakPolarHBondContact O-CB 3.5Å; E419-K423 VanDerWaalsContact O-CG 3.27Å; E419-K423 WeakPolarHBondContact O-CG 3.42Å; E419-K423 PolarHBondContact O-N 2.91Å |
| 420 | S | 93.8 | Very high | 93.3 | Very high | 40 Ų | 40 | 61 Ų | 61 | 28% | 0.28 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67 | -38.2 | 176.6 | -68.5 | 0 | 0 | 0 | 0 | 111.7 | S417 L418 D424 | S417-S420 WeakPolarHBondContact O-CB 3.16Å; S417-S420 PolarHBondContact O-N 3.12Å; S417-S420 VanDerWaalsContact O-N 3.07Å; S417-S420 PolarHBondContact OG-N 3.04Å; S417-S420 PolarHBondContact OG-OG 2.86Å; S417-S420 VanDerWaalsContact OG-OG 3.12Å; L418-S420 VanDerWaalsContact C-N 3.32Å; L418-S420 PolarHBondContact O-N 2.97Å; S420-D424 WeakPolarHBondContact O-CB 3.27Å; S420-D424 PolarHBondContact O-N 2.97Å |
| 421 | V | 94.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.3 | -45.8 | 175.9 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | I416 S417 L418 E419 D424 Y425 L565 I568 Y570 | I416-V421 HydrophobicContact CG2-CG2 3.64Å; S417-V421 PolarHBondContact O-N 3.46Å; S417-V421 VanDerWaalsContact O-N 3.16Å; L418-V421 PolarHBondContact O-N 3.08Å; L418-V421 VanDerWaalsContact O-N 3.15Å; E419-V421 VanDerWaalsContact C-N 3.35Å; V421-D424 PolarHBondContact O-N 3.36Å; V421-Y425 PolarHBondContact O-N 3.41Å; V421-L565 HydrophobicContact CG1-CD2 4.36Å; V421-I568 HydrophobicContact CG1-CD1 4Å; V421-I568 HydrophobicContact CG1-CG1 4.01Å; V421-I568 HydrophobicContact CG2-CD1 3.93Å; V421-Y570 HydrophobicContact CG2-CD1 4.47Å |
| 422 | V | 93.3 | Very high | 92.2 | Very high | 22 Ų | 22 | 64.2 Ų | 64.2 | 13% | 0.133 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 177.5 | 174 | 0 | 0 | 0 | 0 | 111 | L418 D424 Y425 Q426 E561 | L418-V422 WeakPolarHBondContact O-CG2 3.36Å; L418-V422 PolarHBondContact O-N 3.18Å; V422-D424 PolarHBondContact O-N 2.91Å; V422-Y425 WeakPolarHBondContact O-CB 3.24Å; V422-Y425 PolarHBondContact O-N 3.25Å; V422-Q426 HydrophobicContact CG1-CG 4.39Å; V422-Q426 VanDerWaalsContact O-CG 3.26Å; V422-Q426 WeakPolarHBondContact O-CG 2.96Å; V422-Q426 PolarHBondContact O-N 2.93Å; V422-E561 HydrophobicContact CG2-CG 4.21Å |
| 423 | K | 93.6 | Very high | 91.9 | Very high | 119 Ų | 119 | 58.1 Ų | 58.1 | 52% | 0.517 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 176.1 | -76.3 | 170.1 | -177.6 | 164.5 | 0 | 112.2 | E419 Y425 Q426 V427 | E419-K423 WeakPolarHBondContact O-CB 3.5Å; E419-K423 VanDerWaalsContact O-CG 3.27Å; E419-K423 WeakPolarHBondContact O-CG 3.42Å; E419-K423 PolarHBondContact O-N 2.91Å; K423-Y425 VanDerWaalsContact C-N 3.33Å; K423-Y425 PolarHBondContact O-N 3.47Å; K423-Q426 PolarHBondContact O-N 3.09Å; K423-V427 WeakPolarHBondContact O-CG2 3.47Å; K423-V427 PolarHBondContact O-N 2.96Å |
| 424 | D | 93.3 | Very high | 91.6 | Very high | 40 Ų | 40 | 56.7 Ų | 56.7 | 21% | 0.214 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 175.8 | -179.3 | 76.9 | 0 | 0 | 0 | 111.6 | S420 V421 V422 V427 K428 Y570 | S420-D424 WeakPolarHBondContact O-CB 3.27Å; S420-D424 PolarHBondContact O-N 2.97Å; V421-D424 PolarHBondContact O-N 3.36Å; V422-D424 PolarHBondContact O-N 2.91Å; D424-V427 PolarHBondContact O-N 2.96Å; D424-K428 VanDerWaalsContact CG-NZ 3.3Å; D424-K428 WeakPolarHBondContact O-CG 3.37Å; D424-K428 PolarHBondContact O-N 3.28Å; D424-K428 VanDerWaalsContact O-N 3.16Å; D424-K428 WeakPolarHBondContact OD1-CE 3.35Å; D424-K428 IonicContact OD1-NZ 2.97Å; D424-K428 PolarHBondContact OD1-NZ 2.65Å; D424-K428 VanDerWaalsContact OD1-NZ 3.11Å; D424-K428 WeakPolarHBondContact OD2-CE 3.4Å; D424-K428 IonicContact OD2-NZ 3.04Å; D424-K428 PolarHBondContact OD2-NZ 2.98Å; D424-Y570 HydrophobicContact CB-CD2 3.84Å; D424-Y570 HydrophobicContact CB-CE2 4.46Å |
| 425 | Y | 92.5 | Very high | 91.2 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.1 | -49.6 | 172.6 | -173.9 | -74.8 | 0 | 0 | 0 | 111.4 | V421 V422 K423 V427 K428 Y429 L432 E563 K567 | V421-Y425 PolarHBondContact O-N 3.41Å; V422-Y425 WeakPolarHBondContact O-CB 3.24Å; V422-Y425 PolarHBondContact O-N 3.25Å; K423-Y425 VanDerWaalsContact C-N 3.33Å; K423-Y425 PolarHBondContact O-N 3.47Å; Y425-V427 VanDerWaalsContact C-N 3.27Å; Y425-V427 PolarHBondContact O-N 3.01Å; Y425-K428 PolarHBondContact O-N 3.2Å; Y425-Y429 AromaticContact CD1-CD2 3.99Å; Y425-Y429 HydrophobicContact CD1-CD2 3.99Å; Y425-Y429 AromaticContact CD2-CD2 3.55Å; Y425-Y429 HydrophobicContact CD2-CD2 3.55Å; Y425-Y429 AromaticContact CD2-CE2 3.97Å; Y425-Y429 HydrophobicContact CD2-CE2 3.97Å; Y425-Y429 HydrophobicContact CE1-CD2 4Å; Y425-Y429 HydrophobicContact CE1-CG 4.22Å; Y425-Y429 AromaticContact CE2-CD2 3.68Å; Y425-Y429 HydrophobicContact CE2-CD2 3.68Å; Y425-Y429 HydrophobicContact CE2-CE2 4.17Å; Y425-Y429 HydrophobicContact CE2-CG 4.4Å; Y425-Y429 AromaticContact CG-CD2 3.75Å; Y425-Y429 HydrophobicContact CG-CD2 3.75Å; Y425-Y429 HydrophobicContact CG-CE2 4.48Å; Y425-Y429 AromaticContact CZ-CD2 3.87Å; Y425-Y429 PolarHBondContact O-N 3.25Å; Y425-L432 HydrophobicContact CD1-CD1 4.16Å; Y425-L432 HydrophobicContact CE1-CD1 3.29Å; Y425-L432 HydrophobicContact CE1-CG 3.98Å; Y425-L432 WeakPolarHBondContact OH-CD1 3.49Å; Y425-E563 HydrophobicContact CE2-CG 4.27Å; Y425-E563 WeakPolarHBondContact OH-CG 3.43Å; Y425-E563 PolarHBondContact OH-OE1 3.38Å; Y425-K567 HydrophobicContact CD2-CB 4.28Å; Y425-K567 HydrophobicContact CE2-CB 3.91Å; Y425-K567 HydrophobicContact CE2-CD 3.86Å; Y425-K567 HydrophobicContact CE2-CG 4.25Å |
| 426 | Q | 91.7 | Very high | 90.9 | Very high | 68 Ų | 68 | 63.7 Ų | 63.7 | 32% | 0.318 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.5 | -39.9 | -178.6 | -72.2 | 173 | -13.3 | 0 | 0 | 112 | V422 K423 G430 | V422-Q426 HydrophobicContact CG1-CG 4.39Å; V422-Q426 VanDerWaalsContact O-CG 3.26Å; V422-Q426 WeakPolarHBondContact O-CG 2.96Å; V422-Q426 PolarHBondContact O-N 2.93Å; K423-Q426 PolarHBondContact O-N 3.09Å; Q426-G430 WeakPolarHBondContact CA-O 3.36Å; Q426-G430 CarbonylContact O-C 3.5Å; Q426-G430 WeakPolarHBondContact O-CA 3.21Å; Q426-G430 PolarHBondContact O-N 2.68Å |
| 427 | V | 91.4 | Very high | 90.5 | Very high | 129 Ų | 129 | 63.9 Ų | 63.9 | 78% | 0.782 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.5 | -38.8 | 176.6 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | K423 D424 Y425 | K423-V427 WeakPolarHBondContact O-CG2 3.47Å; K423-V427 PolarHBondContact O-N 2.96Å; D424-V427 PolarHBondContact O-N 2.96Å; Y425-V427 VanDerWaalsContact C-N 3.27Å; Y425-V427 PolarHBondContact O-N 3.01Å |
| 428 | K | 90.9 | Very high | 90.1 | Very high | 97 Ų | 97 | 62.2 Ų | 62.2 | 42% | 0.422 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -84 | -38.1 | -174.9 | -72.4 | 173.1 | -179.2 | 163.7 | 0 | 114 | D424 Y425 N569 | D424-K428 VanDerWaalsContact CG-NZ 3.3Å; D424-K428 WeakPolarHBondContact O-CG 3.37Å; D424-K428 PolarHBondContact O-N 3.28Å; D424-K428 VanDerWaalsContact O-N 3.16Å; D424-K428 WeakPolarHBondContact OD1-CE 3.35Å; D424-K428 IonicContact OD1-NZ 2.97Å; D424-K428 PolarHBondContact OD1-NZ 2.65Å; D424-K428 VanDerWaalsContact OD1-NZ 3.11Å; D424-K428 WeakPolarHBondContact OD2-CE 3.4Å; D424-K428 IonicContact OD2-NZ 3.04Å; D424-K428 PolarHBondContact OD2-NZ 2.98Å; Y425-K428 PolarHBondContact O-N 3.2Å; K428-N569 PolarHBondContact NZ-O 3.03Å |
| 429 | Y | 90.2 | Very high | 89.7 | Confident | 129 Ų | 129 | 63.3 Ų | 63.3 | 51% | 0.506 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -122 | -3.3 | -169 | -53.5 | -68.9 | 0 | 0 | 0 | 113.5 | Y425 K567 | Y425-Y429 AromaticContact CD1-CD2 3.99Å; Y425-Y429 HydrophobicContact CD1-CD2 3.99Å; Y425-Y429 AromaticContact CD2-CD2 3.55Å; Y425-Y429 HydrophobicContact CD2-CD2 3.55Å; Y425-Y429 AromaticContact CD2-CE2 3.97Å; Y425-Y429 HydrophobicContact CD2-CE2 3.97Å; Y425-Y429 HydrophobicContact CE1-CD2 4Å; Y425-Y429 HydrophobicContact CE1-CG 4.22Å; Y425-Y429 AromaticContact CE2-CD2 3.68Å; Y425-Y429 HydrophobicContact CE2-CD2 3.68Å; Y425-Y429 HydrophobicContact CE2-CE2 4.17Å; Y425-Y429 HydrophobicContact CE2-CG 4.4Å; Y425-Y429 AromaticContact CG-CD2 3.75Å; Y425-Y429 HydrophobicContact CG-CD2 3.75Å; Y425-Y429 HydrophobicContact CG-CE2 4.48Å; Y425-Y429 AromaticContact CZ-CD2 3.87Å; Y425-Y429 PolarHBondContact O-N 3.25Å; Y429-K567 HydrophobicContact CE2-CB 4.22Å |
| 430 | G | 88.2 | Confident | 89.4 | Confident | 35 Ų | 35 | 60.4 Ų | 60.4 | 36% | 0.361 | 31% | 0.31 | S | S | . | . | trans | 91.4 | 165.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q426 L432 | Q426-G430 WeakPolarHBondContact CA-O 3.36Å; Q426-G430 CarbonylContact O-C 3.5Å; Q426-G430 WeakPolarHBondContact O-CA 3.21Å; Q426-G430 PolarHBondContact O-N 2.68Å; G430-L432 PolarHBondContact O-N 3.23Å | ||
| 431 | T | 85.4 | Confident | 88.9 | Confident | 107 Ų | 107 | 60.6 Ų | 60.6 | 66% | 0.656 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -73 | 126.4 | -179.2 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 432 | L | 84.1 | Confident | 88.3 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 13% | 0.126 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -99.6 | 129.7 | 170 | -68.5 | 168.7 | 0 | 0 | 0 | 109.8 | Y425 G430 Y436 L437 V560 E563 | Y425-L432 HydrophobicContact CD1-CD1 4.16Å; Y425-L432 HydrophobicContact CE1-CD1 3.29Å; Y425-L432 HydrophobicContact CE1-CG 3.98Å; Y425-L432 WeakPolarHBondContact OH-CD1 3.49Å; G430-L432 PolarHBondContact O-N 3.23Å; L432-Y436 HydrophobicContact CD2-CD1 3.58Å; L432-Y436 HydrophobicContact CD2-CE1 3.64Å; L432-L437 HydrophobicContact CB-CD1 3.98Å; L432-L437 HydrophobicContact CD1-CD1 3.85Å; L432-L437 HydrophobicContact CD1-CG 4.34Å; L432-L437 HydrophobicContact CD2-CD1 4.46Å; L432-L437 HydrophobicContact CD2-CG 4.21Å; L432-L437 HydrophobicContact CG-CD1 4.33Å; L432-V560 HydrophobicContact CB-CG1 4.45Å; L432-E563 HydrophobicContact CD1-CG 3.89Å |
| 433 | T | 86.1 | Confident | 87.4 | Confident | 70 Ų | 70 | 62.9 Ų | 62.9 | 43% | 0.429 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -95 | 156.3 | 166.8 | 62.4 | 0 | 0 | 0 | 0 | 109.6 | E435 Y436 L437 | T433-E435 VanDerWaalsContact C-N 3.3Å; T433-E435 PolarHBondContact O-N 3.17Å; T433-Y436 PolarHBondContact O-N 3.18Å; T433-Y436 WeakPolarHBondContact OG1-CB 3.48Å; T433-Y436 PolarHBondContact OG1-N 3.08Å; T433-Y436 VanDerWaalsContact OG1-N 3.13Å; T433-L437 PolarHBondContact O-N 3.27Å; T433-L437 VanDerWaalsContact O-N 3.12Å |
| 434 | F | 87.6 | Confident | 86 | Confident | 26 Ų | 26 | 65.2 Ų | 65.2 | 11% | 0.114 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.5 | -49 | 174.4 | -83.4 | -99.2 | 0 | 0 | 0 | 110.6 | Y436 L437 L438 S558 V559 V560 D699 E700 F703 | F434-Y436 PolarHBondContact O-N 3.4Å; F434-L437 PolarHBondContact O-N 2.83Å; F434-L438 HydrophobicContact CB-CD1 4.35Å; F434-L438 WeakPolarHBondContact O-CB 3.12Å; F434-L438 WeakPolarHBondContact O-CD1 3.39Å; F434-L438 WeakPolarHBondContact O-CG 3.4Å; F434-L438 PolarHBondContact O-N 3.49Å; F434-S558 VanDerWaalsContact CZ-CB 3.48Å; F434-V559 HydrophobicContact CD1-CG2 4.07Å; F434-V559 HydrophobicContact CE1-CG2 4.37Å; F434-V560 HydrophobicContact CD1-CG2 4.37Å; F434-V560 HydrophobicContact CD2-CG2 3.91Å; F434-V560 HydrophobicContact CE1-CG2 4.41Å; F434-V560 HydrophobicContact CE2-CG2 3.95Å; F434-V560 HydrophobicContact CG-CG2 4.13Å; F434-V560 HydrophobicContact CZ-CG2 4.21Å; F434-D699 HydrophobicContact CB-CB 3.87Å; F434-E700 HydrophobicContact CD2-CG 3.68Å; F434-E700 WeakPolarHBondContact CD2-OE1 3.45Å; F434-E700 HydrophobicContact CE2-CG 4.08Å; F434-E700 HydrophobicContact CG-CG 4.44Å; F434-F703 HydrophobicContact CE1-CB 3.72Å; F434-F703 HydrophobicContact CE1-CD1 4.12Å; F434-F703 HydrophobicContact CE1-CD2 4.28Å; F434-F703 AromaticContact CE1-CG 3.77Å; F434-F703 HydrophobicContact CE1-CG 3.77Å; F434-F703 HydrophobicContact CZ-CB 4.04Å; F434-F703 AromaticContact CZ-CD1 3.62Å; F434-F703 HydrophobicContact CZ-CD1 3.62Å; F434-F703 HydrophobicContact CZ-CD2 4.47Å; F434-F703 HydrophobicContact CZ-CE1 4.16Å; F434-F703 AromaticContact CZ-CG 3.77Å; F434-F703 HydrophobicContact CZ-CG 3.77Å |
| 435 | E | 85.8 | Confident | 84.5 | Confident | 98 Ų | 98 | 65 Ų | 65 | 46% | 0.458 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.6 | -45 | 179.7 | 177.1 | 166.8 | -143.3 | 0 | 0 | 112.6 | T433 S439 Y685 R688 | T433-E435 VanDerWaalsContact C-N 3.3Å; T433-E435 PolarHBondContact O-N 3.17Å; E435-S439 VanDerWaalsContact O-CB 3.22Å; E435-S439 WeakPolarHBondContact O-CB 3.43Å; E435-S439 PolarHBondContact O-N 3.15Å; E435-S439 PolarHBondContact O-OG 2.7Å; E435-Y685 HydrophobicContact CG-CE2 4.13Å; E435-R688 IonicContact OE1-NH2 3.94Å |
| 436 | Y | 88.8 | Confident | 82.4 | Confident | 126 Ų | 126 | 67 Ų | 67 | 49% | 0.494 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 179.7 | 172.8 | -100.6 | 0 | 0 | 0 | 111.9 | L432 T433 F434 S439 R440 | L432-Y436 HydrophobicContact CD2-CD1 3.58Å; L432-Y436 HydrophobicContact CD2-CE1 3.64Å; T433-Y436 PolarHBondContact O-N 3.18Å; T433-Y436 WeakPolarHBondContact OG1-CB 3.48Å; T433-Y436 PolarHBondContact OG1-N 3.08Å; T433-Y436 VanDerWaalsContact OG1-N 3.13Å; F434-Y436 PolarHBondContact O-N 3.4Å; Y436-S439 WeakPolarHBondContact CA-OG 3.15Å; Y436-S439 PolarHBondContact O-OG 3.35Å; Y436-R440 WeakPolarHBondContact O-CB 3.29Å; Y436-R440 PolarHBondContact O-N 3.42Å |
| 437 | L | 87.6 | Confident | 80.3 | Confident | 4 Ų | 4 | 73.1 Ų | 73.1 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.1 | -50.2 | 178.2 | -106.4 | 164 | 0 | 0 | 0 | 111.2 | L432 T433 F434 S439 R440 E441 V559 V560 E563 | L432-L437 HydrophobicContact CB-CD1 3.98Å; L432-L437 HydrophobicContact CD1-CD1 3.85Å; L432-L437 HydrophobicContact CD1-CG 4.34Å; L432-L437 HydrophobicContact CD2-CD1 4.46Å; L432-L437 HydrophobicContact CD2-CG 4.21Å; L432-L437 HydrophobicContact CG-CD1 4.33Å; T433-L437 PolarHBondContact O-N 3.27Å; T433-L437 VanDerWaalsContact O-N 3.12Å; F434-L437 PolarHBondContact O-N 2.83Å; L437-S439 PolarHBondContact O-N 3.08Å; L437-R440 PolarHBondContact O-N 3.04Å; L437-E441 VanDerWaalsContact O-CG 3.3Å; L437-E441 WeakPolarHBondContact O-CG 3.18Å; L437-E441 PolarHBondContact O-N 2.95Å; L437-V559 HydrophobicContact CB-CG2 4.44Å; L437-V560 HydrophobicContact CD1-CB 4.26Å; L437-V560 HydrophobicContact CD1-CG2 3.84Å; L437-E563 HydrophobicContact CD1-CB 4.29Å; L437-E563 HydrophobicContact CD2-CB 4.38Å; L437-E563 HydrophobicContact CD2-CG 4.3Å |
| 438 | L | 87.6 | Confident | 78.3 | Confident | 6 Ų | 6 | 75.4 Ų | 75.4 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.8 | -43.8 | -178.1 | -67.2 | 165.6 | 0 | 0 | 0 | 111.1 | F434 L442 V559 E682 Y685 D699 | F434-L438 HydrophobicContact CB-CD1 4.35Å; F434-L438 WeakPolarHBondContact O-CB 3.12Å; F434-L438 WeakPolarHBondContact O-CD1 3.39Å; F434-L438 WeakPolarHBondContact O-CG 3.4Å; F434-L438 PolarHBondContact O-N 3.49Å; L438-L442 VanDerWaalsContact O-CB 3.26Å; L438-L442 WeakPolarHBondContact O-CB 3.08Å; L438-L442 WeakPolarHBondContact O-CD1 3.18Å; L438-L442 VanDerWaalsContact O-CG 3.25Å; L438-L442 WeakPolarHBondContact O-CG 3.18Å; L438-L442 PolarHBondContact O-N 2.84Å; L438-V559 HydrophobicContact CD2-CG1 4.22Å; L438-V559 HydrophobicContact CD2-CG2 4.17Å; L438-V559 HydrophobicContact CG-CG2 4.3Å; L438-E682 HydrophobicContact CD2-CG 3.92Å; L438-Y685 HydrophobicContact CB-CD1 4.49Å; L438-Y685 HydrophobicContact CB-CD2 4.11Å; L438-Y685 HydrophobicContact CB-CG 4.1Å; L438-Y685 HydrophobicContact CD1-CD2 4.04Å; L438-Y685 HydrophobicContact CD1-CG 4.32Å; L438-D699 HydrophobicContact CD1-CB 4.47Å |
| 439 | S | 84.9 | Confident | 76.9 | Confident | 45 Ų | 45 | 72.4 Ų | 72.4 | 32% | 0.315 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 175.8 | 57.9 | 0 | 0 | 0 | 0 | 112.7 | E435 Y436 L437 L442 A443 | E435-S439 VanDerWaalsContact O-CB 3.22Å; E435-S439 WeakPolarHBondContact O-CB 3.43Å; E435-S439 PolarHBondContact O-N 3.15Å; E435-S439 PolarHBondContact O-OG 2.7Å; Y436-S439 WeakPolarHBondContact CA-OG 3.15Å; Y436-S439 PolarHBondContact O-OG 3.35Å; L437-S439 PolarHBondContact O-N 3.08Å; S439-L442 PolarHBondContact O-N 3.47Å; S439-A443 WeakPolarHBondContact O-CB 3.13Å; S439-A443 PolarHBondContact O-N 2.82Å |
| 440 | R | 86.5 | Confident | 75.7 | Confident | 69 Ų | 69 | 75 Ų | 75 | 26% | 0.26 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.1 | -49 | 175.9 | -174.9 | -169.5 | 77.5 | -173.6 | 4.4 | 111.8 | Y436 L437 L442 A443 E563 | Y436-R440 WeakPolarHBondContact O-CB 3.29Å; Y436-R440 PolarHBondContact O-N 3.42Å; L437-R440 PolarHBondContact O-N 3.04Å; R440-L442 VanDerWaalsContact C-N 3.29Å; R440-L442 PolarHBondContact O-N 2.98Å; R440-A443 WeakPolarHBondContact O-CB 3.42Å; R440-A443 PolarHBondContact O-N 3.36Å; R440-E563 IonicContact NH2-OE1 3.43Å |
| 441 | E | 82.6 | Confident | 75.2 | Confident | 43 Ų | 43 | 75.4 Ų | 75.4 | 20% | 0.201 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.7 | -37.7 | -179.8 | -65.8 | -58.2 | 137.1 | 0 | 0 | 111.2 | L437 R618 | L437-E441 VanDerWaalsContact O-CG 3.3Å; L437-E441 WeakPolarHBondContact O-CG 3.18Å; L437-E441 PolarHBondContact O-N 2.95Å; E441-R618 IonicContact OE2-CZ 3Å; E441-R618 IonicContact OE2-NH1 2.74Å; E441-R618 PolarHBondContact OE2-NH1 3.38Å |
| 442 | L | 81.6 | Confident | 75.1 | Confident | 10 Ų | 10 | 71.1 Ų | 71.1 | 5% | 0.052 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -75.5 | -23 | 176.6 | -72.9 | 169.7 | 0 | 0 | 0 | 113.5 | L438 S439 R440 H444 V445 A446 E682 Y685 R686 | L438-L442 VanDerWaalsContact O-CB 3.26Å; L438-L442 WeakPolarHBondContact O-CB 3.08Å; L438-L442 WeakPolarHBondContact O-CD1 3.18Å; L438-L442 VanDerWaalsContact O-CG 3.25Å; L438-L442 WeakPolarHBondContact O-CG 3.18Å; L438-L442 PolarHBondContact O-N 2.84Å; S439-L442 PolarHBondContact O-N 3.47Å; R440-L442 VanDerWaalsContact C-N 3.29Å; R440-L442 PolarHBondContact O-N 2.98Å; L442-H444 PolarHBondContact O-N 3.28Å; L442-V445 WeakPolarHBondContact O-CA 2.9Å; L442-V445 WeakPolarHBondContact O-CB 3.31Å; L442-V445 PolarHBondContact O-N 2.81Å; L442-A446 WeakPolarHBondContact O-CB 3.37Å; L442-A446 PolarHBondContact O-N 3.14Å; L442-E682 HydrophobicContact CD1-CB 4.49Å; L442-E682 HydrophobicContact CD2-CB 4.17Å; L442-E682 HydrophobicContact CD2-CG 4.43Å; L442-E682 HydrophobicContact CG-CB 4.44Å; L442-E682 HydrophobicContact CG-CG 4.38Å; L442-Y685 HydrophobicContact CD1-CD1 3.52Å; L442-Y685 HydrophobicContact CD1-CE1 4.05Å; L442-Y685 HydrophobicContact CD1-CG 4.46Å; L442-R686 HydrophobicContact CD1-CG 4.29Å |
| 443 | A | 75.6 | Confident | 75.1 | Confident | 64 Ų | 64 | 72.5 Ų | 72.5 | 53% | 0.529 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.2 | -31.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S439 R440 V445 A446 | S439-A443 WeakPolarHBondContact O-CB 3.13Å; S439-A443 PolarHBondContact O-N 2.82Å; R440-A443 WeakPolarHBondContact O-CB 3.42Å; R440-A443 PolarHBondContact O-N 3.36Å; A443-V445 PolarHBondContact O-N 3.47Å; A443-A446 PolarHBondContact O-N 3.11Å |
| 444 | H | 63.2 | Low | 74.9 | Confident | 168 Ų | 168 | 71 Ų | 71 | 78% | 0.778 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -14.2 | 175.3 | -66 | -61.4 | 0 | 0 | 0 | 114.1 | L442 | L442-H444 PolarHBondContact O-N 3.28Š|
| 445 | V | 61.4 | Low | 74.9 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 22% | 0.218 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -12.8 | -179.8 | -167.9 | 0 | 0 | 0 | 0 | 111.1 | L442 A443 E449 | L442-V445 WeakPolarHBondContact O-CA 2.9Å; L442-V445 WeakPolarHBondContact O-CB 3.31Å; L442-V445 PolarHBondContact O-N 2.81Å; A443-V445 PolarHBondContact O-N 3.47Å; V445-E449 WeakPolarHBondContact CG1-OE2 3.27Å |
| 446 | A | 50.3 | Low | 75.1 | Confident | 53 Ų | 53 | 68.3 Ų | 68.3 | 44% | 0.438 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 26.5 | -150.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | L442 A443 | L442-A446 WeakPolarHBondContact O-CB 3.37Å; L442-A446 PolarHBondContact O-N 3.14Å; A443-A446 PolarHBondContact O-N 3.11Å |
| 447 | E | 46.9 | Very low | 75.3 | Confident | 197 Ų | 197 | 63.5 Ų | 63.5 | 92% | 0.921 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -17.7 | 165.8 | -79.7 | -171.3 | 168.4 | 0 | 0 | 113.5 | ||
| 448 | E | 49 | Very low | 75.5 | Confident | 177 Ų | 177 | 63.3 Ų | 63.3 | 83% | 0.827 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -130.8 | -3.7 | -177.3 | -65.7 | -174.3 | 165.3 | 0 | 0 | 115.5 | ||
| 449 | E | 61.4 | Low | 75.7 | Confident | 33 Ų | 33 | 64.8 Ų | 64.8 | 15% | 0.154 | 33% | 0.331 | C | S | . | . | trans | -123.7 | 77.6 | -163.7 | -57.2 | -167.5 | 169.3 | 0 | 0 | 113.1 | V445 D454 D455 R456 R686 | V445-E449 WeakPolarHBondContact CG1-OE2 3.27Å; E449-D454 HydrophobicContact CB-CB 3.35Å; E449-D454 VanDerWaalsContact CD-C 3.44Å; E449-D454 HydrophobicContact CG-CB 3.64Å; E449-D454 VanDerWaalsContact OE2-O 3.13Å; E449-D455 VanDerWaalsContact OE2-CA 3.26Å; E449-D455 WeakPolarHBondContact OE2-CA 3.09Å; E449-R456 IonicContact OE1-NE 4Å; E449-R686 PolarHBondContact O-NH2 3.36Å | ||
| 450 | E | 66.2 | Low | 76.1 | Confident | 183 Ų | 183 | 62.8 Ų | 62.8 | 86% | 0.855 | 32% | 0.316 | S | S | * | . | trans | -74.1 | -35.4 | 178.8 | -93.7 | -166 | 158.7 | 0 | 0 | 113.1 | ||||
| 451 | T | 77.7 | Confident | 76.6 | Confident | 45 Ų | 45 | 59.9 Ų | 59.9 | 28% | 0.276 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -98.4 | 161.4 | -175 | 76.5 | 0 | 0 | 0 | 0 | 111.9 | H453 D454 | T451-H453 PolarHBondContact O-N 3.39Å; T451-H453 PolarHBondContact OG1-N 3.31Å; T451-D454 WeakPolarHBondContact CB-OD2 3.33Å; T451-D454 PolarHBondContact N-OD2 3Å; T451-D454 WeakPolarHBondContact O-CB 3.48Å; T451-D454 PolarHBondContact O-N 3.23Å; T451-D454 VanDerWaalsContact O-N 3.1Å; T451-D454 VanDerWaalsContact OG1-CG 3.23Å; T451-D454 PolarHBondContact OG1-N 2.99Å; T451-D454 PolarHBondContact OG1-OD2 2.98Å |
| 452 | I | 82.8 | Confident | 77 | Confident | 16 Ų | 16 | 59.1 Ų | 59.1 | 8% | 0.082 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -26.8 | 171.4 | 63.3 | 169.5 | 0 | 0 | 0 | 112.2 | D454 D455 L458 T683 R686 L687 M690 L786 | I452-D454 PolarHBondContact O-N 3.07Å; I452-D455 PolarHBondContact O-N 2.94Å; I452-L458 HydrophobicContact CB-CD1 4.21Å; I452-L458 WeakPolarHBondContact O-CD1 3.47Å; I452-T683 HydrophobicContact CG2-CG2 4.02Å; I452-R686 HydrophobicContact CG2-CB 4.08Å; I452-L687 HydrophobicContact CD1-CD2 4.06Å; I452-L687 HydrophobicContact CG2-CD2 4.01Å; I452-L687 HydrophobicContact CG2-CG 4.21Å; I452-M690 HydrophobicContact CG2-SD 4.13Å; I452-L786 HydrophobicContact CD1-CD1 4.48Å |
| 453 | H | 83.3 | Confident | 77.6 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 25% | 0.25 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -24.6 | 180 | -68.8 | -52.8 | 0 | 0 | 0 | 111.8 | T451 R779 L784 L786 | T451-H453 PolarHBondContact O-N 3.39Å; T451-H453 PolarHBondContact OG1-N 3.31Å; H453-R779 VanDerWaalsContact O-CZ 3.24Å; H453-R779 PolarHBondContact O-NH1 3.01Å; H453-R779 PolarHBondContact O-NH2 2.78Å; H453-L784 WeakPolarHBondContact CB-O 3.27Å; H453-L786 PolarHBondContact ND1-N 2.61Å |
| 454 | D | 82.5 | Confident | 78.4 | Confident | 39 Ų | 39 | 56.5 Ų | 56.5 | 21% | 0.209 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -27.5 | -179.1 | -56.2 | -44.3 | 0 | 0 | 0 | 112.1 | E449 T451 I452 R456 R779 | E449-D454 HydrophobicContact CB-CB 3.35Å; E449-D454 VanDerWaalsContact CD-C 3.44Å; E449-D454 HydrophobicContact CG-CB 3.64Å; E449-D454 VanDerWaalsContact OE2-O 3.13Å; T451-D454 WeakPolarHBondContact CB-OD2 3.33Å; T451-D454 PolarHBondContact N-OD2 3Å; T451-D454 WeakPolarHBondContact O-CB 3.48Å; T451-D454 PolarHBondContact O-N 3.23Å; T451-D454 VanDerWaalsContact O-N 3.1Å; T451-D454 VanDerWaalsContact OG1-CG 3.23Å; T451-D454 PolarHBondContact OG1-N 2.99Å; T451-D454 PolarHBondContact OG1-OD2 2.98Å; I452-D454 PolarHBondContact O-N 3.07Å; D454-R456 PolarHBondContact O-N 3.43Å; D454-R779 VanDerWaalsContact C-NH2 3.26Å; D454-R779 PolarHBondContact O-NH2 3.32Å; D454-R779 IonicContact OD1-NH1 3.11Å |
| 455 | D | 87.8 | Confident | 79.6 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | trans | -64.9 | 98 | 179.3 | -161.6 | -26.3 | 0 | 0 | 0 | 113.2 | E449 I452 R457 L458 R686 | E449-D455 VanDerWaalsContact OE2-CA 3.26Å; E449-D455 WeakPolarHBondContact OE2-CA 3.09Å; I452-D455 PolarHBondContact O-N 2.94Å; D455-R457 PolarHBondContact O-N 3.46Å; D455-R457 VanDerWaalsContact O-N 3.09Å; D455-R457 WeakPolarHBondContact OD1-CB 3.48Å; D455-R457 WeakPolarHBondContact OD1-CG 3.07Å; D455-R457 IonicContact OD1-CZ 2.79Å; D455-R457 PolarHBondContact OD1-N 2.85Å; D455-R457 IonicContact OD1-NE 2.65Å; D455-R457 PolarHBondContact OD1-NE 2.97Å; D455-R457 IonicContact OD1-NH2 3.78Å; D455-R457 IonicContact OD2-CZ 3.74Å; D455-R457 IonicContact OD2-NE 3.3Å; D455-R457 PolarHBondContact OD2-NE 2.81Å; D455-R457 IonicContact OD2-NH2 3.3Å; D455-R457 PolarHBondContact OD2-NH2 3.04Å; D455-L458 HydrophobicContact CB-CD1 3.97Å; D455-L458 HydrophobicContact CB-CG 3.88Å; D455-L458 WeakPolarHBondContact O-CB 3.27Å; D455-L458 PolarHBondContact O-N 3.37Å; D455-R686 VanDerWaalsContact CB-NH1 3.31Å; D455-R686 VanDerWaalsContact CG-NH1 3.29Å; D455-R686 IonicContact OD2-NH1 2.69Å; D455-R686 PolarHBondContact OD2-NH1 3.4Å | ||
| 456 | R | 89.4 | Confident | 81 | Confident | 65 Ų | 65 | 51.7 Ų | 51.7 | 25% | 0.245 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59 | -25.3 | 179.5 | -64.4 | 178.1 | -179.3 | -117.8 | 11 | 113 | E449 D454 L458 T459 L460 A775 Y776 T777 | E449-R456 IonicContact OE1-NE 4Å; D454-R456 PolarHBondContact O-N 3.43Å; R456-L458 VanDerWaalsContact C-N 3.26Å; R456-L458 PolarHBondContact O-N 2.88Å; R456-T459 PolarHBondContact O-N 3.33Å; R456-L460 PolarHBondContact O-N 3.01Å; R456-L460 VanDerWaalsContact O-N 3.12Å; R456-A775 WeakPolarHBondContact CD-O 3.41Å; R456-A775 WeakPolarHBondContact CG-O 3.47Å; R456-A775 PolarHBondContact NH1-O 3.26Å; R456-A775 VanDerWaalsContact NH1-O 3.14Å; R456-A775 WeakPolarHBondContact O-CB 3.34Å; R456-Y776 HydrophobicContact CB-CE1 4.36Å; R456-T777 PolarHBondContact NH1-O 2.96Å |
| 457 | R | 92.3 | Very high | 83 | Confident | 25 Ų | 25 | 49.4 Ų | 49.4 | 9% | 0.094 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.9 | -30.4 | 179.6 | -54.2 | 170.1 | -63.2 | 161.7 | 9.7 | 110.9 | D455 L460 F461 L679 E682 | D455-R457 PolarHBondContact O-N 3.46Å; D455-R457 VanDerWaalsContact O-N 3.09Å; D455-R457 WeakPolarHBondContact OD1-CB 3.48Å; D455-R457 WeakPolarHBondContact OD1-CG 3.07Å; D455-R457 IonicContact OD1-CZ 2.79Å; D455-R457 PolarHBondContact OD1-N 2.85Å; D455-R457 IonicContact OD1-NE 2.65Å; D455-R457 PolarHBondContact OD1-NE 2.97Å; D455-R457 IonicContact OD1-NH2 3.78Å; D455-R457 IonicContact OD2-CZ 3.74Å; D455-R457 IonicContact OD2-NE 3.3Å; D455-R457 PolarHBondContact OD2-NE 2.81Å; D455-R457 IonicContact OD2-NH2 3.3Å; D455-R457 PolarHBondContact OD2-NH2 3.04Å; R457-L460 PolarHBondContact O-N 3.37Å; R457-F461 HydrophobicContact CB-CD2 4.32Å; R457-F461 WeakPolarHBondContact O-CB 3.47Å; R457-F461 VanDerWaalsContact O-CD2 3.26Å; R457-F461 WeakPolarHBondContact O-CD2 3.32Å; R457-F461 PolarHBondContact O-N 3.38Å; R457-L679 HydrophobicContact CB-CD1 4.41Å; R457-L679 HydrophobicContact CB-CD2 4.22Å; R457-E682 IonicContact CZ-OE2 3.49Å; R457-E682 VanDerWaalsContact CZ-OE2 3.24Å; R457-E682 IonicContact NH1-OE2 2.82Å; R457-E682 PolarHBondContact NH1-OE2 2.84Å; R457-E682 IonicContact NH2-OE2 3.68Å; R457-E682 PolarHBondContact NH2-OE2 2.66Å |
| 458 | L | 93.4 | Very high | 85.1 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.1 | -45.1 | 176.9 | -65.8 | -175.2 | 0 | 0 | 0 | 111.5 | I452 D455 R456 H462 Y463 F468 L679 T683 L786 | I452-L458 HydrophobicContact CB-CD1 4.21Å; I452-L458 WeakPolarHBondContact O-CD1 3.47Å; D455-L458 HydrophobicContact CB-CD1 3.97Å; D455-L458 HydrophobicContact CB-CG 3.88Å; D455-L458 WeakPolarHBondContact O-CB 3.27Å; D455-L458 PolarHBondContact O-N 3.37Å; R456-L458 VanDerWaalsContact C-N 3.26Å; R456-L458 PolarHBondContact O-N 2.88Å; L458-H462 PolarHBondContact O-N 2.67Å; L458-H462 VanDerWaalsContact O-N 3.1Å; L458-Y463 HydrophobicContact CD2-CD1 4.26Å; L458-Y463 HydrophobicContact CD2-CD2 3.9Å; L458-Y463 HydrophobicContact CD2-CE2 4.43Å; L458-Y463 HydrophobicContact CD2-CG 3.81Å; L458-Y463 PolarHBondContact O-N 2.81Å; L458-F468 HydrophobicContact CD1-CE2 4.43Å; L458-F468 HydrophobicContact CD1-CZ 4.18Å; L458-F468 HydrophobicContact CD2-CZ 4.18Å; L458-L679 HydrophobicContact CD2-CD1 4.09Å; L458-L679 HydrophobicContact CD2-CD2 3.94Å; L458-L679 HydrophobicContact CD2-CG 3.84Å; L458-T683 HydrophobicContact CD1-CG2 4.08Å; L458-T683 WeakPolarHBondContact CD2-OG1 3.46Å; L458-L786 HydrophobicContact CB-CD1 4.24Å; L458-L786 HydrophobicContact CB-CD2 3.85Å; L458-L786 HydrophobicContact CD1-CD1 3.94Å |
| 459 | T | 91.6 | Very high | 87 | Confident | 37 Ų | 37 | 34.5 Ų | 34.5 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.1 | -45 | 173.4 | -54.8 | 0 | 0 | 0 | 0 | 111.3 | R456 F461 H462 A775 | R456-T459 PolarHBondContact O-N 3.33Å; T459-F461 PolarHBondContact O-N 3.23Å; T459-H462 PolarHBondContact O-N 2.86Å; T459-H462 VanDerWaalsContact O-N 3.09Å; T459-A775 HydrophobicContact CG2-CB 4.24Å |
| 460 | L | 93.6 | Very high | 88.5 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | -179.4 | 173.8 | 62.3 | 0 | 0 | 0 | 113 | R456 R457 H462 V620 P626 H772 A775 Y776 | R456-L460 PolarHBondContact O-N 3.01Å; R456-L460 VanDerWaalsContact O-N 3.12Å; R457-L460 PolarHBondContact O-N 3.37Å; L460-H462 PolarHBondContact O-N 2.9Å; L460-V620 HydrophobicContact CD2-CB 4.41Å; L460-V620 HydrophobicContact CD2-CG1 4.43Å; L460-V620 HydrophobicContact CD2-CG2 3.18Å; L460-P626 HydrophobicContact CD1-CG 4.13Å; L460-P626 HydrophobicContact CD2-CG 4.04Å; L460-P626 HydrophobicContact CG-CG 4.12Å; L460-H772 HydrophobicContact CD1-CB 3.8Å; L460-A775 HydrophobicContact CB-CB 3.84Å; L460-Y776 HydrophobicContact CD2-CE2 4.12Å |
| 461 | F | 95.2 | Very high | 89.7 | Confident | 7 Ų | 7 | 26 Ų | 26 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 10.4 | 177.5 | -70.7 | -67.2 | 0 | 0 | 0 | 113.1 | R457 T459 Y463 D617 V620 P626 E657 R659 L679 | R457-F461 HydrophobicContact CB-CD2 4.32Å; R457-F461 WeakPolarHBondContact O-CB 3.47Å; R457-F461 VanDerWaalsContact O-CD2 3.26Å; R457-F461 WeakPolarHBondContact O-CD2 3.32Å; R457-F461 PolarHBondContact O-N 3.38Å; T459-F461 PolarHBondContact O-N 3.23Å; F461-Y463 HydrophobicContact CB-CD2 3.89Å; F461-Y463 HydrophobicContact CB-CE2 3.77Å; F461-Y463 PolarHBondContact O-N 2.93Å; F461-D617 HydrophobicContact CE1-CB 4.43Å; F461-D617 WeakPolarHBondContact CE1-OD2 3.35Å; F461-D617 HydrophobicContact CZ-CB 4.13Å; F461-V620 HydrophobicContact CE2-CG1 4Å; F461-V620 HydrophobicContact CZ-CG1 4.2Å; F461-P626 HydrophobicContact CE1-CB 3.97Å; F461-P626 HydrophobicContact CE1-CG 4.07Å; F461-P626 HydrophobicContact CZ-CB 4.13Å; F461-P626 HydrophobicContact CZ-CG 4.33Å; F461-E657 HydrophobicContact CD1-CB 3.8Å; F461-E657 HydrophobicContact CD1-CG 4.24Å; F461-E657 HydrophobicContact CE1-CB 4.22Å; F461-R659 PolarHBondContact O-NH1 3.35Å; F461-L679 HydrophobicContact CB-CD2 4.28Å; F461-L679 HydrophobicContact CD2-CD2 3.51Å; F461-L679 HydrophobicContact CE2-CD2 4.21Å; F461-L679 HydrophobicContact CG-CD2 4.23Å |
| 462 | H | 92.4 | Very high | 90.6 | Very high | 28 Ų | 28 | 23.9 Ų | 23.9 | 13% | 0.13 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 37.3 | 173.9 | -145.6 | 77.4 | 0 | 0 | 0 | 114.8 | L458 T459 L460 L501 R659 E789 | L458-H462 PolarHBondContact O-N 2.67Å; L458-H462 VanDerWaalsContact O-N 3.1Å; T459-H462 PolarHBondContact O-N 2.86Å; T459-H462 VanDerWaalsContact O-N 3.09Å; L460-H462 PolarHBondContact O-N 2.9Å; H462-L501 HydrophobicContact CB-CD2 3.91Å; H462-L501 HydrophobicContact CB-CG 4.19Å; H462-R659 PolarHBondContact O-NH1 3.39Å; H462-R659 PolarHBondContact O-NH2 3.39Å; H462-E789 IonicContact CD2-OE2 3.72Å; H462-E789 VanDerWaalsContact CE1-CD 3.49Å; H462-E789 IonicContact CE1-OE1 4Å; H462-E789 PolarHBondContact CE1-OE1 3.21Å; H462-E789 IonicContact CE1-OE2 3.92Å; H462-E789 PolarHBondContact CE1-OE2 3.43Å; H462-E789 VanDerWaalsContact NE2-CD 3.3Å; H462-E789 IonicContact NE2-OE1 3.38Å; H462-E789 PolarHBondContact NE2-OE1 3.12Å; H462-E789 IonicContact NE2-OE2 2.9Å; H462-E789 PolarHBondContact NE2-OE2 3.23Å |
| 463 | Y | 94 | Very high | 91.1 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | trans | -80 | 137.3 | 169.3 | -75.7 | -103.9 | 0 | 0 | 0 | 110.1 | L458 F461 T467 F468 I472 G656 R659 L679 V680 | L458-Y463 HydrophobicContact CD2-CD1 4.26Å; L458-Y463 HydrophobicContact CD2-CD2 3.9Å; L458-Y463 HydrophobicContact CD2-CE2 4.43Å; L458-Y463 HydrophobicContact CD2-CG 3.81Å; L458-Y463 PolarHBondContact O-N 2.81Å; F461-Y463 HydrophobicContact CB-CD2 3.89Å; F461-Y463 HydrophobicContact CB-CE2 3.77Å; F461-Y463 PolarHBondContact O-N 2.93Å; Y463-T467 HydrophobicContact CD1-CG2 3.92Å; Y463-T467 HydrophobicContact CE1-CG2 4.39Å; Y463-F468 AromaticContact CD1-CE1 3.85Å; Y463-F468 HydrophobicContact CD1-CE1 3.85Å; Y463-F468 HydrophobicContact CD1-CE2 4.21Å; Y463-F468 AromaticContact CD1-CZ 3.46Å; Y463-F468 HydrophobicContact CD1-CZ 3.46Å; Y463-F468 VanDerWaalsContact CD1-CZ 3.46Å; Y463-F468 HydrophobicContact CE1-CE1 4.34Å; Y463-F468 HydrophobicContact CE1-CZ 4.31Å; Y463-F468 HydrophobicContact CG-CZ 4.05Å; Y463-I472 HydrophobicContact CD1-CD1 4.42Å; Y463-I472 HydrophobicContact CE1-CD1 4.05Å; Y463-G656 WeakPolarHBondContact CE2-O 3.37Å; Y463-G656 PolarHBondContact OH-O 3.38Å; Y463-R659 HydrophobicContact CE1-CB 3.9Å; Y463-R659 VanDerWaalsContact CE1-CD 3.41Å; Y463-R659 HydrophobicContact CE1-CG 4.22Å; Y463-L679 HydrophobicContact CD2-CD2 4.32Å; Y463-L679 HydrophobicContact CE2-CD2 3.79Å; Y463-L679 HydrophobicContact CE2-CG 4.35Å; Y463-V680 HydrophobicContact CE1-CG2 4.31Å | ||
| 464 | T | 91.3 | Very high | 91.6 | Very high | 15 Ų | 15 | 22.9 Ų | 22.9 | 9% | 0.092 | 13% | 0.126 | C | C | . | . | trans | -126.7 | 170.3 | 178.7 | 69.6 | 0 | 0 | 0 | 0 | 110.8 | D466 T467 F468 I787 | T464-D466 PolarHBondContact O-N 2.94Å; T464-D466 PolarHBondContact OG1-N 3.44Å; T464-T467 PolarHBondContact N-OG1 2.82Å; T464-T467 VanDerWaalsContact O-CB 3.31Å; T464-T467 WeakPolarHBondContact O-CB 3.32Å; T464-T467 PolarHBondContact O-N 3Å; T464-T467 VanDerWaalsContact O-N 3.15Å; T464-T467 PolarHBondContact OG1-N 3.29Å; T464-T467 PolarHBondContact OG1-OG1 3.31Å; T464-T467 VanDerWaalsContact OG1-OG1 3.13Å; T464-F468 WeakPolarHBondContact O-CD2 3.41Å; T464-F468 PolarHBondContact O-N 2.84Å; T464-I787 WeakPolarHBondContact CG2-O 3.26Å | ||
| 465 | Q | 89.4 | Confident | 92.2 | Very high | 93 Ų | 93 | 21.2 Ų | 21.2 | 44% | 0.435 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -58.7 | -35.5 | 172.7 | -67.6 | -179.2 | -11.6 | 0 | 0 | 111.6 | T467 F468 G469 | Q465-T467 VanDerWaalsContact C-N 3.32Å; Q465-T467 PolarHBondContact O-N 2.99Å; Q465-F468 PolarHBondContact O-N 3.34Å; Q465-G469 PolarHBondContact O-N 3.46Å |
| 466 | D | 91.1 | Very high | 92.5 | Very high | 10 Ų | 10 | 21.2 Ų | 21.2 | 5% | 0.053 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 177.5 | -70.5 | 3.9 | 0 | 0 | 0 | 110.8 | T464 F468 I470 S788 Y792 R795 | T464-D466 PolarHBondContact O-N 2.94Å; T464-D466 PolarHBondContact OG1-N 3.44Å; D466-F468 VanDerWaalsContact C-N 3.28Å; D466-F468 PolarHBondContact O-N 3.49Å; D466-I470 HydrophobicContact CB-CD1 3.87Å; D466-I470 VanDerWaalsContact O-CB 3.23Å; D466-I470 WeakPolarHBondContact O-CB 3.43Å; D466-I470 PolarHBondContact O-N 2.91Å; D466-S788 PolarHBondContact N-OG 3.36Å; D466-S788 VanDerWaalsContact N-OG 3.11Å; D466-S788 WeakPolarHBondContact OD1-CB 3.48Å; D466-S788 PolarHBondContact OD1-OG 3.07Å; D466-Y792 HydrophobicContact CB-CD2 4.24Å; D466-R795 IonicContact OD1-CZ 3.38Å; D466-R795 IonicContact OD1-NE 2.72Å; D466-R795 IonicContact OD1-NH2 2.75Å; D466-R795 PolarHBondContact OD1-NH2 3.2Å; D466-R795 IonicContact OD2-NE 2.74Å; D466-R795 IonicContact OD2-NH2 4Å |
| 467 | T | 91.5 | Very high | 92.7 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 3% | 0.025 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -56 | -43.4 | 176.1 | -50.1 | 0 | 0 | 0 | 0 | 111.7 | Y463 T464 Q465 L471 I472 R659 | Y463-T467 HydrophobicContact CD1-CG2 3.92Å; Y463-T467 HydrophobicContact CE1-CG2 4.39Å; T464-T467 PolarHBondContact N-OG1 2.82Å; T464-T467 VanDerWaalsContact O-CB 3.31Å; T464-T467 WeakPolarHBondContact O-CB 3.32Å; T464-T467 PolarHBondContact O-N 3Å; T464-T467 VanDerWaalsContact O-N 3.15Å; T464-T467 PolarHBondContact OG1-N 3.29Å; T464-T467 PolarHBondContact OG1-OG1 3.31Å; T464-T467 VanDerWaalsContact OG1-OG1 3.13Å; Q465-T467 VanDerWaalsContact C-N 3.32Å; Q465-T467 PolarHBondContact O-N 2.99Å; T467-L471 HydrophobicContact CG2-CD1 4.45Å; T467-L471 VanDerWaalsContact O-CB 3.31Å; T467-L471 WeakPolarHBondContact O-CB 3.36Å; T467-L471 PolarHBondContact O-N 3.42Å; T467-I472 HydrophobicContact CG2-CD1 3.92Å; T467-I472 HydrophobicContact CG2-CG1 4.43Å; T467-I472 PolarHBondContact O-N 3.05Å; T467-R659 HydrophobicContact CG2-CG 3.95Å |
| 468 | F | 91 | Very high | 92.7 | Very high | 11 Ų | 11 | 26.4 Ų | 26.4 | 5% | 0.048 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -76.3 | -53.2 | 179.4 | -61.5 | -66.6 | 0 | 0 | 0 | 112.2 | L458 Y463 T464 Q465 D466 I472 V473 T683 L687 L786 | L458-F468 HydrophobicContact CD1-CE2 4.43Å; L458-F468 HydrophobicContact CD1-CZ 4.18Å; L458-F468 HydrophobicContact CD2-CZ 4.18Å; Y463-F468 AromaticContact CD1-CE1 3.85Å; Y463-F468 HydrophobicContact CD1-CE1 3.85Å; Y463-F468 HydrophobicContact CD1-CE2 4.21Å; Y463-F468 AromaticContact CD1-CZ 3.46Å; Y463-F468 HydrophobicContact CD1-CZ 3.46Å; Y463-F468 VanDerWaalsContact CD1-CZ 3.46Å; Y463-F468 HydrophobicContact CE1-CE1 4.34Å; Y463-F468 HydrophobicContact CE1-CZ 4.31Å; Y463-F468 HydrophobicContact CG-CZ 4.05Å; T464-F468 WeakPolarHBondContact O-CD2 3.41Å; T464-F468 PolarHBondContact O-N 2.84Å; Q465-F468 PolarHBondContact O-N 3.34Å; D466-F468 VanDerWaalsContact C-N 3.28Å; D466-F468 PolarHBondContact O-N 3.49Å; F468-I472 HydrophobicContact CD1-CD1 3.82Å; F468-I472 HydrophobicContact CE1-CD1 3.88Å; F468-I472 PolarHBondContact O-N 3.12Å; F468-V473 WeakPolarHBondContact O-CB 3.42Å; F468-V473 WeakPolarHBondContact O-CG2 3.33Å; F468-V473 PolarHBondContact O-N 2.75Å; F468-T683 HydrophobicContact CD1-CG2 4.26Å; F468-T683 HydrophobicContact CE1-CG2 3.39Å; F468-T683 HydrophobicContact CE2-CG2 4.4Å; F468-T683 HydrophobicContact CZ-CG2 3.49Å; F468-T683 VanDerWaalsContact CZ-CG2 3.49Å; F468-L687 HydrophobicContact CD1-CD1 4.19Å; F468-L786 HydrophobicContact CE2-CD1 4.08Å |
| 469 | G | 89.4 | Confident | 92.7 | Very high | 50 Ų | 50 | 29.6 Ų | 29.6 | 52% | 0.515 | 16% | 0.155 | S | C | . | . | I | π-helix | trans | -69.6 | -38.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114 | Q465 P474 | Q465-G469 PolarHBondContact O-N 3.46Å; G469-P474 WeakPolarHBondContact O-CD 3.33Å; G469-P474 WeakPolarHBondContact O-CG 3.39Å |
| 470 | I | 92.2 | Very high | 92.7 | Very high | 27 Ų | 27 | 32.5 Ų | 32.5 | 14% | 0.138 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -91.5 | -32 | -174.8 | -55.9 | 174.8 | 0 | 0 | 0 | 111.5 | D466 P474 A482 Y792 Y793 W1049 | D466-I470 HydrophobicContact CB-CD1 3.87Å; D466-I470 VanDerWaalsContact O-CB 3.23Å; D466-I470 WeakPolarHBondContact O-CB 3.43Å; D466-I470 PolarHBondContact O-N 2.91Å; I470-P474 WeakPolarHBondContact O-CG 3.43Å; I470-A482 WeakPolarHBondContact O-CB 3.47Å; I470-Y792 HydrophobicContact CD1-CD2 4.35Å; I470-Y792 HydrophobicContact CD1-CG 4.37Å; I470-Y793 HydrophobicContact CD1-CD2 3.85Å; I470-Y793 HydrophobicContact CD1-CE2 3.57Å; I470-Y793 HydrophobicContact CG1-CE2 4.44Å; I470-W1049 HydrophobicContact CG2-CZ2 4.25Å |
| 471 | L | 93 | Very high | 92.6 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -113.8 | -64.7 | -169 | -45.4 | 169.3 | 0 | 0 | 0 | 112.3 | T467 P474 M475 E660 Y792 W1049 | T467-L471 HydrophobicContact CG2-CD1 4.45Å; T467-L471 VanDerWaalsContact O-CB 3.31Å; T467-L471 WeakPolarHBondContact O-CB 3.36Å; T467-L471 PolarHBondContact O-N 3.42Å; L471-P474 WeakPolarHBondContact O-CD 3.39Å; L471-M475 HydrophobicContact CB-CE 4.3Å; L471-M475 WeakPolarHBondContact O-CE 3.28Å; L471-M475 WeakPolarHBondContact O-CG 3.48Å; L471-M475 PolarHBondContact O-N 3.16Å; L471-E660 VanDerWaalsContact CD1-CD 3.43Å; L471-E660 HydrophobicContact CD1-CG 3.69Å; L471-Y792 HydrophobicContact CD1-CE1 4.47Å; L471-Y792 HydrophobicContact CD1-CE2 4.01Å; L471-Y792 WeakPolarHBondContact CD1-OH 3.44Å; L471-Y792 HydrophobicContact CD2-CE1 4.07Å; L471-W1049 HydrophobicContact CD2-CB 4.1Å; L471-W1049 HydrophobicContact CD2-CG 4.17Å |
| 472 | I | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -71.4 | -51.3 | -167.6 | -60.7 | 172.3 | 0 | 0 | 0 | 111.8 | Y463 T467 F468 M475 I476 R659 V680 L684 | Y463-I472 HydrophobicContact CD1-CD1 4.42Å; Y463-I472 HydrophobicContact CE1-CD1 4.05Å; T467-I472 HydrophobicContact CG2-CD1 3.92Å; T467-I472 HydrophobicContact CG2-CG1 4.43Å; T467-I472 PolarHBondContact O-N 3.05Å; F468-I472 HydrophobicContact CD1-CD1 3.82Å; F468-I472 HydrophobicContact CE1-CD1 3.88Å; F468-I472 PolarHBondContact O-N 3.12Å; I472-M475 HydrophobicContact CG1-CE 4.36Å; I472-M475 WeakPolarHBondContact O-CB 3.41Å; I472-M475 PolarHBondContact O-N 3.11Å; I472-I476 PolarHBondContact O-N 3.45Å; I472-R659 HydrophobicContact CD1-CB 4.2Å; I472-V680 HydrophobicContact CD1-CG1 4.44Å; I472-V680 HydrophobicContact CD1-CG2 4.39Å; I472-V680 HydrophobicContact CG2-CG1 4.04Å; I472-L684 HydrophobicContact CG2-CD1 3.86Å; I472-L684 HydrophobicContact CG2-CD2 3.85Å; I472-L684 HydrophobicContact CG2-CG 4.12Å |
| 473 | V | 93.9 | Very high | 92.3 | Very high | 38 Ų | 38 | 36.3 Ų | 36.3 | 23% | 0.23 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.5 | -43.6 | -177.6 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | F468 M475 I476 R477 L693 | F468-V473 WeakPolarHBondContact O-CB 3.42Å; F468-V473 WeakPolarHBondContact O-CG2 3.33Å; F468-V473 PolarHBondContact O-N 2.75Å; V473-M475 VanDerWaalsContact C-N 3.3Å; V473-M475 PolarHBondContact O-N 3.39Å; V473-I476 PolarHBondContact O-N 2.99Å; V473-I476 VanDerWaalsContact O-N 3.11Å; V473-R477 PolarHBondContact O-N 3.45Å; V473-L693 HydrophobicContact CG1-CD2 4.27Å; V473-L693 HydrophobicContact CG2-CD2 3.99Å |
| 474 | P | 93.7 | Very high | 92.2 | Very high | 11 Ų | 11 | 36.5 Ų | 36.5 | 7% | 0.071 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.9 | -36 | 172.5 | -30.2 | 39.4 | 0 | 0 | 0 | 114.4 | G469 I470 L471 I476 R477 D478 A482 | G469-P474 WeakPolarHBondContact O-CD 3.33Å; G469-P474 WeakPolarHBondContact O-CG 3.39Å; I470-P474 WeakPolarHBondContact O-CG 3.43Å; L471-P474 WeakPolarHBondContact O-CD 3.39Å; P474-I476 VanDerWaalsContact C-N 3.28Å; P474-I476 PolarHBondContact O-N 2.79Å; P474-R477 PolarHBondContact O-N 3.48Å; P474-D478 WeakPolarHBondContact O-CB 3.49Å; P474-D478 PolarHBondContact O-N 3.43Å; P474-A482 HydrophobicContact CB-CB 3.9Å; P474-A482 HydrophobicContact CG-CB 4.22Å |
| 475 | M | 95 | Very high | 92.3 | Very high | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -36.2 | 175 | -75 | -172.3 | -82.8 | 0 | 0 | 112.1 | L471 I472 V473 K479 K480 I661 F706 A709 | L471-M475 HydrophobicContact CB-CE 4.3Å; L471-M475 WeakPolarHBondContact O-CE 3.28Å; L471-M475 WeakPolarHBondContact O-CG 3.48Å; L471-M475 PolarHBondContact O-N 3.16Å; I472-M475 HydrophobicContact CG1-CE 4.36Å; I472-M475 WeakPolarHBondContact O-CB 3.41Å; I472-M475 PolarHBondContact O-N 3.11Å; V473-M475 VanDerWaalsContact C-N 3.3Å; V473-M475 PolarHBondContact O-N 3.39Å; M475-K479 VanDerWaalsContact O-CA 3.25Å; M475-K479 WeakPolarHBondContact O-CA 3.46Å; M475-K479 PolarHBondContact O-N 2.94Å; M475-K480 WeakPolarHBondContact CA-O 3.31Å; M475-I661 HydrophobicContact SD-CD1 4.01Å; M475-I661 HydrophobicContact SD-CG1 4.32Å; M475-F706 HydrophobicContact CB-CD2 4.48Å; M475-F706 HydrophobicContact CE-CE2 4.18Å; M475-F706 HydrophobicContact SD-CE2 4.41Å; M475-A709 HydrophobicContact CB-CB 3.67Å; M475-A709 HydrophobicContact CG-CB 3.86Å; M475-A709 HydrophobicContact SD-CB 4.35Å |
| 476 | I | 94.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72.6 | -45 | 175.2 | -52.9 | -49.6 | 0 | 0 | 0 | 111.5 | I472 V473 P474 L684 F697 I702 N705 F706 | I472-I476 PolarHBondContact O-N 3.45Å; V473-I476 PolarHBondContact O-N 2.99Å; V473-I476 VanDerWaalsContact O-N 3.11Å; P474-I476 VanDerWaalsContact C-N 3.28Å; P474-I476 PolarHBondContact O-N 2.79Å; I476-L684 HydrophobicContact CD1-CD1 3.89Å; I476-L684 HydrophobicContact CG1-CD1 4.09Å; I476-L684 HydrophobicContact CG1-CD2 4.12Å; I476-F697 HydrophobicContact CG2-CD2 3.93Å; I476-F697 HydrophobicContact CG2-CE2 3.96Å; I476-F697 HydrophobicContact CG2-CG 4.35Å; I476-F697 HydrophobicContact CG2-CZ 4.38Å; I476-I702 HydrophobicContact CD1-CG2 3.94Å; I476-I702 WeakPolarHBondContact CD1-O 3.25Å; I476-I702 HydrophobicContact CG1-CG2 4.38Å; I476-I702 HydrophobicContact CG2-CG1 4.18Å; I476-N705 HydrophobicContact CG2-CB 4.33Å; I476-N705 VanDerWaalsContact O-CB 3.28Å; I476-N705 WeakPolarHBondContact O-CB 3.47Å; I476-N705 PolarHBondContact O-ND2 2.77Å; I476-F706 HydrophobicContact CD1-CB 3.5Å; I476-F706 HydrophobicContact CD1-CD2 3.9Å; I476-F706 HydrophobicContact CD1-CG 4.17Å |
| 477 | R | 93.2 | Very high | 92.5 | Very high | 134 Ų | 134 | 39.6 Ų | 39.6 | 51% | 0.506 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -70.5 | -48.7 | -174.8 | -170.6 | -172.3 | 67.3 | -157.5 | -8.4 | 112.4 | V473 P474 | V473-R477 PolarHBondContact O-N 3.45Å; P474-R477 PolarHBondContact O-N 3.48Å |
| 478 | D | 91.9 | Very high | 92.6 | Very high | 64 Ų | 64 | 40.2 Ų | 40.2 | 34% | 0.342 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -102.4 | -3.3 | -168.2 | -56.3 | -29.3 | 0 | 0 | 0 | 112.6 | P474 K480 | P474-D478 WeakPolarHBondContact O-CB 3.49Å; P474-D478 PolarHBondContact O-N 3.43Å; D478-K480 HydrophobicContact CB-CG 3.93Å; D478-K480 PolarHBondContact O-N 2.98Å |
| 479 | K | 93.9 | Very high | 92.8 | Very high | 68 Ų | 68 | 40.7 Ų | 40.7 | 30% | 0.296 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 53.1 | 32.6 | -174.4 | -47.9 | -169.5 | -170.7 | -138.9 | 0 | 112.6 | M475 N705 D708 R712 | M475-K479 VanDerWaalsContact O-CA 3.25Å; M475-K479 WeakPolarHBondContact O-CA 3.46Å; M475-K479 PolarHBondContact O-N 2.94Å; K479-N705 WeakPolarHBondContact CE-OD1 3.17Å; K479-N705 HydrophobicContact CG-CB 4.11Å; K479-N705 PolarHBondContact NZ-OD1 3.16Å; K479-D708 HydrophobicContact CB-CB 4.3Å; K479-R712 WeakPolarHBondContact O-CD 3.33Å; K479-R712 PolarHBondContact O-NH1 2.94Å |
| 480 | K | 91.9 | Very high | 93 | Very high | 99 Ų | 99 | 38.8 Ų | 38.8 | 43% | 0.43 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -158.3 | 158.3 | 178.5 | 65 | 178.9 | -177.9 | 173.6 | 0 | 110.1 | M475 D478 | M475-K480 WeakPolarHBondContact CA-O 3.31Å; D478-K480 HydrophobicContact CB-CG 3.93Å; D478-K480 PolarHBondContact O-N 2.98Å |
| 481 | E | 91.4 | Very high | 93.1 | Very high | 22 Ų | 22 | 38 Ų | 38 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 148 | 171.5 | 65.5 | -178.8 | 171.4 | 0 | 0 | 111.7 | I661 K716 S1048 T1050 | E481-I661 HydrophobicContact CB-CG1 4.45Å; E481-K716 WeakPolarHBondContact OE1-CD 3.49Å; E481-K716 IonicContact OE1-NZ 3.72Å; E481-K716 PolarHBondContact OE1-NZ 2.83Å; E481-S1048 WeakPolarHBondContact OE1-CB 3.26Å; E481-S1048 PolarHBondContact OE1-OG 2.85Å; E481-T1050 VanDerWaalsContact OE2-CB 3.3Å; E481-T1050 WeakPolarHBondContact OE2-CB 3.49Å; E481-T1050 PolarHBondContact OE2-OG1 3.05Å |
| 482 | A | 90.5 | Very high | 93.2 | Very high | 21 Ų | 21 | 38.3 Ų | 38.3 | 17% | 0.174 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -69.6 | 149.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I470 P474 W1049 | I470-A482 WeakPolarHBondContact O-CB 3.47Å; P474-A482 HydrophobicContact CB-CB 3.9Å; P474-A482 HydrophobicContact CG-CB 4.22Å; A482-W1049 PolarHBondContact O-N 3.13Å |
| 483 | L | 90.4 | Very high | 93.2 | Very high | 74 Ų | 74 | 39 Ų | 39 | 39% | 0.387 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 137 | 172.1 | -59.3 | 177.8 | 0 | 0 | 0 | 109.9 | E957 S1047 | L483-E957 WeakPolarHBondContact CD1-OE1 3.32Å; L483-S1047 CarbonylContact C-O 3.58Å; L483-S1047 WeakPolarHBondContact CA-O 3.3Å |
| 484 | G | 92 | Very high | 93.1 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | -173.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1046 S1047 | G484-A1046 WeakPolarHBondContact O-CA 3.43Å; G484-S1047 CarbonylContact C-O 3.57Å; G484-S1047 PolarHBondContact N-O 3.17Å; G484-S1047 PolarHBondContact O-N 3.39Å; G484-S1047 VanDerWaalsContact O-O 3.05Å |
| 485 | S | 92.7 | Very high | 93.2 | Very high | 63 Ų | 63 | 40.6 Ų | 40.6 | 44% | 0.441 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 178.7 | 177.5 | 64.8 | 0 | 0 | 0 | 0 | 110.3 | G1045 | S485-G1045 WeakPolarHBondContact CB-O 3.46Å |
| 486 | M | 93.3 | Very high | 93.1 | Very high | 114 Ų | 114 | 41.2 Ų | 41.2 | 56% | 0.562 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 64.7 | -168.2 | -171 | -59.1 | -62.4 | -72.4 | 0 | 0 | 112.5 | T1044 | M486-T1044 PolarHBondContact N-O 3.22Å; M486-T1044 WeakPolarHBondContact O-CG2 3.44Å; M486-T1044 PolarHBondContact O-N 3.42Å; M486-T1044 VanDerWaalsContact O-N 3.11Å |
| 487 | G | 92.1 | Very high | 92.8 | Very high | 7 Ų | 7 | 46 Ų | 46 | 7% | 0.072 | 24% | 0.241 | C | C | . | . | trans | -107.4 | 170.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111 | D489 G1042 | G487-D489 PolarHBondContact O-N 3.17Å; G487-G1042 VanDerWaalsContact CA-O 3.3Å; G487-G1042 WeakPolarHBondContact CA-O 3.48Å | ||
| 488 | N | 94.5 | Very high | 92.6 | Very high | 16 Ų | 16 | 42.3 Ų | 42.3 | 9% | 0.086 | 23% | 0.228 | C | C | . | . | trans | -76.4 | 107.2 | 170.1 | -171.3 | 17.2 | 0 | 0 | 0 | 110.1 | A490 D1041 I1052 K1053 | N488-A490 PolarHBondContact OD1-N 2.67Å; N488-D1041 WeakPolarHBondContact O-CA 3.47Å; N488-D1041 WeakPolarHBondContact O-CB 3.32Å; N488-I1052 HydrophobicContact CB-CG2 4.34Å; N488-I1052 WeakPolarHBondContact CB-O 3.39Å; N488-K1053 HydrophobicContact CB-CD 4.29Å; N488-K1053 WeakPolarHBondContact OD1-CD 3.46Å; N488-K1053 PolarHBondContact OD1-NZ 2.9Å | ||
| 489 | D | 94.1 | Very high | 92.5 | Very high | 21 Ų | 21 | 39.3 Ų | 39.3 | 11% | 0.112 | 21% | 0.213 | C | C | . | . | trans | -110.9 | 1.3 | 178.2 | 65.2 | -18.7 | 0 | 0 | 0 | 113.5 | G487 H801 L802 N803 | G487-D489 PolarHBondContact O-N 3.17Å; D489-H801 VanDerWaalsContact CG-ND1 3.32Å; D489-H801 CarbonylContact O-C 3.42Å; D489-H801 VanDerWaalsContact O-CA 3.22Å; D489-H801 WeakPolarHBondContact O-CA 3.16Å; D489-H801 IonicContact OD1-CE1 3.93Å; D489-H801 IonicContact OD1-CG 3.98Å; D489-H801 IonicContact OD1-ND1 3.02Å; D489-H801 PolarHBondContact OD1-ND1 3.44Å; D489-H801 IonicContact OD2-ND1 2.8Å; D489-L802 HydrophobicContact CB-CB 4.02Å; D489-L802 PolarHBondContact O-N 2.76Å; D489-N803 WeakPolarHBondContact CB-ND2 3.46Å; D489-N803 VanDerWaalsContact OD2-CB 3.26Å; D489-N803 WeakPolarHBondContact OD2-CB 3.46Å; D489-N803 PolarHBondContact OD2-N 2.93Å; D489-N803 PolarHBondContact OD2-ND2 3.43Å | ||
| 490 | A | 94.1 | Very high | 92.4 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 8% | 0.083 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -68.9 | 161.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N488 E799 K800 | N488-A490 PolarHBondContact OD1-N 2.67Å; A490-E799 HydrophobicContact CB-CG 4.29Å; A490-K800 CarbonylContact C-O 3.42Å; A490-K800 WeakPolarHBondContact CA-O 3.42Å |
| 491 | A | 94.3 | Very high | 92.5 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 10% | 0.099 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 145 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K800 C837 | A491-K800 PolarHBondContact N-O 3.43Å; A491-C837 HydrophobicContact CB-CB 4.29Å |
| 492 | L | 94.5 | Very high | 92.8 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 149.3 | 167.9 | -67.2 | 174 | 0 | 0 | 0 | 110 | C494 L495 S496 C837 I839 P1058 | L492-C494 PolarHBondContact O-N 3.21Å; L492-C494 VanDerWaalsContact O-N 3.14Å; L492-L495 HydrophobicContact CB-CD1 4.26Å; L492-L495 HydrophobicContact CB-CG 4.34Å; L492-L495 HydrophobicContact CD1-CD1 4.29Å; L492-L495 CarbonylContact O-C 3.46Å; L492-L495 WeakPolarHBondContact O-CA 3.49Å; L492-L495 PolarHBondContact O-N 2.76Å; L492-S496 PolarHBondContact O-N 2.87Å; L492-C837 PolarHBondContact N-O 3.35Å; L492-I839 HydrophobicContact CD1-CD1 4.24Å; L492-I839 HydrophobicContact CD1-CG1 3.68Å; L492-P1058 HydrophobicContact CD1-CG 3.76Å; L492-P1058 HydrophobicContact CD2-CG 3.88Å; L492-P1058 HydrophobicContact CG-CG 4.46Å |
| 493 | A | 94.2 | Very high | 93.1 | Very high | 16 Ų | 16 | 31.6 Ų | 31.6 | 13% | 0.132 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -54.4 | -41.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L495 S496 P500 Y505 | A493-L495 PolarHBondContact O-N 3.01Å; A493-S496 PolarHBondContact O-N 3.4Å; A493-P500 HydrophobicContact CB-CB 4.5Å; A493-P500 HydrophobicContact CB-CG 3.7Å; A493-P500 WeakPolarHBondContact O-CG 3.29Å; A493-Y505 HydrophobicContact CB-CD1 4.02Å; A493-Y505 HydrophobicContact CB-CD2 3.89Å; A493-Y505 HydrophobicContact CB-CE1 4.08Å; A493-Y505 HydrophobicContact CB-CE2 3.96Å; A493-Y505 HydrophobicContact CB-CG 3.94Å |
| 494 | C | 93.3 | Very high | 93.4 | Very high | 40 Ų | 40 | 29.1 Ų | 29.1 | 27% | 0.27 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -73.7 | -6.7 | 176.9 | 58 | 0 | 0 | 0 | 0 | 115.7 | L492 Y505 | L492-C494 PolarHBondContact O-N 3.21Å; L492-C494 VanDerWaalsContact O-N 3.14Å; C494-Y505 HydrophobicContact CB-CE1 3.92Å |
| 495 | L | 94.4 | Very high | 93.6 | Very high | 42 Ų | 42 | 28.9 Ų | 28.9 | 22% | 0.22 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -112.1 | -8.6 | 177.3 | -60.8 | 178.4 | 0 | 0 | 0 | 112.4 | L492 A493 W836 Q842 | L492-L495 HydrophobicContact CB-CD1 4.26Å; L492-L495 HydrophobicContact CB-CG 4.34Å; L492-L495 HydrophobicContact CD1-CD1 4.29Å; L492-L495 CarbonylContact O-C 3.46Å; L492-L495 WeakPolarHBondContact O-CA 3.49Å; L492-L495 PolarHBondContact O-N 2.76Å; A493-L495 PolarHBondContact O-N 3.01Å; L495-W836 WeakPolarHBondContact CB-O 3.45Å; L495-Q842 HydrophobicContact CD2-CG 4.11Å |
| 496 | S | 93.7 | Very high | 93.9 | Very high | 17 Ų | 17 | 25.9 Ų | 25.9 | 12% | 0.119 | 15% | 0.146 | C | C | . | . | trans | -68.9 | 135 | 178 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | L492 A493 Y498 E799 | L492-S496 PolarHBondContact O-N 2.87Å; A493-S496 PolarHBondContact O-N 3.4Å; S496-Y498 VanDerWaalsContact C-N 3.31Å; S496-Y498 PolarHBondContact OG-N 3.28Å; S496-Y498 VanDerWaalsContact OG-N 3.16Å; S496-E799 VanDerWaalsContact CB-OE2 3.25Å; S496-E799 WeakPolarHBondContact CB-OE2 3.36Å; S496-E799 PolarHBondContact OG-OE2 3.03Å | ||
| 497 | E | 89.3 | Confident | 94 | Very high | 101 Ų | 101 | 21.3 Ų | 21.3 | 47% | 0.472 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -82.1 | -14.6 | 174.2 | -62.7 | -176.5 | 155.6 | 0 | 0 | 112.1 | R770 W836 | E497-R770 PolarHBondContact O-NH1 3.2Å; E497-R770 PolarHBondContact O-NH2 3.46Å; E497-W836 VanDerWaalsContact OE1-CZ3 3.32Å; E497-W836 WeakPolarHBondContact OE1-CZ3 3.22Å |
| 498 | Y | 89.3 | Confident | 94.3 | Very high | 57 Ų | 57 | 21.2 Ų | 21.2 | 22% | 0.224 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -86.8 | -7.8 | -174.5 | -67.4 | -88.7 | 0 | 0 | 0 | 113.6 | S496 R770 E789 G797 G798 E799 | S496-Y498 VanDerWaalsContact C-N 3.31Å; S496-Y498 PolarHBondContact OG-N 3.28Å; S496-Y498 VanDerWaalsContact OG-N 3.16Å; Y498-R770 PolarHBondContact O-NH2 3.37Å; Y498-E789 HydrophobicContact CD1-CB 4.22Å; Y498-E789 HydrophobicContact CD1-CG 3.84Å; Y498-E789 WeakPolarHBondContact CD1-OE1 3.44Å; Y498-E789 HydrophobicContact CE1-CG 4.37Å; Y498-E789 HydrophobicContact CG-CG 4.43Å; Y498-G797 PolarHBondContact OH-O 3.22Å; Y498-G798 VanDerWaalsContact CZ-C 3.47Å; Y498-G798 WeakPolarHBondContact OH-CA 3.42Å; Y498-G798 PolarHBondContact OH-O 3.36Å; Y498-G798 VanDerWaalsContact OH-O 3.07Å; Y498-E799 HydrophobicContact CD2-CB 4.28Å; Y498-E799 VanDerWaalsContact CE2-CA 3.49Å; Y498-E799 HydrophobicContact CE2-CB 4.42Å |
| 499 | G | 87.7 | Confident | 94.4 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | trans | 68 | 74.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | R771 | G499-R771 PolarHBondContact O-NH1 2.85Š| ||
| 500 | P | 92.5 | Very high | 94.5 | Very high | 27 Ų | 27 | 20.7 Ų | 20.7 | 18% | 0.175 | 12% | 0.118 | C | C | . | . | trans | -66.3 | 161.1 | -175.8 | 27.8 | -33.7 | 0 | 0 | 0 | 111.5 | A493 Y505 | A493-P500 HydrophobicContact CB-CB 4.5Å; A493-P500 HydrophobicContact CB-CG 3.7Å; A493-P500 WeakPolarHBondContact O-CG 3.29Å; P500-Y505 HydrophobicContact CG-CE2 4.14Å | ||
| 501 | L | 95.1 | Very high | 94.5 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 6% | 0.063 | 12% | 0.116 | C | C | . | . | trans | -62.8 | 151.7 | 170.3 | -63.7 | -179.1 | 0 | 0 | 0 | 110.8 | H462 Y503 G504 E657 | H462-L501 HydrophobicContact CB-CD2 3.91Å; H462-L501 HydrophobicContact CB-CG 4.19Å; L501-Y503 HydrophobicContact CB-CD2 3.99Å; L501-Y503 HydrophobicContact CD1-CD2 4.3Å; L501-Y503 PolarHBondContact O-N 3.28Å; L501-G504 PolarHBondContact O-N 2.87Å; L501-E657 HydrophobicContact CD1-CG 3.99Å; L501-E657 HydrophobicContact CD2-CG 4.04Å | ||
| 502 | L | 96.7 | Very high | 94.4 | Very high | 8 Ų | 8 | 20.1 Ų | 20.1 | 4% | 0.042 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -57.4 | -28.6 | -175.2 | -175.9 | 61.1 | 0 | 0 | 0 | 113 | G504 Y505 F506 L630 L631 L740 F749 L764 | L502-G504 PolarHBondContact O-N 3.32Å; L502-Y505 HydrophobicContact CD1-CD2 4.06Å; L502-Y505 HydrophobicContact CD1-CG 4.49Å; L502-Y505 WeakPolarHBondContact O-CB 3.42Å; L502-Y505 PolarHBondContact O-N 3.28Å; L502-Y505 VanDerWaalsContact O-N 3.15Å; L502-F506 HydrophobicContact CD1-CE2 4.41Å; L502-F506 HydrophobicContact CG-CE2 4.14Å; L502-F506 WeakPolarHBondContact O-CD2 3.32Å; L502-L630 HydrophobicContact CB-CD2 4.47Å; L502-L630 HydrophobicContact CD2-CB 4.27Å; L502-L630 HydrophobicContact CD2-CD2 4.08Å; L502-L630 HydrophobicContact CD2-CG 4.16Å; L502-L630 HydrophobicContact CG-CD2 4.01Å; L502-L631 HydrophobicContact CD2-CD1 4.23Å; L502-L631 HydrophobicContact CD2-CD2 3.59Å; L502-L631 HydrophobicContact CD2-CG 3.44Å; L502-L631 VanDerWaalsContact CD2-CG 3.44Å; L502-L740 HydrophobicContact CD1-CD1 4.07Å; L502-L740 HydrophobicContact CD1-CD2 3.75Å; L502-F749 HydrophobicContact CD2-CE2 4.35Å; L502-F749 HydrophobicContact CD2-CZ 4.07Å; L502-L764 HydrophobicContact CD1-CD1 4.17Å; L502-L764 HydrophobicContact CD1-CD2 4.01Å |
| 503 | Y | 97.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -54.4 | -34.9 | 174.1 | -53.9 | -72.7 | 0 | 0 | 0 | 112.9 | L501 Y505 F506 L630 E657 H662 H663 V666 L667 | L501-Y503 HydrophobicContact CB-CD2 3.99Å; L501-Y503 HydrophobicContact CD1-CD2 4.3Å; L501-Y503 PolarHBondContact O-N 3.28Å; Y503-Y505 PolarHBondContact O-N 2.83Å; Y503-Y505 VanDerWaalsContact O-N 3.12Å; Y503-F506 PolarHBondContact O-N 3.03Å; Y503-L630 HydrophobicContact CD1-CD2 3.82Å; Y503-L630 HydrophobicContact CE1-CB 3.87Å; Y503-L630 HydrophobicContact CE1-CD2 3.99Å; Y503-L630 HydrophobicContact CE1-CG 4.43Å; Y503-E657 HydrophobicContact CE2-CB 4.47Å; Y503-E657 VanDerWaalsContact CE2-CD 3.45Å; Y503-E657 HydrophobicContact CE2-CG 3.81Å; Y503-E657 WeakPolarHBondContact CE2-OE1 3.25Å; Y503-H662 PolarHBondContact O-NE2 3.16Å; Y503-H662 VanDerWaalsContact O-NE2 3.12Å; Y503-H663 VanDerWaalsContact CB-CD2 3.48Å; Y503-H663 WeakPolarHBondContact CB-CD2 3.39Å; Y503-H663 HydrophobicContact CD1-CB 3.95Å; Y503-H663 HydrophobicContact CD2-CB 4.16Å; Y503-H663 AromaticContact CD2-CD2 3.57Å; Y503-H663 AromaticContact CD2-CE1 3.86Å; Y503-H663 AromaticContact CD2-CG 3.58Å; Y503-H663 AromaticContact CD2-ND1 3.74Å; Y503-H663 AromaticContact CD2-NE2 3.77Å; Y503-H663 HydrophobicContact CE1-CB 3.94Å; Y503-H663 HydrophobicContact CE2-CB 4.16Å; Y503-H663 AromaticContact CE2-CG 3.91Å; Y503-H663 AromaticContact CE2-ND1 3.92Å; Y503-H663 HydrophobicContact CG-CB 4.07Å; Y503-H663 AromaticContact CG-CD2 3.44Å; Y503-H663 VanDerWaalsContact CG-CD2 3.44Å; Y503-H663 AromaticContact CG-CG 3.71Å; Y503-H663 AromaticContact CG-NE2 3.98Å; Y503-V666 HydrophobicContact CD1-CB 4.01Å; Y503-V666 HydrophobicContact CD1-CG1 4.06Å; Y503-L667 HydrophobicContact CE1-CD2 4.29Å; Y503-L667 HydrophobicContact CE1-CG 4Å |
| 504 | G | 95.4 | Very high | 93.9 | Very high | 21 Ų | 21 | 20.3 Ų | 20.3 | 22% | 0.216 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -63 | -18.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L501 L502 F506 Q507 | L501-G504 PolarHBondContact O-N 2.87Å; L502-G504 PolarHBondContact O-N 3.32Å; G504-F506 VanDerWaalsContact C-N 3.34Å; G504-Q507 PolarHBondContact O-NE2 3.07Å |
| 505 | Y | 97.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -80.3 | -15.7 | 176.7 | -68 | -97.8 | 0 | 0 | 0 | 113.1 | A493 C494 P500 L502 Y503 A737 V738 G739 L740 A759 E767 | A493-Y505 HydrophobicContact CB-CD1 4.02Å; A493-Y505 HydrophobicContact CB-CD2 3.89Å; A493-Y505 HydrophobicContact CB-CE1 4.08Å; A493-Y505 HydrophobicContact CB-CE2 3.96Å; A493-Y505 HydrophobicContact CB-CG 3.94Å; C494-Y505 HydrophobicContact CB-CE1 3.92Å; P500-Y505 HydrophobicContact CG-CE2 4.14Å; L502-Y505 HydrophobicContact CD1-CD2 4.06Å; L502-Y505 HydrophobicContact CD1-CG 4.49Å; L502-Y505 WeakPolarHBondContact O-CB 3.42Å; L502-Y505 PolarHBondContact O-N 3.28Å; L502-Y505 VanDerWaalsContact O-N 3.15Å; Y503-Y505 PolarHBondContact O-N 2.83Å; Y503-Y505 VanDerWaalsContact O-N 3.12Å; Y505-A737 CarbonylContact O-C 3.26Å; Y505-A737 WeakPolarHBondContact O-CA 3.08Å; Y505-V738 WeakPolarHBondContact CD1-O 3.48Å; Y505-V738 PolarHBondContact O-N 2.94Å; Y505-G739 WeakPolarHBondContact CE1-O 3.25Å; Y505-L740 HydrophobicContact CD1-CD2 3.66Å; Y505-L740 HydrophobicContact CD1-CG 3.8Å; Y505-L740 HydrophobicContact CD2-CD2 4.38Å; Y505-L740 HydrophobicContact CE1-CD2 4.09Å; Y505-L740 HydrophobicContact CG-CD1 4.43Å; Y505-L740 HydrophobicContact CG-CD2 3.81Å; Y505-L740 HydrophobicContact CG-CG 3.94Å; Y505-A759 HydrophobicContact CE1-CB 4.12Å; Y505-E767 PolarHBondContact OH-OE1 2.97Å |
| 506 | F | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122.9 | -178.3 | -66.7 | -86.4 | 0 | 0 | 0 | 110.9 | L502 Y503 G504 L630 H662 V666 F670 F735 A737 L740 F749 T752 | L502-F506 HydrophobicContact CD1-CE2 4.41Å; L502-F506 HydrophobicContact CG-CE2 4.14Å; L502-F506 WeakPolarHBondContact O-CD2 3.32Å; Y503-F506 PolarHBondContact O-N 3.03Å; G504-F506 VanDerWaalsContact C-N 3.34Å; F506-L630 HydrophobicContact CD2-CD2 3.83Å; F506-L630 HydrophobicContact CE2-CD2 3.58Å; F506-L630 HydrophobicContact CZ-CD2 4.44Å; F506-H662 PolarHBondContact O-CE1 3.18Å; F506-H662 PolarHBondContact O-NE2 3.26Å; F506-H662 VanDerWaalsContact O-NE2 3.08Å; F506-V666 HydrophobicContact CB-CG1 4.42Å; F506-V666 HydrophobicContact CB-CG2 4.18Å; F506-V666 HydrophobicContact CD2-CG1 4.19Å; F506-V666 HydrophobicContact CG-CG1 4.26Å; F506-F670 AromaticContact CD1-CE2 3.58Å; F506-F670 HydrophobicContact CD1-CE2 3.58Å; F506-F670 AromaticContact CD1-CZ 3.69Å; F506-F670 HydrophobicContact CD1-CZ 3.69Å; F506-F670 HydrophobicContact CE1-CE1 4.38Å; F506-F670 AromaticContact CE1-CE2 3.49Å; F506-F670 HydrophobicContact CE1-CE2 3.49Å; F506-F670 VanDerWaalsContact CE1-CE2 3.49Å; F506-F670 AromaticContact CE1-CZ 3.34Å; F506-F670 HydrophobicContact CE1-CZ 3.34Å; F506-F670 HydrophobicContact CG-CE2 4.21Å; F506-F670 HydrophobicContact CZ-CE2 4.06Å; F506-F670 HydrophobicContact CZ-CZ 4.15Å; F506-F735 HydrophobicContact CB-CB 4.25Å; F506-F735 HydrophobicContact CB-CD1 4.19Å; F506-F735 HydrophobicContact CB-CG 4.4Å; F506-F735 HydrophobicContact CD1-CB 4.04Å; F506-A737 HydrophobicContact CD1-CB 4.2Å; F506-A737 HydrophobicContact CE1-CB 4.01Å; F506-L740 HydrophobicContact CE1-CD1 4.36Å; F506-L740 HydrophobicContact CE2-CD1 3.77Å; F506-L740 HydrophobicContact CZ-CD1 3.64Å; F506-F749 HydrophobicContact CE1-CD2 4.42Å; F506-F749 HydrophobicContact CE1-CG 4.3Å; F506-F749 HydrophobicContact CE2-CE2 4.33Å; F506-F749 HydrophobicContact CE2-CZ 4.36Å; F506-F749 HydrophobicContact CZ-CD1 4.15Å; F506-F749 AromaticContact CZ-CD2 3.71Å; F506-F749 HydrophobicContact CZ-CD2 3.71Å; F506-F749 HydrophobicContact CZ-CE1 4.18Å; F506-F749 AromaticContact CZ-CE2 3.73Å; F506-F749 HydrophobicContact CZ-CE2 3.73Å; F506-F749 AromaticContact CZ-CG 3.91Å; F506-F749 HydrophobicContact CZ-CG 3.91Å; F506-F749 AromaticContact CZ-CZ 3.97Å; F506-F749 HydrophobicContact CZ-CZ 3.97Å; F506-T752 HydrophobicContact CE1-CG2 4.3Å |
| 507 | Q | 97.3 | Very high | 93.9 | Very high | 18 Ų | 18 | 16.8 Ų | 16.8 | 8% | 0.084 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 131.6 | 176.4 | -58.7 | -57.5 | -39.9 | 0 | 0 | 109.3 | G504 M509 F735 E736 V738 H1054 G1056 V1057 | G504-Q507 PolarHBondContact O-NE2 3.07Å; Q507-M509 PolarHBondContact O-N 3.34Å; Q507-F735 CarbonylContact O-C 3.53Å; Q507-F735 VanDerWaalsContact O-CA 3.23Å; Q507-F735 WeakPolarHBondContact O-CA 3.44Å; Q507-E736 PolarHBondContact N-O 3.46Å; Q507-E736 PolarHBondContact O-N 2.84Å; Q507-V738 HydrophobicContact CG-CG2 4.06Å; Q507-H1054 VanDerWaalsContact OE1-CA 3.23Å; Q507-G1056 PolarHBondContact OE1-O 3Å; Q507-V1057 HydrophobicContact CB-CG1 3.96Å; Q507-V1057 HydrophobicContact CG-CG1 4.17Å |
| 508 | Q | 97.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.019 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 124.7 | 177.9 | -68.4 | 168 | 4.5 | 0 | 0 | 109.5 | H662 V717 F735 H1054 S1055 | Q508-H662 PolarHBondContact NE2-ND1 3.24Å; Q508-V717 HydrophobicContact CG-CG1 4.04Å; Q508-F735 HydrophobicContact CG-CD1 4.14Å; Q508-F735 HydrophobicContact CG-CE1 3.64Å; Q508-H1054 VanDerWaalsContact CB-O 3.31Å; Q508-H1054 WeakPolarHBondContact CB-O 3.31Å; Q508-H1054 WeakPolarHBondContact CG-O 3.34Å; Q508-H1054 PolarHBondContact N-O 2.84Å; Q508-S1055 PolarHBondContact OE1-OG 2.86Å |
| 509 | M | 95.9 | Very high | 94.3 | Very high | 24 Ų | 24 | 9.5 Ų | 9.5 | 12% | 0.118 | 6% | 0.059 | C | C | . | . | trans | -77.1 | 156.5 | 168.3 | -61.7 | -167.9 | -63 | 0 | 0 | 109.9 | Q507 M721 I734 E736 | Q507-M509 PolarHBondContact O-N 3.34Å; M509-M721 HydrophobicContact CB-CE 3.65Å; M509-I734 HydrophobicContact CB-CG2 4.03Å; M509-I734 HydrophobicContact CE-CG2 4.38Å; M509-I734 PolarHBondContact N-O 3.13Å; M509-I734 VanDerWaalsContact N-O 3.16Å; M509-E736 HydrophobicContact CG-CB 4.44Å | ||
| 510 | F | 96.2 | Very high | 94.5 | Very high | 2 Ų | 2 | 9.9 Ų | 9.9 | 1% | 0.009 | 6% | 0.061 | C | C | . | . | trans | -143.8 | 163.1 | -177.6 | 50.4 | -89.5 | 0 | 0 | 0 | 110.7 | Q512 K720 M721 A947 P952 V1015 E1017 | F510-Q512 HydrophobicContact CE2-CB 4.47Å; F510-Q512 HydrophobicContact CE2-CG 4.24Å; F510-K720 HydrophobicContact CB-CB 4.02Å; F510-M721 VanDerWaalsContact O-CE 3.3Å; F510-M721 WeakPolarHBondContact O-CE 3.37Å; F510-A947 HydrophobicContact CE2-CB 4.48Å; F510-P952 HydrophobicContact CB-CB 4.43Å; F510-P952 HydrophobicContact CD1-CB 3.45Å; F510-P952 VanDerWaalsContact CD1-CB 3.45Å; F510-P952 HydrophobicContact CD1-CG 3.32Å; F510-P952 HydrophobicContact CD2-CB 3.59Å; F510-P952 HydrophobicContact CD2-CG 4.41Å; F510-P952 HydrophobicContact CE1-CB 3.47Å; F510-P952 VanDerWaalsContact CE1-CB 3.47Å; F510-P952 HydrophobicContact CE1-CG 3.36Å; F510-P952 HydrophobicContact CE2-CB 3.59Å; F510-P952 HydrophobicContact CE2-CG 4.42Å; F510-P952 HydrophobicContact CG-CB 3.52Å; F510-P952 HydrophobicContact CG-CG 3.89Å; F510-P952 HydrophobicContact CZ-CB 3.55Å; F510-P952 HydrophobicContact CZ-CG 3.95Å; F510-V1015 HydrophobicContact CE1-CG1 4.14Å; F510-V1015 HydrophobicContact CE2-CB 3.85Å; F510-V1015 HydrophobicContact CE2-CG1 4.33Å; F510-V1015 HydrophobicContact CZ-CB 3.52Å; F510-V1015 HydrophobicContact CZ-CG1 3.53Å; F510-E1017 HydrophobicContact CE1-CB 4.15Å; F510-E1017 WeakPolarHBondContact CE1-OE2 3.46Å; F510-E1017 HydrophobicContact CE2-CG 4.49Å; F510-E1017 HydrophobicContact CZ-CB 4.06Å; F510-E1017 HydrophobicContact CZ-CG 4.08Å; F510-E1017 PolarHBondContact N-OE2 3.26Å; F510-E1017 VanDerWaalsContact N-OE2 3.07Å | ||
| 511 | A | 93.9 | Very high | 94.3 | Very high | 6 Ų | 6 | 13.6 Ų | 13.6 | 5% | 0.05 | 8% | 0.075 | C | C | . | . | trans | -82.9 | 131.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110 | N515 K720 M721 | A511-N515 WeakPolarHBondContact CB-ND2 3.41Å; A511-N515 WeakPolarHBondContact CB-O 3.49Å; A511-K720 WeakPolarHBondContact CB-O 3.45Å; A511-K720 PolarHBondContact N-O 3.09Å; A511-M721 HydrophobicContact CB-SD 4.08Å | ||
| 512 | Q | 92.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.019 | 10% | 0.099 | C | C | . | . | trans | -143.4 | 129.1 | 167.8 | 59.4 | -175.2 | -23.6 | 0 | 0 | 110.2 | F510 T514 V1015 E1017 I1023 | F510-Q512 HydrophobicContact CE2-CB 4.47Å; F510-Q512 HydrophobicContact CE2-CG 4.24Å; Q512-T514 PolarHBondContact O-N 3.36Å; Q512-T514 PolarHBondContact O-OG1 3.3Å; Q512-V1015 PolarHBondContact NE2-O 2.99Å; Q512-V1015 PolarHBondContact OE1-O 2.72Å; Q512-E1017 WeakPolarHBondContact CG-OE1 3.45Å; Q512-E1017 PolarHBondContact NE2-OE1 3.41Å; Q512-I1023 HydrophobicContact CG-CD1 3.61Å; Q512-I1023 HydrophobicContact CG-CG2 4.49Å | ||
| 513 | V | 90.4 | Very high | 93.8 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 3% | 0.03 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 65.2 | -59.9 | -178.3 | -167.2 | 0 | 0 | 0 | 0 | 115.2 | N515 L946 S990 I991 L994 L1014 I1023 V1027 | V513-N515 VanDerWaalsContact C-N 3.31Å; V513-N515 PolarHBondContact O-N 3.24Å; V513-L946 HydrophobicContact CB-CD1 4.05Å; V513-L946 HydrophobicContact CG2-CD1 3.27Å; V513-S990 CarbonylContact O-C 3.47Å; V513-S990 VanDerWaalsContact O-C 3.25Å; V513-S990 WeakPolarHBondContact O-CA 3.4Å; V513-I991 HydrophobicContact CG1-CB 4.13Å; V513-I991 HydrophobicContact CG1-CD1 3.24Å; V513-I991 HydrophobicContact CG1-CG1 4.27Å; V513-L994 HydrophobicContact CG1-CB 4.36Å; V513-L994 HydrophobicContact CG1-CD2 3.69Å; V513-L994 HydrophobicContact CG2-CD2 4.12Å; V513-L1014 HydrophobicContact CG2-CD2 3.84Å; V513-I1023 HydrophobicContact CB-CG2 3.75Å; V513-I1023 HydrophobicContact CG2-CG2 3.38Å; V513-V1027 HydrophobicContact CG2-CG2 3.93Å |
| 514 | T | 87.3 | Confident | 93.4 | Very high | 32 Ų | 32 | 26.7 Ų | 26.7 | 20% | 0.196 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -59.6 | -41.8 | -171.1 | 46.8 | 0 | 0 | 0 | 0 | 112.4 | T217 Q512 I1023 | T217-T514 HydrophobicContact CG2-CG2 4.02Å; Q512-T514 PolarHBondContact O-N 3.36Å; Q512-T514 PolarHBondContact O-OG1 3.3Å; T514-I1023 HydrophobicContact CG2-CG1 4.23Å |
| 515 | N | 92.7 | Very high | 93.1 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.043 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -144.8 | 161.4 | 175.5 | 60.6 | -68.1 | 0 | 0 | 0 | 109 | E237 P335 A511 V513 M721 | E237-N515 HydrophobicContact CB-CB 4.36Å; P335-N515 HydrophobicContact CG-CB 3.67Å; A511-N515 WeakPolarHBondContact CB-ND2 3.41Å; A511-N515 WeakPolarHBondContact CB-O 3.49Å; V513-N515 VanDerWaalsContact C-N 3.31Å; V513-N515 PolarHBondContact O-N 3.24Å; N515-M721 PolarHBondContact ND2-O 3.2Å |
| 516 | P | 94.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.019 | 15% | 0.148 | C | C | . | . | trans | -91.1 | 149.7 | 178 | 35.1 | -30.3 | 0 | 0 | 0 | 112 | P335 L355 G722 P984 Y989 | P335-P516 HydrophobicContact CG-CG 4.24Å; L355-P516 HydrophobicContact CD1-CG 4Å; L355-P516 HydrophobicContact CD2-CG 4.11Å; L355-P516 HydrophobicContact CG-CG 4.49Å; P516-G722 WeakPolarHBondContact O-CA 3.39Å; P516-P984 HydrophobicContact CB-CB 3.7Å; P516-Y989 HydrophobicContact CB-CD1 3.59Å; P516-Y989 HydrophobicContact CB-CE1 4.14Å; P516-Y989 HydrophobicContact CG-CD1 3.52Å; P516-Y989 HydrophobicContact CG-CE1 4.19Å; P516-Y989 HydrophobicContact CG-CG 4.1Å | ||
| 517 | P | 95.5 | Very high | 92.6 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 8% | 0.084 | 15% | 0.148 | C | C | . | . | trans | -67 | 165.9 | 158.2 | 30.3 | -35.2 | 0 | 0 | 0 | 111.3 | A719 P983 P984 | P517-A719 CarbonylContact C-O 3.46Å; P517-A719 WeakPolarHBondContact CA-O 3.49Å; P517-A719 WeakPolarHBondContact CB-O 3.46Å; P517-P983 HydrophobicContact CB-CB 3.91Å; P517-P983 HydrophobicContact CG-CB 3.78Å; P517-P984 HydrophobicContact CG-CB 4.04Å; P517-P984 WeakPolarHBondContact O-CB 3.28Å; P517-P984 WeakPolarHBondContact O-CD 3.44Å; P517-P984 VanDerWaalsContact O-CG 3.23Å; P517-P984 WeakPolarHBondContact O-CG 3.44Å | ||
| 518 | I | 93.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | trans | -106.6 | 153.3 | 178.5 | -69.2 | 166.5 | 0 | 0 | 0 | 109.7 | N353 P520 E523 V526 M527 A719 G722 S724 P983 | N353-I518 VanDerWaalsContact ND2-CD1 3.3Å; N353-I518 WeakPolarHBondContact ND2-CD1 3.36Å; I518-P520 WeakPolarHBondContact O-CD 3.35Å; I518-E523 HydrophobicContact CG2-CB 4.17Å; I518-E523 WeakPolarHBondContact CG2-OE2 3.4Å; I518-V526 HydrophobicContact CG2-CG2 4.44Å; I518-M527 HydrophobicContact CD1-SD 4.41Å; I518-M527 HydrophobicContact CG2-CG 4.48Å; I518-M527 HydrophobicContact CG2-SD 3.88Å; I518-A719 HydrophobicContact CB-CB 4.14Å; I518-A719 PolarHBondContact N-O 3.38Å; I518-A719 WeakPolarHBondContact O-CB 3.4Å; I518-G722 VanDerWaalsContact CD1-C 3.46Å; I518-G722 WeakPolarHBondContact CD1-O 3.19Å; I518-S724 VanDerWaalsContact CD1-OG 3.24Å; I518-S724 WeakPolarHBondContact CD1-OG 3.41Å; I518-P983 WeakPolarHBondContact O-CG 3.47Å | ||
| 519 | D | 93.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | trans | -83.9 | 102.2 | 167.4 | -169.7 | -41 | 0 | 0 | 0 | 110.2 | F521 R522 E523 | D519-F521 PolarHBondContact O-N 3.09Å; D519-F521 PolarHBondContact OD1-N 3.38Å; D519-R522 HydrophobicContact CB-CB 4.21Å; D519-R522 PolarHBondContact OD1-N 3Å; D519-R522 VanDerWaalsContact OD2-CD 3.25Å; D519-R522 WeakPolarHBondContact OD2-CD 3.4Å; D519-R522 WeakPolarHBondContact OD2-CG 3.43Å; D519-R522 IonicContact OD2-CZ 3.58Å; D519-R522 IonicContact OD2-NE 3.8Å; D519-R522 IonicContact OD2-NH1 3.99Å; D519-R522 PolarHBondContact OD2-NH1 3.34Å; D519-E523 HydrophobicContact CB-CG 4.21Å; D519-E523 PolarHBondContact N-OE2 3.35Å; D519-E523 WeakPolarHBondContact O-CA 3.23Å; D519-E523 VanDerWaalsContact O-CB 3.28Å; D519-E523 WeakPolarHBondContact O-CB 3.16Å; D519-E523 PolarHBondContact O-N 2.98Å | ||
| 520 | P | 91.7 | Very high | 92.4 | Very high | 10 Ų | 10 | 29.3 Ų | 29.3 | 7% | 0.065 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -13.7 | -173.3 | 30.5 | -37.8 | 0 | 0 | 0 | 113.2 | I518 C715 K716 A719 | I518-P520 WeakPolarHBondContact O-CD 3.35Å; P520-C715 HydrophobicContact CB-CB 4.28Å; P520-K716 HydrophobicContact CG-CB 4.25Å; P520-K716 HydrophobicContact CG-CG 4.41Å; P520-A719 HydrophobicContact CB-CB 3.96Å; P520-A719 HydrophobicContact CG-CB 4.2Å |
| 521 | F | 87.5 | Confident | 92.3 | Very high | 106 Ų | 106 | 29.2 Ų | 29.2 | 47% | 0.465 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -50 | -176.7 | -50.2 | -64.8 | 0 | 0 | 0 | 111.5 | D519 K716 | D519-F521 PolarHBondContact O-N 3.09Å; D519-F521 PolarHBondContact OD1-N 3.38Å; F521-K716 HydrophobicContact CZ-CD 4.4Å |
| 522 | R | 91 | Very high | 92.3 | Very high | 152 Ų | 152 | 29 Ų | 29 | 57% | 0.574 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -30.5 | -179.2 | -60.8 | -176.6 | -178.8 | 112.7 | -5.6 | 112.3 | D519 I980 | D519-R522 HydrophobicContact CB-CB 4.21Å; D519-R522 PolarHBondContact OD1-N 3Å; D519-R522 VanDerWaalsContact OD2-CD 3.25Å; D519-R522 WeakPolarHBondContact OD2-CD 3.4Å; D519-R522 WeakPolarHBondContact OD2-CG 3.43Å; D519-R522 IonicContact OD2-CZ 3.58Å; D519-R522 IonicContact OD2-NE 3.8Å; D519-R522 IonicContact OD2-NH1 3.99Å; D519-R522 PolarHBondContact OD2-NH1 3.34Å; R522-I980 PolarHBondContact NH1-O 3.01Å; R522-I980 PolarHBondContact NH2-O 2.99Å |
| 523 | E | 90.3 | Very high | 92.4 | Very high | 53 Ų | 53 | 28.8 Ų | 28.8 | 25% | 0.248 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 25.4 | -179.1 | -57.4 | 169.5 | 179.2 | 0 | 0 | 110.8 | I518 D519 V525 V526 H986 | I518-E523 HydrophobicContact CG2-CB 4.17Å; I518-E523 WeakPolarHBondContact CG2-OE2 3.4Å; D519-E523 HydrophobicContact CB-CG 4.21Å; D519-E523 PolarHBondContact N-OE2 3.35Å; D519-E523 WeakPolarHBondContact O-CA 3.23Å; D519-E523 VanDerWaalsContact O-CB 3.28Å; D519-E523 WeakPolarHBondContact O-CB 3.16Å; D519-E523 PolarHBondContact O-N 2.98Å; E523-V525 PolarHBondContact O-N 2.82Å; E523-V526 HydrophobicContact CB-CG2 4.22Å; E523-V526 WeakPolarHBondContact O-CG2 3.4Å; E523-V526 PolarHBondContact O-N 3.01Å; E523-H986 IonicContact OE1-CE1 2.76Å |
| 524 | Q | 88.4 | Confident | 92.5 | Very high | 90 Ų | 90 | 28.7 Ų | 28.7 | 42% | 0.421 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -17.7 | -178.2 | -160.3 | -168 | -0.7 | 0 | 0 | 113.9 | K310 V526 M527 | K310-Q524 VanDerWaalsContact CD-O 3.28Å; K310-Q524 WeakPolarHBondContact CD-O 3.48Å; K310-Q524 PolarHBondContact NZ-O 2.92Å; Q524-V526 VanDerWaalsContact C-N 3.27Å; Q524-V526 PolarHBondContact O-N 2.92Å; Q524-M527 PolarHBondContact O-N 3.1Å |
| 525 | V | 89.8 | Confident | 92.8 | Very high | 87 Ų | 87 | 28.5 Ų | 28.5 | 53% | 0.527 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -29.2 | 176.8 | 71.7 | 0 | 0 | 0 | 0 | 112.8 | K310 E523 | K310-V525 HydrophobicContact CB-CG2 4.07Å; E523-V525 PolarHBondContact O-N 2.82Å |
| 526 | V | 91.7 | Very high | 92.9 | Very high | 18 Ų | 18 | 28.7 Ų | 28.7 | 11% | 0.109 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -20.2 | 179.3 | -59.4 | 0 | 0 | 0 | 0 | 113 | A307 R352 N353 I518 E523 Q524 | A307-V526 HydrophobicContact CB-CB 4.24Å; A307-V526 HydrophobicContact CB-CG1 3.92Å; R352-V526 PolarHBondContact NH1-O 3.05Å; N353-V526 WeakPolarHBondContact OD1-CB 3.3Å; N353-V526 WeakPolarHBondContact OD1-CG1 3.42Å; N353-V526 WeakPolarHBondContact OD1-CG2 3.28Å; I518-V526 HydrophobicContact CG2-CG2 4.44Å; E523-V526 HydrophobicContact CB-CG2 4.22Å; E523-V526 WeakPolarHBondContact O-CG2 3.4Å; E523-V526 PolarHBondContact O-N 3.01Å; Q524-V526 VanDerWaalsContact C-N 3.27Å; Q524-V526 PolarHBondContact O-N 2.92Å |
| 527 | M | 93.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | trans | -79.5 | 139.7 | -178.4 | -63.7 | -64.7 | -57.9 | 0 | 0 | 111.6 | K310 I518 Q524 C715 M718 A719 I723 S724 | K310-M527 PolarHBondContact NZ-O 3.3Å; I518-M527 HydrophobicContact CD1-SD 4.41Å; I518-M527 HydrophobicContact CG2-CG 4.48Å; I518-M527 HydrophobicContact CG2-SD 3.88Å; Q524-M527 PolarHBondContact O-N 3.1Å; M527-C715 HydrophobicContact CE-CB 4.02Å; M527-C715 WeakPolarHBondContact CE-O 3.46Å; M527-M718 HydrophobicContact CE-CB 4.27Å; M527-M718 HydrophobicContact CE-CE 4.01Å; M527-A719 HydrophobicContact CE-CB 4.33Å; M527-I723 WeakPolarHBondContact CE-O 3.41Å; M527-S724 CarbonylContact C-O 2.88Å; M527-S724 VanDerWaalsContact CA-O 3.25Å; M527-S724 WeakPolarHBondContact CA-O 3.06Å | ||
| 528 | S | 95 | Very high | 92.7 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -149.7 | 142.7 | 170.4 | -172.4 | 0 | 0 | 0 | 0 | 114.4 | E309 A530 S724 T725 L726 | E309-S528 VanDerWaalsContact CD-OG 3.23Å; E309-S528 PolarHBondContact OE1-OG 2.98Å; E309-S528 WeakPolarHBondContact OE2-CB 3.45Å; E309-S528 PolarHBondContact OE2-OG 3.09Å; S528-A530 WeakPolarHBondContact OG-CB 3.43Å; S528-A530 PolarHBondContact OG-N 2.99Å; S528-S724 PolarHBondContact N-O 3.16Å; S528-T725 WeakPolarHBondContact O-CA 3.19Å; S528-L726 PolarHBondContact O-N 3.08Å |
| 529 | L | 96.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | trans | -100.4 | -3 | 165.6 | -56.1 | -168.6 | 0 | 0 | 0 | 113 | C531 E553 Q554 Y711 I714 M718 L726 | L529-C531 PolarHBondContact O-N 3.38Å; L529-E553 CarbonylContact C-O 3.47Å; L529-Q554 HydrophobicContact CB-CB 4.15Å; L529-Q554 HydrophobicContact CD1-CB 4.49Å; L529-Y711 HydrophobicContact CB-CD2 4.28Å; L529-Y711 HydrophobicContact CB-CE2 4.07Å; L529-Y711 HydrophobicContact CD1-CD2 3.52Å; L529-Y711 HydrophobicContact CD1-CE2 3.97Å; L529-Y711 HydrophobicContact CD1-CG 3.91Å; L529-Y711 HydrophobicContact CG-CD2 3.89Å; L529-Y711 HydrophobicContact CG-CE2 3.79Å; L529-I714 HydrophobicContact CD1-CB 4.1Å; L529-I714 HydrophobicContact CD1-CD1 4.43Å; L529-I714 HydrophobicContact CD1-CG2 4.21Å; L529-I714 HydrophobicContact CD2-CB 4.31Å; L529-I714 HydrophobicContact CD2-CG2 3.67Å; L529-M718 HydrophobicContact CD2-CE 4.34Å; L529-M718 HydrophobicContact CD2-SD 3.56Å; L529-M718 VanDerWaalsContact CD2-SD 3.56Å; L529-L726 HydrophobicContact CB-CB 4.45Å; L529-L726 HydrophobicContact CB-CD2 4.24Å; L529-L726 HydrophobicContact CD2-CB 4Å; L529-L726 HydrophobicContact CD2-CD2 4.47Å; L529-L726 WeakPolarHBondContact O-CD2 3.41Å | ||
| 530 | A | 94.7 | Very high | 92.8 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 11% | 0.107 | 17% | 0.167 | C | C | . | . | trans | -71.3 | 128.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | S528 F551 L552 E553 | S528-A530 WeakPolarHBondContact OG-CB 3.43Å; S528-A530 PolarHBondContact OG-N 2.99Å; A530-F551 HydrophobicContact CB-CE1 3.88Å; A530-F551 HydrophobicContact CB-CZ 3.93Å; A530-L552 CarbonylContact C-O 3.33Å; A530-L552 WeakPolarHBondContact CA-O 3.39Å; A530-E553 WeakPolarHBondContact CA-O 3.45Å; A530-E553 PolarHBondContact N-O 3.2Å | ||
| 531 | C | 93.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 149.3 | 176.2 | 63.2 | 0 | 0 | 0 | 0 | 111.8 | L529 L552 H727 K730 | L529-C531 PolarHBondContact O-N 3.38Å; C531-L552 PolarHBondContact N-O 3.13Å; C531-L552 PolarHBondContact O-N 3.37Å; C531-H727 HydrophobicContact CB-CB 4.01Å; C531-K730 PolarHBondContact SG-NZ 3.12Å; C531-K730 VanDerWaalsContact SG-NZ 3.41Å |
| 532 | P | 95.3 | Very high | 93 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 147.5 | 167.8 | 29 | -27.9 | 0 | 0 | 0 | 111.2 | A326 M327 R549 L550 F551 K730 | A326-P532 WeakPolarHBondContact O-CG 3.35Å; M327-P532 HydrophobicContact SD-CB 3.59Å; M327-P532 VanDerWaalsContact SD-CB 3.59Å; M327-P532 HydrophobicContact SD-CG 4.06Å; P532-R549 HydrophobicContact CB-CB 3.97Å; P532-L550 CarbonylContact C-O 3.44Å; P532-L550 WeakPolarHBondContact CA-O 3.41Å; P532-F551 HydrophobicContact CB-CD2 4.18Å; P532-K730 PolarHBondContact O-NZ 2.83Å |
| 533 | I | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 156.4 | 177.6 | 72.2 | 160.7 | 0 | 0 | 0 | 109.5 | L550 L552 W573 L612 V652 D673 | I533-L550 HydrophobicContact CD1-CB 4.49Å; I533-L550 HydrophobicContact CD1-CD2 3.67Å; I533-L550 HydrophobicContact CD1-CG 4.12Å; I533-L550 HydrophobicContact CG1-CB 3.78Å; I533-L550 HydrophobicContact CG1-CD2 3.91Å; I533-L550 HydrophobicContact CG1-CG 3.83Å; I533-L550 WeakPolarHBondContact CG1-O 3.22Å; I533-L550 PolarHBondContact N-O 3.37Å; I533-L550 PolarHBondContact O-N 3.21Å; I533-L550 VanDerWaalsContact O-N 3.11Å; I533-L552 HydrophobicContact CD1-CD1 3.59Å; I533-L552 HydrophobicContact CD1-CG 4.02Å; I533-L552 HydrophobicContact CG1-CD1 4.14Å; I533-L552 HydrophobicContact CG1-CG 4.14Å; I533-L552 HydrophobicContact CG2-CD1 3.97Å; I533-L552 HydrophobicContact CG2-CG 4.29Å; I533-W573 WeakPolarHBondContact O-CH2 3.44Å; I533-L612 HydrophobicContact CD1-CD2 4.16Å; I533-V652 HydrophobicContact CD1-CG2 4.48Å; I533-D673 HydrophobicContact CB-CB 3.92Å; I533-D673 HydrophobicContact CD1-CB 4.45Å; I533-D673 HydrophobicContact CG2-CB 3.65Å |
| 534 | G | 92.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 29 Ų | 29 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 92.4 | -168.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R549 | G534-R549 PolarHBondContact O-NE 3.35Å; G534-R549 PolarHBondContact O-NH2 3.2Å; G534-R549 VanDerWaalsContact O-NH2 3.12Å |
| 535 | P | 93.7 | Very high | 93.6 | Very high | 28 Ų | 28 | 26.4 Ų | 26.4 | 18% | 0.182 | 15% | 0.154 | C | C | . | . | trans | -58.2 | 136.8 | -167.7 | 24.7 | -37.2 | 0 | 0 | 0 | 113 | R549 W573 Q611 M647 K648 | P535-R549 WeakPolarHBondContact O-CG 3.37Å; P535-W573 HydrophobicContact CG-CZ2 4.12Å; P535-Q611 HydrophobicContact CG-CB 4.29Å; P535-Q611 HydrophobicContact CG-CG 3.78Å; P535-M647 CarbonylContact C-O 3.51Å; P535-M647 VanDerWaalsContact CA-O 3.29Å; P535-M647 WeakPolarHBondContact CA-O 3.27Å; P535-K648 WeakPolarHBondContact CB-O 3.29Å | ||
| 536 | E | 93.8 | Very high | 93.8 | Very high | 13 Ų | 13 | 22.5 Ų | 22.5 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | trans | -94.2 | 153.1 | 165.5 | -58.4 | -163 | 172.8 | 0 | 0 | 110.2 | R251 L254 R549 M647 | R251-E536 IonicContact CZ-OE2 2.67Å; R251-E536 VanDerWaalsContact CZ-OE2 3.31Å; R251-E536 IonicContact NE-OE2 2.74Å; R251-E536 PolarHBondContact NE-OE2 3.42Å; R251-E536 IonicContact NH2-OE1 3.31Å; R251-E536 PolarHBondContact NH2-OE1 3.37Å; R251-E536 IonicContact NH2-OE2 2.78Å; R251-E536 PolarHBondContact NH2-OE2 2.83Å; L254-E536 HydrophobicContact CD1-CB 4.25Å; L254-E536 WeakPolarHBondContact CD1-O 3.48Å; E536-R549 VanDerWaalsContact CG-CZ 3.47Å; E536-R549 IonicContact OE1-CZ 2.75Å; E536-R549 IonicContact OE1-NH1 3.31Å; E536-R549 PolarHBondContact OE1-NH1 2.95Å; E536-R549 IonicContact OE1-NH2 2.98Å; E536-R549 PolarHBondContact OE1-NH2 2.93Å; E536-M647 HydrophobicContact CB-CB 4.34Å; E536-M647 HydrophobicContact CG-SD 4.25Å; E536-M647 PolarHBondContact N-O 3.2Å | ||
| 537 | E | 93.2 | Very high | 93.9 | Very high | 102 Ų | 102 | 21.6 Ų | 21.6 | 48% | 0.477 | 12% | 0.124 | S | C | . | . | trans | -106.6 | 172.6 | 173.1 | -74.2 | -67.8 | 169.6 | 0 | 0 | 109.7 | I539 A545 Q546 | E537-I539 PolarHBondContact O-N 2.84Å; E537-A545 HydrophobicContact CG-CB 3.92Å; E537-Q546 HydrophobicContact CB-CB 4.47Å; E537-Q546 HydrophobicContact CB-CG 3.73Å | ||
| 538 | N | 93.8 | Very high | 94 | Very high | 21 Ų | 21 | 26.9 Ų | 26.9 | 11% | 0.112 | 14% | 0.144 | C | C | . | . | trans | -51.6 | 115.3 | 179.4 | 179.4 | 5.7 | 0 | 0 | 0 | 111.7 | S256 L540 Q546 | S256-N538 PolarHBondContact N-ND2 3.17Å; S256-N538 PolarHBondContact O-ND2 2.8Å; S256-N538 PolarHBondContact OG-ND2 3.27Å; S256-N538 VanDerWaalsContact OG-ND2 3.1Å; N538-L540 PolarHBondContact O-N 2.87Å; N538-L540 WeakPolarHBondContact OD1-CB 3.45Å; N538-L540 PolarHBondContact OD1-N 2.94Å; N538-Q546 PolarHBondContact O-NE2 2.84Å | ||
| 539 | I | 94.1 | Very high | 94 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -63.4 | -26.3 | -179.5 | -172.9 | 159.6 | 0 | 0 | 0 | 112.4 | M255 L288 R294 V328 M329 E537 | M255-I539 HydrophobicContact CE-CB 4.39Å; M255-I539 HydrophobicContact CE-CG2 3.23Å; M255-I539 HydrophobicContact CG-CG2 3.85Å; M255-I539 HydrophobicContact SD-CG2 3.81Å; L288-I539 HydrophobicContact CD2-CD1 4.05Å; L288-I539 HydrophobicContact CD2-CG1 3.96Å; L288-I539 HydrophobicContact CD2-CG2 4.41Å; R294-I539 PolarHBondContact NH2-O 2.84Å; V328-I539 HydrophobicContact CG1-CB 4.4Å; V328-I539 HydrophobicContact CG1-CD1 4.03Å; V328-I539 HydrophobicContact CG1-CG1 3.56Å; M329-I539 HydrophobicContact CB-CD1 3.95Å; M329-I539 HydrophobicContact CG-CD1 4.49Å; M329-I539 HydrophobicContact SD-CD1 4.17Å; E537-I539 PolarHBondContact O-N 2.84Å |
| 540 | L | 93.6 | Very high | 94 | Very high | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -76.9 | -31.9 | -172.1 | -63 | -178.3 | 0 | 0 | 0 | 112.4 | M255 F264 F287 L288 A291 R294 N538 P542 | M255-L540 HydrophobicContact CB-CD1 4.43Å; F264-L540 HydrophobicContact CE2-CD1 3.48Å; F264-L540 VanDerWaalsContact CE2-CD1 3.48Å; F264-L540 HydrophobicContact CZ-CD1 3.47Å; F264-L540 VanDerWaalsContact CZ-CD1 3.47Å; F287-L540 HydrophobicContact CD1-CD2 4.19Å; F287-L540 HydrophobicContact CE1-CD1 4.24Å; F287-L540 HydrophobicContact CE1-CD2 3.71Å; F287-L540 HydrophobicContact CE1-CG 4.36Å; F287-L540 HydrophobicContact CZ-CD1 4.19Å; F287-L540 HydrophobicContact CZ-CD2 4.44Å; L288-L540 HydrophobicContact CD2-CD2 4.15Å; A291-L540 HydrophobicContact CB-CD1 3.91Å; A291-L540 HydrophobicContact CB-CD2 4.09Å; R294-L540 PolarHBondContact NH2-O 3.13Å; N538-L540 PolarHBondContact O-N 2.87Å; N538-L540 WeakPolarHBondContact OD1-CB 3.45Å; N538-L540 PolarHBondContact OD1-N 2.94Å; L540-P542 WeakPolarHBondContact O-CD 3.2Å |
| 541 | K | 91.8 | Very high | 94 | Very high | 117 Ų | 117 | 28.4 Ų | 28.4 | 51% | 0.509 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -108 | 102.8 | -175.9 | -169.4 | 173.8 | -172.7 | 172.9 | 0 | 111.7 | E258 S543 Q546 | E258-K541 IonicContact OE1-NZ 3.75Å; E258-K541 PolarHBondContact OE1-NZ 3.21Å; E258-K541 IonicContact OE2-NZ 2.77Å; K541-S543 PolarHBondContact O-N 2.8Å; K541-Q546 PolarHBondContact O-NE2 3.5Å |
| 542 | P | 92.5 | Very high | 94.1 | Very high | 32 Ų | 32 | 28.5 Ų | 28.5 | 21% | 0.208 | 15% | 0.148 | C | C | . | . | trans | -55.1 | 125 | 176 | -25.6 | 35 | 0 | 0 | 0 | 112 | W324 R405 L540 | W324-P542 HydrophobicContact CH2-CB 4.16Å; W324-P542 HydrophobicContact CH2-CG 4.23Å; W324-P542 HydrophobicContact CZ2-CB 3.68Å; W324-P542 HydrophobicContact CZ2-CG 4.17Å; R405-P542 VanDerWaalsContact CZ-CG 3.48Å; R405-P542 VanDerWaalsContact NE-CB 3.32Å; L540-P542 WeakPolarHBondContact O-CD 3.2Å | ||
| 543 | S | 93.5 | Very high | 94.1 | Very high | 36 Ų | 36 | 35.2 Ų | 35.2 | 25% | 0.252 | 18% | 0.179 | S | C | . | . | trans | -152.5 | 162.2 | -179.2 | 71.2 | 0 | 0 | 0 | 0 | 112.4 | K541 A545 Q546 | K541-S543 PolarHBondContact O-N 2.8Å; S543-A545 PolarHBondContact O-N 3.45Å; S543-Q546 PolarHBondContact O-N 2.86Å; S543-Q546 PolarHBondContact O-OE1 3.07Å | ||
| 544 | A | 94.4 | Very high | 94.1 | Very high | 27 Ų | 27 | 36.1 Ų | 36.1 | 22% | 0.223 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -64.5 | -29.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W410 E414 Q546 C547 | W410-A544 HydrophobicContact CB-CB 4.11Å; W410-A544 HydrophobicContact CD2-CB 3.99Å; W410-A544 HydrophobicContact CG-CB 3.71Å; E414-A544 HydrophobicContact CG-CB 4.25Å; E414-A544 WeakPolarHBondContact CG-O 3.44Å; A544-Q546 PolarHBondContact O-N 3.11Å; A544-C547 WeakPolarHBondContact O-CB 3.31Å; A544-C547 PolarHBondContact O-N 3.34Å |
| 545 | A | 93.3 | Very high | 94.3 | Very high | 37 Ų | 37 | 36 Ų | 36 | 31% | 0.306 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -60.4 | -33.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E537 S543 C547 R548 | E537-A545 HydrophobicContact CG-CB 3.92Å; S543-A545 PolarHBondContact O-N 3.45Å; A545-C547 PolarHBondContact O-N 2.85Å; A545-C547 VanDerWaalsContact O-N 3.12Å; A545-R548 WeakPolarHBondContact O-CB 3.5Å; A545-R548 PolarHBondContact O-N 2.86Å |
| 546 | Q | 94.5 | Very high | 94.5 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -57.2 | -27.6 | 175.1 | -68.9 | 169.2 | -34.9 | 0 | 0 | 113.1 | V328 E537 N538 K541 S543 A544 R548 | V328-Q546 HydrophobicContact CG2-CB 4.18Å; V328-Q546 HydrophobicContact CG2-CG 4.34Å; E537-Q546 HydrophobicContact CB-CB 4.47Å; E537-Q546 HydrophobicContact CB-CG 3.73Å; N538-Q546 PolarHBondContact O-NE2 2.84Å; K541-Q546 PolarHBondContact O-NE2 3.5Å; S543-Q546 PolarHBondContact O-N 2.86Å; S543-Q546 PolarHBondContact O-OE1 3.07Å; A544-Q546 PolarHBondContact O-N 3.11Å; Q546-R548 VanDerWaalsContact C-N 3.31Å; Q546-R548 PolarHBondContact O-N 3.47Å |
| 547 | C | 94.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -79.5 | -9.4 | 178.7 | -64.2 | 0 | 0 | 0 | 0 | 113.5 | L411 E414 V415 A544 A545 R549 | L411-C547 HydrophobicContact CD2-CB 4.44Å; E414-C547 CarbonylContact C-O 3.05Å; E414-C547 HydrophobicContact CB-CB 3.72Å; V415-C547 VanDerWaalsContact CA-O 3.29Å; V415-C547 WeakPolarHBondContact CA-O 3.38Å; V415-C547 HydrophobicContact CG2-CB 4.19Å; V415-C547 WeakPolarHBondContact CG2-O 3.45Å; V415-C547 PolarHBondContact N-O 3.39Å; A544-C547 WeakPolarHBondContact O-CB 3.31Å; A544-C547 PolarHBondContact O-N 3.34Å; A545-C547 PolarHBondContact O-N 2.85Å; A545-C547 VanDerWaalsContact O-N 3.12Å; C547-R549 PolarHBondContact O-N 3.45Å |
| 548 | R | 94.3 | Very high | 94.8 | Very high | 111 Ų | 111 | 29.4 Ų | 29.4 | 42% | 0.419 | 15% | 0.149 | S | C | . | . | trans | -79.3 | 57 | -176 | -165.8 | -178 | -71.8 | 174.2 | -1 | 111.6 | E414 A545 Q546 W573 | E414-R548 HydrophobicContact CB-CB 4.39Å; E414-R548 IonicContact OE1-NH2 3.65Å; E414-R548 IonicContact OE2-CZ 3.81Å; E414-R548 VanDerWaalsContact OE2-CZ 3.3Å; E414-R548 IonicContact OE2-NE 3.11Å; E414-R548 PolarHBondContact OE2-NE 2.98Å; E414-R548 IonicContact OE2-NH2 2.92Å; E414-R548 PolarHBondContact OE2-NH2 3.25Å; A545-R548 WeakPolarHBondContact O-CB 3.5Å; A545-R548 PolarHBondContact O-N 2.86Å; Q546-R548 VanDerWaalsContact C-N 3.31Å; Q546-R548 PolarHBondContact O-N 3.47Å; R548-W573 WeakPolarHBondContact O-CZ2 3.45Å | ||
| 549 | R | 95.6 | Very high | 94.8 | Very high | 11 Ų | 11 | 29 Ų | 29 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -119.7 | 153.8 | 179.2 | -59.5 | -174.3 | 74.1 | -178.7 | 6.6 | 110.4 | M327 I416 P532 G534 P535 E536 C547 F551 | M327-R549 WeakPolarHBondContact O-CD 3.32Å; M327-R549 PolarHBondContact O-NH1 3.15Å; M327-R549 HydrophobicContact SD-CB 4.08Å; I416-R549 PolarHBondContact N-O 2.87Å; P532-R549 HydrophobicContact CB-CB 3.97Å; G534-R549 PolarHBondContact O-NE 3.35Å; G534-R549 PolarHBondContact O-NH2 3.2Å; G534-R549 VanDerWaalsContact O-NH2 3.12Å; P535-R549 WeakPolarHBondContact O-CG 3.37Å; E536-R549 VanDerWaalsContact CG-CZ 3.47Å; E536-R549 IonicContact OE1-CZ 2.75Å; E536-R549 IonicContact OE1-NH1 3.31Å; E536-R549 PolarHBondContact OE1-NH1 2.95Å; E536-R549 IonicContact OE1-NH2 2.98Å; E536-R549 PolarHBondContact OE1-NH2 2.93Å; C547-R549 PolarHBondContact O-N 3.45Å; R549-F551 PolarHBondContact O-N 3.23Å |
| 550 | L | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 115.2 | 172.1 | 171.2 | 60.3 | 0 | 0 | 0 | 108.1 | I416 P532 I533 L552 L565 W573 L612 | I416-L550 HydrophobicContact CG2-CD1 4.01Å; I416-L550 CarbonylContact O-C 3.08Å; I416-L550 WeakPolarHBondContact O-CA 3.36Å; P532-L550 CarbonylContact C-O 3.44Å; P532-L550 WeakPolarHBondContact CA-O 3.41Å; I533-L550 HydrophobicContact CD1-CB 4.49Å; I533-L550 HydrophobicContact CD1-CD2 3.67Å; I533-L550 HydrophobicContact CD1-CG 4.12Å; I533-L550 HydrophobicContact CG1-CB 3.78Å; I533-L550 HydrophobicContact CG1-CD2 3.91Å; I533-L550 HydrophobicContact CG1-CG 3.83Å; I533-L550 WeakPolarHBondContact CG1-O 3.22Å; I533-L550 PolarHBondContact N-O 3.37Å; I533-L550 PolarHBondContact O-N 3.21Å; I533-L550 VanDerWaalsContact O-N 3.11Å; L550-L552 HydrophobicContact CD1-CD2 4.3Å; L550-L552 HydrophobicContact CD2-CD2 4.27Å; L550-L552 HydrophobicContact CG-CD2 4.04Å; L550-L565 HydrophobicContact CD2-CD2 3.64Å; L550-W573 HydrophobicContact CB-CH2 3.64Å; L550-W573 HydrophobicContact CB-CZ3 3.69Å; L550-W573 HydrophobicContact CD2-CZ3 4.42Å; L550-L612 HydrophobicContact CD2-CD1 4.37Å |
| 551 | F | 95.6 | Very high | 94.9 | Very high | 41 Ų | 41 | 30.6 Ų | 30.6 | 18% | 0.18 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 116.2 | 179.7 | -161.9 | -95.9 | 0 | 0 | 0 | 109.8 | M327 V415 I416 A530 P532 R549 | M327-F551 HydrophobicContact CE-CB 4.27Å; M327-F551 HydrophobicContact CE-CD2 3.3Å; M327-F551 HydrophobicContact CE-CE2 3.88Å; M327-F551 HydrophobicContact CE-CG 4.07Å; M327-F551 HydrophobicContact SD-CD2 4.18Å; V415-F551 HydrophobicContact CG1-CB 3.98Å; I416-F551 PolarHBondContact O-N 3.03Å; A530-F551 HydrophobicContact CB-CE1 3.88Å; A530-F551 HydrophobicContact CB-CZ 3.93Å; P532-F551 HydrophobicContact CB-CD2 4.18Å; R549-F551 PolarHBondContact O-N 3.23Å |
| 552 | L | 95.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 137.6 | 176 | -61.4 | -175.1 | 0 | 0 | 0 | 109.6 | L418 A530 C531 I533 L550 Q554 L557 A674 | L418-L552 HydrophobicContact CB-CD2 4.32Å; L418-L552 HydrophobicContact CD1-CD2 4.14Å; L418-L552 HydrophobicContact CD2-CD2 4.15Å; L418-L552 HydrophobicContact CG-CD2 4.47Å; A530-L552 CarbonylContact C-O 3.33Å; A530-L552 WeakPolarHBondContact CA-O 3.39Å; C531-L552 PolarHBondContact N-O 3.13Å; C531-L552 PolarHBondContact O-N 3.37Å; I533-L552 HydrophobicContact CD1-CD1 3.59Å; I533-L552 HydrophobicContact CD1-CG 4.02Å; I533-L552 HydrophobicContact CG1-CD1 4.14Å; I533-L552 HydrophobicContact CG1-CG 4.14Å; I533-L552 HydrophobicContact CG2-CD1 3.97Å; I533-L552 HydrophobicContact CG2-CG 4.29Å; L550-L552 HydrophobicContact CD1-CD2 4.3Å; L550-L552 HydrophobicContact CD2-CD2 4.27Å; L550-L552 HydrophobicContact CG-CD2 4.04Å; L552-Q554 VanDerWaalsContact C-N 3.3Å; L552-L557 HydrophobicContact CD1-CD2 4.49Å; L552-L557 HydrophobicContact CD2-CD2 4.45Å; L552-A674 HydrophobicContact CD1-CB 3.62Å |
| 553 | E | 93.8 | Very high | 95.3 | Very high | 142 Ų | 142 | 24.3 Ų | 24.3 | 66% | 0.664 | 13% | 0.125 | S | C | * | . | S | Bend | trans | -74.8 | -26.4 | 172.1 | -61.1 | -171.7 | 161.3 | 0 | 0 | 111.9 | L529 A530 | L529-E553 CarbonylContact C-O 3.47Å; A530-E553 WeakPolarHBondContact CA-O 3.45Å; A530-E553 PolarHBondContact N-O 3.2Å |
| 554 | Q | 95.6 | Very high | 95.4 | Very high | 19 Ų | 19 | 22.7 Ų | 22.7 | 9% | 0.089 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -161.7 | 163.3 | 176.7 | 71.3 | -176.1 | -63.7 | 0 | 0 | 110.7 | L529 L552 R707 | L529-Q554 HydrophobicContact CB-CB 4.15Å; L529-Q554 HydrophobicContact CD1-CB 4.49Å; L552-Q554 VanDerWaalsContact C-N 3.3Å; Q554-R707 HydrophobicContact CG-CG 4.32Å; Q554-R707 VanDerWaalsContact NE2-NE 3.1Å; Q554-R707 PolarHBondContact OE1-O 3.08Å |
| 555 | P | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -83.5 | -16.2 | -172 | 31.2 | -35.7 | 0 | 0 | 0 | 114.7 | L557 L668 A674 I675 I714 L726 | P555-L557 PolarHBondContact O-N 3.06Å; P555-L668 HydrophobicContact CB-CD1 4.17Å; P555-L668 HydrophobicContact CB-CD2 3.61Å; P555-L668 HydrophobicContact CG-CD1 3.76Å; P555-L668 HydrophobicContact CG-CD2 4.15Å; P555-A674 CarbonylContact O-C 3.44Å; P555-A674 VanDerWaalsContact O-CA 3.28Å; P555-A674 WeakPolarHBondContact O-CA 3.09Å; P555-I675 PolarHBondContact O-N 3.37Å; P555-I714 HydrophobicContact CG-CD1 4Å; P555-L726 HydrophobicContact CB-CD2 3.94Å; P555-L726 HydrophobicContact CG-CD2 3.58Å |
| 556 | I | 97.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | B | Isolated β-bridge | trans | -85.4 | 117.2 | -176.3 | -53.6 | -54 | 0 | 0 | 0 | 109.7 | F664 I675 P677 Y681 F706 C710 I714 | I556-F664 HydrophobicContact CD1-CB 4.23Å; I556-F664 HydrophobicContact CD1-CD1 3.82Å; I556-F664 HydrophobicContact CD1-CD2 4.28Å; I556-F664 HydrophobicContact CD1-CE1 4.27Å; I556-F664 HydrophobicContact CD1-CG 3.85Å; I556-I675 WeakPolarHBondContact CA-O 3.34Å; I556-I675 HydrophobicContact CD1-CB 4.33Å; I556-P677 HydrophobicContact CG2-CG 4.45Å; I556-Y681 WeakPolarHBondContact CG2-OH 3.36Å; I556-F706 HydrophobicContact CG2-CD1 4.45Å; I556-F706 HydrophobicContact CG2-CE1 4.35Å; I556-C710 HydrophobicContact CG1-CB 3.77Å; I556-I714 HydrophobicContact CD1-CD1 4.34Å; I556-I714 HydrophobicContact CG1-CD1 4.32Å |
| 557 | L | 97.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -101.5 | 144.5 | -177.4 | -56.5 | 179 | 0 | 0 | 0 | 111.2 | L418 L552 P555 E561 M562 L565 V652 A674 I675 C676 Y681 | L418-L557 HydrophobicContact CD2-CD2 3.93Å; L552-L557 HydrophobicContact CD1-CD2 4.49Å; L552-L557 HydrophobicContact CD2-CD2 4.45Å; P555-L557 PolarHBondContact O-N 3.06Å; L557-E561 HydrophobicContact CB-CB 4.43Å; L557-M562 HydrophobicContact CD1-CE 4.34Å; L557-L565 HydrophobicContact CD1-CD1 3.64Å; L557-V652 HydrophobicContact CD1-CG1 3.83Å; L557-A674 HydrophobicContact CD1-CB 3.63Å; L557-A674 HydrophobicContact CD2-CB 4.29Å; L557-A674 HydrophobicContact CG-CB 3.89Å; L557-I675 PolarHBondContact N-O 3.29Å; L557-C676 HydrophobicContact CB-CB 4.26Å; L557-Y681 WeakPolarHBondContact O-CE2 3.41Å; L557-Y681 PolarHBondContact O-OH 2.75Å |
| 558 | S | 95.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 164.5 | 164.7 | 60.2 | 0 | 0 | 0 | 0 | 112.1 | F434 V560 E561 M562 F703 | F434-S558 VanDerWaalsContact CZ-CB 3.48Å; S558-V560 PolarHBondContact O-N 2.76Å; S558-E561 WeakPolarHBondContact CB-OE2 3.5Å; S558-E561 PolarHBondContact N-OE2 2.99Å; S558-E561 PolarHBondContact O-N 2.85Å; S558-E561 WeakPolarHBondContact OG-CB 3.39Å; S558-E561 WeakPolarHBondContact OG-CG 3.43Å; S558-E561 PolarHBondContact OG-N 2.77Å; S558-E561 PolarHBondContact OG-OE2 3.08Å; S558-M562 WeakPolarHBondContact O-CB 3.23Å; S558-M562 PolarHBondContact O-N 3.32Å; S558-F703 VanDerWaalsContact CB-CE2 3.43Å |
| 559 | V | 94.5 | Very high | 95.5 | Very high | 13 Ų | 13 | 25.8 Ų | 25.8 | 8% | 0.079 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.4 | -33.7 | 169.5 | -66.3 | 0 | 0 | 0 | 0 | 112.8 | F434 L437 L438 E563 Y681 | F434-V559 HydrophobicContact CD1-CG2 4.07Å; F434-V559 HydrophobicContact CE1-CG2 4.37Å; L437-V559 HydrophobicContact CB-CG2 4.44Å; L438-V559 HydrophobicContact CD2-CG1 4.22Å; L438-V559 HydrophobicContact CD2-CG2 4.17Å; L438-V559 HydrophobicContact CG-CG2 4.3Å; V559-E563 WeakPolarHBondContact O-CB 3.22Å; V559-E563 PolarHBondContact O-N 3.4Å; V559-Y681 HydrophobicContact CG1-CD2 3.89Å |
| 560 | V | 94.7 | Very high | 95.3 | Very high | 12 Ų | 12 | 27.8 Ų | 27.8 | 7% | 0.073 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.7 | -46 | 178.1 | -178 | 0 | 0 | 0 | 0 | 110.6 | L432 F434 L437 S558 E563 S564 | L432-V560 HydrophobicContact CB-CG1 4.45Å; F434-V560 HydrophobicContact CD1-CG2 4.37Å; F434-V560 HydrophobicContact CD2-CG2 3.91Å; F434-V560 HydrophobicContact CE1-CG2 4.41Å; F434-V560 HydrophobicContact CE2-CG2 3.95Å; F434-V560 HydrophobicContact CG-CG2 4.13Å; F434-V560 HydrophobicContact CZ-CG2 4.21Å; L437-V560 HydrophobicContact CD1-CB 4.26Å; L437-V560 HydrophobicContact CD1-CG2 3.84Å; S558-V560 PolarHBondContact O-N 2.76Å; V560-E563 PolarHBondContact O-N 3.37Å; V560-S564 WeakPolarHBondContact O-CB 3.2Å; V560-S564 PolarHBondContact O-N 3.43Å; V560-S564 PolarHBondContact O-OG 3.23Å |
| 561 | E | 95.5 | Very high | 94.9 | Very high | 32 Ų | 32 | 31.5 Ų | 31.5 | 15% | 0.15 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.7 | -42.6 | 176.9 | -70.5 | 159.6 | 154.3 | 0 | 0 | 110.8 | L418 V422 L557 S558 S564 L565 | L418-E561 HydrophobicContact CD1-CB 4.4Å; L418-E561 HydrophobicContact CD2-CB 3.94Å; L418-E561 HydrophobicContact CD2-CG 3.53Å; L418-E561 VanDerWaalsContact CD2-OE1 3.27Å; L418-E561 WeakPolarHBondContact CD2-OE1 3.26Å; L418-E561 HydrophobicContact CG-CB 4.31Å; L418-E561 HydrophobicContact CG-CG 3.96Å; V422-E561 HydrophobicContact CG2-CG 4.21Å; L557-E561 HydrophobicContact CB-CB 4.43Å; S558-E561 WeakPolarHBondContact CB-OE2 3.5Å; S558-E561 PolarHBondContact N-OE2 2.99Å; S558-E561 PolarHBondContact O-N 2.85Å; S558-E561 WeakPolarHBondContact OG-CB 3.39Å; S558-E561 WeakPolarHBondContact OG-CG 3.43Å; S558-E561 PolarHBondContact OG-N 2.77Å; S558-E561 PolarHBondContact OG-OE2 3.08Å; E561-S564 WeakPolarHBondContact O-CB 3.45Å; E561-S564 PolarHBondContact O-N 3.36Å; E561-L565 WeakPolarHBondContact O-CG 3.41Å; E561-L565 PolarHBondContact O-N 2.79Å |
| 562 | M | 96.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.6 | -48.7 | 175.9 | 175.9 | 55.8 | 78 | 0 | 0 | 112.2 | L557 S558 S564 L565 K566 I614 V652 E654 C676 | L557-M562 HydrophobicContact CD1-CE 4.34Å; S558-M562 WeakPolarHBondContact O-CB 3.23Å; S558-M562 PolarHBondContact O-N 3.32Å; M562-S564 PolarHBondContact O-N 2.97Å; M562-L565 PolarHBondContact O-N 2.83Å; M562-L565 VanDerWaalsContact O-N 3.12Å; M562-K566 HydrophobicContact CG-CD 4.46Å; M562-K566 WeakPolarHBondContact O-CG 3.5Å; M562-K566 PolarHBondContact O-N 3.09Å; M562-K566 HydrophobicContact SD-CG 4.24Å; M562-I614 HydrophobicContact CE-CG2 4.38Å; M562-I614 HydrophobicContact SD-CD1 4.26Å; M562-I614 HydrophobicContact SD-CG2 3.97Å; M562-V652 HydrophobicContact CE-CG1 3.42Å; M562-V652 VanDerWaalsContact CE-CG1 3.42Å; M562-V652 HydrophobicContact SD-CG1 4.33Å; M562-E654 HydrophobicContact CE-CB 3.8Å; M562-E654 HydrophobicContact CE-CG 4.47Å; M562-E654 HydrophobicContact SD-CB 4.43Å; M562-C676 HydrophobicContact CB-CB 4.04Å; M562-C676 HydrophobicContact CE-CB 3.35Å; M562-C676 HydrophobicContact CG-CB 4.18Å |
| 563 | E | 95.4 | Very high | 94.6 | Very high | 17 Ų | 17 | 32 Ų | 32 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.7 | -36.2 | 177.1 | -179.9 | 62.3 | -169.3 | 0 | 0 | 111.6 | Y425 L432 L437 R440 V559 V560 K566 K567 | Y425-E563 HydrophobicContact CE2-CG 4.27Å; Y425-E563 WeakPolarHBondContact OH-CG 3.43Å; Y425-E563 PolarHBondContact OH-OE1 3.38Å; L432-E563 HydrophobicContact CD1-CG 3.89Å; L437-E563 HydrophobicContact CD1-CB 4.29Å; L437-E563 HydrophobicContact CD2-CB 4.38Å; L437-E563 HydrophobicContact CD2-CG 4.3Å; R440-E563 IonicContact NH2-OE1 3.43Å; V559-E563 WeakPolarHBondContact O-CB 3.22Å; V559-E563 PolarHBondContact O-N 3.4Å; V560-E563 PolarHBondContact O-N 3.37Å; E563-K566 PolarHBondContact O-N 2.97Å; E563-K567 PolarHBondContact O-N 3.41Å; E563-K567 VanDerWaalsContact OE1-CE 3.32Å; E563-K567 WeakPolarHBondContact OE1-CE 3.23Å; E563-K567 IonicContact OE1-NZ 2.67Å; E563-K567 PolarHBondContact OE1-NZ 3.36Å |
| 564 | S | 95.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66 | -40.3 | 175.3 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | V560 E561 M562 K567 I568 | V560-S564 WeakPolarHBondContact O-CB 3.2Å; V560-S564 PolarHBondContact O-N 3.43Å; V560-S564 PolarHBondContact O-OG 3.23Å; E561-S564 WeakPolarHBondContact O-CB 3.45Å; E561-S564 PolarHBondContact O-N 3.36Å; M562-S564 PolarHBondContact O-N 2.97Å; S564-K567 CarbonylContact O-C 3.6Å; S564-I568 PolarHBondContact O-N 2.92Å |
| 565 | L | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.6 | -37.8 | 176.5 | -69.9 | 176.6 | 0 | 0 | 0 | 112.5 | L418 V421 L550 L557 E561 M562 K567 I568 A575 L612 | L418-L565 HydrophobicContact CD1-CD1 4.18Å; L418-L565 HydrophobicContact CD1-CD2 3.99Å; L418-L565 HydrophobicContact CD1-CG 4.14Å; V421-L565 HydrophobicContact CG1-CD2 4.36Å; L550-L565 HydrophobicContact CD2-CD2 3.64Å; L557-L565 HydrophobicContact CD1-CD1 3.64Å; E561-L565 WeakPolarHBondContact O-CG 3.41Å; E561-L565 PolarHBondContact O-N 2.79Å; M562-L565 PolarHBondContact O-N 2.83Å; M562-L565 VanDerWaalsContact O-N 3.12Å; L565-K567 PolarHBondContact O-N 2.99Å; L565-I568 HydrophobicContact CD2-CD1 4.22Å; L565-I568 WeakPolarHBondContact O-CB 3.15Å; L565-I568 WeakPolarHBondContact O-CG2 3.41Å; L565-I568 PolarHBondContact O-N 3.22Å; L565-I568 VanDerWaalsContact O-N 3.16Å; L565-A575 VanDerWaalsContact O-CB 3.28Å; L565-A575 WeakPolarHBondContact O-CB 3.3Å; L565-L612 HydrophobicContact CD2-CD1 3.98Å |
| 566 | K | 95.8 | Very high | 94.9 | Very high | 50 Ų | 50 | 36.3 Ų | 36.3 | 22% | 0.217 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.1 | -38 | 176.1 | -75.4 | 175.5 | 178.6 | 176.2 | 0 | 112.4 | M562 E563 I614 E654 | M562-K566 HydrophobicContact CG-CD 4.46Å; M562-K566 WeakPolarHBondContact O-CG 3.5Å; M562-K566 PolarHBondContact O-N 3.09Å; M562-K566 HydrophobicContact SD-CG 4.24Å; E563-K566 PolarHBondContact O-N 2.97Å; K566-I614 HydrophobicContact CB-CD1 4.24Å; K566-I614 HydrophobicContact CG-CD1 3.61Å; K566-E654 WeakPolarHBondContact CE-OE2 3.49Å; K566-E654 IonicContact NZ-OE1 3.11Å; K566-E654 PolarHBondContact NZ-OE1 3.42Å; K566-E654 IonicContact NZ-OE2 2.75Å; K566-E654 PolarHBondContact NZ-OE2 3.35Å |
| 567 | K | 94.4 | Very high | 94.9 | Very high | 91 Ų | 91 | 39.8 Ų | 39.8 | 40% | 0.396 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 23 | 179.6 | -57.8 | -174.9 | -179.9 | 146.8 | 0 | 113.2 | Y425 Y429 E563 S564 L565 N569 | Y425-K567 HydrophobicContact CD2-CB 4.28Å; Y425-K567 HydrophobicContact CE2-CB 3.91Å; Y425-K567 HydrophobicContact CE2-CD 3.86Å; Y425-K567 HydrophobicContact CE2-CG 4.25Å; Y429-K567 HydrophobicContact CE2-CB 4.22Å; E563-K567 PolarHBondContact O-N 3.41Å; E563-K567 VanDerWaalsContact OE1-CE 3.32Å; E563-K567 WeakPolarHBondContact OE1-CE 3.23Å; E563-K567 IonicContact OE1-NZ 2.67Å; E563-K567 PolarHBondContact OE1-NZ 3.36Å; S564-K567 CarbonylContact O-C 3.6Å; L565-K567 PolarHBondContact O-N 2.99Å; K567-N569 PolarHBondContact O-N 3.3Å |
| 568 | I | 94.6 | Very high | 95 | Very high | 11 Ų | 11 | 40 Ų | 40 | 6% | 0.056 | 20% | 0.198 | C | C | . | . | trans | -57.3 | 127.9 | -178 | -166.5 | 167.9 | 0 | 0 | 0 | 110.3 | V421 S564 L565 W573 A575 L612 | V421-I568 HydrophobicContact CG1-CD1 4Å; V421-I568 HydrophobicContact CG1-CG1 4.01Å; V421-I568 HydrophobicContact CG2-CD1 3.93Å; S564-I568 PolarHBondContact O-N 2.92Å; L565-I568 HydrophobicContact CD2-CD1 4.22Å; L565-I568 WeakPolarHBondContact O-CB 3.15Å; L565-I568 WeakPolarHBondContact O-CG2 3.41Å; L565-I568 PolarHBondContact O-N 3.22Å; L565-I568 VanDerWaalsContact O-N 3.16Å; I568-W573 CarbonylContact C-O 3.52Å; I568-W573 HydrophobicContact CD1-CB 3.87Å; I568-W573 HydrophobicContact CD1-CE3 4.06Å; I568-W573 HydrophobicContact CG1-CB 4.05Å; I568-W573 HydrophobicContact CG2-CB 4.47Å; I568-A575 HydrophobicContact CG2-CB 3.8Å; I568-L612 HydrophobicContact CD1-CD1 4.43Å | ||
| 569 | N | 91.8 | Very high | 95.1 | Very high | 91 Ų | 91 | 43.1 Ų | 43.1 | 49% | 0.487 | 22% | 0.215 | S | C | . | . | trans | -146.8 | 53.9 | 170.4 | -173.2 | 13.8 | 0 | 0 | 0 | 108.8 | K428 K567 W573 | K428-N569 PolarHBondContact NZ-O 3.03Å; K567-N569 PolarHBondContact O-N 3.3Å; N569-W573 WeakPolarHBondContact CA-O 3.4Å | ||
| 570 | Y | 90.9 | Very high | 95.3 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 21% | 0.212 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -114.8 | 125.8 | -177.1 | -176 | -100.4 | 0 | 0 | 0 | 109.3 | I416 V421 D424 G572 W573 | I416-Y570 HydrophobicContact CD1-CD1 4.4Å; I416-Y570 HydrophobicContact CG1-CD1 4.23Å; I416-Y570 HydrophobicContact CG1-CE1 4.16Å; I416-Y570 HydrophobicContact CG2-CD1 3.74Å; I416-Y570 HydrophobicContact CG2-CE1 3.96Å; V421-Y570 HydrophobicContact CG2-CD1 4.47Å; D424-Y570 HydrophobicContact CB-CD2 3.84Å; D424-Y570 HydrophobicContact CB-CE2 4.46Å; Y570-G572 PolarHBondContact O-N 2.81Å; Y570-G572 VanDerWaalsContact O-N 3.13Å; Y570-W573 WeakPolarHBondContact O-CB 3.28Å; Y570-W573 PolarHBondContact O-N 3.24Å |
| 571 | K | 89.2 | Confident | 95.4 | Very high | 77 Ų | 77 | 42.5 Ų | 42.5 | 34% | 0.335 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 36.9 | -173.6 | -61.6 | -173.1 | -171.4 | 175.5 | 0 | 113.9 | A413 E414 V415 I416 W573 | A413-K571 PolarHBondContact O-NZ 3.28Å; E414-K571 PolarHBondContact O-NZ 2.91Å; V415-K571 PolarHBondContact O-NZ 3.41Å; I416-K571 HydrophobicContact CD1-CB 4.43Å; I416-K571 HydrophobicContact CD1-CD 4.44Å; I416-K571 HydrophobicContact CG1-CD 4.13Å; K571-W573 VanDerWaalsContact C-N 3.27Å; K571-W573 PolarHBondContact O-N 2.94Å |
| 572 | G | 90 | Very high | 95.5 | Very high | 49 Ų | 49 | 41.2 Ų | 41.2 | 51% | 0.505 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 1.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y570 | Y570-G572 PolarHBondContact O-N 2.81Å; Y570-G572 VanDerWaalsContact O-N 3.13Å |
| 573 | W | 94.9 | Very high | 95.6 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 2% | 0.019 | 22% | 0.215 | C | C | . | . | trans | -66.6 | 138.4 | 175.9 | -83.9 | 46.4 | 0 | 0 | 0 | 111.8 | I416 I533 P535 R548 L550 I568 N569 Y570 K571 Q611 L612 | I416-W573 HydrophobicContact CD1-CD2 3.96Å; I416-W573 HydrophobicContact CD1-CG 3.99Å; I416-W573 HydrophobicContact CD1-CZ2 4.12Å; I416-W573 VanDerWaalsContact CD1-NE1 3.31Å; I533-W573 WeakPolarHBondContact O-CH2 3.44Å; P535-W573 HydrophobicContact CG-CZ2 4.12Å; R548-W573 WeakPolarHBondContact O-CZ2 3.45Å; L550-W573 HydrophobicContact CB-CH2 3.64Å; L550-W573 HydrophobicContact CB-CZ3 3.69Å; L550-W573 HydrophobicContact CD2-CZ3 4.42Å; I568-W573 CarbonylContact C-O 3.52Å; I568-W573 HydrophobicContact CD1-CB 3.87Å; I568-W573 HydrophobicContact CD1-CE3 4.06Å; I568-W573 HydrophobicContact CG1-CB 4.05Å; I568-W573 HydrophobicContact CG2-CB 4.47Å; N569-W573 WeakPolarHBondContact CA-O 3.4Å; Y570-W573 WeakPolarHBondContact O-CB 3.28Å; Y570-W573 PolarHBondContact O-N 3.24Å; K571-W573 VanDerWaalsContact C-N 3.27Å; K571-W573 PolarHBondContact O-N 2.94Å; W573-Q611 HydrophobicContact CD2-CB 3.63Å; W573-Q611 HydrophobicContact CD2-CG 3.93Å; W573-Q611 HydrophobicContact CE3-CB 3.64Å; W573-Q611 HydrophobicContact CE3-CG 4.44Å; W573-Q611 HydrophobicContact CG-CB 4.13Å; W573-Q611 HydrophobicContact CG-CG 4.08Å; W573-Q611 HydrophobicContact CH2-CB 4.33Å; W573-Q611 HydrophobicContact CZ2-CB 4.28Å; W573-Q611 HydrophobicContact CZ2-CG 4.43Å; W573-Q611 HydrophobicContact CZ3-CB 4.01Å; W573-L612 HydrophobicContact CE3-CD1 3.95Å; W573-L612 HydrophobicContact CE3-CG 3.88Å; W573-L612 HydrophobicContact CZ3-CD1 3.94Å; W573-L612 HydrophobicContact CZ3-CD2 3.83Å; W573-L612 HydrophobicContact CZ3-CG 3.68Å | ||
| 574 | K | 96.5 | Very high | 95.6 | Very high | 119 Ų | 119 | 47.2 Ų | 47.2 | 52% | 0.517 | 23% | 0.231 | S | C | . | . | trans | -130 | 147.6 | 174 | -59.8 | 177.1 | -173.6 | 173.6 | 0 | 110.3 | Y610 Q611 L612 | K574-Y610 HydrophobicContact CB-CD1 3.67Å; K574-Y610 HydrophobicContact CB-CE1 3.92Å; K574-Q611 PolarHBondContact O-N 3.26Å; K574-Q611 VanDerWaalsContact O-N 3.13Å; K574-L612 PolarHBondContact O-N 2.87Å | ||
| 575 | A | 97.6 | Very high | 95.6 | Very high | 19 Ų | 19 | 57.1 Ų | 57.1 | 16% | 0.157 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 142.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L565 I568 Y610 L612 I614 | L565-A575 VanDerWaalsContact O-CB 3.28Å; L565-A575 WeakPolarHBondContact O-CB 3.3Å; I568-A575 HydrophobicContact CG2-CB 3.8Å; A575-Y610 VanDerWaalsContact C-CD1 3.46Å; A575-Y610 WeakPolarHBondContact O-CE1 3.41Å; A575-L612 CarbonylContact C-O 2.97Å; A575-L612 VanDerWaalsContact CA-O 3.31Å; A575-L612 WeakPolarHBondContact CA-O 3.46Å; A575-L612 HydrophobicContact CB-CB 3.97Å; A575-I614 HydrophobicContact CB-CD1 3.93Å; A575-I614 HydrophobicContact CB-CG1 4.38Å |
| 576 | R | 97.9 | Very high | 95.6 | Very high | 113 Ų | 113 | 61.3 Ų | 61.3 | 43% | 0.426 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 119.9 | 169.6 | -179.6 | 65.8 | -178.6 | -175 | 0.6 | 109.2 | I578 A605 Y610 L612 I613 I614 | R576-I578 HydrophobicContact CG-CG1 4.03Å; R576-A605 HydrophobicContact CB-CB 3.89Å; R576-A605 HydrophobicContact CG-CB 3.86Å; R576-Y610 HydrophobicContact CB-CD1 3.8Å; R576-Y610 HydrophobicContact CB-CE1 4.09Å; R576-Y610 HydrophobicContact CB-CG 4.03Å; R576-L612 PolarHBondContact N-O 2.81Å; R576-I613 WeakPolarHBondContact O-CA 3.35Å; R576-I614 PolarHBondContact O-N 3.1Å |
| 577 | L | 98.3 | Very high | 95.5 | Very high | 75 Ų | 75 | 60 Ų | 60 | 39% | 0.393 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 130.2 | 169.1 | -173.7 | 67.3 | 0 | 0 | 0 | 109.4 | I614 | L577-I614 HydrophobicContact CD1-CB 3.96Å; L577-I614 HydrophobicContact CD1-CG2 3.7Å |
| 578 | I | 98.5 | Very high | 95.7 | Very high | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 117.4 | 174.5 | -55.6 | 178.4 | 0 | 0 | 0 | 107.8 | R576 T580 I598 D601 A602 I613 I614 L615 S616 | R576-I578 HydrophobicContact CG-CG1 4.03Å; I578-T580 PolarHBondContact O-N 3.08Å; I578-I598 HydrophobicContact CG2-CB 4.43Å; I578-I598 HydrophobicContact CG2-CG1 4.2Å; I578-I598 HydrophobicContact CG2-CG2 4.07Å; I578-D601 HydrophobicContact CD1-CB 3.89Å; I578-D601 HydrophobicContact CG1-CB 4.37Å; I578-D601 HydrophobicContact CG2-CB 4.25Å; I578-A602 HydrophobicContact CD1-CB 3.88Å; I578-I613 HydrophobicContact CD1-CG2 3.57Å; I578-I613 HydrophobicContact CG1-CG2 4.17Å; I578-I614 PolarHBondContact N-O 3.42Å; I578-L615 HydrophobicContact CB-CD2 4.12Å; I578-L615 HydrophobicContact CD1-CD2 4.43Å; I578-S616 PolarHBondContact O-N 3.44Å |
| 579 | D | 98.1 | Very high | 95.7 | Very high | 69 Ų | 69 | 63 Ų | 63 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 127.2 | 177.7 | -56.4 | -46.6 | 0 | 0 | 0 | 110 | V581 R597 S616 A619 | D579-V581 VanDerWaalsContact C-N 3.32Å; D579-V581 HydrophobicContact CB-CG2 4.2Å; D579-V581 PolarHBondContact O-N 3.48Å; D579-R597 PolarHBondContact O-NH2 2.88Å; D579-S616 CarbonylContact C-O 3.51Å; D579-S616 WeakPolarHBondContact CA-O 3.29Å; D579-A619 HydrophobicContact CB-CB 4.32Å |
| 580 | T | 98 | Very high | 95.9 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | trans | -98.1 | 51.5 | 178.2 | 59.5 | 0 | 0 | 0 | 0 | 111 | I578 I598 L615 S616 D617 I627 A632 | I578-T580 PolarHBondContact O-N 3.08Å; T580-I598 HydrophobicContact CG2-CD1 4.16Å; T580-L615 HydrophobicContact CG2-CB 3.84Å; T580-L615 HydrophobicContact CG2-CD2 4.33Å; T580-S616 PolarHBondContact N-O 2.72Å; T580-S616 PolarHBondContact OG1-O 2.96Å; T580-S616 VanDerWaalsContact OG1-O 3.13Å; T580-D617 PolarHBondContact OG1-N 3.21Å; T580-I627 WeakPolarHBondContact O-CB 3.46Å; T580-I627 PolarHBondContact O-N 3.46Å; T580-A632 HydrophobicContact CG2-CB 3.68Å | ||
| 581 | V | 97.8 | Very high | 96.2 | Very high | 10 Ų | 10 | 56.8 Ų | 56.8 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 161 | 177.3 | -57.2 | 0 | 0 | 0 | 0 | 111 | D579 R597 A619 V620 Y624 V625 | D579-V581 VanDerWaalsContact C-N 3.32Å; D579-V581 HydrophobicContact CB-CG2 4.2Å; D579-V581 PolarHBondContact O-N 3.48Å; V581-R597 PolarHBondContact O-NH2 3.14Å; V581-A619 HydrophobicContact CG1-CB 4.29Å; V581-A619 HydrophobicContact CG2-CB 4.05Å; V581-V620 HydrophobicContact CG1-CB 4.47Å; V581-Y624 HydrophobicContact CB-CD1 4.36Å; V581-Y624 HydrophobicContact CG2-CD1 3.7Å; V581-Y624 HydrophobicContact CG2-CE1 4.46Å; V581-Y624 HydrophobicContact CG2-CG 4.2Å; V581-V625 CarbonylContact C-O 3.33Å; V581-V625 VanDerWaalsContact CA-O 3.26Å; V581-V625 WeakPolarHBondContact CA-O 3.26Å; V581-V625 WeakPolarHBondContact CB-O 3.1Å |
| 582 | Y | 97.6 | Very high | 96.6 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 2% | 0.024 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 151.4 | 170.1 | 68.4 | -85.3 | 0 | 0 | 0 | 111.9 | R584 G587 A594 Y624 V625 I627 | Y582-R584 PolarHBondContact O-N 3.15Å; Y582-G587 WeakPolarHBondContact CE2-O 3.41Å; Y582-A594 HydrophobicContact CD1-CB 4.46Å; Y582-A594 HydrophobicContact CG-CB 4.28Å; Y582-Y624 WeakPolarHBondContact O-CA 2.89Å; Y582-V625 HydrophobicContact CD1-CB 4.24Å; Y582-V625 HydrophobicContact CD2-CB 4.49Å; Y582-V625 HydrophobicContact CE1-CB 3.81Å; Y582-V625 HydrophobicContact CE1-CG1 3.78Å; Y582-V625 HydrophobicContact CE2-CB 4.07Å; Y582-V625 HydrophobicContact CE2-CG1 4.47Å; Y582-V625 HydrophobicContact CE2-CG2 4.36Å; Y582-V625 PolarHBondContact N-O 2.74Å; Y582-V625 PolarHBondContact O-N 2.77Å; Y582-I627 HydrophobicContact CD1-CD1 4.27Å; Y582-I627 HydrophobicContact CD1-CG1 3.71Å; Y582-I627 HydrophobicContact CE1-CG1 4.18Å |
| 583 | P | 97.4 | Very high | 97 | Very high | 31 Ų | 31 | 57.9 Ų | 57.9 | 20% | 0.201 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 130.4 | 179.3 | -21.6 | 30.2 | 0 | 0 | 0 | 112.4 | R585 H586 D623 Y624 | P583-R585 HydrophobicContact CB-CG 3.89Å; P583-R585 PolarHBondContact O-N 3.01Å; P583-R585 VanDerWaalsContact O-N 3.1Å; P583-H586 PolarHBondContact O-N 3.21Å; P583-D623 WeakPolarHBondContact CA-O 3.48Å; P583-Y624 HydrophobicContact CG-CE1 4.1Å |
| 584 | R | 95.4 | Very high | 97.1 | Very high | 113 Ų | 113 | 58 Ų | 58 | 43% | 0.426 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -52.9 | -34.9 | 179.5 | -176.2 | -170.6 | 174.1 | -159.9 | -3.5 | 113 | Y582 H586 G587 D623 V625 | Y582-R584 PolarHBondContact O-N 3.15Å; R584-H586 PolarHBondContact O-N 3.23Å; R584-G587 PolarHBondContact O-N 3.38Å; R584-D623 PolarHBondContact N-O 2.79Å; R584-V625 HydrophobicContact CB-CG2 3.85Å; R584-V625 HydrophobicContact CG-CG2 4.11Å |
| 585 | R | 95.9 | Very high | 97.2 | Very high | 209 Ų | 209 | 52.4 Ų | 52.4 | 79% | 0.789 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -56.6 | -21.4 | 179.1 | 64.7 | 176.9 | 177 | -131 | 0.5 | 114.5 | P583 G587 | P583-R585 HydrophobicContact CB-CG 3.89Å; P583-R585 PolarHBondContact O-N 3.01Å; P583-R585 VanDerWaalsContact O-N 3.1Å; R585-G587 VanDerWaalsContact C-N 3.3Å |
| 586 | H | 96.1 | Very high | 97.2 | Very high | 88 Ų | 88 | 55.1 Ų | 55.1 | 41% | 0.407 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -82.6 | -9.7 | 178 | -64 | -58.1 | 0 | 0 | 0 | 113.2 | P583 R584 T589 G590 | P583-H586 PolarHBondContact O-N 3.21Å; R584-H586 PolarHBondContact O-N 3.23Å; H586-T589 PolarHBondContact O-N 3.31Å; H586-T589 PolarHBondContact O-OG1 2.84Å; H586-G590 PolarHBondContact O-N 2.94Å |
| 587 | G | 95.6 | Very high | 97.2 | Very high | 23 Ų | 23 | 54.2 Ų | 54.2 | 24% | 0.237 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | 52.2 | -146.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y582 R584 R585 T589 G590 | Y582-G587 WeakPolarHBondContact CE2-O 3.41Å; R584-G587 PolarHBondContact O-N 3.38Å; R585-G587 VanDerWaalsContact C-N 3.3Å; G587-T589 VanDerWaalsContact C-N 3.27Å; G587-T589 PolarHBondContact O-N 3.04Å; G587-G590 PolarHBondContact O-N 3.06Å; G587-G590 VanDerWaalsContact O-N 3.07Å |
| 588 | V | 96.7 | Very high | 97.2 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -56.4 | -41.4 | -177.5 | 175 | 0 | 0 | 0 | 0 | 111.9 | G590 L591 E762 A765 E766 L769 | V588-G590 PolarHBondContact O-N 3.23Å; V588-G590 VanDerWaalsContact O-N 3.12Å; V588-L591 PolarHBondContact O-N 3.07Å; V588-E762 HydrophobicContact CG1-CB 3.8Å; V588-E762 HydrophobicContact CG1-CG 4.08Å; V588-A765 HydrophobicContact CB-CB 4.4Å; V588-A765 HydrophobicContact CG1-CB 4.06Å; V588-E766 HydrophobicContact CG2-CB 4.43Å; V588-L769 HydrophobicContact CB-CD1 4.47Å; V588-L769 HydrophobicContact CG2-CD1 3.77Å |
| 589 | T | 95.8 | Very high | 97.2 | Very high | 113 Ų | 113 | 50.7 Ų | 50.7 | 69% | 0.693 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -68.3 | -11.4 | -178.3 | 63.4 | 0 | 0 | 0 | 0 | 114.1 | H586 G587 P593 | H586-T589 PolarHBondContact O-N 3.31Å; H586-T589 PolarHBondContact O-OG1 2.84Å; G587-T589 VanDerWaalsContact C-N 3.27Å; G587-T589 PolarHBondContact O-N 3.04Å; T589-P593 WeakPolarHBondContact O-CD 3.49Å; T589-P593 WeakPolarHBondContact O-CG 3.39Å |
| 590 | G | 96.1 | Very high | 97.2 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 6% | 0.062 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -73.1 | -24.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | H586 G587 V588 A594 | H586-G590 PolarHBondContact O-N 2.94Å; G587-G590 PolarHBondContact O-N 3.06Å; G587-G590 VanDerWaalsContact O-N 3.07Å; V588-G590 PolarHBondContact O-N 3.23Å; V588-G590 VanDerWaalsContact O-N 3.12Å; G590-A594 WeakPolarHBondContact O-CB 3.19Å; G590-A594 PolarHBondContact O-N 3.31Å; G590-A594 VanDerWaalsContact O-N 3.16Å |
| 591 | L | 97.3 | Very high | 97.2 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.3 | -51 | -171.9 | 177.5 | 60.5 | 0 | 0 | 0 | 112.9 | V588 A594 L595 I627 L631 F761 A765 | V588-L591 PolarHBondContact O-N 3.07Å; L591-A594 PolarHBondContact O-N 3.35Å; L591-L595 HydrophobicContact CD1-CD1 4.28Å; L591-L595 HydrophobicContact CD1-CG 4.36Å; L591-L595 HydrophobicContact CG-CD1 4.31Å; L591-L595 PolarHBondContact O-N 3.41Å; L591-I627 HydrophobicContact CD1-CB 4.47Å; L591-I627 HydrophobicContact CD1-CD1 4.35Å; L591-I627 HydrophobicContact CD1-CG1 4.05Å; L591-I627 HydrophobicContact CD1-CG2 3.9Å; L591-L631 HydrophobicContact CD1-CD1 4.41Å; L591-L631 HydrophobicContact CD2-CD1 4.31Å; L591-F761 HydrophobicContact CD2-CB 4.43Å; L591-F761 HydrophobicContact CD2-CD1 3.98Å; L591-F761 WeakPolarHBondContact CD2-O 3.45Å; L591-F761 HydrophobicContact CG-CD1 4.49Å; L591-A765 HydrophobicContact CB-CB 3.95Å; L591-A765 HydrophobicContact CD2-CB 3.86Å |
| 592 | L | 96.9 | Very high | 97.2 | Very high | 68 Ų | 68 | 50.9 Ų | 50.9 | 36% | 0.356 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.8 | -52.3 | -176.8 | -89.4 | 166.3 | 0 | 0 | 0 | 112.7 | A594 L595 D596 K747 F761 | L592-A594 PolarHBondContact O-N 3.08Å; L592-L595 WeakPolarHBondContact O-CB 3.5Å; L592-L595 PolarHBondContact O-N 3.37Å; L592-L595 VanDerWaalsContact O-N 3.16Å; L592-D596 PolarHBondContact O-N 3.29Å; L592-K747 HydrophobicContact CD2-CD 3.91Å; L592-F761 HydrophobicContact CD1-CB 4.19Å; L592-F761 HydrophobicContact CD1-CD2 4.23Å; L592-F761 HydrophobicContact CD1-CG 4.34Å; L592-F761 HydrophobicContact CD2-CD1 4.35Å; L592-F761 HydrophobicContact CD2-CD2 3.73Å; L592-F761 HydrophobicContact CD2-CE1 4.45Å; L592-F761 HydrophobicContact CD2-CE2 3.85Å; L592-F761 HydrophobicContact CD2-CG 3.99Å; L592-F761 HydrophobicContact CD2-CZ 4.22Å; L592-F761 HydrophobicContact CG-CB 4.14Å; L592-F761 HydrophobicContact CG-CD1 4.48Å; L592-F761 HydrophobicContact CG-CD2 4.11Å; L592-F761 HydrophobicContact CG-CG 4Å |
| 593 | P | 97.7 | Very high | 97.2 | Very high | 81 Ų | 81 | 51.1 Ų | 51.1 | 53% | 0.526 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.2 | -34.1 | 175.3 | -24.9 | 34.6 | 0 | 0 | 0 | 113.2 | T589 D596 R597 | T589-P593 WeakPolarHBondContact O-CD 3.49Å; T589-P593 WeakPolarHBondContact O-CG 3.39Å; P593-D596 PolarHBondContact O-N 3.23Å; P593-R597 PolarHBondContact O-N 3.3Å |
| 594 | A | 97.9 | Very high | 97.3 | Very high | 8 Ų | 8 | 54 Ų | 54 | 7% | 0.066 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.4 | -38.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y582 G590 L591 L592 D596 R597 I598 I627 | Y582-A594 HydrophobicContact CD1-CB 4.46Å; Y582-A594 HydrophobicContact CG-CB 4.28Å; G590-A594 WeakPolarHBondContact O-CB 3.19Å; G590-A594 PolarHBondContact O-N 3.31Å; G590-A594 VanDerWaalsContact O-N 3.16Å; L591-A594 PolarHBondContact O-N 3.35Å; L592-A594 PolarHBondContact O-N 3.08Å; A594-D596 VanDerWaalsContact C-N 3.34Å; A594-R597 PolarHBondContact O-N 2.61Å; A594-I598 WeakPolarHBondContact O-CD1 3.42Å; A594-I598 WeakPolarHBondContact O-CG1 3.24Å; A594-I598 PolarHBondContact O-N 2.9Å; A594-I627 HydrophobicContact CB-CD1 3.56Å |
| 595 | L | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 170.2 | -75.2 | 171.5 | 0 | 0 | 0 | 111.6 | L591 L592 I598 C599 I627 L631 A635 F761 | L591-L595 HydrophobicContact CD1-CD1 4.28Å; L591-L595 HydrophobicContact CD1-CG 4.36Å; L591-L595 HydrophobicContact CG-CD1 4.31Å; L591-L595 PolarHBondContact O-N 3.41Å; L592-L595 WeakPolarHBondContact O-CB 3.5Å; L592-L595 PolarHBondContact O-N 3.37Å; L592-L595 VanDerWaalsContact O-N 3.16Å; L595-I598 PolarHBondContact O-N 3.42Å; L595-C599 PolarHBondContact O-N 3.31Å; L595-C599 PolarHBondContact O-SG 3.06Å; L595-I627 HydrophobicContact CD2-CG2 3.85Å; L595-I627 HydrophobicContact CG-CG2 4.47Å; L595-L631 HydrophobicContact CD2-CB 4.15Å; L595-A635 HydrophobicContact CD2-CB 4.14Å; L595-F761 HydrophobicContact CD1-CD1 4.28Å; L595-F761 HydrophobicContact CD1-CE1 3.73Å |
| 596 | D | 98 | Very high | 97.3 | Very high | 76 Ų | 76 | 39 Ų | 39 | 41% | 0.406 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 177.2 | -70.5 | -29 | 0 | 0 | 0 | 112.1 | L592 P593 A594 C599 A600 K747 | L592-D596 PolarHBondContact O-N 3.29Å; P593-D596 PolarHBondContact O-N 3.23Å; A594-D596 VanDerWaalsContact C-N 3.34Å; D596-C599 PolarHBondContact O-N 2.84Å; D596-A600 WeakPolarHBondContact O-CB 3.24Å; D596-A600 PolarHBondContact O-N 3.04Å; D596-K747 WeakPolarHBondContact OD1-CE 3.47Å; D596-K747 IonicContact OD1-NZ 3.69Å; D596-K747 PolarHBondContact OD1-NZ 3.48Å; D596-K747 IonicContact OD2-NZ 3.36Å |
| 597 | R | 98.1 | Very high | 97.3 | Very high | 94 Ų | 94 | 40.5 Ų | 40.5 | 36% | 0.355 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.8 | -49.8 | 172.5 | -179.1 | -166.8 | 64.2 | 87.9 | -8.3 | 111.3 | D579 V581 P593 A594 C599 A600 D601 | D579-R597 PolarHBondContact O-NH2 2.88Å; V581-R597 PolarHBondContact O-NH2 3.14Å; P593-R597 PolarHBondContact O-N 3.3Å; A594-R597 PolarHBondContact O-N 2.61Å; R597-C599 VanDerWaalsContact C-N 3.31Å; R597-C599 PolarHBondContact O-N 3.12Å; R597-A600 PolarHBondContact O-N 3.16Å; R597-D601 IonicContact CZ-OD2 3.69Å; R597-D601 IonicContact NH1-OD2 3.01Å; R597-D601 PolarHBondContact NH1-OD2 2.74Å; R597-D601 WeakPolarHBondContact O-CB 3.42Å; R597-D601 VanDerWaalsContact O-CG 3.29Å; R597-D601 PolarHBondContact O-N 2.67Å |
| 598 | I | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | -178 | -67.5 | 160.4 | 0 | 0 | 0 | 110.6 | I578 T580 A594 L595 A602 L615 I627 V636 | I578-I598 HydrophobicContact CG2-CB 4.43Å; I578-I598 HydrophobicContact CG2-CG1 4.2Å; I578-I598 HydrophobicContact CG2-CG2 4.07Å; T580-I598 HydrophobicContact CG2-CD1 4.16Å; A594-I598 WeakPolarHBondContact O-CD1 3.42Å; A594-I598 WeakPolarHBondContact O-CG1 3.24Å; A594-I598 PolarHBondContact O-N 2.9Å; L595-I598 PolarHBondContact O-N 3.42Å; I598-A602 VanDerWaalsContact O-CB 3.27Å; I598-A602 WeakPolarHBondContact O-CB 3.12Å; I598-A602 PolarHBondContact O-N 2.66Å; I598-L615 HydrophobicContact CG2-CD2 4.07Å; I598-I627 HydrophobicContact CD1-CD1 3.48Å; I598-I627 VanDerWaalsContact CD1-CD1 3.48Å; I598-V636 HydrophobicContact CG2-CG2 3.57Å |
| 599 | C | 98.3 | Very high | 97.2 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.034 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62 | -44.1 | 174.1 | -71.8 | 0 | 0 | 0 | 0 | 112.4 | L595 D596 R597 A602 C603 Y639 | L595-C599 PolarHBondContact O-N 3.31Å; L595-C599 PolarHBondContact O-SG 3.06Å; D596-C599 PolarHBondContact O-N 2.84Å; R597-C599 VanDerWaalsContact C-N 3.31Å; R597-C599 PolarHBondContact O-N 3.12Å; C599-A602 PolarHBondContact O-N 3.01Å; C599-C603 WeakPolarHBondContact O-CB 3.21Å; C599-C603 PolarHBondContact O-N 3.5Å; C599-Y639 HydrophobicContact CB-CD1 4.03Å; C599-Y639 HydrophobicContact CB-CD2 4.03Å; C599-Y639 HydrophobicContact CB-CE1 4.5Å; C599-Y639 HydrophobicContact CB-CE2 4.49Å; C599-Y639 HydrophobicContact CB-CG 3.78Å |
| 600 | A | 98.1 | Very high | 97.3 | Very high | 40 Ų | 40 | 41.7 Ų | 41.7 | 33% | 0.331 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.6 | -46.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D596 R597 A602 C603 I604 | D596-A600 WeakPolarHBondContact O-CB 3.24Å; D596-A600 PolarHBondContact O-N 3.04Å; R597-A600 PolarHBondContact O-N 3.16Å; A600-A602 VanDerWaalsContact C-N 3.28Å; A600-A602 PolarHBondContact O-N 2.71Å; A600-C603 WeakPolarHBondContact O-CB 3.2Å; A600-C603 PolarHBondContact O-N 3.2Å; A600-C603 VanDerWaalsContact O-N 3.13Å; A600-I604 WeakPolarHBondContact O-CG1 3.02Å; A600-I604 PolarHBondContact O-N 3.49Å |
| 601 | D | 98.2 | Very high | 97.3 | Very high | 46 Ų | 46 | 43.2 Ų | 43.2 | 25% | 0.246 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.1 | -40.9 | 176.8 | -71.8 | -16.9 | 0 | 0 | 0 | 110.9 | I578 R597 A605 | I578-D601 HydrophobicContact CD1-CB 3.89Å; I578-D601 HydrophobicContact CG1-CB 4.37Å; I578-D601 HydrophobicContact CG2-CB 4.25Å; R597-D601 IonicContact CZ-OD2 3.69Å; R597-D601 IonicContact NH1-OD2 3.01Å; R597-D601 PolarHBondContact NH1-OD2 2.74Å; R597-D601 WeakPolarHBondContact O-CB 3.42Å; R597-D601 VanDerWaalsContact O-CG 3.29Å; R597-D601 PolarHBondContact O-N 2.67Å; D601-A605 WeakPolarHBondContact O-CB 3.22Å; D601-A605 PolarHBondContact O-N 2.68Å |
| 602 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67 | -38.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I578 I598 C599 A600 A605 A606 I613 V636 | I578-A602 HydrophobicContact CD1-CB 3.88Å; I598-A602 VanDerWaalsContact O-CB 3.27Å; I598-A602 WeakPolarHBondContact O-CB 3.12Å; I598-A602 PolarHBondContact O-N 2.66Å; C599-A602 PolarHBondContact O-N 3.01Å; A600-A602 VanDerWaalsContact C-N 3.28Å; A600-A602 PolarHBondContact O-N 2.71Å; A602-A605 PolarHBondContact O-N 2.97Å; A602-A606 PolarHBondContact O-N 2.88Å; A602-I613 HydrophobicContact CB-CD1 3.9Å; A602-I613 WeakPolarHBondContact O-CD1 3.25Å; A602-V636 HydrophobicContact CB-CG1 3.65Å; A602-V636 HydrophobicContact CB-CG2 4.18Å |
| 603 | C | 97.5 | Very high | 97.4 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.2 | -48 | 175.7 | -169.3 | 0 | 0 | 0 | 0 | 111.5 | C599 A600 A605 A606 M607 Y639 L645 | C599-C603 WeakPolarHBondContact O-CB 3.21Å; C599-C603 PolarHBondContact O-N 3.5Å; A600-C603 WeakPolarHBondContact O-CB 3.2Å; A600-C603 PolarHBondContact O-N 3.2Å; A600-C603 VanDerWaalsContact O-N 3.13Å; C603-A605 VanDerWaalsContact C-N 3.34Å; C603-A605 PolarHBondContact O-N 3.01Å; C603-A606 PolarHBondContact O-N 3.35Å; C603-M607 WeakPolarHBondContact O-CG 3.44Å; C603-M607 PolarHBondContact O-N 2.85Å; C603-Y639 HydrophobicContact CB-CD1 4.35Å; C603-Y639 HydrophobicContact CB-CE1 3.81Å; C603-L645 VanDerWaalsContact SG-CD1 3.57Å |
| 604 | I | 98 | Very high | 97.4 | Very high | 90 Ų | 90 | 35.8 Ų | 35.8 | 46% | 0.462 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59 | -46.8 | 176.2 | -66.9 | 165 | 0 | 0 | 0 | 110 | A600 A606 M607 D608 | A600-I604 WeakPolarHBondContact O-CG1 3.02Å; A600-I604 PolarHBondContact O-N 3.49Å; I604-A606 VanDerWaalsContact C-N 3.29Å; I604-A606 PolarHBondContact O-N 2.87Å; I604-M607 PolarHBondContact O-N 3.34Å; I604-M607 VanDerWaalsContact O-N 3.09Å; I604-D608 WeakPolarHBondContact O-CB 3.4Å; I604-D608 PolarHBondContact O-N 3.41Å |
| 605 | A | 97.5 | Very high | 97.5 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.5 | -40.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R576 D601 A602 C603 D608 G609 Y610 I613 | R576-A605 HydrophobicContact CB-CB 3.89Å; R576-A605 HydrophobicContact CG-CB 3.86Å; D601-A605 WeakPolarHBondContact O-CB 3.22Å; D601-A605 PolarHBondContact O-N 2.68Å; A602-A605 PolarHBondContact O-N 2.97Å; C603-A605 VanDerWaalsContact C-N 3.34Å; C603-A605 PolarHBondContact O-N 3.01Å; A605-D608 PolarHBondContact O-N 3.21Å; A605-G609 PolarHBondContact O-N 2.82Å; A605-Y610 HydrophobicContact CB-CD2 4.24Å; A605-Y610 HydrophobicContact CB-CG 4.49Å; A605-Y610 WeakPolarHBondContact O-CB 3.49Å; A605-Y610 WeakPolarHBondContact O-CD2 3.35Å; A605-Y610 PolarHBondContact O-N 2.8Å; A605-I613 HydrophobicContact CB-CD1 4.22Å; A605-I613 HydrophobicContact CB-CG1 4.22Å |
| 606 | A | 95.9 | Very high | 97.5 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 3% | 0.033 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.4 | -36 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A602 C603 I604 L640 L645 V649 | A602-A606 PolarHBondContact O-N 2.88Å; C603-A606 PolarHBondContact O-N 3.35Å; I604-A606 VanDerWaalsContact C-N 3.29Å; I604-A606 PolarHBondContact O-N 2.87Å; A606-L640 HydrophobicContact CB-CD2 4.26Å; A606-L645 HydrophobicContact CB-CB 4.14Å; A606-L645 HydrophobicContact CB-CD1 4.3Å; A606-V649 HydrophobicContact CB-CG1 3.63Å |
| 607 | M | 95.4 | Very high | 97.5 | Very high | 121 Ų | 121 | 32 Ų | 32 | 60% | 0.596 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -71.5 | -38.1 | 175.8 | -69.2 | -177.8 | 178.2 | 0 | 0 | 112.5 | C603 I604 G609 L645 | C603-M607 WeakPolarHBondContact O-CG 3.44Å; C603-M607 PolarHBondContact O-N 2.85Å; I604-M607 PolarHBondContact O-N 3.34Å; I604-M607 VanDerWaalsContact O-N 3.09Å; M607-G609 PolarHBondContact O-N 2.9Å; M607-G609 VanDerWaalsContact O-N 3.16Å; M607-L645 HydrophobicContact CE-CD1 3.87Å; M607-L645 HydrophobicContact CG-CD1 4Å |
| 608 | D | 95.9 | Very high | 97.3 | Very high | 115 Ų | 115 | 30 Ų | 30 | 62% | 0.615 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -2 | 177.6 | -73.2 | -11.2 | 0 | 0 | 0 | 113.3 | I604 A605 Y610 | I604-D608 WeakPolarHBondContact O-CB 3.4Å; I604-D608 PolarHBondContact O-N 3.41Å; A605-D608 PolarHBondContact O-N 3.21Å; D608-Y610 HydrophobicContact CB-CD2 3.95Å; D608-Y610 HydrophobicContact CB-CE2 4.02Å |
| 609 | G | 94.2 | Very high | 97.1 | Very high | 39 Ų | 39 | 32 Ų | 32 | 40% | 0.402 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 28.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | A605 M607 Q611 | A605-G609 PolarHBondContact O-N 2.82Å; M607-G609 PolarHBondContact O-N 2.9Å; M607-G609 VanDerWaalsContact O-N 3.16Å; G609-Q611 PolarHBondContact O-NE2 2.81Å |
| 610 | Y | 97 | Very high | 96.9 | Very high | 59 Ų | 59 | 32.6 Ų | 32.6 | 23% | 0.231 | 19% | 0.185 | C | C | . | . | trans | -70.9 | 140.6 | 164.7 | -73.2 | -96.8 | 0 | 0 | 0 | 110.1 | K574 A575 R576 A605 D608 V649 | K574-Y610 HydrophobicContact CB-CD1 3.67Å; K574-Y610 HydrophobicContact CB-CE1 3.92Å; A575-Y610 VanDerWaalsContact C-CD1 3.46Å; A575-Y610 WeakPolarHBondContact O-CE1 3.41Å; R576-Y610 HydrophobicContact CB-CD1 3.8Å; R576-Y610 HydrophobicContact CB-CE1 4.09Å; R576-Y610 HydrophobicContact CB-CG 4.03Å; A605-Y610 HydrophobicContact CB-CD2 4.24Å; A605-Y610 HydrophobicContact CB-CG 4.49Å; A605-Y610 WeakPolarHBondContact O-CB 3.49Å; A605-Y610 WeakPolarHBondContact O-CD2 3.35Å; A605-Y610 PolarHBondContact O-N 2.8Å; D608-Y610 HydrophobicContact CB-CD2 3.95Å; D608-Y610 HydrophobicContact CB-CE2 4.02Å; Y610-V649 WeakPolarHBondContact O-CG1 3.25Å | ||
| 611 | Q | 96.8 | Very high | 96.6 | Very high | 39 Ų | 39 | 31.6 Ų | 31.6 | 18% | 0.182 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -92.2 | -24.4 | 179.8 | -70.4 | 71.5 | 33.5 | 0 | 0 | 112.3 | P535 W573 K574 G609 V649 G650 | P535-Q611 HydrophobicContact CG-CB 4.29Å; P535-Q611 HydrophobicContact CG-CG 3.78Å; W573-Q611 HydrophobicContact CD2-CB 3.63Å; W573-Q611 HydrophobicContact CD2-CG 3.93Å; W573-Q611 HydrophobicContact CE3-CB 3.64Å; W573-Q611 HydrophobicContact CE3-CG 4.44Å; W573-Q611 HydrophobicContact CG-CB 4.13Å; W573-Q611 HydrophobicContact CG-CG 4.08Å; W573-Q611 HydrophobicContact CH2-CB 4.33Å; W573-Q611 HydrophobicContact CZ2-CB 4.28Å; W573-Q611 HydrophobicContact CZ2-CG 4.43Å; W573-Q611 HydrophobicContact CZ3-CB 4.01Å; K574-Q611 PolarHBondContact O-N 3.26Å; K574-Q611 VanDerWaalsContact O-N 3.13Å; G609-Q611 PolarHBondContact O-NE2 2.81Å; Q611-V649 CarbonylContact O-C 3.58Å; Q611-V649 WeakPolarHBondContact O-CA 3.32Å; Q611-G650 PolarHBondContact O-N 3.28Å |
| 612 | L | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 138.5 | 179.6 | -67 | 176.7 | 0 | 0 | 0 | 110.7 | I533 L550 L565 I568 W573 K574 A575 R576 G650 V652 | I533-L612 HydrophobicContact CD1-CD2 4.16Å; L550-L612 HydrophobicContact CD2-CD1 4.37Å; L565-L612 HydrophobicContact CD2-CD1 3.98Å; I568-L612 HydrophobicContact CD1-CD1 4.43Å; W573-L612 HydrophobicContact CE3-CD1 3.95Å; W573-L612 HydrophobicContact CE3-CG 3.88Å; W573-L612 HydrophobicContact CZ3-CD1 3.94Å; W573-L612 HydrophobicContact CZ3-CD2 3.83Å; W573-L612 HydrophobicContact CZ3-CG 3.68Å; K574-L612 PolarHBondContact O-N 2.87Å; A575-L612 CarbonylContact C-O 2.97Å; A575-L612 VanDerWaalsContact CA-O 3.31Å; A575-L612 WeakPolarHBondContact CA-O 3.46Å; A575-L612 HydrophobicContact CB-CB 3.97Å; R576-L612 PolarHBondContact N-O 2.81Å; L612-G650 WeakPolarHBondContact CA-O 3.38Å; L612-V652 HydrophobicContact CD2-CG2 4.31Å |
| 613 | I | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123.6 | 168.8 | -60.3 | 173.9 | 0 | 0 | 0 | 106.9 | R576 I578 A602 A605 L615 L640 V649 G650 L651 V652 | R576-I613 WeakPolarHBondContact O-CA 3.35Å; I578-I613 HydrophobicContact CD1-CG2 3.57Å; I578-I613 HydrophobicContact CG1-CG2 4.17Å; A602-I613 HydrophobicContact CB-CD1 3.9Å; A602-I613 WeakPolarHBondContact O-CD1 3.25Å; A605-I613 HydrophobicContact CB-CD1 4.22Å; A605-I613 HydrophobicContact CB-CG1 4.22Å; I613-L615 HydrophobicContact CG2-CD2 3.98Å; I613-L640 HydrophobicContact CD1-CD1 4.35Å; I613-V649 HydrophobicContact CD1-CB 4.15Å; I613-V649 HydrophobicContact CD1-CG1 4.12Å; I613-V649 HydrophobicContact CD1-CG2 3.92Å; I613-V649 HydrophobicContact CG1-CB 4.32Å; I613-V649 HydrophobicContact CG1-CG1 4.41Å; I613-G650 PolarHBondContact N-O 3.47Å; I613-L651 HydrophobicContact CB-CD2 3.9Å; I613-L651 HydrophobicContact CD1-CD2 4.22Å; I613-L651 HydrophobicContact CG2-CD2 4.34Å; I613-V652 PolarHBondContact O-N 3.03Å |
| 614 | I | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 113.6 | 178.6 | -55.9 | 175.1 | 0 | 0 | 0 | 107.4 | M562 K566 A575 R576 L577 I578 V652 | M562-I614 HydrophobicContact CE-CG2 4.38Å; M562-I614 HydrophobicContact SD-CD1 4.26Å; M562-I614 HydrophobicContact SD-CG2 3.97Å; K566-I614 HydrophobicContact CB-CD1 4.24Å; K566-I614 HydrophobicContact CG-CD1 3.61Å; A575-I614 HydrophobicContact CB-CD1 3.93Å; A575-I614 HydrophobicContact CB-CG1 4.38Å; R576-I614 PolarHBondContact O-N 3.1Å; L577-I614 HydrophobicContact CD1-CB 3.96Å; L577-I614 HydrophobicContact CD1-CG2 3.7Å; I578-I614 PolarHBondContact N-O 3.42Å; I614-V652 CarbonylContact C-O 3.48Å; I614-V652 WeakPolarHBondContact CA-O 3.35Å; I614-V652 HydrophobicContact CG1-CB 4.23Å |
| 615 | L | 98.7 | Very high | 96.1 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 119.4 | 173.6 | -58.2 | -178.2 | 0 | 0 | 0 | 108 | I578 T580 I598 I613 A632 V633 V636 V652 E654 | I578-L615 HydrophobicContact CB-CD2 4.12Å; I578-L615 HydrophobicContact CD1-CD2 4.43Å; T580-L615 HydrophobicContact CG2-CB 3.84Å; T580-L615 HydrophobicContact CG2-CD2 4.33Å; I598-L615 HydrophobicContact CG2-CD2 4.07Å; I613-L615 HydrophobicContact CG2-CD2 3.98Å; L615-A632 HydrophobicContact CD1-CB 4.43Å; L615-V633 HydrophobicContact CD1-CB 4.07Å; L615-V633 HydrophobicContact CD1-CG2 4.26Å; L615-V636 HydrophobicContact CD1-CB 4.44Å; L615-V636 HydrophobicContact CD1-CG2 4.28Å; L615-V636 HydrophobicContact CD2-CG2 4.34Å; L615-V652 PolarHBondContact N-O 3.08Å; L615-E654 PolarHBondContact O-N 3.45Å |
| 616 | S | 98.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 130 | -174.1 | -175.7 | 0 | 0 | 0 | 0 | 113.1 | I578 D579 T580 R618 E654 | I578-S616 PolarHBondContact O-N 3.44Å; D579-S616 CarbonylContact C-O 3.51Å; D579-S616 WeakPolarHBondContact CA-O 3.29Å; T580-S616 PolarHBondContact N-O 2.72Å; T580-S616 PolarHBondContact OG1-O 2.96Å; T580-S616 VanDerWaalsContact OG1-O 3.13Å; S616-R618 WeakPolarHBondContact OG-CB 3.48Å; S616-R618 PolarHBondContact OG-N 3.43Å; S616-E654 WeakPolarHBondContact CA-O 3.5Å; S616-E654 WeakPolarHBondContact CB-OE2 3.44Å; S616-E654 PolarHBondContact OG-OE2 2.82Å |
| 617 | D | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -93.4 | 7.2 | 171.7 | 59 | 13.7 | 0 | 0 | 0 | 112.9 | F461 T580 A619 V620 P626 S629 E654 S655 G656 Y678 | F461-D617 HydrophobicContact CE1-CB 4.43Å; F461-D617 WeakPolarHBondContact CE1-OD2 3.35Å; F461-D617 HydrophobicContact CZ-CB 4.13Å; T580-D617 PolarHBondContact OG1-N 3.21Å; D617-A619 PolarHBondContact O-N 3.07Å; D617-A619 VanDerWaalsContact O-N 3.15Å; D617-V620 VanDerWaalsContact O-CB 3.32Å; D617-V620 WeakPolarHBondContact O-CB 3Å; D617-V620 WeakPolarHBondContact O-CG1 3.44Å; D617-V620 PolarHBondContact O-N 3.34Å; D617-P626 HydrophobicContact CB-CB 4.35Å; D617-S629 PolarHBondContact OD2-OG 2.73Å; D617-E654 PolarHBondContact N-O 3.15Å; D617-S655 WeakPolarHBondContact OD1-CA 3.22Å; D617-S655 WeakPolarHBondContact OD2-CA 3.32Å; D617-G656 VanDerWaalsContact CG-N 3.32Å; D617-G656 PolarHBondContact OD1-N 3.1Å; D617-G656 PolarHBondContact OD2-N 3.01Å; D617-Y678 VanDerWaalsContact OD1-CE1 3.3Å; D617-Y678 WeakPolarHBondContact OD1-CE1 3.46Å | ||
| 618 | R | 94.1 | Very high | 96.3 | Very high | 52 Ų | 52 | 32.8 Ų | 32.8 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.6 | -176.8 | -172.1 | 177.3 | -85.2 | -82 | -9.6 | 113.9 | E441 S616 V620 E654 Y678 E682 | E441-R618 IonicContact OE2-CZ 3Å; E441-R618 IonicContact OE2-NH1 2.74Å; E441-R618 PolarHBondContact OE2-NH1 3.38Å; S616-R618 WeakPolarHBondContact OG-CB 3.48Å; S616-R618 PolarHBondContact OG-N 3.43Å; R618-V620 PolarHBondContact O-N 2.75Å; R618-V620 VanDerWaalsContact O-N 3.12Å; R618-E654 IonicContact CZ-OE1 2.77Å; R618-E654 IonicContact NE-OE1 2.79Å; R618-E654 PolarHBondContact NE-OE1 3.01Å; R618-E654 IonicContact NE-OE2 3.84Å; R618-E654 IonicContact NH2-OE1 3.85Å; R618-Y678 HydrophobicContact CB-CE1 4.38Å; R618-E682 IonicContact CZ-OE1 3.61Å; R618-E682 IonicContact NH1-OE1 3.67Å; R618-E682 PolarHBondContact NH1-OE1 3.47Å; R618-E682 IonicContact NH2-OE1 2.67Å; R618-E682 PolarHBondContact NH2-OE1 3Å |
| 619 | A | 94.2 | Very high | 96.4 | Very high | 43 Ų | 43 | 27.5 Ų | 27.5 | 36% | 0.355 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 9.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D579 V581 D617 | D579-A619 HydrophobicContact CB-CB 4.32Å; V581-A619 HydrophobicContact CG1-CB 4.29Å; V581-A619 HydrophobicContact CG2-CB 4.05Å; D617-A619 PolarHBondContact O-N 3.07Å; D617-A619 VanDerWaalsContact O-N 3.15Å |
| 620 | V | 94.4 | Very high | 96.6 | Very high | 18 Ų | 18 | 25.6 Ų | 25.6 | 11% | 0.109 | 14% | 0.138 | C | C | . | . | trans | -67.5 | 144.7 | -179.8 | 71.2 | 0 | 0 | 0 | 0 | 112.5 | L460 F461 V581 D617 R618 Y624 P626 | L460-V620 HydrophobicContact CD2-CB 4.41Å; L460-V620 HydrophobicContact CD2-CG1 4.43Å; L460-V620 HydrophobicContact CD2-CG2 3.18Å; F461-V620 HydrophobicContact CE2-CG1 4Å; F461-V620 HydrophobicContact CZ-CG1 4.2Å; V581-V620 HydrophobicContact CG1-CB 4.47Å; D617-V620 VanDerWaalsContact O-CB 3.32Å; D617-V620 WeakPolarHBondContact O-CB 3Å; D617-V620 WeakPolarHBondContact O-CG1 3.44Å; D617-V620 PolarHBondContact O-N 3.34Å; R618-V620 PolarHBondContact O-N 2.75Å; R618-V620 VanDerWaalsContact O-N 3.12Å; V620-Y624 WeakPolarHBondContact CG2-O 3.42Å; V620-P626 HydrophobicContact CG2-CB 4.04Å; V620-P626 HydrophobicContact CG2-CG 3.87Å | ||
| 621 | G | 92.1 | Very high | 96.6 | Very high | 18 Ų | 18 | 23.1 Ų | 23.1 | 19% | 0.186 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -170.6 | -169.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D623 Y624 H772 Y776 | G621-D623 PolarHBondContact O-N 3.41Å; G621-Y624 PolarHBondContact N-O 3.04Å; G621-Y624 PolarHBondContact O-N 3.24Å; G621-H772 PolarHBondContact O-NE2 2.95Å; G621-Y776 VanDerWaalsContact CA-OH 3.29Å; G621-Y776 WeakPolarHBondContact CA-OH 3Å; G621-Y776 WeakPolarHBondContact O-CE2 3.19Å |
| 622 | S | 92.3 | Very high | 96.7 | Very high | 59 Ų | 59 | 21.3 Ų | 21.3 | 41% | 0.413 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -60.3 | -30.8 | 176.5 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | H772 | S622-H772 PolarHBondContact O-CE1 3.38Š|
| 623 | D | 95.1 | Very high | 96.7 | Very high | 109 Ų | 109 | 21.3 Ų | 21.3 | 58% | 0.583 | 12% | 0.12 | S | C | * | . | S | Bend | trans | -99.7 | -11.3 | -177.1 | -62.7 | -45.9 | 0 | 0 | 0 | 113.8 | P583 R584 G621 | P583-D623 WeakPolarHBondContact CA-O 3.48Å; R584-D623 PolarHBondContact N-O 2.79Å; G621-D623 PolarHBondContact O-N 3.41Å |
| 624 | Y | 97 | Very high | 96.7 | Very high | 111 Ų | 111 | 21.3 Ų | 21.3 | 44% | 0.435 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.2 | -173.1 | -72.3 | -84.3 | 0 | 0 | 0 | 111.4 | V581 Y582 P583 V620 G621 | V581-Y624 HydrophobicContact CB-CD1 4.36Å; V581-Y624 HydrophobicContact CG2-CD1 3.7Å; V581-Y624 HydrophobicContact CG2-CE1 4.46Å; V581-Y624 HydrophobicContact CG2-CG 4.2Å; Y582-Y624 WeakPolarHBondContact O-CA 2.89Å; P583-Y624 HydrophobicContact CG-CE1 4.1Å; V620-Y624 WeakPolarHBondContact CG2-O 3.42Å; G621-Y624 PolarHBondContact N-O 3.04Å; G621-Y624 PolarHBondContact O-N 3.24Å |
| 625 | V | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 132 | 179.7 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | V581 Y582 R584 V768 L769 | V581-V625 CarbonylContact C-O 3.33Å; V581-V625 VanDerWaalsContact CA-O 3.26Å; V581-V625 WeakPolarHBondContact CA-O 3.26Å; V581-V625 WeakPolarHBondContact CB-O 3.1Å; Y582-V625 HydrophobicContact CD1-CB 4.24Å; Y582-V625 HydrophobicContact CD2-CB 4.49Å; Y582-V625 HydrophobicContact CE1-CB 3.81Å; Y582-V625 HydrophobicContact CE1-CG1 3.78Å; Y582-V625 HydrophobicContact CE2-CB 4.07Å; Y582-V625 HydrophobicContact CE2-CG1 4.47Å; Y582-V625 HydrophobicContact CE2-CG2 4.36Å; Y582-V625 PolarHBondContact N-O 2.74Å; Y582-V625 PolarHBondContact O-N 2.77Å; R584-V625 HydrophobicContact CB-CG2 3.85Å; R584-V625 HydrophobicContact CG-CG2 4.11Å; V625-V768 HydrophobicContact CG1-CB 4.44Å; V625-V768 HydrophobicContact CG1-CG1 3.42Å; V625-V768 VanDerWaalsContact CG1-CG1 3.42Å; V625-L769 HydrophobicContact CG1-CD2 4.3Å; V625-L769 HydrophobicContact CG2-CD2 3.81Å |
| 626 | P | 97.2 | Very high | 96.6 | Very high | 8 Ų | 8 | 21.2 Ų | 21.2 | 5% | 0.052 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 141.7 | 179 | 31.9 | -31.7 | 0 | 0 | 0 | 110.4 | L460 F461 D617 V620 V768 | L460-P626 HydrophobicContact CD1-CG 4.13Å; L460-P626 HydrophobicContact CD2-CG 4.04Å; L460-P626 HydrophobicContact CG-CG 4.12Å; F461-P626 HydrophobicContact CE1-CB 3.97Å; F461-P626 HydrophobicContact CE1-CG 4.07Å; F461-P626 HydrophobicContact CZ-CB 4.13Å; F461-P626 HydrophobicContact CZ-CG 4.33Å; D617-P626 HydrophobicContact CB-CB 4.35Å; V620-P626 HydrophobicContact CG2-CB 4.04Å; V620-P626 HydrophobicContact CG2-CG 3.87Å; P626-V768 HydrophobicContact CG-CG1 4.35Å; P626-V768 WeakPolarHBondContact O-CG1 3.32Å |
| 627 | I | 97.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | P | Polyproline II helix | trans | -86.3 | 136.8 | 164 | -58.5 | -179.9 | 0 | 0 | 0 | 106.9 | T580 Y582 L591 A594 L595 I598 S629 L631 A632 | T580-I627 WeakPolarHBondContact O-CB 3.46Å; T580-I627 PolarHBondContact O-N 3.46Å; Y582-I627 HydrophobicContact CD1-CD1 4.27Å; Y582-I627 HydrophobicContact CD1-CG1 3.71Å; Y582-I627 HydrophobicContact CE1-CG1 4.18Å; L591-I627 HydrophobicContact CD1-CB 4.47Å; L591-I627 HydrophobicContact CD1-CD1 4.35Å; L591-I627 HydrophobicContact CD1-CG1 4.05Å; L591-I627 HydrophobicContact CD1-CG2 3.9Å; A594-I627 HydrophobicContact CB-CD1 3.56Å; L595-I627 HydrophobicContact CD2-CG2 3.85Å; L595-I627 HydrophobicContact CG-CG2 4.47Å; I598-I627 HydrophobicContact CD1-CD1 3.48Å; I598-I627 VanDerWaalsContact CD1-CD1 3.48Å; I627-S629 PolarHBondContact O-N 2.84Å; I627-L631 HydrophobicContact CG2-CB 4.09Å; I627-A632 HydrophobicContact CG2-CB 4.41Å |
| 628 | S | 97.5 | Very high | 96.5 | Very high | 13 Ų | 13 | 21.6 Ų | 21.6 | 9% | 0.091 | 12% | 0.121 | C | C | . | . | P | Polyproline II helix | trans | -50.5 | 129.3 | 175.1 | 174.2 | 0 | 0 | 0 | 0 | 109.9 | L630 L631 A632 E657 | S628-L630 PolarHBondContact O-N 3.41Å; S628-L630 VanDerWaalsContact O-N 3.08Å; S628-L630 PolarHBondContact OG-N 3.48Å; S628-L631 PolarHBondContact O-N 2.98Å; S628-A632 PolarHBondContact O-N 3.28Å; S628-E657 WeakPolarHBondContact CA-OE2 3.48Å; S628-E657 PolarHBondContact OG-OE1 2.8Å; S628-E657 PolarHBondContact OG-OE2 3.36Å |
| 629 | S | 98 | Very high | 96.6 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.9 | -29 | -177.3 | -47.5 | 0 | 0 | 0 | 0 | 110.9 | D617 I627 V633 S655 E657 | D617-S629 PolarHBondContact OD2-OG 2.73Å; I627-S629 PolarHBondContact O-N 2.84Å; S629-V633 WeakPolarHBondContact O-CB 3.28Å; S629-V633 WeakPolarHBondContact O-CG1 3.39Å; S629-V633 PolarHBondContact O-N 2.82Å; S629-S655 VanDerWaalsContact OG-CB 3.31Å; S629-S655 WeakPolarHBondContact OG-CB 3.42Å; S629-S655 PolarHBondContact OG-OG 2.8Å; S629-E657 PolarHBondContact N-OE2 3.15Å |
| 630 | L | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.6 | -44 | 175 | -179.8 | 54.2 | 0 | 0 | 0 | 113.3 | L502 Y503 F506 S628 A632 V633 G634 V666 L667 F670 F749 | L502-L630 HydrophobicContact CB-CD2 4.47Å; L502-L630 HydrophobicContact CD2-CB 4.27Å; L502-L630 HydrophobicContact CD2-CD2 4.08Å; L502-L630 HydrophobicContact CD2-CG 4.16Å; L502-L630 HydrophobicContact CG-CD2 4.01Å; Y503-L630 HydrophobicContact CD1-CD2 3.82Å; Y503-L630 HydrophobicContact CE1-CB 3.87Å; Y503-L630 HydrophobicContact CE1-CD2 3.99Å; Y503-L630 HydrophobicContact CE1-CG 4.43Å; F506-L630 HydrophobicContact CD2-CD2 3.83Å; F506-L630 HydrophobicContact CE2-CD2 3.58Å; F506-L630 HydrophobicContact CZ-CD2 4.44Å; S628-L630 PolarHBondContact O-N 3.41Å; S628-L630 VanDerWaalsContact O-N 3.08Å; S628-L630 PolarHBondContact OG-N 3.48Å; L630-A632 VanDerWaalsContact C-N 3.34Å; L630-V633 HydrophobicContact CD1-CG1 4.46Å; L630-G634 PolarHBondContact O-N 2.76Å; L630-V666 HydrophobicContact CD1-CG1 3.61Å; L630-V666 HydrophobicContact CD2-CG1 3.38Å; L630-V666 HydrophobicContact CG-CG1 4.14Å; L630-L667 HydrophobicContact CB-CD2 4.21Å; L630-L667 HydrophobicContact CD1-CD2 4.39Å; L630-F670 HydrophobicContact CD1-CB 4.07Å; L630-F670 HydrophobicContact CD1-CD2 3.71Å; L630-F670 HydrophobicContact CD1-CG 4.17Å; L630-F749 HydrophobicContact CD1-CE1 3.79Å; L630-F749 HydrophobicContact CD1-CZ 4.32Å; L630-F749 HydrophobicContact CD2-CZ 4.47Å; L630-F749 HydrophobicContact CG-CE1 3.84Å; L630-F749 HydrophobicContact CG-CZ 3.85Å |
| 631 | L | 98.2 | Very high | 96.5 | Very high | 6 Ų | 6 | 20.7 Ų | 20.7 | 3% | 0.031 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.6 | -44.6 | 174.5 | -73.9 | 174.7 | 0 | 0 | 0 | 111.1 | L502 L591 L595 I627 S628 A635 V744 C748 F749 F761 L764 | L502-L631 HydrophobicContact CD2-CD1 4.23Å; L502-L631 HydrophobicContact CD2-CD2 3.59Å; L502-L631 HydrophobicContact CD2-CG 3.44Å; L502-L631 VanDerWaalsContact CD2-CG 3.44Å; L591-L631 HydrophobicContact CD1-CD1 4.41Å; L591-L631 HydrophobicContact CD2-CD1 4.31Å; L595-L631 HydrophobicContact CD2-CB 4.15Å; I627-L631 HydrophobicContact CG2-CB 4.09Å; S628-L631 PolarHBondContact O-N 2.98Å; L631-A635 WeakPolarHBondContact O-CB 3.45Å; L631-A635 PolarHBondContact O-N 2.65Å; L631-V744 HydrophobicContact CD2-CG1 3.98Å; L631-C748 HydrophobicContact CD2-CB 4.32Å; L631-F749 HydrophobicContact CD2-CE2 3.88Å; L631-F749 HydrophobicContact CD2-CZ 3.92Å; L631-F761 HydrophobicContact CD2-CE1 4.37Å; L631-L764 HydrophobicContact CD1-CD1 4.45Å |
| 632 | A | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.5 | -51.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | T580 L615 I627 S628 L630 V636 | T580-A632 HydrophobicContact CG2-CB 3.68Å; L615-A632 HydrophobicContact CD1-CB 4.43Å; I627-A632 HydrophobicContact CG2-CB 4.41Å; S628-A632 PolarHBondContact O-N 3.28Å; L630-A632 VanDerWaalsContact C-N 3.34Å; A632-V636 WeakPolarHBondContact O-CB 3.39Å; A632-V636 VanDerWaalsContact O-CG2 3.27Å; A632-V636 WeakPolarHBondContact O-CG2 3.21Å; A632-V636 PolarHBondContact O-N 2.8Å |
| 633 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.9 | -40.4 | -179.2 | 77.7 | 0 | 0 | 0 | 0 | 112 | L615 S629 L630 H637 L651 V653 L667 A672 | L615-V633 HydrophobicContact CD1-CB 4.07Å; L615-V633 HydrophobicContact CD1-CG2 4.26Å; S629-V633 WeakPolarHBondContact O-CB 3.28Å; S629-V633 WeakPolarHBondContact O-CG1 3.39Å; S629-V633 PolarHBondContact O-N 2.82Å; L630-V633 HydrophobicContact CD1-CG1 4.46Å; V633-H637 WeakPolarHBondContact O-CB 3.38Å; V633-H637 PolarHBondContact O-N 3.41Å; V633-L651 HydrophobicContact CG2-CD1 4.36Å; V633-V653 HydrophobicContact CB-CG2 4.08Å; V633-V653 HydrophobicContact CG2-CG2 3.92Å; V633-L667 HydrophobicContact CG1-CD2 3.78Å; V633-A672 HydrophobicContact CG2-CB 4.06Å |
| 634 | G | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.5 | -48.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L630 H637 Q638 C748 | L630-G634 PolarHBondContact O-N 2.76Å; G634-H637 PolarHBondContact O-N 3.21Å; G634-Q638 WeakPolarHBondContact O-CG 3.34Å; G634-Q638 PolarHBondContact O-N 3.03Å; G634-C748 CarbonylContact C-O 3.49Å; G634-C748 WeakPolarHBondContact CA-O 3.41Å; G634-C748 VanDerWaalsContact O-O 3.07Å |
| 635 | A | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.8 | -50.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L595 L631 H637 Q638 Y639 | L595-A635 HydrophobicContact CD2-CB 4.14Å; L631-A635 WeakPolarHBondContact O-CB 3.45Å; L631-A635 PolarHBondContact O-N 2.65Å; A635-H637 PolarHBondContact O-N 3.22Å; A635-Q638 PolarHBondContact O-N 2.85Å; A635-Y639 WeakPolarHBondContact O-CB 3.48Å; A635-Y639 PolarHBondContact O-N 3.39Å |
| 636 | V | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 179 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | I598 A602 L615 A632 Q638 Y639 L640 L651 | I598-V636 HydrophobicContact CG2-CG2 3.57Å; A602-V636 HydrophobicContact CB-CG1 3.65Å; A602-V636 HydrophobicContact CB-CG2 4.18Å; L615-V636 HydrophobicContact CD1-CB 4.44Å; L615-V636 HydrophobicContact CD1-CG2 4.28Å; L615-V636 HydrophobicContact CD2-CG2 4.34Å; A632-V636 WeakPolarHBondContact O-CB 3.39Å; A632-V636 VanDerWaalsContact O-CG2 3.27Å; A632-V636 WeakPolarHBondContact O-CG2 3.21Å; A632-V636 PolarHBondContact O-N 2.8Å; V636-Q638 PolarHBondContact O-N 3.27Å; V636-Y639 PolarHBondContact O-N 2.96Å; V636-L640 HydrophobicContact CG1-CD1 3.67Å; V636-L640 HydrophobicContact CG1-CG 4.18Å; V636-L640 WeakPolarHBondContact O-CB 3.29Å; V636-L640 VanDerWaalsContact O-CG 3.26Å; V636-L640 WeakPolarHBondContact O-CG 3.45Å; V636-L640 PolarHBondContact O-N 3.16Å; V636-L651 HydrophobicContact CG1-CD1 4.1Å; V636-L651 HydrophobicContact CG1-CD2 3.91Å |
| 637 | H | 97 | Very high | 95.8 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 2% | 0.019 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.5 | -49.6 | 179.7 | 178 | 51.9 | 0 | 0 | 0 | 111.8 | V633 G634 A635 I641 R646 L651 F670 | V633-H637 WeakPolarHBondContact O-CB 3.38Å; V633-H637 PolarHBondContact O-N 3.41Å; G634-H637 PolarHBondContact O-N 3.21Å; A635-H637 PolarHBondContact O-N 3.22Å; H637-I641 WeakPolarHBondContact CE1-CD1 3.37Å; H637-I641 WeakPolarHBondContact NE2-CD1 3.39Å; H637-I641 WeakPolarHBondContact O-CG1 3.36Å; H637-I641 PolarHBondContact O-N 3.02Å; H637-R646 WeakPolarHBondContact ND1-CD 3.41Å; H637-R646 PolarHBondContact ND1-NE 2.89Å; H637-L651 HydrophobicContact CB-CD1 4.13Å; H637-F670 WeakPolarHBondContact CB-O 3.28Å; H637-F670 PolarHBondContact CD2-O 3.16Å |
| 638 | Q | 95.2 | Very high | 95.6 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 3% | 0.033 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.2 | -40.1 | 179.2 | -65.8 | -54.5 | -36 | 0 | 0 | 112.2 | G634 A635 V636 I641 R642 Q733 | G634-Q638 WeakPolarHBondContact O-CG 3.34Å; G634-Q638 PolarHBondContact O-N 3.03Å; A635-Q638 PolarHBondContact O-N 2.85Å; V636-Q638 PolarHBondContact O-N 3.27Å; Q638-I641 PolarHBondContact O-N 3.32Å; Q638-R642 WeakPolarHBondContact O-CG 3.36Å; Q638-R642 PolarHBondContact O-N 2.7Å; Q638-Q733 VanDerWaalsContact NE2-NE2 3.13Å |
| 639 | Y | 96 | Very high | 95.5 | Very high | 74 Ų | 74 | 25.1 Ų | 25.1 | 29% | 0.29 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -61.1 | -48.4 | 177.2 | -168 | -91.8 | 0 | 0 | 0 | 111.3 | C599 C603 A635 V636 I641 R642 E643 | C599-Y639 HydrophobicContact CB-CD1 4.03Å; C599-Y639 HydrophobicContact CB-CD2 4.03Å; C599-Y639 HydrophobicContact CB-CE1 4.5Å; C599-Y639 HydrophobicContact CB-CE2 4.49Å; C599-Y639 HydrophobicContact CB-CG 3.78Å; C603-Y639 HydrophobicContact CB-CD1 4.35Å; C603-Y639 HydrophobicContact CB-CE1 3.81Å; A635-Y639 WeakPolarHBondContact O-CB 3.48Å; A635-Y639 PolarHBondContact O-N 3.39Å; V636-Y639 PolarHBondContact O-N 2.96Å; Y639-I641 VanDerWaalsContact C-N 3.31Å; Y639-I641 PolarHBondContact O-N 3.49Å; Y639-R642 PolarHBondContact O-N 3.3Å; Y639-E643 HydrophobicContact CD1-CG 4.19Å; Y639-E643 HydrophobicContact CE1-CG 3.84Å; Y639-E643 WeakPolarHBondContact O-CG 3.35Å; Y639-E643 PolarHBondContact O-N 3.34Å |
| 640 | L | 95.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.9 | -28.9 | 177.8 | -67.7 | 176.1 | 0 | 0 | 0 | 113.3 | A606 I613 V636 K644 L645 R646 V649 L651 | A606-L640 HydrophobicContact CB-CD2 4.26Å; I613-L640 HydrophobicContact CD1-CD1 4.35Å; V636-L640 HydrophobicContact CG1-CD1 3.67Å; V636-L640 HydrophobicContact CG1-CG 4.18Å; V636-L640 WeakPolarHBondContact O-CB 3.29Å; V636-L640 VanDerWaalsContact O-CG 3.26Å; V636-L640 WeakPolarHBondContact O-CG 3.45Å; V636-L640 PolarHBondContact O-N 3.16Å; L640-K644 PolarHBondContact O-N 3.07Å; L640-L645 HydrophobicContact CD2-CB 3.95Å; L640-L645 PolarHBondContact O-N 2.8Å; L640-R646 HydrophobicContact CB-CB 3.82Å; L640-R646 PolarHBondContact O-N 3.23Å; L640-V649 HydrophobicContact CD1-CG2 3.77Å; L640-L651 HydrophobicContact CD1-CD2 4.13Å |
| 641 | I | 93 | Very high | 95.5 | Very high | 19 Ų | 19 | 25 Ų | 25 | 10% | 0.097 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.3 | -47.2 | 172 | -73.7 | 167.8 | 0 | 0 | 0 | 110 | N246 A250 H637 Q638 Y639 E643 K644 R646 | N246-I641 HydrophobicContact CB-CD1 4.37Å; A250-I641 HydrophobicContact CB-CG1 4.44Å; H637-I641 WeakPolarHBondContact CE1-CD1 3.37Å; H637-I641 WeakPolarHBondContact NE2-CD1 3.39Å; H637-I641 WeakPolarHBondContact O-CG1 3.36Å; H637-I641 PolarHBondContact O-N 3.02Å; Q638-I641 PolarHBondContact O-N 3.32Å; Y639-I641 VanDerWaalsContact C-N 3.31Å; Y639-I641 PolarHBondContact O-N 3.49Å; I641-E643 VanDerWaalsContact C-N 3.3Å; I641-E643 PolarHBondContact O-N 2.99Å; I641-K644 PolarHBondContact O-N 2.84Å; I641-R646 HydrophobicContact CG1-CB 3.83Å; I641-R646 HydrophobicContact CG1-CG 3.99Å |
| 642 | R | 91.5 | Very high | 95.5 | Very high | 121 Ų | 121 | 24.7 Ų | 24.7 | 46% | 0.457 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -59.5 | -41.9 | 179.4 | -73.3 | -175.6 | -71.2 | -113.5 | -1.4 | 111.9 | Q638 Y639 K644 | Q638-R642 WeakPolarHBondContact O-CG 3.36Å; Q638-R642 PolarHBondContact O-N 2.7Å; Y639-R642 PolarHBondContact O-N 3.3Å; R642-K644 PolarHBondContact O-N 2.71Å |
| 643 | E | 91.5 | Very high | 95.5 | Very high | 94 Ų | 94 | 24.8 Ų | 24.8 | 44% | 0.439 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 1.5 | 176.5 | -61.2 | -53.9 | 122.6 | 0 | 0 | 113.6 | Y639 I641 L645 | Y639-E643 HydrophobicContact CD1-CG 4.19Å; Y639-E643 HydrophobicContact CE1-CG 3.84Å; Y639-E643 WeakPolarHBondContact O-CG 3.35Å; Y639-E643 PolarHBondContact O-N 3.34Å; I641-E643 VanDerWaalsContact C-N 3.3Å; I641-E643 PolarHBondContact O-N 2.99Å; E643-L645 HydrophobicContact CB-CD1 4.05Å; E643-L645 HydrophobicContact CB-CG 4.17Å; E643-L645 PolarHBondContact O-N 3.14Å |
| 644 | K | 90.6 | Very high | 95.5 | Very high | 81 Ų | 81 | 25 Ų | 25 | 35% | 0.352 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 31.6 | -175.7 | -52 | -174.9 | 177.6 | -166.7 | 0 | 114 | E252 L640 I641 R642 | E252-K644 IonicContact OE2-NZ 3.4Å; L640-K644 PolarHBondContact O-N 3.07Å; I641-K644 PolarHBondContact O-N 2.84Å; R642-K644 PolarHBondContact O-N 2.71Å |
| 645 | L | 93.2 | Very high | 95.5 | Very high | 13 Ų | 13 | 25 Ų | 25 | 7% | 0.068 | 11% | 0.107 | C | C | . | . | trans | -107.1 | -11.8 | 179.3 | -66.1 | 174.2 | 0 | 0 | 0 | 113.4 | C603 A606 M607 L640 E643 M647 K648 | C603-L645 VanDerWaalsContact SG-CD1 3.57Å; A606-L645 HydrophobicContact CB-CB 4.14Å; A606-L645 HydrophobicContact CB-CD1 4.3Å; M607-L645 HydrophobicContact CE-CD1 3.87Å; M607-L645 HydrophobicContact CG-CD1 4Å; L640-L645 HydrophobicContact CD2-CB 3.95Å; L640-L645 PolarHBondContact O-N 2.8Å; E643-L645 HydrophobicContact CB-CD1 4.05Å; E643-L645 HydrophobicContact CB-CG 4.17Å; E643-L645 PolarHBondContact O-N 3.14Å; L645-M647 PolarHBondContact O-N 2.93Å; L645-M647 VanDerWaalsContact O-N 3.11Å; L645-K648 HydrophobicContact CD2-CD 3.79Å; L645-K648 WeakPolarHBondContact O-CB 3.34Å; L645-K648 PolarHBondContact O-N 3.39Å | ||
| 646 | R | 95 | Very high | 95.5 | Very high | 13 Ų | 13 | 25 Ų | 25 | 5% | 0.049 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -57.5 | -32.6 | -174.5 | -178.7 | 59.2 | -171.9 | 86.5 | -5.6 | 113.4 | A250 H637 L640 I641 K648 V649 G671 D673 | A250-R646 HydrophobicContact CB-CB 4.45Å; H637-R646 WeakPolarHBondContact ND1-CD 3.41Å; H637-R646 PolarHBondContact ND1-NE 2.89Å; L640-R646 HydrophobicContact CB-CB 3.82Å; L640-R646 PolarHBondContact O-N 3.23Å; I641-R646 HydrophobicContact CG1-CB 3.83Å; I641-R646 HydrophobicContact CG1-CG 3.99Å; R646-K648 VanDerWaalsContact C-N 3.26Å; R646-K648 PolarHBondContact O-N 3.07Å; R646-V649 PolarHBondContact NH1-O 3.21Å; R646-G671 PolarHBondContact NH2-O 2.86Å; R646-D673 IonicContact CZ-OD2 2.86Å; R646-D673 IonicContact NH1-OD2 3.15Å; R646-D673 IonicContact NH2-OD1 3.12Å; R646-D673 IonicContact NH2-OD2 3.57Å; R646-D673 PolarHBondContact NH2-OD2 2.93Å |
| 647 | M | 93.7 | Very high | 95.4 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.039 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -76.8 | -7.6 | 179 | -64 | -62.2 | 92.6 | 0 | 0 | 113.6 | L247 A250 R251 L254 P535 E536 L645 | L247-M647 HydrophobicContact CD2-CE 3.41Å; L247-M647 VanDerWaalsContact CD2-CE 3.41Å; L247-M647 HydrophobicContact CD2-SD 4.19Å; A250-M647 HydrophobicContact CB-CE 4.21Å; A250-M647 HydrophobicContact CB-CG 3.73Å; A250-M647 HydrophobicContact CB-SD 4.44Å; R251-M647 HydrophobicContact CG-CG 3.86Å; R251-M647 HydrophobicContact CG-SD 4.05Å; L254-M647 HydrophobicContact CD1-CB 3.37Å; L254-M647 HydrophobicContact CD1-CG 4.38Å; L254-M647 HydrophobicContact CG-CB 4.43Å; P535-M647 CarbonylContact C-O 3.51Å; P535-M647 VanDerWaalsContact CA-O 3.29Å; P535-M647 WeakPolarHBondContact CA-O 3.27Å; E536-M647 HydrophobicContact CB-CB 4.34Å; E536-M647 HydrophobicContact CG-SD 4.25Å; E536-M647 PolarHBondContact N-O 3.2Å; L645-M647 PolarHBondContact O-N 2.93Å; L645-M647 VanDerWaalsContact O-N 3.11Å |
| 648 | K | 93.5 | Very high | 95.3 | Very high | 81 Ų | 81 | 25.2 Ų | 25.2 | 35% | 0.352 | 11% | 0.108 | S | C | . | . | G | 310 helix | trans | -87.5 | -12.3 | 177.6 | -63.7 | -172.8 | -178.7 | 179.2 | 0 | 113.7 | L254 P535 L645 R646 | L254-K648 HydrophobicContact CD2-CD 4.49Å; L254-K648 HydrophobicContact CD2-CG 4Å; P535-K648 WeakPolarHBondContact CB-O 3.29Å; L645-K648 HydrophobicContact CD2-CD 3.79Å; L645-K648 WeakPolarHBondContact O-CB 3.34Å; L645-K648 PolarHBondContact O-N 3.39Å; R646-K648 VanDerWaalsContact C-N 3.26Å; R646-K648 PolarHBondContact O-N 3.07Å |
| 649 | V | 95.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | trans | -137.7 | 152.3 | -170.1 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | A606 Y610 Q611 I613 L640 R646 L651 | A606-V649 HydrophobicContact CB-CG1 3.63Å; Y610-V649 WeakPolarHBondContact O-CG1 3.25Å; Q611-V649 CarbonylContact O-C 3.58Å; Q611-V649 WeakPolarHBondContact O-CA 3.32Å; I613-V649 HydrophobicContact CD1-CB 4.15Å; I613-V649 HydrophobicContact CD1-CG1 4.12Å; I613-V649 HydrophobicContact CD1-CG2 3.92Å; I613-V649 HydrophobicContact CG1-CB 4.32Å; I613-V649 HydrophobicContact CG1-CG1 4.41Å; L640-V649 HydrophobicContact CD1-CG2 3.77Å; R646-V649 PolarHBondContact NH1-O 3.21Å; V649-L651 HydrophobicContact CG2-CD2 4.26Å | ||
| 650 | G | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 141 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q611 L612 I613 D673 | Q611-G650 PolarHBondContact O-N 3.28Å; L612-G650 WeakPolarHBondContact CA-O 3.38Å; I613-G650 PolarHBondContact N-O 3.47Å; G650-D673 VanDerWaalsContact CA-OD2 3.32Å; G650-D673 WeakPolarHBondContact CA-OD2 3.16Å |
| 651 | L | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 110.8 | 179 | -63 | -175.8 | 0 | 0 | 0 | 110.6 | I613 V633 V636 H637 L640 V649 D673 | I613-L651 HydrophobicContact CB-CD2 3.9Å; I613-L651 HydrophobicContact CD1-CD2 4.22Å; I613-L651 HydrophobicContact CG2-CD2 4.34Å; V633-L651 HydrophobicContact CG2-CD1 4.36Å; V636-L651 HydrophobicContact CG1-CD1 4.1Å; V636-L651 HydrophobicContact CG1-CD2 3.91Å; H637-L651 HydrophobicContact CB-CD1 4.13Å; L640-L651 HydrophobicContact CD1-CD2 4.13Å; V649-L651 HydrophobicContact CG2-CD2 4.26Å; L651-D673 PolarHBondContact N-OD2 3.25Å; L651-D673 WeakPolarHBondContact O-CA 3.44Å; L651-D673 WeakPolarHBondContact O-CB 3.21Å; L651-D673 PolarHBondContact O-N 3.09Å |
| 652 | V | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136 | 177.7 | -175 | 0 | 0 | 0 | 0 | 109 | I533 L557 M562 L612 I613 I614 L615 A674 | I533-V652 HydrophobicContact CD1-CG2 4.48Å; L557-V652 HydrophobicContact CD1-CG1 3.83Å; M562-V652 HydrophobicContact CE-CG1 3.42Å; M562-V652 VanDerWaalsContact CE-CG1 3.42Å; M562-V652 HydrophobicContact SD-CG1 4.33Å; L612-V652 HydrophobicContact CD2-CG2 4.31Å; I613-V652 PolarHBondContact O-N 3.03Å; I614-V652 CarbonylContact C-O 3.48Å; I614-V652 WeakPolarHBondContact CA-O 3.35Å; I614-V652 HydrophobicContact CG1-CB 4.23Å; L615-V652 PolarHBondContact N-O 3.08Å; V652-A674 WeakPolarHBondContact CA-O 3.33Å; V652-A674 HydrophobicContact CG1-CB 4.16Å; V652-A674 HydrophobicContact CG2-CB 4.31Å |
| 653 | V | 98.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.012 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 120.6 | -179.7 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | V633 A672 A674 I675 C676 | V633-V653 HydrophobicContact CB-CG2 4.08Å; V633-V653 HydrophobicContact CG2-CG2 3.92Å; V653-A672 HydrophobicContact CG2-CB 3.92Å; V653-A674 PolarHBondContact N-O 3.47Å; V653-I675 CarbonylContact O-C 3.48Å; V653-I675 VanDerWaalsContact O-CA 3.31Å; V653-I675 WeakPolarHBondContact O-CA 3.49Å; V653-C676 PolarHBondContact O-N 3.04Å |
| 654 | E | 98.3 | Very high | 96.2 | Very high | 5 Ų | 5 | 11.8 Ų | 11.8 | 2% | 0.023 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 112 | 165.1 | -177.6 | 179.8 | -142.3 | 0 | 0 | 107.6 | M562 K566 L615 S616 D617 R618 Y678 | M562-E654 HydrophobicContact CE-CB 3.8Å; M562-E654 HydrophobicContact CE-CG 4.47Å; M562-E654 HydrophobicContact SD-CB 4.43Å; K566-E654 WeakPolarHBondContact CE-OE2 3.49Å; K566-E654 IonicContact NZ-OE1 3.11Å; K566-E654 PolarHBondContact NZ-OE1 3.42Å; K566-E654 IonicContact NZ-OE2 2.75Å; K566-E654 PolarHBondContact NZ-OE2 3.35Å; L615-E654 PolarHBondContact O-N 3.45Å; S616-E654 WeakPolarHBondContact CA-O 3.5Å; S616-E654 WeakPolarHBondContact CB-OE2 3.44Å; S616-E654 PolarHBondContact OG-OE2 2.82Å; D617-E654 PolarHBondContact N-O 3.15Å; R618-E654 IonicContact CZ-OE1 2.77Å; R618-E654 IonicContact NE-OE1 2.79Å; R618-E654 PolarHBondContact NE-OE1 3.01Å; R618-E654 IonicContact NE-OE2 3.84Å; R618-E654 IonicContact NH2-OE1 3.85Å; E654-Y678 HydrophobicContact CG-CD1 3.7Å; E654-Y678 HydrophobicContact CG-CE1 4.42Å; E654-Y678 HydrophobicContact CG-CG 4.44Å |
| 655 | S | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.035 | C | C | . | . | trans | -129.1 | 134.9 | -169.1 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | D617 S629 E657 A658 C676 P677 Y678 | D617-S655 WeakPolarHBondContact OD1-CA 3.22Å; D617-S655 WeakPolarHBondContact OD2-CA 3.32Å; S629-S655 VanDerWaalsContact OG-CB 3.31Å; S629-S655 WeakPolarHBondContact OG-CB 3.42Å; S629-S655 PolarHBondContact OG-OG 2.8Å; S655-E657 WeakPolarHBondContact OG-CB 3.39Å; S655-E657 PolarHBondContact OG-N 3.02Å; S655-A658 PolarHBondContact OG-N 2.85Å; S655-A658 VanDerWaalsContact OG-N 3.13Å; S655-C676 PolarHBondContact N-O 3.3Å; S655-P677 CarbonylContact O-C 3.57Å; S655-P677 WeakPolarHBondContact O-CA 3.3Å; S655-Y678 WeakPolarHBondContact O-CD1 3.16Å; S655-Y678 PolarHBondContact O-N 3.35Å | ||
| 656 | G | 96.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 3% | 0.032 | C | C | . | . | S | Bend | trans | -80.5 | -25.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y463 D617 Y678 | Y463-G656 WeakPolarHBondContact CE2-O 3.37Å; Y463-G656 PolarHBondContact OH-O 3.38Å; D617-G656 VanDerWaalsContact CG-N 3.32Å; D617-G656 PolarHBondContact OD1-N 3.1Å; D617-G656 PolarHBondContact OD2-N 3.01Å; G656-Y678 VanDerWaalsContact N-CE1 3.27Å |
| 657 | E | 96 | Very high | 97 | Very high | 9 Ų | 9 | 6.7 Ų | 6.7 | 4% | 0.042 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -77.5 | -40.5 | -173.4 | -158 | -169.1 | 169.5 | 0 | 0 | 113.9 | F461 L501 Y503 S628 S629 S655 | F461-E657 HydrophobicContact CD1-CB 3.8Å; F461-E657 HydrophobicContact CD1-CG 4.24Å; F461-E657 HydrophobicContact CE1-CB 4.22Å; L501-E657 HydrophobicContact CD1-CG 3.99Å; L501-E657 HydrophobicContact CD2-CG 4.04Å; Y503-E657 HydrophobicContact CE2-CB 4.47Å; Y503-E657 VanDerWaalsContact CE2-CD 3.45Å; Y503-E657 HydrophobicContact CE2-CG 3.81Å; Y503-E657 WeakPolarHBondContact CE2-OE1 3.25Å; S628-E657 WeakPolarHBondContact CA-OE2 3.48Å; S628-E657 PolarHBondContact OG-OE1 2.8Å; S628-E657 PolarHBondContact OG-OE2 3.36Å; S629-E657 PolarHBondContact N-OE2 3.15Å; S655-E657 WeakPolarHBondContact OG-CB 3.39Å; S655-E657 PolarHBondContact OG-N 3.02Å |
| 658 | A | 96.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.028 | C | C | . | . | trans | -76.5 | 126.3 | -172 | 0 | 0 | 0 | 0 | 0 | 113 | S655 H663 F664 L667 P677 | S655-A658 PolarHBondContact OG-N 2.85Å; S655-A658 VanDerWaalsContact OG-N 3.13Å; A658-H663 HydrophobicContact CB-CB 4.19Å; A658-F664 HydrophobicContact CB-CD1 4.18Å; A658-F664 HydrophobicContact CB-CE1 3.79Å; A658-L667 HydrophobicContact CB-CD1 3.77Å; A658-P677 VanDerWaalsContact O-CB 3.25Å; A658-P677 WeakPolarHBondContact O-CB 3.37Å | ||
| 659 | R | 95.2 | Very high | 97.4 | Very high | 9 Ų | 9 | 2.4 Ų | 2.4 | 3% | 0.034 | 1% | 0.011 | C | C | . | . | trans | -150.3 | -21.5 | -176.1 | 70 | -142.7 | 172.2 | -156.3 | 5.3 | 116.4 | F461 H462 Y463 T467 I472 H663 V680 | F461-R659 PolarHBondContact O-NH1 3.35Å; H462-R659 PolarHBondContact O-NH1 3.39Å; H462-R659 PolarHBondContact O-NH2 3.39Å; Y463-R659 HydrophobicContact CE1-CB 3.9Å; Y463-R659 VanDerWaalsContact CE1-CD 3.41Å; Y463-R659 HydrophobicContact CE1-CG 4.22Å; T467-R659 HydrophobicContact CG2-CG 3.95Å; I472-R659 HydrophobicContact CD1-CB 4.2Å; R659-H663 PolarHBondContact N-ND1 3.11Å; R659-V680 HydrophobicContact CB-CG2 3.7Å | ||
| 660 | E | 94.8 | Very high | 97.5 | Very high | 15 Ų | 15 | 2.4 Ų | 2.4 | 7% | 0.07 | 1% | 0.011 | C | C | . | . | S | Bend | trans | -105.7 | 155.1 | -178.5 | -64.6 | 175.3 | -134.7 | 0 | 0 | 110.4 | L471 H662 H663 F664 Y792 H1054 | L471-E660 VanDerWaalsContact CD1-CD 3.43Å; L471-E660 HydrophobicContact CD1-CG 3.69Å; E660-H662 PolarHBondContact O-N 3.4Å; E660-H662 VanDerWaalsContact O-N 3.16Å; E660-H663 WeakPolarHBondContact O-CB 3.3Å; E660-H663 PolarHBondContact O-N 3.17Å; E660-H663 IonicContact OE1-CE1 3.73Å; E660-H663 IonicContact OE1-NE2 3.74Å; E660-F664 WeakPolarHBondContact O-CD2 3.48Å; E660-F664 PolarHBondContact O-N 3.3Å; E660-Y792 PolarHBondContact OE1-OH 2.7Å; E660-Y792 PolarHBondContact OE2-OH 3.11Å; E660-H1054 IonicContact OE2-NE2 2.9Å |
| 661 | I | 97.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 2.5 Ų | 2.5 | 2% | 0.015 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -51.4 | -41.9 | 176.5 | -58.3 | -54.9 | 0 | 0 | 0 | 111.2 | M475 E481 H663 F664 C665 C710 V717 T1050 | M475-I661 HydrophobicContact SD-CD1 4.01Å; M475-I661 HydrophobicContact SD-CG1 4.32Å; E481-I661 HydrophobicContact CB-CG1 4.45Å; I661-H663 PolarHBondContact O-N 2.84Å; I661-F664 PolarHBondContact O-N 3.12Å; I661-C665 PolarHBondContact O-N 3.2Å; I661-C665 PolarHBondContact O-SG 2.96Å; I661-C710 HydrophobicContact CD1-CB 4.37Å; I661-V717 HydrophobicContact CG2-CG2 4.04Å; I661-T1050 HydrophobicContact CB-CG2 4.42Å; I661-T1050 HydrophobicContact CG2-CG2 4.38Å |
| 662 | H | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -59 | -45.1 | 176.9 | -175.6 | 69.5 | 0 | 0 | 0 | 112.3 | Y503 F506 Q508 E660 F664 C665 V666 F735 T1050 H1054 | Y503-H662 PolarHBondContact O-NE2 3.16Å; Y503-H662 VanDerWaalsContact O-NE2 3.12Å; F506-H662 PolarHBondContact O-CE1 3.18Å; F506-H662 PolarHBondContact O-NE2 3.26Å; F506-H662 VanDerWaalsContact O-NE2 3.08Å; Q508-H662 PolarHBondContact NE2-ND1 3.24Å; E660-H662 PolarHBondContact O-N 3.4Å; E660-H662 VanDerWaalsContact O-N 3.16Å; H662-F664 VanDerWaalsContact C-N 3.31Å; H662-F664 PolarHBondContact O-N 3.29Å; H662-C665 PolarHBondContact O-N 3.15Å; H662-C665 VanDerWaalsContact O-N 3.16Å; H662-V666 VanDerWaalsContact CE1-CG2 3.46Å; H662-V666 WeakPolarHBondContact CE1-CG2 3.41Å; H662-V666 VanDerWaalsContact NE2-CG2 3.35Å; H662-V666 WeakPolarHBondContact NE2-CG2 3.15Å; H662-V666 VanDerWaalsContact O-CG2 3.27Å; H662-V666 WeakPolarHBondContact O-CG2 3.39Å; H662-V666 PolarHBondContact O-N 2.74Å; H662-F735 AromaticContact CE1-CE1 3.9Å; H662-T1050 HydrophobicContact CB-CG2 4.22Å; H662-H1054 HydrophobicContact CB-CB 4.33Å; H662-H1054 AromaticContact CD2-CE1 3.84Å; H662-H1054 AromaticContact CD2-CG 3.63Å; H662-H1054 AromaticContact CD2-ND1 3.43Å; H662-H1054 PolarHBondContact CD2-ND1 3.05Å; H662-H1054 AromaticContact CE1-CG 3.98Å; H662-H1054 AromaticContact CG-CD2 3.74Å; H662-H1054 AromaticContact CG-CG 3.44Å; H662-H1054 VanDerWaalsContact CG-CG 3.44Å; H662-H1054 AromaticContact CG-ND1 3.75Å; H662-H1054 VanDerWaalsContact ND1-CB 3.3Å; H662-H1054 WeakPolarHBondContact ND1-CB 3.2Å; H662-H1054 AromaticContact ND1-CG 3.66Å; H662-H1054 AromaticContact NE2-CG 3.98Å; H662-H1054 AromaticContact NE2-ND1 3.73Å |
| 663 | H | 98.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 2.9 Ų | 2.9 | 3% | 0.032 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -60.3 | -44.3 | -178.7 | -57.5 | -178.1 | 0 | 0 | 0 | 110.6 | Y503 A658 R659 E660 I661 V666 L667 | Y503-H663 VanDerWaalsContact CB-CD2 3.48Å; Y503-H663 WeakPolarHBondContact CB-CD2 3.39Å; Y503-H663 HydrophobicContact CD1-CB 3.95Å; Y503-H663 HydrophobicContact CD2-CB 4.16Å; Y503-H663 AromaticContact CD2-CD2 3.57Å; Y503-H663 AromaticContact CD2-CE1 3.86Å; Y503-H663 AromaticContact CD2-CG 3.58Å; Y503-H663 AromaticContact CD2-ND1 3.74Å; Y503-H663 AromaticContact CD2-NE2 3.77Å; Y503-H663 HydrophobicContact CE1-CB 3.94Å; Y503-H663 HydrophobicContact CE2-CB 4.16Å; Y503-H663 AromaticContact CE2-CG 3.91Å; Y503-H663 AromaticContact CE2-ND1 3.92Å; Y503-H663 HydrophobicContact CG-CB 4.07Å; Y503-H663 AromaticContact CG-CD2 3.44Å; Y503-H663 VanDerWaalsContact CG-CD2 3.44Å; Y503-H663 AromaticContact CG-CG 3.71Å; Y503-H663 AromaticContact CG-NE2 3.98Å; A658-H663 HydrophobicContact CB-CB 4.19Å; R659-H663 PolarHBondContact N-ND1 3.11Å; E660-H663 WeakPolarHBondContact O-CB 3.3Å; E660-H663 PolarHBondContact O-N 3.17Å; E660-H663 IonicContact OE1-CE1 3.73Å; E660-H663 IonicContact OE1-NE2 3.74Å; I661-H663 PolarHBondContact O-N 2.84Å; H663-V666 PolarHBondContact O-N 2.62Å; H663-L667 WeakPolarHBondContact O-CG 3.46Å; H663-L667 PolarHBondContact O-N 3.33Å |
| 664 | F | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -62.5 | -45.4 | 176.6 | -55.2 | -50.1 | 0 | 0 | 0 | 111.8 | I556 A658 E660 I661 H662 V666 L667 L668 I675 P677 F706 I714 | I556-F664 HydrophobicContact CD1-CB 4.23Å; I556-F664 HydrophobicContact CD1-CD1 3.82Å; I556-F664 HydrophobicContact CD1-CD2 4.28Å; I556-F664 HydrophobicContact CD1-CE1 4.27Å; I556-F664 HydrophobicContact CD1-CG 3.85Å; A658-F664 HydrophobicContact CB-CD1 4.18Å; A658-F664 HydrophobicContact CB-CE1 3.79Å; E660-F664 WeakPolarHBondContact O-CD2 3.48Å; E660-F664 PolarHBondContact O-N 3.3Å; I661-F664 PolarHBondContact O-N 3.12Å; H662-F664 VanDerWaalsContact C-N 3.31Å; H662-F664 PolarHBondContact O-N 3.29Å; F664-V666 VanDerWaalsContact C-N 3.33Å; F664-V666 PolarHBondContact O-N 2.92Å; F664-L667 PolarHBondContact O-N 3.05Å; F664-L668 WeakPolarHBondContact O-CB 3.46Å; F664-L668 WeakPolarHBondContact O-CD1 3.33Å; F664-L668 WeakPolarHBondContact O-CG 3.44Å; F664-L668 PolarHBondContact O-N 3.33Å; F664-I675 HydrophobicContact CB-CD1 4.22Å; F664-I675 HydrophobicContact CD1-CD1 4.09Å; F664-I675 HydrophobicContact CD1-CG2 4.02Å; F664-I675 HydrophobicContact CE1-CG2 4.17Å; F664-P677 HydrophobicContact CE1-CB 3.9Å; F664-P677 HydrophobicContact CE1-CG 4.01Å; F664-P677 HydrophobicContact CZ-CB 4.04Å; F664-P677 HydrophobicContact CZ-CG 4.02Å; F664-F706 HydrophobicContact CE2-CE1 4.25Å; F664-F706 AromaticContact CE2-CZ 3.87Å; F664-F706 HydrophobicContact CE2-CZ 3.87Å; F664-F706 HydrophobicContact CZ-CE1 4.08Å; F664-F706 AromaticContact CZ-CZ 3.81Å; F664-F706 HydrophobicContact CZ-CZ 3.81Å; F664-I714 HydrophobicContact CB-CD1 4.32Å |
| 665 | C | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 179.2 | -64 | 0 | 0 | 0 | 0 | 111.9 | I661 H662 L668 G669 V717 Y729 F735 | I661-C665 PolarHBondContact O-N 3.2Å; I661-C665 PolarHBondContact O-SG 2.96Å; H662-C665 PolarHBondContact O-N 3.15Å; H662-C665 VanDerWaalsContact O-N 3.16Å; C665-L668 PolarHBondContact O-N 3.25Å; C665-G669 PolarHBondContact O-N 2.83Å; C665-V717 HydrophobicContact CB-CG1 3.98Å; C665-Y729 HydrophobicContact CB-CE1 4.49Å; C665-F735 HydrophobicContact CB-CZ 4.04Å |
| 666 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -65.9 | -47.7 | 178.4 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | Y503 F506 L630 H662 H663 F664 L668 G669 F670 F735 | Y503-V666 HydrophobicContact CD1-CB 4.01Å; Y503-V666 HydrophobicContact CD1-CG1 4.06Å; F506-V666 HydrophobicContact CB-CG1 4.42Å; F506-V666 HydrophobicContact CB-CG2 4.18Å; F506-V666 HydrophobicContact CD2-CG1 4.19Å; F506-V666 HydrophobicContact CG-CG1 4.26Å; L630-V666 HydrophobicContact CD1-CG1 3.61Å; L630-V666 HydrophobicContact CD2-CG1 3.38Å; L630-V666 HydrophobicContact CG-CG1 4.14Å; H662-V666 VanDerWaalsContact CE1-CG2 3.46Å; H662-V666 WeakPolarHBondContact CE1-CG2 3.41Å; H662-V666 VanDerWaalsContact NE2-CG2 3.35Å; H662-V666 WeakPolarHBondContact NE2-CG2 3.15Å; H662-V666 VanDerWaalsContact O-CG2 3.27Å; H662-V666 WeakPolarHBondContact O-CG2 3.39Å; H662-V666 PolarHBondContact O-N 2.74Å; H663-V666 PolarHBondContact O-N 2.62Å; F664-V666 VanDerWaalsContact C-N 3.33Å; F664-V666 PolarHBondContact O-N 2.92Å; V666-L668 VanDerWaalsContact C-N 3.33Å; V666-L668 PolarHBondContact O-N 2.91Å; V666-G669 PolarHBondContact O-N 2.75Å; V666-F670 HydrophobicContact CG1-CD2 3.68Å; V666-F670 HydrophobicContact CG1-CE2 3.83Å; V666-F670 WeakPolarHBondContact O-CD2 3.39Å; V666-F670 PolarHBondContact O-N 3.48Å; V666-F735 HydrophobicContact CB-CE1 4.44Å; V666-F735 HydrophobicContact CB-CZ 4.19Å; V666-F735 HydrophobicContact CG2-CD1 3.96Å; V666-F735 HydrophobicContact CG2-CE1 3.43Å; V666-F735 VanDerWaalsContact CG2-CE1 3.43Å; V666-F735 HydrophobicContact CG2-CE2 4.29Å; V666-F735 HydrophobicContact CG2-CZ 3.63Å |
| 667 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -56.1 | -46.3 | 175.4 | -73.3 | 170.7 | 0 | 0 | 0 | 112.2 | Y503 L630 V633 A658 H663 F664 F670 G671 A672 I675 | Y503-L667 HydrophobicContact CE1-CD2 4.29Å; Y503-L667 HydrophobicContact CE1-CG 4Å; L630-L667 HydrophobicContact CB-CD2 4.21Å; L630-L667 HydrophobicContact CD1-CD2 4.39Å; V633-L667 HydrophobicContact CG1-CD2 3.78Å; A658-L667 HydrophobicContact CB-CD1 3.77Å; H663-L667 WeakPolarHBondContact O-CG 3.46Å; H663-L667 PolarHBondContact O-N 3.33Å; F664-L667 PolarHBondContact O-N 3.05Å; L667-F670 PolarHBondContact O-N 3.02Å; L667-G671 PolarHBondContact O-N 3.33Å; L667-A672 HydrophobicContact CB-CB 4.12Å; L667-A672 VanDerWaalsContact O-CB 3.23Å; L667-A672 WeakPolarHBondContact O-CB 3.42Å; L667-A672 PolarHBondContact O-N 3.5Å; L667-I675 HydrophobicContact CB-CD1 3.6Å; L667-I675 HydrophobicContact CB-CG1 4.36Å; L667-I675 HydrophobicContact CD1-CD1 3.85Å; L667-I675 HydrophobicContact CD1-CG1 4.26Å; L667-I675 HydrophobicContact CD1-CG2 4.11Å; L667-I675 HydrophobicContact CG-CD1 4.38Å |
| 668 | L | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 177.9 | -65.5 | 165.4 | 0 | 0 | 0 | 111.5 | P555 F664 C665 V666 F670 G671 A672 I675 I714 L726 Y729 K730 G731 | P555-L668 HydrophobicContact CB-CD1 4.17Å; P555-L668 HydrophobicContact CB-CD2 3.61Å; P555-L668 HydrophobicContact CG-CD1 3.76Å; P555-L668 HydrophobicContact CG-CD2 4.15Å; F664-L668 WeakPolarHBondContact O-CB 3.46Å; F664-L668 WeakPolarHBondContact O-CD1 3.33Å; F664-L668 WeakPolarHBondContact O-CG 3.44Å; F664-L668 PolarHBondContact O-N 3.33Å; C665-L668 PolarHBondContact O-N 3.25Å; V666-L668 VanDerWaalsContact C-N 3.33Å; V666-L668 PolarHBondContact O-N 2.91Å; L668-F670 PolarHBondContact O-N 2.84Å; L668-G671 PolarHBondContact O-N 3.39Å; L668-G671 VanDerWaalsContact O-N 3.09Å; L668-A672 WeakPolarHBondContact CD2-O 3.37Å; L668-I675 HydrophobicContact CD1-CD1 4.5Å; L668-I675 HydrophobicContact CD2-CD1 4.11Å; L668-I675 HydrophobicContact CG-CD1 3.91Å; L668-I714 HydrophobicContact CD1-CD1 4.12Å; L668-I714 HydrophobicContact CD1-CG2 4.39Å; L668-L726 HydrophobicContact CB-CD1 4.28Å; L668-L726 HydrophobicContact CD1-CD1 3.92Å; L668-L726 HydrophobicContact CD2-CD1 4.47Å; L668-L726 HydrophobicContact CG-CD1 4.43Å; L668-Y729 HydrophobicContact CB-CD1 4.48Å; L668-Y729 HydrophobicContact CB-CE1 4.45Å; L668-K730 WeakPolarHBondContact O-CA 3.31Å; L668-G731 PolarHBondContact O-N 2.98Å |
| 669 | G | 97.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -64.5 | -21.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | C665 V666 G731 A732 Q733 | C665-G669 PolarHBondContact O-N 2.83Å; V666-G669 PolarHBondContact O-N 2.75Å; G669-G731 CarbonylContact O-C 3.54Å; G669-G731 VanDerWaalsContact O-C 3.26Å; G669-G731 WeakPolarHBondContact O-CA 3.38Å; G669-G731 PolarHBondContact O-N 3.5Å; G669-A732 PolarHBondContact O-N 3.39Å; G669-Q733 WeakPolarHBondContact O-CA 3.31Å; G669-Q733 PolarHBondContact O-N 3.03Å |
| 670 | F | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 1.8 Ų | 1.8 | 0% | 0 | 1% | 0.009 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 11.4 | 175 | -71.6 | -66.5 | 0 | 0 | 0 | 114.6 | F506 L630 H637 V666 L667 L668 Q733 F735 F749 T752 | F506-F670 AromaticContact CD1-CE2 3.58Å; F506-F670 HydrophobicContact CD1-CE2 3.58Å; F506-F670 AromaticContact CD1-CZ 3.69Å; F506-F670 HydrophobicContact CD1-CZ 3.69Å; F506-F670 HydrophobicContact CE1-CE1 4.38Å; F506-F670 AromaticContact CE1-CE2 3.49Å; F506-F670 HydrophobicContact CE1-CE2 3.49Å; F506-F670 VanDerWaalsContact CE1-CE2 3.49Å; F506-F670 AromaticContact CE1-CZ 3.34Å; F506-F670 HydrophobicContact CE1-CZ 3.34Å; F506-F670 HydrophobicContact CG-CE2 4.21Å; F506-F670 HydrophobicContact CZ-CE2 4.06Å; F506-F670 HydrophobicContact CZ-CZ 4.15Å; L630-F670 HydrophobicContact CD1-CB 4.07Å; L630-F670 HydrophobicContact CD1-CD2 3.71Å; L630-F670 HydrophobicContact CD1-CG 4.17Å; H637-F670 WeakPolarHBondContact CB-O 3.28Å; H637-F670 PolarHBondContact CD2-O 3.16Å; V666-F670 HydrophobicContact CG1-CD2 3.68Å; V666-F670 HydrophobicContact CG1-CE2 3.83Å; V666-F670 WeakPolarHBondContact O-CD2 3.39Å; V666-F670 PolarHBondContact O-N 3.48Å; L667-F670 PolarHBondContact O-N 3.02Å; L668-F670 PolarHBondContact O-N 2.84Å; F670-Q733 HydrophobicContact CD1-CB 4.49Å; F670-Q733 HydrophobicContact CD1-CG 3.8Å; F670-Q733 HydrophobicContact CE1-CB 3.94Å; F670-Q733 HydrophobicContact CE1-CG 3.63Å; F670-Q733 HydrophobicContact CZ-CB 4.43Å; F670-F735 HydrophobicContact CE2-CB 4.48Å; F670-F735 AromaticContact CE2-CD2 3.99Å; F670-F735 HydrophobicContact CE2-CD2 3.99Å; F670-F735 HydrophobicContact CE2-CG 4.42Å; F670-F735 HydrophobicContact CZ-CB 4.46Å; F670-F735 HydrophobicContact CZ-CD2 4.44Å; F670-F749 HydrophobicContact CB-CD1 4.49Å; F670-F749 HydrophobicContact CD1-CB 4.27Å; F670-F749 AromaticContact CD1-CD1 3.49Å; F670-F749 HydrophobicContact CD1-CD1 3.49Å; F670-F749 VanDerWaalsContact CD1-CD1 3.49Å; F670-F749 HydrophobicContact CD1-CE1 4.32Å; F670-F749 HydrophobicContact CD1-CG 4.31Å; F670-F749 HydrophobicContact CD2-CD1 4.2Å; F670-F749 HydrophobicContact CD2-CE1 4.39Å; F670-F749 HydrophobicContact CE1-CB 3.74Å; F670-F749 AromaticContact CE1-CD1 3.64Å; F670-F749 HydrophobicContact CE1-CD1 3.64Å; F670-F749 HydrophobicContact CE1-CG 4.05Å; F670-F749 HydrophobicContact CE2-CD1 4.33Å; F670-F749 AromaticContact CG-CD1 3.8Å; F670-F749 HydrophobicContact CG-CD1 3.8Å; F670-F749 HydrophobicContact CG-CE1 4.18Å; F670-F749 HydrophobicContact CZ-CB 4.31Å; F670-F749 HydrophobicContact CZ-CD1 4.07Å; F670-F749 HydrophobicContact CZ-CG 4.41Å; F670-T752 WeakPolarHBondContact CE1-OG1 3.37Å; F670-T752 HydrophobicContact CZ-CG2 4.34Å |
| 671 | G | 96 | Very high | 97.4 | Very high | 2 Ų | 2 | 1.5 Ų | 1.5 | 2% | 0.021 | 1% | 0.008 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 112.8 | 6.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | R646 L667 L668 | R646-G671 PolarHBondContact NH2-O 2.86Å; L667-G671 PolarHBondContact O-N 3.33Å; L668-G671 PolarHBondContact O-N 3.39Å; L668-G671 VanDerWaalsContact O-N 3.09Å |
| 672 | A | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 1.3 Ų | 1.3 | 0% | 0 | 1% | 0.007 | C | C | . | . | trans | -64 | 137.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V633 V653 L667 L668 I675 | V633-A672 HydrophobicContact CG2-CB 4.06Å; V653-A672 HydrophobicContact CG2-CB 3.92Å; L667-A672 HydrophobicContact CB-CB 4.12Å; L667-A672 VanDerWaalsContact O-CB 3.23Å; L667-A672 WeakPolarHBondContact O-CB 3.42Å; L667-A672 PolarHBondContact O-N 3.5Å; L668-A672 WeakPolarHBondContact CD2-O 3.37Å; A672-I675 HydrophobicContact CB-CG1 4.23Å | ||
| 673 | D | 97.7 | Very high | 96.9 | Very high | 9 Ų | 9 | 1.3 Ų | 1.3 | 5% | 0.048 | 1% | 0.007 | C | C | . | . | S | Bend | trans | -93.9 | -32.8 | 173.9 | -76.5 | -58.9 | 0 | 0 | 0 | 112.1 | I533 R646 G650 L651 K730 | I533-D673 HydrophobicContact CB-CB 3.92Å; I533-D673 HydrophobicContact CD1-CB 4.45Å; I533-D673 HydrophobicContact CG2-CB 3.65Å; R646-D673 IonicContact CZ-OD2 2.86Å; R646-D673 IonicContact NH1-OD2 3.15Å; R646-D673 IonicContact NH2-OD1 3.12Å; R646-D673 IonicContact NH2-OD2 3.57Å; R646-D673 PolarHBondContact NH2-OD2 2.93Å; G650-D673 VanDerWaalsContact CA-OD2 3.32Å; G650-D673 WeakPolarHBondContact CA-OD2 3.16Å; L651-D673 PolarHBondContact N-OD2 3.25Å; L651-D673 WeakPolarHBondContact O-CA 3.44Å; L651-D673 WeakPolarHBondContact O-CB 3.21Å; L651-D673 PolarHBondContact O-N 3.09Å; D673-K730 IonicContact OD1-NZ 3.35Å; D673-K730 PolarHBondContact OD1-NZ 3.23Å |
| 674 | A | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 1 Ų | 1 | 0% | 0 | 1% | 0.005 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 154.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | L552 P555 L557 V652 V653 | L552-A674 HydrophobicContact CD1-CB 3.62Å; P555-A674 CarbonylContact O-C 3.44Å; P555-A674 VanDerWaalsContact O-CA 3.28Å; P555-A674 WeakPolarHBondContact O-CA 3.09Å; L557-A674 HydrophobicContact CD1-CB 3.63Å; L557-A674 HydrophobicContact CD2-CB 4.29Å; L557-A674 HydrophobicContact CG-CB 3.89Å; V652-A674 WeakPolarHBondContact CA-O 3.33Å; V652-A674 HydrophobicContact CG1-CB 4.16Å; V652-A674 HydrophobicContact CG2-CB 4.31Å; V653-A674 PolarHBondContact N-O 3.47Å |
| 675 | I | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 1% | 0.008 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 127.9 | -171.9 | -53.9 | 163.8 | 0 | 0 | 0 | 109.5 | P555 I556 L557 V653 F664 L667 L668 A672 | P555-I675 PolarHBondContact O-N 3.37Å; I556-I675 WeakPolarHBondContact CA-O 3.34Å; I556-I675 HydrophobicContact CD1-CB 4.33Å; L557-I675 PolarHBondContact N-O 3.29Å; V653-I675 CarbonylContact O-C 3.48Å; V653-I675 VanDerWaalsContact O-CA 3.31Å; V653-I675 WeakPolarHBondContact O-CA 3.49Å; F664-I675 HydrophobicContact CB-CD1 4.22Å; F664-I675 HydrophobicContact CD1-CD1 4.09Å; F664-I675 HydrophobicContact CD1-CG2 4.02Å; F664-I675 HydrophobicContact CE1-CG2 4.17Å; L667-I675 HydrophobicContact CB-CD1 3.6Å; L667-I675 HydrophobicContact CB-CG1 4.36Å; L667-I675 HydrophobicContact CD1-CD1 3.85Å; L667-I675 HydrophobicContact CD1-CG1 4.26Å; L667-I675 HydrophobicContact CD1-CG2 4.11Å; L667-I675 HydrophobicContact CG-CD1 4.38Å; L668-I675 HydrophobicContact CD1-CD1 4.5Å; L668-I675 HydrophobicContact CD2-CD1 4.11Å; L668-I675 HydrophobicContact CG-CD1 3.91Å; A672-I675 HydrophobicContact CB-CG1 4.23Å |
| 676 | C | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 1% | 0.01 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 102 | 168.4 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | L557 M562 V653 S655 Y678 | L557-C676 HydrophobicContact CB-CB 4.26Å; M562-C676 HydrophobicContact CB-CB 4.04Å; M562-C676 HydrophobicContact CE-CB 3.35Å; M562-C676 HydrophobicContact CG-CB 4.18Å; V653-C676 PolarHBondContact O-N 3.04Å; S655-C676 PolarHBondContact N-O 3.3Å; C676-Y678 PolarHBondContact O-N 2.83Å |
| 677 | P | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 1% | 0.013 | C | C | . | . | trans | -78 | 70.8 | 174.5 | 31.6 | -32.9 | 0 | 0 | 0 | 110.4 | I556 S655 A658 F664 L679 V680 Y681 F706 | I556-P677 HydrophobicContact CG2-CG 4.45Å; S655-P677 CarbonylContact O-C 3.57Å; S655-P677 WeakPolarHBondContact O-CA 3.3Å; A658-P677 VanDerWaalsContact O-CB 3.25Å; A658-P677 WeakPolarHBondContact O-CB 3.37Å; F664-P677 HydrophobicContact CE1-CB 3.9Å; F664-P677 HydrophobicContact CE1-CG 4.01Å; F664-P677 HydrophobicContact CZ-CB 4.04Å; F664-P677 HydrophobicContact CZ-CG 4.02Å; P677-L679 VanDerWaalsContact C-N 3.26Å; P677-L679 PolarHBondContact O-N 3.01Å; P677-V680 HydrophobicContact CB-CB 4.26Å; P677-V680 HydrophobicContact CB-CG2 4.01Å; P677-V680 WeakPolarHBondContact O-CB 3.39Å; P677-V680 PolarHBondContact O-N 3.42Å; P677-V680 VanDerWaalsContact O-N 3.15Å; P677-Y681 HydrophobicContact CG-CE2 3.97Å; P677-Y681 WeakPolarHBondContact O-CD2 3.37Å; P677-F706 HydrophobicContact CG-CE1 3.86Å; P677-F706 HydrophobicContact CG-CZ 4.47Å | ||
| 678 | Y | 96.3 | Very high | 95 | Very high | 1 Ų | 1 | 6.1 Ų | 6.1 | 0% | 0.004 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -60.5 | -37 | -167 | 78.5 | -97.8 | 0 | 0 | 0 | 112.8 | D617 R618 E654 S655 G656 C676 V680 Y681 E682 | D617-Y678 VanDerWaalsContact OD1-CE1 3.3Å; D617-Y678 WeakPolarHBondContact OD1-CE1 3.46Å; R618-Y678 HydrophobicContact CB-CE1 4.38Å; E654-Y678 HydrophobicContact CG-CD1 3.7Å; E654-Y678 HydrophobicContact CG-CE1 4.42Å; E654-Y678 HydrophobicContact CG-CG 4.44Å; S655-Y678 WeakPolarHBondContact O-CD1 3.16Å; S655-Y678 PolarHBondContact O-N 3.35Å; G656-Y678 VanDerWaalsContact N-CE1 3.27Å; C676-Y678 PolarHBondContact O-N 2.83Å; Y678-V680 VanDerWaalsContact C-N 3.27Å; Y678-V680 PolarHBondContact O-N 3.47Å; Y678-Y681 PolarHBondContact O-N 3.39Å; Y678-Y681 VanDerWaalsContact O-N 3.13Å; Y678-E682 HydrophobicContact CD2-CG 4.44Å; Y678-E682 VanDerWaalsContact CD2-OE1 3.25Å; Y678-E682 WeakPolarHBondContact CD2-OE1 3.46Å; Y678-E682 PolarHBondContact O-N 2.87Å |
| 679 | L | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -70.8 | -27.6 | -175.3 | -170.9 | 57.4 | 0 | 0 | 0 | 111.4 | R457 L458 F461 Y463 P677 T683 | R457-L679 HydrophobicContact CB-CD1 4.41Å; R457-L679 HydrophobicContact CB-CD2 4.22Å; L458-L679 HydrophobicContact CD2-CD1 4.09Å; L458-L679 HydrophobicContact CD2-CD2 3.94Å; L458-L679 HydrophobicContact CD2-CG 3.84Å; F461-L679 HydrophobicContact CB-CD2 4.28Å; F461-L679 HydrophobicContact CD2-CD2 3.51Å; F461-L679 HydrophobicContact CE2-CD2 4.21Å; F461-L679 HydrophobicContact CG-CD2 4.23Å; Y463-L679 HydrophobicContact CD2-CD2 4.32Å; Y463-L679 HydrophobicContact CE2-CD2 3.79Å; Y463-L679 HydrophobicContact CE2-CG 4.35Å; P677-L679 VanDerWaalsContact C-N 3.26Å; P677-L679 PolarHBondContact O-N 3.01Å; L679-T683 VanDerWaalsContact O-CB 3.31Å; L679-T683 WeakPolarHBondContact O-CB 3.43Å; L679-T683 PolarHBondContact O-N 3.13Å; L679-T683 PolarHBondContact O-OG1 3.4Å |
| 680 | V | 95.7 | Very high | 94 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.006 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62 | -47.1 | 170.5 | 175.7 | 0 | 0 | 0 | 0 | 110 | Y463 I472 R659 P677 Y678 T683 L684 F706 | Y463-V680 HydrophobicContact CE1-CG2 4.31Å; I472-V680 HydrophobicContact CD1-CG1 4.44Å; I472-V680 HydrophobicContact CD1-CG2 4.39Å; I472-V680 HydrophobicContact CG2-CG1 4.04Å; R659-V680 HydrophobicContact CB-CG2 3.7Å; P677-V680 HydrophobicContact CB-CB 4.26Å; P677-V680 HydrophobicContact CB-CG2 4.01Å; P677-V680 WeakPolarHBondContact O-CB 3.39Å; P677-V680 PolarHBondContact O-N 3.42Å; P677-V680 VanDerWaalsContact O-N 3.15Å; Y678-V680 VanDerWaalsContact C-N 3.27Å; Y678-V680 PolarHBondContact O-N 3.47Å; V680-T683 PolarHBondContact O-N 3.03Å; V680-L684 HydrophobicContact CG1-CD1 3.69Å; V680-L684 HydrophobicContact CG1-CG 4.46Å; V680-L684 WeakPolarHBondContact O-CB 3.27Å; V680-L684 VanDerWaalsContact O-CG 3.26Å; V680-L684 WeakPolarHBondContact O-CG 3.35Å; V680-L684 PolarHBondContact O-N 2.81Å; V680-F706 HydrophobicContact CG1-CD2 4.33Å; V680-F706 HydrophobicContact CG1-CE2 3.89Å; V680-F706 HydrophobicContact CG1-CZ 4Å |
| 681 | Y | 94.5 | Very high | 93.4 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.5 | -44.5 | -179.9 | -57.5 | -49.4 | 0 | 0 | 0 | 112.5 | I556 L557 V559 P677 Y678 T683 L684 Y685 F703 F706 | I556-Y681 WeakPolarHBondContact CG2-OH 3.36Å; L557-Y681 WeakPolarHBondContact O-CE2 3.41Å; L557-Y681 PolarHBondContact O-OH 2.75Å; V559-Y681 HydrophobicContact CG1-CD2 3.89Å; P677-Y681 HydrophobicContact CG-CE2 3.97Å; P677-Y681 WeakPolarHBondContact O-CD2 3.37Å; Y678-Y681 PolarHBondContact O-N 3.39Å; Y678-Y681 VanDerWaalsContact O-N 3.13Å; Y681-T683 VanDerWaalsContact C-N 3.27Å; Y681-T683 PolarHBondContact O-N 3.25Å; Y681-L684 PolarHBondContact O-N 2.83Å; Y681-Y685 WeakPolarHBondContact O-CB 3.46Å; Y681-Y685 PolarHBondContact O-N 3.27Å; Y681-F703 AromaticContact CE1-CD2 3.91Å; Y681-F703 HydrophobicContact CE1-CD2 3.91Å; Y681-F703 AromaticContact CZ-CD2 3.81Å; Y681-F706 AromaticContact CE1-CD1 3.88Å; Y681-F706 HydrophobicContact CE1-CD1 3.88Å; Y681-F706 HydrophobicContact CE1-CE1 4.49Å; Y681-F706 HydrophobicContact CE1-CG 4.39Å |
| 682 | E | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.9 | -38.3 | 175.8 | -73.5 | 179.7 | -161.1 | 0 | 0 | 111.8 | L438 L442 R457 R618 Y678 Y685 R686 | L438-E682 HydrophobicContact CD2-CG 3.92Å; L442-E682 HydrophobicContact CD1-CB 4.49Å; L442-E682 HydrophobicContact CD2-CB 4.17Å; L442-E682 HydrophobicContact CD2-CG 4.43Å; L442-E682 HydrophobicContact CG-CB 4.44Å; L442-E682 HydrophobicContact CG-CG 4.38Å; R457-E682 IonicContact CZ-OE2 3.49Å; R457-E682 VanDerWaalsContact CZ-OE2 3.24Å; R457-E682 IonicContact NH1-OE2 2.82Å; R457-E682 PolarHBondContact NH1-OE2 2.84Å; R457-E682 IonicContact NH2-OE2 3.68Å; R457-E682 PolarHBondContact NH2-OE2 2.66Å; R618-E682 IonicContact CZ-OE1 3.61Å; R618-E682 IonicContact NH1-OE1 3.67Å; R618-E682 PolarHBondContact NH1-OE1 3.47Å; R618-E682 IonicContact NH2-OE1 2.67Å; R618-E682 PolarHBondContact NH2-OE1 3Å; Y678-E682 HydrophobicContact CD2-CG 4.44Å; Y678-E682 VanDerWaalsContact CD2-OE1 3.25Å; Y678-E682 WeakPolarHBondContact CD2-OE1 3.46Å; Y678-E682 PolarHBondContact O-N 2.87Å; E682-Y685 WeakPolarHBondContact O-CB 3.4Å; E682-R686 PolarHBondContact O-N 3.01Å |
| 683 | T | 92 | Very high | 92.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -74 | -40.3 | 178.6 | -50.9 | 0 | 0 | 0 | 0 | 112.4 | I452 L458 F468 L679 V680 Y681 Y685 R686 L687 | I452-T683 HydrophobicContact CG2-CG2 4.02Å; L458-T683 HydrophobicContact CD1-CG2 4.08Å; L458-T683 WeakPolarHBondContact CD2-OG1 3.46Å; F468-T683 HydrophobicContact CD1-CG2 4.26Å; F468-T683 HydrophobicContact CE1-CG2 3.39Å; F468-T683 HydrophobicContact CE2-CG2 4.4Å; F468-T683 HydrophobicContact CZ-CG2 3.49Å; F468-T683 VanDerWaalsContact CZ-CG2 3.49Å; L679-T683 VanDerWaalsContact O-CB 3.31Å; L679-T683 WeakPolarHBondContact O-CB 3.43Å; L679-T683 PolarHBondContact O-N 3.13Å; L679-T683 PolarHBondContact O-OG1 3.4Å; V680-T683 PolarHBondContact O-N 3.03Å; Y681-T683 VanDerWaalsContact C-N 3.27Å; Y681-T683 PolarHBondContact O-N 3.25Å; T683-Y685 VanDerWaalsContact C-N 3.28Å; T683-Y685 PolarHBondContact O-N 2.87Å; T683-R686 WeakPolarHBondContact O-CB 3.35Å; T683-R686 PolarHBondContact O-N 3.16Å; T683-R686 VanDerWaalsContact O-N 3.16Å; T683-L687 HydrophobicContact CG2-CD1 4.45Å; T683-L687 WeakPolarHBondContact O-CG 3.48Å; T683-L687 PolarHBondContact O-N 2.97Å |
| 684 | L | 91.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.7 | -33.6 | 176.9 | -71.9 | 166 | 0 | 0 | 0 | 112 | I472 I476 V680 Y681 L687 R688 L693 I702 | I472-L684 HydrophobicContact CG2-CD1 3.86Å; I472-L684 HydrophobicContact CG2-CD2 3.85Å; I472-L684 HydrophobicContact CG2-CG 4.12Å; I476-L684 HydrophobicContact CD1-CD1 3.89Å; I476-L684 HydrophobicContact CG1-CD1 4.09Å; I476-L684 HydrophobicContact CG1-CD2 4.12Å; V680-L684 HydrophobicContact CG1-CD1 3.69Å; V680-L684 HydrophobicContact CG1-CG 4.46Å; V680-L684 WeakPolarHBondContact O-CB 3.27Å; V680-L684 VanDerWaalsContact O-CG 3.26Å; V680-L684 WeakPolarHBondContact O-CG 3.35Å; V680-L684 PolarHBondContact O-N 2.81Å; Y681-L684 PolarHBondContact O-N 2.83Å; L684-L687 HydrophobicContact CD2-CD1 4.13Å; L684-L687 PolarHBondContact O-N 2.94Å; L684-R688 WeakPolarHBondContact O-CB 3.21Å; L684-R688 PolarHBondContact O-N 3.44Å; L684-L693 HydrophobicContact CD2-CD1 4.41Å; L684-L693 HydrophobicContact CD2-CD2 4.37Å; L684-I702 HydrophobicContact CB-CG2 3.85Å; L684-I702 HydrophobicContact CD1-CG2 3.63Å; L684-I702 HydrophobicContact CG-CG2 4.26Å |
| 685 | Y | 90.6 | Very high | 91 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 4% | 0.043 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.8 | -47 | 170.2 | 177.9 | -97.3 | 0 | 0 | 0 | 111.8 | E435 L438 L442 Y681 E682 T683 R688 R689 D699 | E435-Y685 HydrophobicContact CG-CE2 4.13Å; L438-Y685 HydrophobicContact CB-CD1 4.49Å; L438-Y685 HydrophobicContact CB-CD2 4.11Å; L438-Y685 HydrophobicContact CB-CG 4.1Å; L438-Y685 HydrophobicContact CD1-CD2 4.04Å; L438-Y685 HydrophobicContact CD1-CG 4.32Å; L442-Y685 HydrophobicContact CD1-CD1 3.52Å; L442-Y685 HydrophobicContact CD1-CE1 4.05Å; L442-Y685 HydrophobicContact CD1-CG 4.46Å; Y681-Y685 WeakPolarHBondContact O-CB 3.46Å; Y681-Y685 PolarHBondContact O-N 3.27Å; E682-Y685 WeakPolarHBondContact O-CB 3.4Å; T683-Y685 VanDerWaalsContact C-N 3.28Å; T683-Y685 PolarHBondContact O-N 2.87Å; Y685-R688 WeakPolarHBondContact O-CB 3.32Å; Y685-R688 PolarHBondContact O-N 2.8Å; Y685-R689 HydrophobicContact CE1-CG 4.29Å; Y685-R689 PolarHBondContact O-N 2.98Å; Y685-D699 WeakPolarHBondContact CD2-OD1 3.46Å; Y685-D699 WeakPolarHBondContact CD2-OD2 3.48Å; Y685-D699 WeakPolarHBondContact CE2-OD2 3.43Å |
| 686 | R | 89.1 | Confident | 90.3 | Very high | 16 Ų | 16 | 43.5 Ų | 43.5 | 6% | 0.06 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.3 | -48.6 | 174.7 | -76.9 | 178.2 | 148.2 | 160.4 | -9.3 | 111.8 | L442 E449 I452 D455 E682 T683 R688 R689 M690 | L442-R686 HydrophobicContact CD1-CG 4.29Å; E449-R686 PolarHBondContact O-NH2 3.36Å; I452-R686 HydrophobicContact CG2-CB 4.08Å; D455-R686 VanDerWaalsContact CB-NH1 3.31Å; D455-R686 VanDerWaalsContact CG-NH1 3.29Å; D455-R686 IonicContact OD2-NH1 2.69Å; D455-R686 PolarHBondContact OD2-NH1 3.4Å; E682-R686 PolarHBondContact O-N 3.01Å; T683-R686 WeakPolarHBondContact O-CB 3.35Å; T683-R686 PolarHBondContact O-N 3.16Å; T683-R686 VanDerWaalsContact O-N 3.16Å; R686-R688 VanDerWaalsContact C-N 3.29Å; R686-R688 PolarHBondContact O-N 2.72Å; R686-R689 PolarHBondContact O-N 3.47Å; R686-R689 VanDerWaalsContact O-N 3.09Å; R686-M690 VanDerWaalsContact O-CG 3.3Å; R686-M690 WeakPolarHBondContact O-CG 3.29Å; R686-M690 PolarHBondContact O-N 2.99Å |
| 687 | L | 89.7 | Confident | 89.9 | Confident | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.9 | -40.1 | 177.4 | -72.3 | 174.1 | 0 | 0 | 0 | 112.5 | I452 F468 T683 L684 M690 G691 L692 L693 | I452-L687 HydrophobicContact CD1-CD2 4.06Å; I452-L687 HydrophobicContact CG2-CD2 4.01Å; I452-L687 HydrophobicContact CG2-CG 4.21Å; F468-L687 HydrophobicContact CD1-CD1 4.19Å; T683-L687 HydrophobicContact CG2-CD1 4.45Å; T683-L687 WeakPolarHBondContact O-CG 3.48Å; T683-L687 PolarHBondContact O-N 2.97Å; L684-L687 HydrophobicContact CD2-CD1 4.13Å; L684-L687 PolarHBondContact O-N 2.94Å; L687-M690 PolarHBondContact O-N 2.91Å; L687-G691 PolarHBondContact O-N 3.41Å; L687-L692 HydrophobicContact CD2-CB 4.22Å; L687-L692 HydrophobicContact CD2-CD1 3.73Å; L687-L692 PolarHBondContact O-N 3.23Å; L687-L693 HydrophobicContact CB-CD1 4.32Å; L687-L693 HydrophobicContact CB-CD2 4.38Å; L687-L693 HydrophobicContact CB-CG 4.11Å |
| 688 | R | 89.5 | Confident | 89.6 | Confident | 69 Ų | 69 | 47.7 Ų | 47.7 | 26% | 0.26 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 173.5 | -175.2 | -178.1 | 65.7 | 97.2 | -8 | 111.1 | E435 L684 Y685 R686 M690 G691 L693 F697 D699 I702 | E435-R688 IonicContact OE1-NH2 3.94Å; L684-R688 WeakPolarHBondContact O-CB 3.21Å; L684-R688 PolarHBondContact O-N 3.44Å; Y685-R688 WeakPolarHBondContact O-CB 3.32Å; Y685-R688 PolarHBondContact O-N 2.8Å; R686-R688 VanDerWaalsContact C-N 3.29Å; R686-R688 PolarHBondContact O-N 2.72Å; R688-M690 PolarHBondContact O-N 2.98Å; R688-G691 PolarHBondContact O-N 3.02Å; R688-L693 HydrophobicContact CB-CD1 3.95Å; R688-F697 WeakPolarHBondContact CD-O 3.25Å; R688-D699 IonicContact CZ-OD1 3.52Å; R688-D699 IonicContact CZ-OD2 2.71Å; R688-D699 IonicContact NE-OD1 3.84Å; R688-D699 PolarHBondContact NE-OD1 2.85Å; R688-D699 IonicContact NE-OD2 3.32Å; R688-D699 IonicContact NH2-OD1 3.36Å; R688-D699 PolarHBondContact NH2-OD1 3.22Å; R688-D699 IonicContact NH2-OD2 3.47Å; R688-D699 PolarHBondContact NH2-OD2 2.92Å; R688-I702 HydrophobicContact CB-CD1 4.24Å; R688-I702 HydrophobicContact CG-CD1 4.49Å |
| 689 | R | 86.6 | Confident | 89.3 | Confident | 186 Ų | 186 | 48.1 Ų | 48.1 | 70% | 0.702 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.1 | -30.9 | 179.7 | -73.7 | -161.3 | 66.1 | -173.8 | -4.5 | 113.1 | Y685 R686 G691 | Y685-R689 HydrophobicContact CE1-CG 4.29Å; Y685-R689 PolarHBondContact O-N 2.98Å; R686-R689 PolarHBondContact O-N 3.47Å; R686-R689 VanDerWaalsContact O-N 3.09Å; R689-G691 PolarHBondContact O-N 3.15Å |
| 690 | M | 87 | Confident | 89.1 | Confident | 81 Ų | 81 | 51.7 Ų | 51.7 | 40% | 0.399 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -6.7 | 173.6 | -65 | 172.1 | 73.6 | 0 | 0 | 113.4 | I452 R686 L687 R688 L692 | I452-M690 HydrophobicContact CG2-SD 4.13Å; R686-M690 VanDerWaalsContact O-CG 3.3Å; R686-M690 WeakPolarHBondContact O-CG 3.29Å; R686-M690 PolarHBondContact O-N 2.99Å; L687-M690 PolarHBondContact O-N 2.91Å; R688-M690 PolarHBondContact O-N 2.98Å; M690-L692 HydrophobicContact CB-CD1 4.04Å; M690-L692 HydrophobicContact CB-CG 4.05Å; M690-L692 HydrophobicContact CE-CD1 3.95Å; M690-L692 HydrophobicContact SD-CD1 4.32Å |
| 691 | G | 86.7 | Confident | 89 | Confident | 56 Ų | 56 | 54.5 Ų | 54.5 | 58% | 0.577 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 21.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L687 R688 R689 | L687-G691 PolarHBondContact O-N 3.41Å; R688-G691 PolarHBondContact O-N 3.02Å; R689-G691 PolarHBondContact O-N 3.15Å |
| 692 | L | 86.2 | Confident | 89 | Confident | 103 Ų | 103 | 54.3 Ų | 54.3 | 54% | 0.539 | 29% | 0.285 | S | S | . | . | trans | -92.4 | 3 | -176.3 | -65.7 | 174.5 | 0 | 0 | 0 | 114 | L687 M690 | L687-L692 HydrophobicContact CD2-CB 4.22Å; L687-L692 HydrophobicContact CD2-CD1 3.73Å; L687-L692 PolarHBondContact O-N 3.23Å; M690-L692 HydrophobicContact CB-CD1 4.04Å; M690-L692 HydrophobicContact CB-CG 4.05Å; M690-L692 HydrophobicContact CE-CD1 3.95Å; M690-L692 HydrophobicContact SD-CD1 4.32Å | ||
| 693 | L | 86.4 | Confident | 89 | Confident | 14 Ų | 14 | 55 Ų | 55 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -110.4 | 115.7 | 178.2 | -63.9 | 179 | 0 | 0 | 0 | 110.2 | V473 L684 L687 R688 F697 I702 | V473-L693 HydrophobicContact CG1-CD2 4.27Å; V473-L693 HydrophobicContact CG2-CD2 3.99Å; L684-L693 HydrophobicContact CD2-CD1 4.41Å; L684-L693 HydrophobicContact CD2-CD2 4.37Å; L687-L693 HydrophobicContact CB-CD1 4.32Å; L687-L693 HydrophobicContact CB-CD2 4.38Å; L687-L693 HydrophobicContact CB-CG 4.11Å; R688-L693 HydrophobicContact CB-CD1 3.95Å; L693-F697 HydrophobicContact CB-CD2 4.35Å; L693-I702 HydrophobicContact CD1-CD1 3.66Å; L693-I702 HydrophobicContact CD1-CG1 4.41Å |
| 694 | E | 82 | Confident | 89.2 | Confident | 159 Ų | 159 | 59.2 Ų | 59.2 | 74% | 0.743 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -119.7 | 137.1 | 174.4 | -67.6 | -172 | 170.5 | 0 | 0 | 111.2 | ||
| 695 | P | 83.7 | Confident | 89.4 | Confident | 72 Ų | 72 | 59.3 Ų | 59.3 | 47% | 0.468 | 31% | 0.308 | S | S | . | . | S | Bend | cis | -62.1 | 168 | -9.8 | 27.9 | -36.5 | 0 | 0 | 0 | 113 | F697 | P695-F697 VanDerWaalsContact CD-CZ 3.47Å; P695-F697 HydrophobicContact CG-CE1 3.76Å; P695-F697 HydrophobicContact CG-CE2 4.11Å; P695-F697 HydrophobicContact CG-CZ 3.49Å; P695-F697 VanDerWaalsContact CG-CZ 3.49Å; P695-F697 WeakPolarHBondContact O-CD2 3.43Å; P695-F697 WeakPolarHBondContact O-CE2 3.1Å; P695-F697 WeakPolarHBondContact O-CG 3.3Å; P695-F697 PolarHBondContact O-N 2.85Å |
| 696 | P | 83.6 | Confident | 89.7 | Confident | 125 Ų | 125 | 58.8 Ų | 58.8 | 81% | 0.812 | 31% | 0.306 | S | S | * | . | trans | -62.5 | 124.1 | 176.9 | 25.6 | -34 | 0 | 0 | 0 | 110.4 | ||||
| 697 | F | 90.4 | Very high | 90 | Very high | 31 Ų | 31 | 60.8 Ų | 60.8 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | trans | -113.2 | 146.9 | 178.2 | -59.8 | -71.2 | 0 | 0 | 0 | 110.4 | I476 R688 L693 P695 Q701 I702 | I476-F697 HydrophobicContact CG2-CD2 3.93Å; I476-F697 HydrophobicContact CG2-CE2 3.96Å; I476-F697 HydrophobicContact CG2-CG 4.35Å; I476-F697 HydrophobicContact CG2-CZ 4.38Å; R688-F697 WeakPolarHBondContact CD-O 3.25Å; L693-F697 HydrophobicContact CB-CD2 4.35Å; P695-F697 VanDerWaalsContact CD-CZ 3.47Å; P695-F697 HydrophobicContact CG-CE1 3.76Å; P695-F697 HydrophobicContact CG-CE2 4.11Å; P695-F697 HydrophobicContact CG-CZ 3.49Å; P695-F697 VanDerWaalsContact CG-CZ 3.49Å; P695-F697 WeakPolarHBondContact O-CD2 3.43Å; P695-F697 WeakPolarHBondContact O-CE2 3.1Å; P695-F697 WeakPolarHBondContact O-CG 3.3Å; P695-F697 PolarHBondContact O-N 2.85Å; F697-Q701 HydrophobicContact CB-CB 4.43Å; F697-Q701 HydrophobicContact CD1-CG 3.88Å; F697-I702 HydrophobicContact CB-CD1 4.26Å; F697-I702 HydrophobicContact CB-CG1 3.66Å; F697-I702 HydrophobicContact CG-CG1 4.45Å | ||
| 698 | S | 91.3 | Very high | 90.3 | Very high | 58 Ų | 58 | 63 Ų | 63 | 41% | 0.406 | 33% | 0.325 | S | S | . | . | trans | -77.8 | 163.4 | 163.1 | 68.2 | 0 | 0 | 0 | 0 | 110.7 | E700 Q701 I702 | S698-E700 VanDerWaalsContact C-N 3.27Å; S698-E700 PolarHBondContact O-N 3.07Å; S698-Q701 PolarHBondContact O-N 2.9Å; S698-Q701 VanDerWaalsContact O-N 3.1Å; S698-Q701 WeakPolarHBondContact OG-CB 3.39Å; S698-Q701 PolarHBondContact OG-N 3.34Å; S698-Q701 VanDerWaalsContact OG-N 3.12Å; S698-I702 WeakPolarHBondContact O-CG1 3.33Å; S698-I702 PolarHBondContact O-N 3.39Å | ||
| 699 | D | 89.5 | Confident | 90.6 | Very high | 9 Ų | 9 | 59.7 Ų | 59.7 | 5% | 0.048 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 177.6 | -66.1 | -36.1 | 0 | 0 | 0 | 111.7 | F434 L438 Y685 R688 I702 F703 | F434-D699 HydrophobicContact CB-CB 3.87Å; L438-D699 HydrophobicContact CD1-CB 4.47Å; Y685-D699 WeakPolarHBondContact CD2-OD1 3.46Å; Y685-D699 WeakPolarHBondContact CD2-OD2 3.48Å; Y685-D699 WeakPolarHBondContact CE2-OD2 3.43Å; R688-D699 IonicContact CZ-OD1 3.52Å; R688-D699 IonicContact CZ-OD2 2.71Å; R688-D699 IonicContact NE-OD1 3.84Å; R688-D699 PolarHBondContact NE-OD1 2.85Å; R688-D699 IonicContact NE-OD2 3.32Å; R688-D699 IonicContact NH2-OD1 3.36Å; R688-D699 PolarHBondContact NH2-OD1 3.22Å; R688-D699 IonicContact NH2-OD2 3.47Å; R688-D699 PolarHBondContact NH2-OD2 2.92Å; D699-I702 PolarHBondContact O-N 3.15Å; D699-F703 PolarHBondContact O-N 3.48Å |
| 700 | E | 91.4 | Very high | 91.1 | Very high | 76 Ų | 76 | 50.9 Ų | 50.9 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 172.4 | -66.7 | 71.7 | -158.3 | 0 | 0 | 111.3 | F434 S698 I702 F703 E704 | F434-E700 HydrophobicContact CD2-CG 3.68Å; F434-E700 WeakPolarHBondContact CD2-OE1 3.45Å; F434-E700 HydrophobicContact CE2-CG 4.08Å; F434-E700 HydrophobicContact CG-CG 4.44Å; S698-E700 VanDerWaalsContact C-N 3.27Å; S698-E700 PolarHBondContact O-N 3.07Å; E700-I702 VanDerWaalsContact C-N 3.33Å; E700-I702 PolarHBondContact O-N 3Å; E700-F703 WeakPolarHBondContact O-CB 3.31Å; E700-F703 PolarHBondContact O-N 2.92Å; E700-E704 WeakPolarHBondContact O-CG 3.35Å; E700-E704 PolarHBondContact O-N 3.31Å |
| 701 | Q | 94.1 | Very high | 91.6 | Very high | 59 Ų | 59 | 48.8 Ų | 48.8 | 28% | 0.276 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.5 | -36.1 | -179.9 | -170.3 | 65 | 85.2 | 0 | 0 | 111.8 | F697 S698 E704 N705 | F697-Q701 HydrophobicContact CB-CB 4.43Å; F697-Q701 HydrophobicContact CD1-CG 3.88Å; S698-Q701 PolarHBondContact O-N 2.9Å; S698-Q701 VanDerWaalsContact O-N 3.1Å; S698-Q701 WeakPolarHBondContact OG-CB 3.39Å; S698-Q701 PolarHBondContact OG-N 3.34Å; S698-Q701 VanDerWaalsContact OG-N 3.12Å; Q701-E704 PolarHBondContact NE2-OE2 3.33Å; Q701-E704 VanDerWaalsContact NE2-OE2 3.11Å; Q701-E704 PolarHBondContact O-N 2.88Å; Q701-N705 PolarHBondContact NE2-OD1 2.89Å; Q701-N705 WeakPolarHBondContact O-CB 3.38Å; Q701-N705 PolarHBondContact O-N 2.87Å; Q701-N705 PolarHBondContact O-OD1 3.02Å |
| 702 | I | 94 | Very high | 92 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -49.8 | 173 | -70.3 | 170.7 | 0 | 0 | 0 | 109.5 | I476 L684 R688 L693 F697 S698 D699 E700 N705 F706 | I476-I702 HydrophobicContact CD1-CG2 3.94Å; I476-I702 WeakPolarHBondContact CD1-O 3.25Å; I476-I702 HydrophobicContact CG1-CG2 4.38Å; I476-I702 HydrophobicContact CG2-CG1 4.18Å; L684-I702 HydrophobicContact CB-CG2 3.85Å; L684-I702 HydrophobicContact CD1-CG2 3.63Å; L684-I702 HydrophobicContact CG-CG2 4.26Å; R688-I702 HydrophobicContact CB-CD1 4.24Å; R688-I702 HydrophobicContact CG-CD1 4.49Å; L693-I702 HydrophobicContact CD1-CD1 3.66Å; L693-I702 HydrophobicContact CD1-CG1 4.41Å; F697-I702 HydrophobicContact CB-CD1 4.26Å; F697-I702 HydrophobicContact CB-CG1 3.66Å; F697-I702 HydrophobicContact CG-CG1 4.45Å; S698-I702 WeakPolarHBondContact O-CG1 3.33Å; S698-I702 PolarHBondContact O-N 3.39Å; D699-I702 PolarHBondContact O-N 3.15Å; E700-I702 VanDerWaalsContact C-N 3.33Å; E700-I702 PolarHBondContact O-N 3Å; I702-N705 PolarHBondContact O-N 3.42Å; I702-F706 VanDerWaalsContact O-CB 3.31Å; I702-F706 WeakPolarHBondContact O-CB 3.5Å; I702-F706 PolarHBondContact O-N 3.39Å |
| 703 | F | 93.8 | Very high | 92.5 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58 | -50.7 | 176.4 | 164.9 | -108.8 | 0 | 0 | 0 | 111.9 | F434 S558 Y681 D699 E700 N705 F706 R707 | F434-F703 HydrophobicContact CE1-CB 3.72Å; F434-F703 HydrophobicContact CE1-CD1 4.12Å; F434-F703 HydrophobicContact CE1-CD2 4.28Å; F434-F703 AromaticContact CE1-CG 3.77Å; F434-F703 HydrophobicContact CE1-CG 3.77Å; F434-F703 HydrophobicContact CZ-CB 4.04Å; F434-F703 AromaticContact CZ-CD1 3.62Å; F434-F703 HydrophobicContact CZ-CD1 3.62Å; F434-F703 HydrophobicContact CZ-CD2 4.47Å; F434-F703 HydrophobicContact CZ-CE1 4.16Å; F434-F703 AromaticContact CZ-CG 3.77Å; F434-F703 HydrophobicContact CZ-CG 3.77Å; S558-F703 VanDerWaalsContact CB-CE2 3.43Å; Y681-F703 AromaticContact CE1-CD2 3.91Å; Y681-F703 HydrophobicContact CE1-CD2 3.91Å; Y681-F703 AromaticContact CZ-CD2 3.81Å; D699-F703 PolarHBondContact O-N 3.48Å; E700-F703 WeakPolarHBondContact O-CB 3.31Å; E700-F703 PolarHBondContact O-N 2.92Å; F703-N705 PolarHBondContact O-N 3.16Å; F703-F706 PolarHBondContact O-N 3.03Å; F703-R707 HydrophobicContact CE2-CB 4.42Å; F703-R707 WeakPolarHBondContact O-CB 3.33Å; F703-R707 PolarHBondContact O-N 3.36Å |
| 704 | E | 95.5 | Very high | 93 | Very high | 88 Ų | 88 | 45.9 Ų | 45.9 | 41% | 0.411 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.4 | -45 | -179.5 | -74.1 | 179.3 | 170.3 | 0 | 0 | 112.4 | E700 Q701 R707 D708 | E700-E704 WeakPolarHBondContact O-CG 3.35Å; E700-E704 PolarHBondContact O-N 3.31Å; Q701-E704 PolarHBondContact NE2-OE2 3.33Å; Q701-E704 VanDerWaalsContact NE2-OE2 3.11Å; Q701-E704 PolarHBondContact O-N 2.88Å; E704-R707 PolarHBondContact O-N 3.27Å; E704-D708 WeakPolarHBondContact O-CB 3.35Å; E704-D708 PolarHBondContact O-N 3.01Å |
| 705 | N | 96.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.5 | -42.5 | -179.9 | -70.5 | -2.7 | 0 | 0 | 0 | 111.7 | I476 K479 Q701 I702 F703 R707 D708 A709 | I476-N705 HydrophobicContact CG2-CB 4.33Å; I476-N705 VanDerWaalsContact O-CB 3.28Å; I476-N705 WeakPolarHBondContact O-CB 3.47Å; I476-N705 PolarHBondContact O-ND2 2.77Å; K479-N705 WeakPolarHBondContact CE-OD1 3.17Å; K479-N705 HydrophobicContact CG-CB 4.11Å; K479-N705 PolarHBondContact NZ-OD1 3.16Å; Q701-N705 PolarHBondContact NE2-OD1 2.89Å; Q701-N705 WeakPolarHBondContact O-CB 3.38Å; Q701-N705 PolarHBondContact O-N 2.87Å; Q701-N705 PolarHBondContact O-OD1 3.02Å; I702-N705 PolarHBondContact O-N 3.42Å; F703-N705 PolarHBondContact O-N 3.16Å; N705-R707 VanDerWaalsContact C-N 3.29Å; N705-R707 PolarHBondContact O-N 3.43Å; N705-D708 PolarHBondContact O-N 2.98Å; N705-A709 WeakPolarHBondContact O-CB 3.21Å; N705-A709 PolarHBondContact O-N 3.05Å |
| 706 | F | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 174.7 | -172.8 | -103.4 | 0 | 0 | 0 | 111.1 | M475 I476 I556 F664 P677 V680 Y681 I702 F703 A709 C710 | M475-F706 HydrophobicContact CB-CD2 4.48Å; M475-F706 HydrophobicContact CE-CE2 4.18Å; M475-F706 HydrophobicContact SD-CE2 4.41Å; I476-F706 HydrophobicContact CD1-CB 3.5Å; I476-F706 HydrophobicContact CD1-CD2 3.9Å; I476-F706 HydrophobicContact CD1-CG 4.17Å; I556-F706 HydrophobicContact CG2-CD1 4.45Å; I556-F706 HydrophobicContact CG2-CE1 4.35Å; F664-F706 HydrophobicContact CE2-CE1 4.25Å; F664-F706 AromaticContact CE2-CZ 3.87Å; F664-F706 HydrophobicContact CE2-CZ 3.87Å; F664-F706 HydrophobicContact CZ-CE1 4.08Å; F664-F706 AromaticContact CZ-CZ 3.81Å; F664-F706 HydrophobicContact CZ-CZ 3.81Å; P677-F706 HydrophobicContact CG-CE1 3.86Å; P677-F706 HydrophobicContact CG-CZ 4.47Å; V680-F706 HydrophobicContact CG1-CD2 4.33Å; V680-F706 HydrophobicContact CG1-CE2 3.89Å; V680-F706 HydrophobicContact CG1-CZ 4Å; Y681-F706 AromaticContact CE1-CD1 3.88Å; Y681-F706 HydrophobicContact CE1-CD1 3.88Å; Y681-F706 HydrophobicContact CE1-CE1 4.49Å; Y681-F706 HydrophobicContact CE1-CG 4.39Å; I702-F706 VanDerWaalsContact O-CB 3.31Å; I702-F706 WeakPolarHBondContact O-CB 3.5Å; I702-F706 PolarHBondContact O-N 3.39Å; F703-F706 PolarHBondContact O-N 3.03Å; F706-A709 PolarHBondContact O-N 2.55Å; F706-C710 WeakPolarHBondContact CE1-SG 3.24Å; F706-C710 WeakPolarHBondContact O-CB 3.19Å; F706-C710 PolarHBondContact O-N 3.03Å; F706-C710 PolarHBondContact O-SG 2.8Å |
| 707 | R | 95.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 30.4 Ų | 30.4 | 22% | 0.215 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 179.3 | -173.4 | 179 | 82.2 | 155.3 | 4.1 | 111.5 | Q554 F703 E704 N705 C710 Y711 | Q554-R707 HydrophobicContact CG-CG 4.32Å; Q554-R707 VanDerWaalsContact NE2-NE 3.1Å; Q554-R707 PolarHBondContact OE1-O 3.08Å; F703-R707 HydrophobicContact CE2-CB 4.42Å; F703-R707 WeakPolarHBondContact O-CB 3.33Å; F703-R707 PolarHBondContact O-N 3.36Å; E704-R707 PolarHBondContact O-N 3.27Å; N705-R707 VanDerWaalsContact C-N 3.29Å; N705-R707 PolarHBondContact O-N 3.43Å; R707-C710 PolarHBondContact O-N 3.12Å; R707-Y711 WeakPolarHBondContact O-CB 3.2Å; R707-Y711 PolarHBondContact O-N 3.08Å |
| 708 | D | 96.4 | Very high | 95.1 | Very high | 57 Ų | 57 | 28.9 Ų | 28.9 | 31% | 0.305 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.7 | -41.1 | 174.6 | -77.5 | -10.9 | 0 | 0 | 0 | 112.5 | K479 E704 N705 Y711 R712 | K479-D708 HydrophobicContact CB-CB 4.3Å; E704-D708 WeakPolarHBondContact O-CB 3.35Å; E704-D708 PolarHBondContact O-N 3.01Å; N705-D708 PolarHBondContact O-N 2.98Å; D708-Y711 PolarHBondContact O-N 3.42Å; D708-R712 WeakPolarHBondContact O-CG 3.3Å; D708-R712 PolarHBondContact O-N 2.93Å; D708-R712 VanDerWaalsContact O-N 3.08Å |
| 709 | A | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.4 | -44.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | M475 N705 F706 R712 G713 | M475-A709 HydrophobicContact CB-CB 3.67Å; M475-A709 HydrophobicContact CG-CB 3.86Å; M475-A709 HydrophobicContact SD-CB 4.35Å; N705-A709 WeakPolarHBondContact O-CB 3.21Å; N705-A709 PolarHBondContact O-N 3.05Å; F706-A709 PolarHBondContact O-N 2.55Å; A709-R712 PolarHBondContact O-N 3.26Å; A709-G713 PolarHBondContact O-N 2.83Å |
| 710 | C | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.2 | -43.5 | 174.4 | -68.7 | 0 | 0 | 0 | 0 | 112 | I556 I661 F706 R707 R712 G713 I714 | I556-C710 HydrophobicContact CG1-CB 3.77Å; I661-C710 HydrophobicContact CD1-CB 4.37Å; F706-C710 WeakPolarHBondContact CE1-SG 3.24Å; F706-C710 WeakPolarHBondContact O-CB 3.19Å; F706-C710 PolarHBondContact O-N 3.03Å; F706-C710 PolarHBondContact O-SG 2.8Å; R707-C710 PolarHBondContact O-N 3.12Å; C710-R712 VanDerWaalsContact C-N 3.32Å; C710-R712 PolarHBondContact O-N 3.22Å; C710-G713 PolarHBondContact O-N 3.18Å; C710-I714 HydrophobicContact CB-CD1 4.49Å; C710-I714 WeakPolarHBondContact O-CB 3.28Å; C710-I714 VanDerWaalsContact O-CG1 3.24Å; C710-I714 WeakPolarHBondContact O-CG1 3.34Å; C710-I714 PolarHBondContact O-N 3.18Å |
| 711 | Y | 96.5 | Very high | 95.8 | Very high | 38 Ų | 38 | 23.3 Ų | 23.3 | 15% | 0.149 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -54.4 | -50.9 | 176.6 | 179.3 | -76.5 | 0 | 0 | 0 | 110.6 | K310 L529 R707 D708 C715 | K310-Y711 PolarHBondContact NZ-OH 3.09Å; L529-Y711 HydrophobicContact CB-CD2 4.28Å; L529-Y711 HydrophobicContact CB-CE2 4.07Å; L529-Y711 HydrophobicContact CD1-CD2 3.52Å; L529-Y711 HydrophobicContact CD1-CE2 3.97Å; L529-Y711 HydrophobicContact CD1-CG 3.91Å; L529-Y711 HydrophobicContact CG-CD2 3.89Å; L529-Y711 HydrophobicContact CG-CE2 3.79Å; R707-Y711 WeakPolarHBondContact O-CB 3.2Å; R707-Y711 PolarHBondContact O-N 3.08Å; D708-Y711 PolarHBondContact O-N 3.42Å; Y711-C715 WeakPolarHBondContact CE1-SG 3.12Å; Y711-C715 WeakPolarHBondContact O-CB 3.2Å; Y711-C715 PolarHBondContact O-N 3.42Å; Y711-C715 PolarHBondContact O-SG 3.25Å |
| 712 | R | 95.3 | Very high | 95.9 | Very high | 110 Ų | 110 | 20.6 Ų | 20.6 | 42% | 0.415 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -64.8 | -43.9 | 180 | -69.6 | 174.6 | -179.1 | 177.6 | -3.8 | 112.1 | K479 D708 A709 C710 K716 | K479-R712 WeakPolarHBondContact O-CD 3.33Å; K479-R712 PolarHBondContact O-NH1 2.94Å; D708-R712 WeakPolarHBondContact O-CG 3.3Å; D708-R712 PolarHBondContact O-N 2.93Å; D708-R712 VanDerWaalsContact O-N 3.08Å; A709-R712 PolarHBondContact O-N 3.26Å; C710-R712 VanDerWaalsContact C-N 3.32Å; C710-R712 PolarHBondContact O-N 3.22Å; R712-K716 WeakPolarHBondContact O-CB 2.98Å; R712-K716 PolarHBondContact O-N 2.98Å |
| 713 | G | 95.6 | Very high | 96 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.4 | -46.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A709 C710 K716 V717 | A709-G713 PolarHBondContact O-N 2.83Å; C710-G713 PolarHBondContact O-N 3.18Å; G713-K716 WeakPolarHBondContact O-CB 3.3Å; G713-K716 PolarHBondContact O-N 3.31Å; G713-V717 WeakPolarHBondContact O-CG2 3.27Å; G713-V717 PolarHBondContact O-N 2.8Å |
| 714 | I | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65 | -45.4 | 179.1 | -64.4 | 166.3 | 0 | 0 | 0 | 110.4 | L529 P555 I556 F664 L668 C710 K716 V717 M718 | L529-I714 HydrophobicContact CD1-CB 4.1Å; L529-I714 HydrophobicContact CD1-CD1 4.43Å; L529-I714 HydrophobicContact CD1-CG2 4.21Å; L529-I714 HydrophobicContact CD2-CB 4.31Å; L529-I714 HydrophobicContact CD2-CG2 3.67Å; P555-I714 HydrophobicContact CG-CD1 4Å; I556-I714 HydrophobicContact CD1-CD1 4.34Å; I556-I714 HydrophobicContact CG1-CD1 4.32Å; F664-I714 HydrophobicContact CB-CD1 4.32Å; L668-I714 HydrophobicContact CD1-CD1 4.12Å; L668-I714 HydrophobicContact CD1-CG2 4.39Å; C710-I714 HydrophobicContact CB-CD1 4.49Å; C710-I714 WeakPolarHBondContact O-CB 3.28Å; C710-I714 VanDerWaalsContact O-CG1 3.24Å; C710-I714 WeakPolarHBondContact O-CG1 3.34Å; C710-I714 PolarHBondContact O-N 3.18Å; I714-K716 PolarHBondContact O-N 3.2Å; I714-V717 PolarHBondContact O-N 3.13Å; I714-M718 HydrophobicContact CG2-CG 4.38Å; I714-M718 HydrophobicContact CG2-SD 3.83Å; I714-M718 WeakPolarHBondContact O-CG 3.5Å; I714-M718 PolarHBondContact O-N 3.02Å |
| 715 | C | 96.2 | Very high | 96 | Very high | 3 Ų | 3 | 15.6 Ų | 15.6 | 2% | 0.02 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -55.7 | -41.5 | 175.1 | -72.4 | 0 | 0 | 0 | 0 | 111.3 | P520 M527 Y711 A719 | P520-C715 HydrophobicContact CB-CB 4.28Å; M527-C715 HydrophobicContact CE-CB 4.02Å; M527-C715 WeakPolarHBondContact CE-O 3.46Å; Y711-C715 WeakPolarHBondContact CE1-SG 3.12Å; Y711-C715 WeakPolarHBondContact O-CB 3.2Å; Y711-C715 PolarHBondContact O-N 3.42Å; Y711-C715 PolarHBondContact O-SG 3.25Å; C715-A719 WeakPolarHBondContact O-CB 3.33Å; C715-A719 PolarHBondContact O-N 3.34Å |
| 716 | K | 95 | Very high | 96 | Very high | 19 Ų | 19 | 15.4 Ų | 15.4 | 8% | 0.083 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 179.1 | -177.3 | -178.7 | 169.6 | -168.2 | 0 | 112.6 | E481 P520 F521 R712 G713 I714 A719 K720 E954 S1048 | E481-K716 WeakPolarHBondContact OE1-CD 3.49Å; E481-K716 IonicContact OE1-NZ 3.72Å; E481-K716 PolarHBondContact OE1-NZ 2.83Å; P520-K716 HydrophobicContact CG-CB 4.25Å; P520-K716 HydrophobicContact CG-CG 4.41Å; F521-K716 HydrophobicContact CZ-CD 4.4Å; R712-K716 WeakPolarHBondContact O-CB 2.98Å; R712-K716 PolarHBondContact O-N 2.98Å; G713-K716 WeakPolarHBondContact O-CB 3.3Å; G713-K716 PolarHBondContact O-N 3.31Å; I714-K716 PolarHBondContact O-N 3.2Å; K716-A719 PolarHBondContact O-N 3.17Å; K716-K720 PolarHBondContact O-N 3.1Å; K716-E954 WeakPolarHBondContact CE-OE1 3.25Å; K716-E954 WeakPolarHBondContact CE-OE2 3.5Å; K716-E954 IonicContact NZ-OE1 3.24Å; K716-E954 IonicContact NZ-OE2 2.69Å; K716-E954 PolarHBondContact NZ-OE2 2.96Å; K716-S1048 PolarHBondContact NZ-OG 3.2Å |
| 717 | V | 96.6 | Very high | 96 | Very high | 8 Ų | 8 | 16 Ų | 16 | 5% | 0.048 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.2 | -44.7 | 176.6 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | Q508 I661 C665 G713 I714 A719 K720 T1050 | Q508-V717 HydrophobicContact CG-CG1 4.04Å; I661-V717 HydrophobicContact CG2-CG2 4.04Å; C665-V717 HydrophobicContact CB-CG1 3.98Å; G713-V717 WeakPolarHBondContact O-CG2 3.27Å; G713-V717 PolarHBondContact O-N 2.8Å; I714-V717 PolarHBondContact O-N 3.13Å; V717-A719 VanDerWaalsContact C-N 3.31Å; V717-A719 PolarHBondContact O-N 3.43Å; V717-K720 WeakPolarHBondContact O-CB 3.37Å; V717-K720 PolarHBondContact O-N 2.85Å; V717-T1050 HydrophobicContact CG2-CG2 4Å |
| 718 | M | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.8 | -42.9 | 175.9 | -68.5 | 166.2 | 44.8 | 0 | 0 | 112 | M527 L529 I714 K720 M721 I723 L726 Y729 | M527-M718 HydrophobicContact CE-CB 4.27Å; M527-M718 HydrophobicContact CE-CE 4.01Å; L529-M718 HydrophobicContact CD2-CE 4.34Å; L529-M718 HydrophobicContact CD2-SD 3.56Å; L529-M718 VanDerWaalsContact CD2-SD 3.56Å; I714-M718 HydrophobicContact CG2-CG 4.38Å; I714-M718 HydrophobicContact CG2-SD 3.83Å; I714-M718 WeakPolarHBondContact O-CG 3.5Å; I714-M718 PolarHBondContact O-N 3.02Å; M718-K720 PolarHBondContact O-N 3.13Å; M718-M721 PolarHBondContact O-N 2.75Å; M718-I723 CarbonylContact C-O 3.45Å; M718-I723 HydrophobicContact CB-CB 4.35Å; M718-I723 HydrophobicContact CE-CG2 4.36Å; M718-I723 PolarHBondContact O-N 3.2Å; M718-I723 VanDerWaalsContact O-N 3.09Å; M718-L726 HydrophobicContact CE-CB 4.42Å; M718-L726 HydrophobicContact SD-CB 4.21Å; M718-L726 HydrophobicContact SD-CD1 4.37Å; M718-Y729 HydrophobicContact CB-CD2 4.39Å; M718-Y729 HydrophobicContact CG-CD1 4.28Å; M718-Y729 HydrophobicContact CG-CD2 3.73Å; M718-Y729 HydrophobicContact CG-CE2 4.14Å; M718-Y729 HydrophobicContact CG-CG 3.81Å |
| 719 | A | 95.7 | Very high | 96 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 2% | 0.017 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.5 | -23 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P517 I518 P520 M527 C715 K716 V717 M721 G722 | P517-A719 CarbonylContact C-O 3.46Å; P517-A719 WeakPolarHBondContact CA-O 3.49Å; P517-A719 WeakPolarHBondContact CB-O 3.46Å; I518-A719 HydrophobicContact CB-CB 4.14Å; I518-A719 PolarHBondContact N-O 3.38Å; I518-A719 WeakPolarHBondContact O-CB 3.4Å; P520-A719 HydrophobicContact CB-CB 3.96Å; P520-A719 HydrophobicContact CG-CB 4.2Å; M527-A719 HydrophobicContact CE-CB 4.33Å; C715-A719 WeakPolarHBondContact O-CB 3.33Å; C715-A719 PolarHBondContact O-N 3.34Å; K716-A719 PolarHBondContact O-N 3.17Å; V717-A719 VanDerWaalsContact C-N 3.31Å; V717-A719 PolarHBondContact O-N 3.43Å; A719-M721 PolarHBondContact O-N 3.43Å; A719-G722 PolarHBondContact O-N 3Å |
| 720 | K | 96.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 11.4 Ų | 11.4 | 1% | 0.009 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -58 | -36.4 | 174.5 | -68.2 | 178.9 | 177.8 | 178.6 | 0 | 112.9 | F510 A511 K716 V717 M718 G722 E954 S1055 | F510-K720 HydrophobicContact CB-CB 4.02Å; A511-K720 WeakPolarHBondContact CB-O 3.45Å; A511-K720 PolarHBondContact N-O 3.09Å; K716-K720 PolarHBondContact O-N 3.1Å; V717-K720 WeakPolarHBondContact O-CB 3.37Å; V717-K720 PolarHBondContact O-N 2.85Å; M718-K720 PolarHBondContact O-N 3.13Å; K720-G722 VanDerWaalsContact C-N 3.35Å; K720-E954 WeakPolarHBondContact CE-OE1 3.38Å; K720-E954 HydrophobicContact CG-CG 4.29Å; K720-E954 IonicContact NZ-OE1 3.51Å; K720-E954 PolarHBondContact NZ-OE1 2.96Å; K720-E954 VanDerWaalsContact NZ-OE1 3.14Å; K720-S1055 PolarHBondContact NZ-OG 3.15Å |
| 721 | M | 95.2 | Very high | 95.7 | Very high | 22 Ų | 22 | 11.5 Ų | 11.5 | 11% | 0.108 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 1.3 | 176.2 | -172.2 | 52 | 78 | 0 | 0 | 112.2 | N239 M509 F510 A511 N515 M718 A719 I723 I734 | N239-M721 HydrophobicContact CB-CG 4.22Å; N239-M721 PolarHBondContact ND2-O 3.4Å; M509-M721 HydrophobicContact CB-CE 3.65Å; F510-M721 VanDerWaalsContact O-CE 3.3Å; F510-M721 WeakPolarHBondContact O-CE 3.37Å; A511-M721 HydrophobicContact CB-SD 4.08Å; N515-M721 PolarHBondContact ND2-O 3.2Å; M718-M721 PolarHBondContact O-N 2.75Å; A719-M721 PolarHBondContact O-N 3.43Å; M721-I723 VanDerWaalsContact C-N 3.35Å; M721-I723 HydrophobicContact CB-CD1 3.98Å; M721-I723 HydrophobicContact CB-CG1 4.07Å; M721-I723 HydrophobicContact CG-CD1 3.92Å; M721-I723 HydrophobicContact CG-CG1 4.11Å; M721-I734 HydrophobicContact CB-CG2 3.93Å; M721-I734 HydrophobicContact CE-CG2 3.96Å; M721-I734 HydrophobicContact CG-CG2 3.93Å |
| 722 | G | 94.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 9.7 Ų | 9.7 | 1% | 0.01 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 24 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N239 P516 I518 A719 K720 | N239-G722 PolarHBondContact ND2-O 3.48Å; P516-G722 WeakPolarHBondContact O-CA 3.39Å; I518-G722 VanDerWaalsContact CD1-C 3.46Å; I518-G722 WeakPolarHBondContact CD1-O 3.19Å; A719-G722 PolarHBondContact O-N 3Å; K720-G722 VanDerWaalsContact C-N 3.35Å |
| 723 | I | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 2% | 0.023 | C | C | . | . | trans | -89.9 | 127.3 | 179.9 | -58.6 | 172 | 0 | 0 | 0 | 109 | T240 M527 M718 M721 T725 Y729 I734 | T240-I723 HydrophobicContact CG2-CB 4.46Å; T240-I723 HydrophobicContact CG2-CD1 3.81Å; T240-I723 HydrophobicContact CG2-CG1 3.8Å; T240-I723 HydrophobicContact CG2-CG2 3.86Å; M527-I723 WeakPolarHBondContact CE-O 3.41Å; M718-I723 CarbonylContact C-O 3.45Å; M718-I723 HydrophobicContact CB-CB 4.35Å; M718-I723 HydrophobicContact CE-CG2 4.36Å; M718-I723 PolarHBondContact O-N 3.2Å; M718-I723 VanDerWaalsContact O-N 3.09Å; M721-I723 VanDerWaalsContact C-N 3.35Å; M721-I723 HydrophobicContact CB-CD1 3.98Å; M721-I723 HydrophobicContact CB-CG1 4.07Å; M721-I723 HydrophobicContact CG-CD1 3.92Å; M721-I723 HydrophobicContact CG-CG1 4.11Å; I723-T725 WeakPolarHBondContact CG2-O 3.49Å; I723-Y729 HydrophobicContact CD1-CD2 3.86Å; I723-I734 HydrophobicContact CD1-CD1 4.03Å; I723-I734 HydrophobicContact CD1-CG1 3.8Å | ||
| 724 | S | 95.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.025 | C | C | . | . | trans | -93.3 | -31.4 | -175.2 | -45.7 | 0 | 0 | 0 | 0 | 112.8 | D333 R352 N353 I518 M527 S528 | D333-S724 WeakPolarHBondContact OD2-CA 3.27Å; D333-S724 VanDerWaalsContact OD2-CB 3.22Å; D333-S724 WeakPolarHBondContact OD2-CB 3.41Å; D333-S724 PolarHBondContact OD2-N 3.41Å; D333-S724 PolarHBondContact OD2-OG 3.32Å; R352-S724 WeakPolarHBondContact CD-OG 3.4Å; N353-S724 PolarHBondContact ND2-OG 3.35Å; N353-S724 VanDerWaalsContact ND2-OG 3.17Å; I518-S724 VanDerWaalsContact CD1-OG 3.24Å; I518-S724 WeakPolarHBondContact CD1-OG 3.41Å; M527-S724 CarbonylContact C-O 2.88Å; M527-S724 VanDerWaalsContact CA-O 3.25Å; M527-S724 WeakPolarHBondContact CA-O 3.06Å; S528-S724 PolarHBondContact N-O 3.16Å | ||
| 725 | T | 94.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 5 Ų | 5 | 2% | 0.018 | 3% | 0.025 | C | C | . | . | B | Isolated β-bridge | trans | -119.2 | 136.8 | -174.5 | 77 | 0 | 0 | 0 | 0 | 113.2 | P331 S528 I723 H727 S728 Y729 | P331-T725 HydrophobicContact CG-CG2 4.26Å; S528-T725 WeakPolarHBondContact O-CA 3.19Å; I723-T725 WeakPolarHBondContact CG2-O 3.49Å; T725-H727 PolarHBondContact O-N 3Å; T725-S728 PolarHBondContact O-N 3.26Å; T725-S728 PolarHBondContact OG1-N 3.11Å; T725-S728 PolarHBondContact OG1-OG 3.27Å; T725-S728 VanDerWaalsContact OG1-OG 3.08Å; T725-Y729 PolarHBondContact O-N 2.81Å |
| 726 | L | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -61.9 | -31.1 | 172.2 | 177.7 | 61.3 | 0 | 0 | 0 | 110.5 | S528 L529 P555 L668 M718 S728 Y729 K730 | S528-L726 PolarHBondContact O-N 3.08Å; L529-L726 HydrophobicContact CB-CB 4.45Å; L529-L726 HydrophobicContact CB-CD2 4.24Å; L529-L726 HydrophobicContact CD2-CB 4Å; L529-L726 HydrophobicContact CD2-CD2 4.47Å; L529-L726 WeakPolarHBondContact O-CD2 3.41Å; P555-L726 HydrophobicContact CB-CD2 3.94Å; P555-L726 HydrophobicContact CG-CD2 3.58Å; L668-L726 HydrophobicContact CB-CD1 4.28Å; L668-L726 HydrophobicContact CD1-CD1 3.92Å; L668-L726 HydrophobicContact CD2-CD1 4.47Å; L668-L726 HydrophobicContact CG-CD1 4.43Å; M718-L726 HydrophobicContact CE-CB 4.42Å; M718-L726 HydrophobicContact SD-CB 4.21Å; M718-L726 HydrophobicContact SD-CD1 4.37Å; L726-S728 VanDerWaalsContact C-N 3.29Å; L726-S728 PolarHBondContact O-N 3.34Å; L726-Y729 HydrophobicContact CD1-CD1 4.06Å; L726-Y729 PolarHBondContact O-N 3.44Å; L726-K730 HydrophobicContact CD1-CG 4.03Å; L726-K730 HydrophobicContact CG-CG 4.1Å; L726-K730 WeakPolarHBondContact O-CG 3.21Å; L726-K730 PolarHBondContact O-N 2.96Å |
| 727 | H | 95.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 4 Ų | 4 | 5% | 0.051 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -54.7 | -44.7 | 179.3 | -163.5 | -171.3 | 0 | 0 | 0 | 112.3 | A326 C531 T725 | A326-H727 PolarHBondContact O-CE1 2.74Å; C531-H727 HydrophobicContact CB-CB 4.01Å; T725-H727 PolarHBondContact O-N 3Å |
| 728 | S | 95.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -81.5 | -22.3 | 175.7 | -44.5 | 0 | 0 | 0 | 0 | 113.8 | T240 P331 T725 L726 A732 | T240-S728 VanDerWaalsContact CG2-CB 3.44Å; P331-S728 WeakPolarHBondContact CD-OG 3.43Å; P331-S728 WeakPolarHBondContact O-CB 3.45Å; P331-S728 PolarHBondContact O-OG 3.06Å; T725-S728 PolarHBondContact O-N 3.26Å; T725-S728 PolarHBondContact OG1-N 3.11Å; T725-S728 PolarHBondContact OG1-OG 3.27Å; T725-S728 VanDerWaalsContact OG1-OG 3.08Å; L726-S728 VanDerWaalsContact C-N 3.29Å; L726-S728 PolarHBondContact O-N 3.34Å; S728-A732 WeakPolarHBondContact O-CB 3.47Å |
| 729 | Y | 96.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 4 Ų | 4 | 1% | 0.008 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -74.6 | -33.7 | 178 | -175.4 | -94.1 | 0 | 0 | 0 | 112.4 | C665 L668 M718 I723 T725 L726 G731 A732 I734 F735 | C665-Y729 HydrophobicContact CB-CE1 4.49Å; L668-Y729 HydrophobicContact CB-CD1 4.48Å; L668-Y729 HydrophobicContact CB-CE1 4.45Å; M718-Y729 HydrophobicContact CB-CD2 4.39Å; M718-Y729 HydrophobicContact CG-CD1 4.28Å; M718-Y729 HydrophobicContact CG-CD2 3.73Å; M718-Y729 HydrophobicContact CG-CE2 4.14Å; M718-Y729 HydrophobicContact CG-CG 3.81Å; I723-Y729 HydrophobicContact CD1-CD2 3.86Å; T725-Y729 PolarHBondContact O-N 2.81Å; L726-Y729 HydrophobicContact CD1-CD1 4.06Å; L726-Y729 PolarHBondContact O-N 3.44Å; Y729-G731 PolarHBondContact O-N 3.4Å; Y729-A732 VanDerWaalsContact O-CB 3.31Å; Y729-A732 WeakPolarHBondContact O-CB 3.08Å; Y729-A732 PolarHBondContact O-N 3.14Å; Y729-A732 VanDerWaalsContact O-N 3.08Å; Y729-I734 HydrophobicContact CD2-CG1 4.04Å; Y729-I734 HydrophobicContact CE2-CB 3.91Å; Y729-I734 HydrophobicContact CE2-CG1 3.87Å; Y729-F735 WeakPolarHBondContact OH-CE2 3.22Å; Y729-F735 WeakPolarHBondContact OH-CZ 3.32Å |
| 730 | K | 95 | Very high | 95.8 | Very high | 17 Ų | 17 | 3.9 Ų | 3.9 | 7% | 0.074 | 2% | 0.02 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 126.7 | 179.4 | -76.4 | -171.3 | -55.1 | 174.4 | 0 | 110.9 | C531 P532 L668 D673 L726 A732 | C531-K730 PolarHBondContact SG-NZ 3.12Å; C531-K730 VanDerWaalsContact SG-NZ 3.41Å; P532-K730 PolarHBondContact O-NZ 2.83Å; L668-K730 WeakPolarHBondContact O-CA 3.31Å; D673-K730 IonicContact OD1-NZ 3.35Å; D673-K730 PolarHBondContact OD1-NZ 3.23Å; L726-K730 HydrophobicContact CD1-CG 4.03Å; L726-K730 HydrophobicContact CG-CG 4.1Å; L726-K730 WeakPolarHBondContact O-CG 3.21Å; L726-K730 PolarHBondContact O-N 2.96Å; K730-A732 PolarHBondContact O-N 3.01Å; K730-A732 VanDerWaalsContact O-N 3.15Å |
| 731 | G | 94.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 4.2 Ų | 4.2 | 2% | 0.021 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 3.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L668 G669 Y729 Q733 | L668-G731 PolarHBondContact O-N 2.98Å; G669-G731 CarbonylContact O-C 3.54Å; G669-G731 VanDerWaalsContact O-C 3.26Å; G669-G731 WeakPolarHBondContact O-CA 3.38Å; G669-G731 PolarHBondContact O-N 3.5Å; Y729-G731 PolarHBondContact O-N 3.4Å; G731-Q733 VanDerWaalsContact C-N 3.29Å; G731-Q733 PolarHBondContact O-N 3.28Å |
| 732 | A | 94.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.05 | C | C | . | . | trans | -77.5 | -13.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G669 S728 Y729 K730 I734 | G669-A732 PolarHBondContact O-N 3.39Å; S728-A732 WeakPolarHBondContact O-CB 3.47Å; Y729-A732 VanDerWaalsContact O-CB 3.31Å; Y729-A732 WeakPolarHBondContact O-CB 3.08Å; Y729-A732 PolarHBondContact O-N 3.14Å; Y729-A732 VanDerWaalsContact O-N 3.08Å; K730-A732 PolarHBondContact O-N 3.01Å; K730-A732 VanDerWaalsContact O-N 3.15Å; A732-I734 HydrophobicContact CB-CD1 3.81Å; A732-I734 HydrophobicContact CB-CG1 3.96Å; A732-I734 PolarHBondContact O-N 3.02Å | ||
| 733 | Q | 96 | Very high | 96 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | 52.6 | 53.9 | 177.6 | -49.8 | 173.8 | -17.2 | 0 | 0 | 112.6 | R242 Q638 G669 F670 G731 F735 T750 T752 | R242-Q733 PolarHBondContact NH1-O 3.22Å; Q638-Q733 VanDerWaalsContact NE2-NE2 3.13Å; G669-Q733 WeakPolarHBondContact O-CA 3.31Å; G669-Q733 PolarHBondContact O-N 3.03Å; F670-Q733 HydrophobicContact CD1-CB 4.49Å; F670-Q733 HydrophobicContact CD1-CG 3.8Å; F670-Q733 HydrophobicContact CE1-CB 3.94Å; F670-Q733 HydrophobicContact CE1-CG 3.63Å; F670-Q733 HydrophobicContact CZ-CB 4.43Å; G731-Q733 VanDerWaalsContact C-N 3.29Å; G731-Q733 PolarHBondContact O-N 3.28Å; Q733-F735 PolarHBondContact O-N 3.12Å; Q733-T750 PolarHBondContact NE2-O 2.97Å; Q733-T750 PolarHBondContact OE1-O 3.43Å; Q733-T750 VanDerWaalsContact OE1-O 3.06Å; Q733-T752 PolarHBondContact OE1-OG1 3.1Å | ||
| 734 | I | 96.4 | Very high | 96.1 | Very high | 13 Ų | 13 | 14.6 Ų | 14.6 | 7% | 0.067 | 7% | 0.069 | C | C | . | . | trans | -77.1 | 51.6 | 179.4 | -47.7 | -59.7 | 0 | 0 | 0 | 110.7 | M509 M721 I723 Y729 A732 | M509-I734 HydrophobicContact CB-CG2 4.03Å; M509-I734 HydrophobicContact CE-CG2 4.38Å; M509-I734 PolarHBondContact N-O 3.13Å; M509-I734 VanDerWaalsContact N-O 3.16Å; M721-I734 HydrophobicContact CB-CG2 3.93Å; M721-I734 HydrophobicContact CE-CG2 3.96Å; M721-I734 HydrophobicContact CG-CG2 3.93Å; I723-I734 HydrophobicContact CD1-CD1 4.03Å; I723-I734 HydrophobicContact CD1-CG1 3.8Å; Y729-I734 HydrophobicContact CD2-CG1 4.04Å; Y729-I734 HydrophobicContact CE2-CB 3.91Å; Y729-I734 HydrophobicContact CE2-CG1 3.87Å; A732-I734 HydrophobicContact CB-CD1 3.81Å; A732-I734 HydrophobicContact CB-CG1 3.96Å; A732-I734 PolarHBondContact O-N 3.02Å | ||
| 735 | F | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 150.4 | -175.9 | -59.7 | -82.8 | 0 | 0 | 0 | 111.4 | F506 Q507 Q508 H662 C665 V666 F670 Y729 Q733 | F506-F735 HydrophobicContact CB-CB 4.25Å; F506-F735 HydrophobicContact CB-CD1 4.19Å; F506-F735 HydrophobicContact CB-CG 4.4Å; F506-F735 HydrophobicContact CD1-CB 4.04Å; Q507-F735 CarbonylContact O-C 3.53Å; Q507-F735 VanDerWaalsContact O-CA 3.23Å; Q507-F735 WeakPolarHBondContact O-CA 3.44Å; Q508-F735 HydrophobicContact CG-CD1 4.14Å; Q508-F735 HydrophobicContact CG-CE1 3.64Å; H662-F735 AromaticContact CE1-CE1 3.9Å; C665-F735 HydrophobicContact CB-CZ 4.04Å; V666-F735 HydrophobicContact CB-CE1 4.44Å; V666-F735 HydrophobicContact CB-CZ 4.19Å; V666-F735 HydrophobicContact CG2-CD1 3.96Å; V666-F735 HydrophobicContact CG2-CE1 3.43Å; V666-F735 VanDerWaalsContact CG2-CE1 3.43Å; V666-F735 HydrophobicContact CG2-CE2 4.29Å; V666-F735 HydrophobicContact CG2-CZ 3.63Å; F670-F735 HydrophobicContact CE2-CB 4.48Å; F670-F735 AromaticContact CE2-CD2 3.99Å; F670-F735 HydrophobicContact CE2-CD2 3.99Å; F670-F735 HydrophobicContact CE2-CG 4.42Å; F670-F735 HydrophobicContact CZ-CB 4.46Å; F670-F735 HydrophobicContact CZ-CD2 4.44Å; Y729-F735 WeakPolarHBondContact OH-CE2 3.22Å; Y729-F735 WeakPolarHBondContact OH-CZ 3.32Å; Q733-F735 PolarHBondContact O-N 3.12Å |
| 736 | E | 97 | Very high | 96.3 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.4 | 164.3 | -178.2 | 177.7 | 172.5 | 0 | 0 | 109.3 | Q507 M509 V753 R755 A1018 V1057 | Q507-E736 PolarHBondContact N-O 3.46Å; Q507-E736 PolarHBondContact O-N 2.84Å; M509-E736 HydrophobicContact CG-CB 4.44Å; E736-V753 HydrophobicContact CG-CB 4.3Å; E736-V753 HydrophobicContact CG-CG1 4.26Å; E736-R755 IonicContact OE1-CZ 2.78Å; E736-R755 IonicContact OE1-NE 2.71Å; E736-R755 PolarHBondContact OE1-NE 2.75Å; E736-R755 IonicContact OE1-NH2 3.73Å; E736-R755 PolarHBondContact OE1-NH2 3.01Å; E736-R755 IonicContact OE2-CZ 2.79Å; E736-R755 IonicContact OE2-NH2 3.84Å; E736-R755 PolarHBondContact OE2-NH2 2.9Å; E736-A1018 HydrophobicContact CG-CB 4.48Å; E736-A1018 WeakPolarHBondContact OE2-CB 3.49Å; E736-A1018 PolarHBondContact OE2-N 3.04Å; E736-V1057 HydrophobicContact CB-CG1 4.4Å; E736-V1057 HydrophobicContact CG-CG1 4.4Å; E736-V1057 WeakPolarHBondContact OE2-CG1 3.33Å |
| 737 | A | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 120.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y505 F506 L740 I745 T752 V753 S754 | Y505-A737 CarbonylContact O-C 3.26Å; Y505-A737 WeakPolarHBondContact O-CA 3.08Å; F506-A737 HydrophobicContact CD1-CB 4.2Å; F506-A737 HydrophobicContact CE1-CB 4.01Å; A737-L740 HydrophobicContact CB-CB 4.43Å; A737-L740 HydrophobicContact CB-CD1 4.09Å; A737-I745 HydrophobicContact CB-CD1 3.69Å; A737-T752 HydrophobicContact CB-CG2 4.13Å; A737-V753 PolarHBondContact N-O 2.9Å; A737-S754 VanDerWaalsContact O-CA 3.29Å; A737-S754 WeakPolarHBondContact O-CA 3.42Å; A737-S754 WeakPolarHBondContact O-CB 3.26Å; A737-S754 PolarHBondContact O-OG 3.5Å |
| 738 | V | 96.2 | Very high | 96.4 | Very high | 8 Ų | 8 | 22 Ų | 22 | 5% | 0.048 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -109.8 | 110.4 | 177.1 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | Y505 Q507 V1057 | Y505-V738 WeakPolarHBondContact CD1-O 3.48Å; Y505-V738 PolarHBondContact O-N 2.94Å; Q507-V738 HydrophobicContact CG-CG2 4.06Å; V738-V1057 HydrophobicContact CG2-CB 4.29Å; V738-V1057 HydrophobicContact CG2-CG1 3.92Å |
| 739 | G | 95.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.103 | C | C | . | . | S | Bend | trans | 95.3 | 18.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y505 G757 G758 A759 | Y505-G739 WeakPolarHBondContact CE1-O 3.25Å; G739-G757 CarbonylContact C-O 3.57Å; G739-G757 WeakPolarHBondContact CA-O 3.43Å; G739-G758 CarbonylContact O-C 3.57Å; G739-G758 VanDerWaalsContact O-CA 3.3Å; G739-G758 WeakPolarHBondContact O-CA 3.39Å; G739-A759 PolarHBondContact O-N 3.43Å |
| 740 | L | 96.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | B | Isolated β-bridge | trans | -105.3 | 141 | 174.9 | -71.8 | 177.6 | 0 | 0 | 0 | 111.7 | L502 Y505 F506 A737 I745 S754 G757 G758 A759 L764 | L502-L740 HydrophobicContact CD1-CD1 4.07Å; L502-L740 HydrophobicContact CD1-CD2 3.75Å; Y505-L740 HydrophobicContact CD1-CD2 3.66Å; Y505-L740 HydrophobicContact CD1-CG 3.8Å; Y505-L740 HydrophobicContact CD2-CD2 4.38Å; Y505-L740 HydrophobicContact CE1-CD2 4.09Å; Y505-L740 HydrophobicContact CG-CD1 4.43Å; Y505-L740 HydrophobicContact CG-CD2 3.81Å; Y505-L740 HydrophobicContact CG-CG 3.94Å; F506-L740 HydrophobicContact CE1-CD1 4.36Å; F506-L740 HydrophobicContact CE2-CD1 3.77Å; F506-L740 HydrophobicContact CZ-CD1 3.64Å; A737-L740 HydrophobicContact CB-CB 4.43Å; A737-L740 HydrophobicContact CB-CD1 4.09Å; L740-I745 HydrophobicContact CB-CD1 4.15Å; L740-I745 HydrophobicContact CB-CG1 4.37Å; L740-I745 HydrophobicContact CD1-CD1 4.27Å; L740-S754 PolarHBondContact O-OG 2.75Å; L740-G757 CarbonylContact O-C 3.48Å; L740-G757 VanDerWaalsContact O-C 3.31Å; L740-G757 VanDerWaalsContact O-CA 3.28Å; L740-G757 WeakPolarHBondContact O-CA 2.89Å; L740-G758 PolarHBondContact O-N 2.92Å; L740-A759 HydrophobicContact CD2-CB 4.35Å; L740-L764 HydrophobicContact CD2-CD1 4.44Å |
| 741 | G | 96.5 | Very high | 96.1 | Very high | 8 Ų | 8 | 26.8 Ų | 26.8 | 8% | 0.082 | 13% | 0.131 | C | C | . | . | trans | -67.1 | 147.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E743 V744 I745 A759 | G741-E743 VanDerWaalsContact C-N 3.27Å; G741-E743 PolarHBondContact O-N 2.98Å; G741-V744 PolarHBondContact O-N 3.39Å; G741-V744 VanDerWaalsContact O-N 3.1Å; G741-I745 PolarHBondContact O-N 2.85Å; G741-A759 PolarHBondContact N-O 3.37Å | ||
| 742 | K | 96.3 | Very high | 96.2 | Very high | 151 Ų | 151 | 27.2 Ų | 27.2 | 66% | 0.657 | 13% | 0.133 | S | C | * | . | H | α-helix | trans | -57.1 | -38.6 | -179 | -178 | 173.8 | 169 | -179.9 | 0 | 112.7 | V744 I745 E746 | K742-V744 VanDerWaalsContact C-N 3.33Å; K742-V744 PolarHBondContact O-N 3.06Å; K742-I745 PolarHBondContact O-N 2.76Å; K742-E746 WeakPolarHBondContact CE-OE1 3.14Å; K742-E746 HydrophobicContact CG-CG 4.18Å; K742-E746 IonicContact NZ-OE1 3.38Å; K742-E746 WeakPolarHBondContact O-CB 3.42Å; K742-E746 WeakPolarHBondContact O-CG 3.5Å; K742-E746 PolarHBondContact O-N 2.88Å |
| 743 | E | 96.5 | Very high | 96.2 | Very high | 90 Ų | 90 | 29.3 Ų | 29.3 | 42% | 0.421 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -60.1 | -38.6 | 177 | 52.7 | 167.1 | -137.5 | 0 | 0 | 113.4 | G741 K747 N760 F761 | G741-E743 VanDerWaalsContact C-N 3.27Å; G741-E743 PolarHBondContact O-N 2.98Å; E743-K747 WeakPolarHBondContact O-CB 3.3Å; E743-K747 PolarHBondContact O-N 3.18Å; E743-K747 VanDerWaalsContact O-N 3.13Å; E743-N760 VanDerWaalsContact OE1-CB 3.24Å; E743-N760 WeakPolarHBondContact OE1-CB 3.47Å; E743-F761 HydrophobicContact CB-CE2 4.4Å; E743-F761 HydrophobicContact CG-CD2 4.23Å; E743-F761 HydrophobicContact CG-CE2 4.41Å; E743-F761 WeakPolarHBondContact OE1-CD2 3.41Å; E743-F761 PolarHBondContact OE1-N 2.64Å |
| 744 | V | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.1 | -44.5 | 178.1 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | L631 G741 K742 C748 F749 F761 L764 | L631-V744 HydrophobicContact CD2-CG1 3.98Å; G741-V744 PolarHBondContact O-N 3.39Å; G741-V744 VanDerWaalsContact O-N 3.1Å; K742-V744 VanDerWaalsContact C-N 3.33Å; K742-V744 PolarHBondContact O-N 3.06Å; V744-C748 WeakPolarHBondContact O-CB 3.17Å; V744-C748 PolarHBondContact O-N 3.01Å; V744-F749 HydrophobicContact CG1-CD2 4.21Å; V744-F749 HydrophobicContact CG1-CE2 3.91Å; V744-F761 HydrophobicContact CB-CE2 4.37Å; V744-F761 HydrophobicContact CB-CZ 4.17Å; V744-F761 HydrophobicContact CG1-CE1 4.26Å; V744-F761 HydrophobicContact CG1-CZ 4.27Å; V744-F761 HydrophobicContact CG2-CD1 4.18Å; V744-F761 HydrophobicContact CG2-CD2 3.99Å; V744-F761 HydrophobicContact CG2-CE1 4.14Å; V744-F761 HydrophobicContact CG2-CE2 3.94Å; V744-F761 HydrophobicContact CG2-CG 4.11Å; V744-F761 HydrophobicContact CG2-CZ 4.01Å; V744-L764 HydrophobicContact CG1-CD1 4.15Å; V744-L764 HydrophobicContact CG2-CD1 4.15Å |
| 745 | I | 97.8 | Very high | 96 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 7% | 0.067 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.5 | -49 | 176.8 | -62.2 | -63.6 | 0 | 0 | 0 | 111 | A737 L740 G741 K742 K747 F749 T750 T752 | A737-I745 HydrophobicContact CB-CD1 3.69Å; L740-I745 HydrophobicContact CB-CD1 4.15Å; L740-I745 HydrophobicContact CB-CG1 4.37Å; L740-I745 HydrophobicContact CD1-CD1 4.27Å; G741-I745 PolarHBondContact O-N 2.85Å; K742-I745 PolarHBondContact O-N 2.76Å; I745-K747 VanDerWaalsContact C-N 3.34Å; I745-K747 PolarHBondContact O-N 3.24Å; I745-F749 HydrophobicContact CD1-CB 4.26Å; I745-F749 HydrophobicContact CD1-CD2 4.3Å; I745-F749 CarbonylContact O-C 3.42Å; I745-F749 VanDerWaalsContact O-CA 3.31Å; I745-F749 WeakPolarHBondContact O-CA 3.32Å; I745-F749 PolarHBondContact O-N 3.09Å; I745-T750 WeakPolarHBondContact O-CA 3.2Å; I745-T750 PolarHBondContact O-N 2.9Å; I745-T752 WeakPolarHBondContact CG2-O 3.47Å |
| 746 | E | 96.4 | Very high | 95.7 | Very high | 105 Ų | 105 | 38 Ų | 38 | 49% | 0.491 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.9 | -38.6 | -177.3 | -74.6 | 178.7 | 158.9 | 0 | 0 | 112.6 | K742 T750 | K742-E746 WeakPolarHBondContact CE-OE1 3.14Å; K742-E746 HydrophobicContact CG-CG 4.18Å; K742-E746 IonicContact NZ-OE1 3.38Å; K742-E746 WeakPolarHBondContact O-CB 3.42Å; K742-E746 WeakPolarHBondContact O-CG 3.5Å; K742-E746 PolarHBondContact O-N 2.88Å; E746-T750 PolarHBondContact O-OG1 2.82Å |
| 747 | K | 96.2 | Very high | 95.4 | Very high | 53 Ų | 53 | 39.2 Ų | 39.2 | 23% | 0.23 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -77.8 | -47.5 | -178.5 | -168.6 | 179.1 | -177.6 | 74.5 | 0 | 112.9 | L592 D596 E743 I745 F761 | L592-K747 HydrophobicContact CD2-CD 3.91Å; D596-K747 WeakPolarHBondContact OD1-CE 3.47Å; D596-K747 IonicContact OD1-NZ 3.69Å; D596-K747 PolarHBondContact OD1-NZ 3.48Å; D596-K747 IonicContact OD2-NZ 3.36Å; E743-K747 WeakPolarHBondContact O-CB 3.3Å; E743-K747 PolarHBondContact O-N 3.18Å; E743-K747 VanDerWaalsContact O-N 3.13Å; I745-K747 VanDerWaalsContact C-N 3.34Å; I745-K747 PolarHBondContact O-N 3.24Å; K747-F761 HydrophobicContact CB-CE2 4.37Å; K747-F761 HydrophobicContact CB-CZ 4.06Å; K747-F761 HydrophobicContact CD-CE2 4.05Å; K747-F761 HydrophobicContact CD-CZ 3.74Å; K747-F761 HydrophobicContact CG-CZ 4.43Å |
| 748 | C | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -106 | -28.6 | -168.4 | -62.7 | 0 | 0 | 0 | 0 | 114.1 | L631 G634 V744 | L631-C748 HydrophobicContact CD2-CB 4.32Å; G634-C748 CarbonylContact C-O 3.49Å; G634-C748 WeakPolarHBondContact CA-O 3.41Å; G634-C748 VanDerWaalsContact O-O 3.07Å; V744-C748 WeakPolarHBondContact O-CB 3.17Å; V744-C748 PolarHBondContact O-N 3.01Å |
| 749 | F | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -135.3 | 38.6 | -167.4 | -48 | -62.2 | 0 | 0 | 0 | 111.9 | L502 F506 L630 L631 F670 V744 I745 N751 T752 | L502-F749 HydrophobicContact CD2-CE2 4.35Å; L502-F749 HydrophobicContact CD2-CZ 4.07Å; F506-F749 HydrophobicContact CE1-CD2 4.42Å; F506-F749 HydrophobicContact CE1-CG 4.3Å; F506-F749 HydrophobicContact CE2-CE2 4.33Å; F506-F749 HydrophobicContact CE2-CZ 4.36Å; F506-F749 HydrophobicContact CZ-CD1 4.15Å; F506-F749 AromaticContact CZ-CD2 3.71Å; F506-F749 HydrophobicContact CZ-CD2 3.71Å; F506-F749 HydrophobicContact CZ-CE1 4.18Å; F506-F749 AromaticContact CZ-CE2 3.73Å; F506-F749 HydrophobicContact CZ-CE2 3.73Å; F506-F749 AromaticContact CZ-CG 3.91Å; F506-F749 HydrophobicContact CZ-CG 3.91Å; F506-F749 AromaticContact CZ-CZ 3.97Å; F506-F749 HydrophobicContact CZ-CZ 3.97Å; L630-F749 HydrophobicContact CD1-CE1 3.79Å; L630-F749 HydrophobicContact CD1-CZ 4.32Å; L630-F749 HydrophobicContact CD2-CZ 4.47Å; L630-F749 HydrophobicContact CG-CE1 3.84Å; L630-F749 HydrophobicContact CG-CZ 3.85Å; L631-F749 HydrophobicContact CD2-CE2 3.88Å; L631-F749 HydrophobicContact CD2-CZ 3.92Å; F670-F749 HydrophobicContact CB-CD1 4.49Å; F670-F749 HydrophobicContact CD1-CB 4.27Å; F670-F749 AromaticContact CD1-CD1 3.49Å; F670-F749 HydrophobicContact CD1-CD1 3.49Å; F670-F749 VanDerWaalsContact CD1-CD1 3.49Å; F670-F749 HydrophobicContact CD1-CE1 4.32Å; F670-F749 HydrophobicContact CD1-CG 4.31Å; F670-F749 HydrophobicContact CD2-CD1 4.2Å; F670-F749 HydrophobicContact CD2-CE1 4.39Å; F670-F749 HydrophobicContact CE1-CB 3.74Å; F670-F749 AromaticContact CE1-CD1 3.64Å; F670-F749 HydrophobicContact CE1-CD1 3.64Å; F670-F749 HydrophobicContact CE1-CG 4.05Å; F670-F749 HydrophobicContact CE2-CD1 4.33Å; F670-F749 AromaticContact CG-CD1 3.8Å; F670-F749 HydrophobicContact CG-CD1 3.8Å; F670-F749 HydrophobicContact CG-CE1 4.18Å; F670-F749 HydrophobicContact CZ-CB 4.31Å; F670-F749 HydrophobicContact CZ-CD1 4.07Å; F670-F749 HydrophobicContact CZ-CG 4.41Å; V744-F749 HydrophobicContact CG1-CD2 4.21Å; V744-F749 HydrophobicContact CG1-CE2 3.91Å; I745-F749 HydrophobicContact CD1-CB 4.26Å; I745-F749 HydrophobicContact CD1-CD2 4.3Å; I745-F749 CarbonylContact O-C 3.42Å; I745-F749 VanDerWaalsContact O-CA 3.31Å; I745-F749 WeakPolarHBondContact O-CA 3.32Å; I745-F749 PolarHBondContact O-N 3.09Å; F749-N751 PolarHBondContact O-N 3.38Å; F749-T752 WeakPolarHBondContact O-CB 3.26Å; F749-T752 PolarHBondContact O-N 3.12Å; F749-T752 PolarHBondContact O-OG1 2.84Å |
| 750 | T | 94.3 | Very high | 95.2 | Very high | 31 Ų | 31 | 44 Ų | 44 | 19% | 0.19 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | 135.8 | -170.3 | -46.2 | 0 | 0 | 0 | 0 | 111.2 | Q733 I745 E746 T752 | Q733-T750 PolarHBondContact NE2-O 2.97Å; Q733-T750 PolarHBondContact OE1-O 3.43Å; Q733-T750 VanDerWaalsContact OE1-O 3.06Å; I745-T750 WeakPolarHBondContact O-CA 3.2Å; I745-T750 PolarHBondContact O-N 2.9Å; E746-T750 PolarHBondContact O-OG1 2.82Å; T750-T752 VanDerWaalsContact C-N 3.3Å; T750-T752 PolarHBondContact O-N 3.47Å |
| 751 | N | 90.7 | Very high | 95.2 | Very high | 88 Ų | 88 | 44.3 Ų | 44.3 | 47% | 0.471 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | 4.8 | -175.4 | -51.1 | -44.9 | 0 | 0 | 0 | 116.5 | R242 F749 | R242-N751 VanDerWaalsContact CZ-O 3.24Å; R242-N751 PolarHBondContact NH1-O 2.86Å; F749-N751 PolarHBondContact O-N 3.38Å |
| 752 | T | 95.8 | Very high | 95.2 | Very high | 10 Ų | 10 | 49.8 Ų | 49.8 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | trans | -74.9 | 137.3 | 169.3 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | F506 F670 Q733 A737 I745 F749 T750 S754 | F506-T752 HydrophobicContact CE1-CG2 4.3Å; F670-T752 WeakPolarHBondContact CE1-OG1 3.37Å; F670-T752 HydrophobicContact CZ-CG2 4.34Å; Q733-T752 PolarHBondContact OE1-OG1 3.1Å; A737-T752 HydrophobicContact CB-CG2 4.13Å; I745-T752 WeakPolarHBondContact CG2-O 3.47Å; F749-T752 WeakPolarHBondContact O-CB 3.26Å; F749-T752 PolarHBondContact O-N 3.12Å; F749-T752 PolarHBondContact O-OG1 2.84Å; T750-T752 VanDerWaalsContact C-N 3.3Å; T750-T752 PolarHBondContact O-N 3.47Å; T752-S754 PolarHBondContact O-N 3.43Å | ||
| 753 | V | 94.3 | Very high | 95.2 | Very high | 45 Ų | 45 | 45.3 Ų | 45.3 | 27% | 0.273 | 25% | 0.25 | S | C | . | . | B | Isolated β-bridge | trans | -71.3 | 127.6 | 177.3 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | E736 A737 R755 A1018 | E736-V753 HydrophobicContact CG-CB 4.3Å; E736-V753 HydrophobicContact CG-CG1 4.26Å; A737-V753 PolarHBondContact N-O 2.9Å; V753-R755 HydrophobicContact CG1-CG 3.82Å; V753-A1018 HydrophobicContact CB-CB 4.25Å; V753-A1018 HydrophobicContact CG1-CB 3.79Å; V753-A1018 HydrophobicContact CG2-CB 4.28Å |
| 754 | S | 95.6 | Very high | 95.2 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 23% | 0.231 | 23% | 0.232 | C | C | . | . | trans | -142.9 | 95.7 | 168 | -158.9 | 0 | 0 | 0 | 0 | 111.3 | A737 L740 T752 | A737-S754 VanDerWaalsContact O-CA 3.29Å; A737-S754 WeakPolarHBondContact O-CA 3.42Å; A737-S754 WeakPolarHBondContact O-CB 3.26Å; A737-S754 PolarHBondContact O-OG 3.5Å; L740-S754 PolarHBondContact O-OG 2.75Å; T752-S754 PolarHBondContact O-N 3.43Å | ||
| 755 | R | 93.3 | Very high | 95.1 | Very high | 81 Ų | 81 | 41.5 Ų | 41.5 | 31% | 0.306 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -79.7 | -31.7 | -169.2 | -67 | 176.9 | -75.2 | 178 | 0.9 | 113.9 | E736 V753 E1065 | E736-R755 IonicContact OE1-CZ 2.78Å; E736-R755 IonicContact OE1-NE 2.71Å; E736-R755 PolarHBondContact OE1-NE 2.75Å; E736-R755 IonicContact OE1-NH2 3.73Å; E736-R755 PolarHBondContact OE1-NH2 3.01Å; E736-R755 IonicContact OE2-CZ 2.79Å; E736-R755 IonicContact OE2-NH2 3.84Å; E736-R755 PolarHBondContact OE2-NH2 2.9Å; V753-R755 HydrophobicContact CG1-CG 3.82Å; R755-E1065 IonicContact CZ-OE2 3.27Å; R755-E1065 IonicContact NH1-OE2 3.92Å; R755-E1065 PolarHBondContact NH1-OE2 3.02Å |
| 756 | L | 90.3 | Very high | 95 | Very high | 81 Ų | 81 | 46.8 Ų | 46.8 | 42% | 0.424 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -83.3 | -27.8 | -173.7 | -170.9 | 64.3 | 0 | 0 | 0 | 112.7 | I839 | L756-I839 HydrophobicContact CD2-CD1 4.19Å; L756-I839 HydrophobicContact CD2-CG1 4.37Å |
| 757 | G | 90.1 | Very high | 94.9 | Very high | 26 Ų | 26 | 42.9 Ų | 42.9 | 27% | 0.268 | 24% | 0.238 | S | C | . | . | trans | 66.1 | -175.5 | -158.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G739 L740 | G739-G757 CarbonylContact C-O 3.57Å; G739-G757 WeakPolarHBondContact CA-O 3.43Å; L740-G757 CarbonylContact O-C 3.48Å; L740-G757 VanDerWaalsContact O-C 3.31Å; L740-G757 VanDerWaalsContact O-CA 3.28Å; L740-G757 WeakPolarHBondContact O-CA 2.89Å | ||
| 758 | G | 93.8 | Very high | 94.9 | Very high | 50 Ų | 50 | 41.3 Ų | 41.3 | 52% | 0.515 | 23% | 0.233 | S | C | . | . | trans | 151.8 | -132.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | G739 L740 N760 | G739-G758 CarbonylContact O-C 3.57Å; G739-G758 VanDerWaalsContact O-CA 3.3Å; G739-G758 WeakPolarHBondContact O-CA 3.39Å; L740-G758 PolarHBondContact O-N 2.92Å; G758-N760 PolarHBondContact O-N 3.38Å | ||
| 759 | A | 95.6 | Very high | 94.8 | Very high | 11 Ų | 11 | 42.7 Ų | 42.7 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -51.9 | 123.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y505 G739 L740 G741 V763 L764 | Y505-A759 HydrophobicContact CE1-CB 4.12Å; G739-A759 PolarHBondContact O-N 3.43Å; L740-A759 HydrophobicContact CD2-CB 4.35Å; G741-A759 PolarHBondContact N-O 3.37Å; A759-V763 HydrophobicContact CB-CB 4.25Å; A759-V763 HydrophobicContact CB-CG1 3.95Å; A759-L764 HydrophobicContact CB-CD2 4.21Å; A759-L764 HydrophobicContact CB-CG 4.43Å |
| 760 | N | 96.4 | Very high | 94.7 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 25% | 0.251 | 26% | 0.257 | S | S | . | . | trans | -93.5 | 179.9 | 178.2 | 74.6 | -9.2 | 0 | 0 | 0 | 109.7 | E743 G758 E762 V763 L764 | E743-N760 VanDerWaalsContact OE1-CB 3.24Å; E743-N760 WeakPolarHBondContact OE1-CB 3.47Å; G758-N760 PolarHBondContact O-N 3.38Å; N760-E762 PolarHBondContact ND2-OE2 2.97Å; N760-E762 PolarHBondContact O-N 2.77Å; N760-E762 WeakPolarHBondContact OD1-CB 3.19Å; N760-E762 PolarHBondContact OD1-N 2.93Å; N760-V763 PolarHBondContact O-N 2.86Å; N760-V763 WeakPolarHBondContact OD1-CG2 3.27Å; N760-V763 PolarHBondContact OD1-N 2.98Å; N760-L764 WeakPolarHBondContact O-CG 3.34Å; N760-L764 PolarHBondContact O-N 2.94Å | ||
| 761 | F | 97.2 | Very high | 94.6 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.7 | -30 | 178.9 | -76.3 | -69.9 | 0 | 0 | 0 | 113.4 | L591 L592 L595 L631 E743 V744 K747 A765 | L591-F761 HydrophobicContact CD2-CB 4.43Å; L591-F761 HydrophobicContact CD2-CD1 3.98Å; L591-F761 WeakPolarHBondContact CD2-O 3.45Å; L591-F761 HydrophobicContact CG-CD1 4.49Å; L592-F761 HydrophobicContact CD1-CB 4.19Å; L592-F761 HydrophobicContact CD1-CD2 4.23Å; L592-F761 HydrophobicContact CD1-CG 4.34Å; L592-F761 HydrophobicContact CD2-CD1 4.35Å; L592-F761 HydrophobicContact CD2-CD2 3.73Å; L592-F761 HydrophobicContact CD2-CE1 4.45Å; L592-F761 HydrophobicContact CD2-CE2 3.85Å; L592-F761 HydrophobicContact CD2-CG 3.99Å; L592-F761 HydrophobicContact CD2-CZ 4.22Å; L592-F761 HydrophobicContact CG-CB 4.14Å; L592-F761 HydrophobicContact CG-CD1 4.48Å; L592-F761 HydrophobicContact CG-CD2 4.11Å; L592-F761 HydrophobicContact CG-CG 4Å; L595-F761 HydrophobicContact CD1-CD1 4.28Å; L595-F761 HydrophobicContact CD1-CE1 3.73Å; L631-F761 HydrophobicContact CD2-CE1 4.37Å; E743-F761 HydrophobicContact CB-CE2 4.4Å; E743-F761 HydrophobicContact CG-CD2 4.23Å; E743-F761 HydrophobicContact CG-CE2 4.41Å; E743-F761 WeakPolarHBondContact OE1-CD2 3.41Å; E743-F761 PolarHBondContact OE1-N 2.64Å; V744-F761 HydrophobicContact CB-CE2 4.37Å; V744-F761 HydrophobicContact CB-CZ 4.17Å; V744-F761 HydrophobicContact CG1-CE1 4.26Å; V744-F761 HydrophobicContact CG1-CZ 4.27Å; V744-F761 HydrophobicContact CG2-CD1 4.18Å; V744-F761 HydrophobicContact CG2-CD2 3.99Å; V744-F761 HydrophobicContact CG2-CE1 4.14Å; V744-F761 HydrophobicContact CG2-CE2 3.94Å; V744-F761 HydrophobicContact CG2-CG 4.11Å; V744-F761 HydrophobicContact CG2-CZ 4.01Å; K747-F761 HydrophobicContact CB-CE2 4.37Å; K747-F761 HydrophobicContact CB-CZ 4.06Å; K747-F761 HydrophobicContact CD-CE2 4.05Å; K747-F761 HydrophobicContact CD-CZ 3.74Å; K747-F761 HydrophobicContact CG-CZ 4.43Å; F761-A765 WeakPolarHBondContact O-CB 3.41Å; F761-A765 PolarHBondContact O-N 3.28Å |
| 762 | E | 96.5 | Very high | 94.8 | Very high | 123 Ų | 123 | 42.5 Ų | 42.5 | 58% | 0.575 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -67.1 | -48.4 | 180 | -60.9 | 176.5 | 157.1 | 0 | 0 | 111.4 | V588 N760 L764 A765 E766 | V588-E762 HydrophobicContact CG1-CB 3.8Å; V588-E762 HydrophobicContact CG1-CG 4.08Å; N760-E762 PolarHBondContact ND2-OE2 2.97Å; N760-E762 PolarHBondContact O-N 2.77Å; N760-E762 WeakPolarHBondContact OD1-CB 3.19Å; N760-E762 PolarHBondContact OD1-N 2.93Å; E762-L764 PolarHBondContact O-N 3.3Å; E762-A765 PolarHBondContact O-N 2.8Å; E762-E766 WeakPolarHBondContact O-CB 3.33Å; E762-E766 PolarHBondContact O-N 2.86Å |
| 763 | V | 95.6 | Very high | 94.7 | Very high | 57 Ų | 57 | 47.2 Ų | 47.2 | 35% | 0.345 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.6 | -47.3 | 176.8 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | A759 N760 A765 E766 E767 | A759-V763 HydrophobicContact CB-CB 4.25Å; A759-V763 HydrophobicContact CB-CG1 3.95Å; N760-V763 PolarHBondContact O-N 2.86Å; N760-V763 WeakPolarHBondContact OD1-CG2 3.27Å; N760-V763 PolarHBondContact OD1-N 2.98Å; V763-A765 VanDerWaalsContact C-N 3.29Å; V763-A765 PolarHBondContact O-N 3.46Å; V763-E766 PolarHBondContact O-N 3.22Å; V763-E767 WeakPolarHBondContact O-CG 3.34Å; V763-E767 PolarHBondContact O-N 3.39Å |
| 764 | L | 96.2 | Very high | 94.5 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -36.8 | 179.9 | -65.3 | 177.4 | 0 | 0 | 0 | 112.1 | L502 L631 L740 V744 A759 N760 E762 V768 | L502-L764 HydrophobicContact CD1-CD1 4.17Å; L502-L764 HydrophobicContact CD1-CD2 4.01Å; L631-L764 HydrophobicContact CD1-CD1 4.45Å; L740-L764 HydrophobicContact CD2-CD1 4.44Å; V744-L764 HydrophobicContact CG1-CD1 4.15Å; V744-L764 HydrophobicContact CG2-CD1 4.15Å; A759-L764 HydrophobicContact CB-CD2 4.21Å; A759-L764 HydrophobicContact CB-CG 4.43Å; N760-L764 WeakPolarHBondContact O-CG 3.34Å; N760-L764 PolarHBondContact O-N 2.94Å; E762-L764 PolarHBondContact O-N 3.3Å; L764-V768 WeakPolarHBondContact O-CG2 3.48Å; L764-V768 PolarHBondContact O-N 3.21Å |
| 765 | A | 96.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.8 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V588 L591 F761 E762 V763 V768 L769 | V588-A765 HydrophobicContact CB-CB 4.4Å; V588-A765 HydrophobicContact CG1-CB 4.06Å; L591-A765 HydrophobicContact CB-CB 3.95Å; L591-A765 HydrophobicContact CD2-CB 3.86Å; F761-A765 WeakPolarHBondContact O-CB 3.41Å; F761-A765 PolarHBondContact O-N 3.28Å; E762-A765 PolarHBondContact O-N 2.8Å; V763-A765 VanDerWaalsContact C-N 3.29Å; V763-A765 PolarHBondContact O-N 3.46Å; A765-V768 PolarHBondContact O-N 2.9Å; A765-L769 WeakPolarHBondContact O-CB 3.49Å; A765-L769 WeakPolarHBondContact O-CD1 3.37Å; A765-L769 WeakPolarHBondContact O-CG 3.39Å; A765-L769 PolarHBondContact O-N 3.5Å |
| 766 | E | 96 | Very high | 94.1 | Very high | 125 Ų | 125 | 48.7 Ų | 48.7 | 58% | 0.584 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.1 | -43.8 | 177.6 | -173.7 | 172.6 | -171.2 | 0 | 0 | 112.2 | V588 E762 V763 V768 L769 R770 | V588-E766 HydrophobicContact CG2-CB 4.43Å; E762-E766 WeakPolarHBondContact O-CB 3.33Å; E762-E766 PolarHBondContact O-N 2.86Å; V763-E766 PolarHBondContact O-N 3.22Å; E766-V768 VanDerWaalsContact C-N 3.34Å; E766-V768 PolarHBondContact O-N 3.15Å; E766-L769 PolarHBondContact O-N 2.98Å; E766-R770 WeakPolarHBondContact O-CB 3.44Å; E766-R770 PolarHBondContact O-N 3.14Å |
| 767 | E | 94.8 | Very high | 94 | Very high | 22 Ų | 22 | 47.1 Ų | 47.1 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 176.6 | -73.3 | 179.7 | 166.3 | 0 | 0 | 112.3 | Y505 V763 R770 R771 | Y505-E767 PolarHBondContact OH-OE1 2.97Å; V763-E767 WeakPolarHBondContact O-CG 3.34Å; V763-E767 PolarHBondContact O-N 3.39Å; E767-R770 PolarHBondContact O-N 3.15Å; E767-R771 PolarHBondContact O-N 2.81Å; E767-R771 VanDerWaalsContact O-N 3.16Å |
| 768 | V | 95.3 | Very high | 93.7 | Very high | 20 Ų | 20 | 55.1 Ų | 55.1 | 12% | 0.121 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 176.8 | 179 | 0 | 0 | 0 | 0 | 110.8 | V625 P626 L764 A765 E766 R770 R771 H772 | V625-V768 HydrophobicContact CG1-CB 4.44Å; V625-V768 HydrophobicContact CG1-CG1 3.42Å; V625-V768 VanDerWaalsContact CG1-CG1 3.42Å; P626-V768 HydrophobicContact CG-CG1 4.35Å; P626-V768 WeakPolarHBondContact O-CG1 3.32Å; L764-V768 WeakPolarHBondContact O-CG2 3.48Å; L764-V768 PolarHBondContact O-N 3.21Å; A765-V768 PolarHBondContact O-N 2.9Å; E766-V768 VanDerWaalsContact C-N 3.34Å; E766-V768 PolarHBondContact O-N 3.15Å; V768-R770 VanDerWaalsContact C-N 3.27Å; V768-R770 PolarHBondContact O-N 3.03Å; V768-R771 PolarHBondContact O-N 3.37Å; V768-H772 WeakPolarHBondContact O-CB 3.37Å; V768-H772 PolarHBondContact O-N 3.5Å |
| 769 | L | 96.1 | Very high | 93 | Very high | 30 Ų | 30 | 55 Ų | 55 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.4 | -34.9 | 178 | -74.1 | 164.9 | 0 | 0 | 0 | 112 | V588 V625 A765 E766 H772 F773 | V588-L769 HydrophobicContact CB-CD1 4.47Å; V588-L769 HydrophobicContact CG2-CD1 3.77Å; V625-L769 HydrophobicContact CG1-CD2 4.3Å; V625-L769 HydrophobicContact CG2-CD2 3.81Å; A765-L769 WeakPolarHBondContact O-CB 3.49Å; A765-L769 WeakPolarHBondContact O-CD1 3.37Å; A765-L769 WeakPolarHBondContact O-CG 3.39Å; A765-L769 PolarHBondContact O-N 3.5Å; E766-L769 PolarHBondContact O-N 2.98Å; L769-H772 PolarHBondContact O-N 3.11Å; L769-F773 WeakPolarHBondContact O-CB 3.48Å; L769-F773 PolarHBondContact O-N 2.75Å |
| 770 | R | 94.2 | Very high | 92.2 | Very high | 94 Ų | 94 | 60.5 Ų | 60.5 | 36% | 0.355 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 174.5 | -172.7 | 174.7 | 73.2 | 173.7 | 5.2 | 111.3 | E497 Y498 E766 E767 V768 H772 F773 Y774 | E497-R770 PolarHBondContact O-NH1 3.2Å; E497-R770 PolarHBondContact O-NH2 3.46Å; Y498-R770 PolarHBondContact O-NH2 3.37Å; E766-R770 WeakPolarHBondContact O-CB 3.44Å; E766-R770 PolarHBondContact O-N 3.14Å; E767-R770 PolarHBondContact O-N 3.15Å; V768-R770 VanDerWaalsContact C-N 3.27Å; V768-R770 PolarHBondContact O-N 3.03Å; R770-H772 VanDerWaalsContact C-N 3.33Å; R770-H772 PolarHBondContact O-N 2.87Å; R770-F773 WeakPolarHBondContact O-CB 3.27Å; R770-F773 PolarHBondContact O-N 3.32Å; R770-Y774 HydrophobicContact CG-CD2 4Å; R770-Y774 HydrophobicContact CG-CE2 3.57Å; R770-Y774 WeakPolarHBondContact O-CD2 3.37Å; R770-Y774 PolarHBondContact O-N 3.14Å |
| 771 | R | 92.8 | Very high | 91.5 | Very high | 21 Ų | 21 | 60.9 Ų | 60.9 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 173.8 | -70.7 | -175.9 | -69.1 | -91.7 | -1.1 | 112 | G499 E767 V768 Y774 A775 | G499-R771 PolarHBondContact O-NH1 2.85Å; E767-R771 PolarHBondContact O-N 2.81Å; E767-R771 VanDerWaalsContact O-N 3.16Å; V768-R771 PolarHBondContact O-N 3.37Å; R771-Y774 PolarHBondContact O-N 2.94Å; R771-A775 WeakPolarHBondContact O-CB 3.43Å; R771-A775 PolarHBondContact O-N 3.5Å |
| 772 | H | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 175.3 | -174 | -79.1 | 0 | 0 | 0 | 112.2 | L460 G621 S622 V768 L769 R770 Y774 A775 Y776 | L460-H772 HydrophobicContact CD1-CB 3.8Å; G621-H772 PolarHBondContact O-NE2 2.95Å; S622-H772 PolarHBondContact O-CE1 3.38Å; V768-H772 WeakPolarHBondContact O-CB 3.37Å; V768-H772 PolarHBondContact O-N 3.5Å; L769-H772 PolarHBondContact O-N 3.11Å; R770-H772 VanDerWaalsContact C-N 3.33Å; R770-H772 PolarHBondContact O-N 2.87Å; H772-Y774 PolarHBondContact O-N 2.71Å; H772-A775 PolarHBondContact O-N 3.18Å; H772-Y776 AromaticContact CD2-CD2 3.73Å; H772-Y776 AromaticContact CD2-CE2 3.81Å; H772-Y776 AromaticContact CE1-CD2 3.49Å; H772-Y776 VanDerWaalsContact CE1-CD2 3.49Å; H772-Y776 WeakPolarHBondContact CE1-CD2 3.43Å; H772-Y776 AromaticContact ND1-CD2 3.98Å; H772-Y776 AromaticContact NE2-CD2 3.35Å; H772-Y776 WeakPolarHBondContact NE2-CD2 3.38Å; H772-Y776 AromaticContact NE2-CE2 3.52Å; H772-Y776 WeakPolarHBondContact O-CD2 3.43Å; H772-Y776 PolarHBondContact O-N 3.17Å |
| 773 | F | 93.2 | Very high | 89.6 | Confident | 108 Ų | 108 | 63.2 Ų | 63.2 | 47% | 0.474 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 174.4 | 177.7 | -99.7 | 0 | 0 | 0 | 111.6 | L769 R770 A775 Y776 T777 | L769-F773 WeakPolarHBondContact O-CB 3.48Å; L769-F773 PolarHBondContact O-N 2.75Å; R770-F773 WeakPolarHBondContact O-CB 3.27Å; R770-F773 PolarHBondContact O-N 3.32Å; F773-A775 PolarHBondContact O-N 3.48Å; F773-Y776 PolarHBondContact O-N 3.35Å; F773-T777 VanDerWaalsContact O-CB 3.27Å; F773-T777 WeakPolarHBondContact O-CB 3.19Å; F773-T777 PolarHBondContact O-N 3.48Å |
| 774 | Y | 89.3 | Confident | 88.9 | Confident | 134 Ų | 134 | 64.7 Ų | 64.7 | 53% | 0.525 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 178.1 | -73.8 | -57.3 | 0 | 0 | 0 | 113.3 | R770 R771 H772 | R770-Y774 HydrophobicContact CG-CD2 4Å; R770-Y774 HydrophobicContact CG-CE2 3.57Å; R770-Y774 WeakPolarHBondContact O-CD2 3.37Å; R770-Y774 PolarHBondContact O-N 3.14Å; R771-Y774 PolarHBondContact O-N 2.94Å; H772-Y774 PolarHBondContact O-N 2.71Å |
| 775 | A | 90.5 | Very high | 88.3 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.3 | -37.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R456 T459 L460 R771 H772 F773 | R456-A775 WeakPolarHBondContact CD-O 3.41Å; R456-A775 WeakPolarHBondContact CG-O 3.47Å; R456-A775 PolarHBondContact NH1-O 3.26Å; R456-A775 VanDerWaalsContact NH1-O 3.14Å; R456-A775 WeakPolarHBondContact O-CB 3.34Å; T459-A775 HydrophobicContact CG2-CB 4.24Å; L460-A775 HydrophobicContact CB-CB 3.84Å; R771-A775 WeakPolarHBondContact O-CB 3.43Å; R771-A775 PolarHBondContact O-N 3.5Å; H772-A775 PolarHBondContact O-N 3.18Å; F773-A775 PolarHBondContact O-N 3.48Å |
| 776 | Y | 90.5 | Very high | 87.9 | Confident | 54 Ų | 54 | 66.7 Ų | 66.7 | 21% | 0.212 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -106.6 | 2.2 | -174 | -68.8 | -73.7 | 0 | 0 | 0 | 114.9 | R456 L460 G621 H772 F773 | R456-Y776 HydrophobicContact CB-CE1 4.36Å; L460-Y776 HydrophobicContact CD2-CE2 4.12Å; G621-Y776 VanDerWaalsContact CA-OH 3.29Å; G621-Y776 WeakPolarHBondContact CA-OH 3Å; G621-Y776 WeakPolarHBondContact O-CE2 3.19Å; H772-Y776 AromaticContact CD2-CD2 3.73Å; H772-Y776 AromaticContact CD2-CE2 3.81Å; H772-Y776 AromaticContact CE1-CD2 3.49Å; H772-Y776 VanDerWaalsContact CE1-CD2 3.49Å; H772-Y776 WeakPolarHBondContact CE1-CD2 3.43Å; H772-Y776 AromaticContact ND1-CD2 3.98Å; H772-Y776 AromaticContact NE2-CD2 3.35Å; H772-Y776 WeakPolarHBondContact NE2-CD2 3.38Å; H772-Y776 AromaticContact NE2-CE2 3.52Å; H772-Y776 WeakPolarHBondContact O-CD2 3.43Å; H772-Y776 PolarHBondContact O-N 3.17Å; F773-Y776 PolarHBondContact O-N 3.35Å |
| 777 | T | 88.4 | Confident | 87.4 | Confident | 47 Ų | 47 | 65.7 Ų | 65.7 | 29% | 0.288 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -69.3 | 169.2 | 168.8 | -148.7 | 0 | 0 | 0 | 0 | 111.2 | R456 F773 R779 N783 | R456-T777 PolarHBondContact NH1-O 2.96Å; F773-T777 VanDerWaalsContact O-CB 3.27Å; F773-T777 WeakPolarHBondContact O-CB 3.19Å; F773-T777 PolarHBondContact O-N 3.48Å; T777-R779 PolarHBondContact O-N 2.86Å; T777-N783 WeakPolarHBondContact CG2-ND2 3.42Å |
| 778 | R | 83.9 | Confident | 87.1 | Confident | 195 Ų | 195 | 65.2 Ų | 65.2 | 74% | 0.736 | 32% | 0.321 | S | S | * | . | trans | -66.5 | 130.8 | 177.1 | -166.3 | 174.9 | -176.7 | 177.6 | 1 | 109.7 | E780 N783 | R778-E780 VanDerWaalsContact CD-OE1 3.3Å; R778-E780 WeakPolarHBondContact CD-OE1 3.41Å; R778-E780 HydrophobicContact CG-CG 4.36Å; R778-E780 IonicContact CZ-OE1 2.73Å; R778-E780 IonicContact NE-OE1 3.55Å; R778-E780 PolarHBondContact NE-OE1 2.89Å; R778-E780 IonicContact NH1-OE1 3.63Å; R778-E780 PolarHBondContact O-N 3.24Å; R778-N783 PolarHBondContact O-ND2 2.82Å | ||
| 779 | R | 78.3 | Confident | 86.7 | Confident | 48 Ų | 48 | 66 Ų | 66 | 18% | 0.181 | 32% | 0.323 | C | S | . | . | trans | -77.3 | 105.5 | -179.1 | -74.9 | 178.1 | 169.2 | -125.3 | -1.7 | 110.5 | H453 D454 T777 N783 L784 | H453-R779 VanDerWaalsContact O-CZ 3.24Å; H453-R779 PolarHBondContact O-NH1 3.01Å; H453-R779 PolarHBondContact O-NH2 2.78Å; D454-R779 VanDerWaalsContact C-NH2 3.26Å; D454-R779 PolarHBondContact O-NH2 3.32Å; D454-R779 IonicContact OD1-NH1 3.11Å; T777-R779 PolarHBondContact O-N 2.86Å; R779-N783 WeakPolarHBondContact CA-OD1 3.38Å; R779-L784 HydrophobicContact CB-CD2 3.85Å | ||
| 780 | E | 79.4 | Confident | 86.5 | Confident | 126 Ų | 126 | 64.5 Ų | 64.5 | 59% | 0.589 | 32% | 0.316 | S | S | * | . | trans | -142.3 | 128.7 | 176.8 | -64 | -175.7 | -171.9 | 0 | 0 | 108.7 | R778 D782 N783 | R778-E780 VanDerWaalsContact CD-OE1 3.3Å; R778-E780 WeakPolarHBondContact CD-OE1 3.41Å; R778-E780 HydrophobicContact CG-CG 4.36Å; R778-E780 IonicContact CZ-OE1 2.73Å; R778-E780 IonicContact NE-OE1 3.55Å; R778-E780 PolarHBondContact NE-OE1 2.89Å; R778-E780 IonicContact NH1-OE1 3.63Å; R778-E780 PolarHBondContact O-N 3.24Å; E780-D782 PolarHBondContact O-N 3.49Å; E780-N783 PolarHBondContact N-OD1 3.01Å; E780-N783 PolarHBondContact O-OD1 2.96Å | ||
| 781 | G | 81.4 | Confident | 86.3 | Confident | 54 Ų | 54 | 62.6 Ų | 62.6 | 56% | 0.557 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | 68.5 | -127.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N783 L784 | G781-N783 VanDerWaalsContact C-N 3.29Å; G781-N783 PolarHBondContact O-N 3.12Å; G781-L784 WeakPolarHBondContact O-CB 3.33Å; G781-L784 WeakPolarHBondContact O-CD1 3.41Å; G781-L784 WeakPolarHBondContact O-CG 3.47Å; G781-L784 PolarHBondContact O-N 2.92Å |
| 782 | D | 75.8 | Confident | 86.3 | Confident | 139 Ų | 139 | 62.7 Ų | 62.7 | 74% | 0.743 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -68.9 | -22.1 | -167.4 | -62.7 | -21.7 | 0 | 0 | 0 | 114.1 | E780 L784 A785 I787 | E780-D782 PolarHBondContact O-N 3.49Å; D782-L784 PolarHBondContact O-N 2.77Å; D782-L784 VanDerWaalsContact O-N 3.17Å; D782-A785 PolarHBondContact O-N 2.9Å; D782-I787 HydrophobicContact CB-CD1 4.4Å |
| 783 | N | 78.6 | Confident | 86.1 | Confident | 41 Ų | 41 | 68.9 Ų | 68.9 | 22% | 0.219 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -75 | 1.2 | 178.7 | 72.4 | -3.2 | 0 | 0 | 0 | 113.9 | T777 R778 R779 E780 G781 A785 | T777-N783 WeakPolarHBondContact CG2-ND2 3.42Å; R778-N783 PolarHBondContact O-ND2 2.82Å; R779-N783 WeakPolarHBondContact CA-OD1 3.38Å; E780-N783 PolarHBondContact N-OD1 3.01Å; E780-N783 PolarHBondContact O-OD1 2.96Å; G781-N783 VanDerWaalsContact C-N 3.29Å; G781-N783 PolarHBondContact O-N 3.12Å; N783-A785 VanDerWaalsContact C-N 3.31Å |
| 784 | L | 80 | Confident | 86.1 | Confident | 88 Ų | 88 | 68.7 Ų | 68.7 | 46% | 0.461 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -71.5 | -27.7 | 168.3 | -72.8 | 167.6 | 0 | 0 | 0 | 112 | H453 R779 G781 D782 | H453-L784 WeakPolarHBondContact CB-O 3.27Å; R779-L784 HydrophobicContact CB-CD2 3.85Å; G781-L784 WeakPolarHBondContact O-CB 3.33Å; G781-L784 WeakPolarHBondContact O-CD1 3.41Å; G781-L784 WeakPolarHBondContact O-CG 3.47Å; G781-L784 PolarHBondContact O-N 2.92Å; D782-L784 PolarHBondContact O-N 2.77Å; D782-L784 VanDerWaalsContact O-N 3.17Å |
| 785 | A | 84.8 | Confident | 86.2 | Confident | 45 Ų | 45 | 66.9 Ų | 66.9 | 37% | 0.372 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -106.8 | 155.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D782 N783 I787 | D782-A785 PolarHBondContact O-N 2.9Å; N783-A785 VanDerWaalsContact C-N 3.31Å; A785-I787 PolarHBondContact O-N 3.15Å |
| 786 | L | 87.8 | Confident | 86.1 | Confident | 6 Ų | 6 | 75.2 Ų | 75.2 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | trans | -78.9 | 111.5 | 168.6 | -64.9 | 174 | 0 | 0 | 0 | 108.3 | I452 H453 L458 F468 | I452-L786 HydrophobicContact CD1-CD1 4.48Å; H453-L786 PolarHBondContact ND1-N 2.61Å; L458-L786 HydrophobicContact CB-CD1 4.24Å; L458-L786 HydrophobicContact CB-CD2 3.85Å; L458-L786 HydrophobicContact CD1-CD1 3.94Å; F468-L786 HydrophobicContact CE2-CD1 4.08Å | ||
| 787 | I | 84.9 | Confident | 86 | Confident | 105 Ų | 105 | 76 Ų | 76 | 54% | 0.538 | 39% | 0.39 | S | S | . | . | trans | -85.7 | 126.5 | -175.2 | -57.8 | 175.5 | 0 | 0 | 0 | 109.5 | T464 D782 A785 | T464-I787 WeakPolarHBondContact CG2-O 3.26Å; D782-I787 HydrophobicContact CB-CD1 4.4Å; A785-I787 PolarHBondContact O-N 3.15Å | ||
| 788 | S | 88.3 | Confident | 86.1 | Confident | 11 Ų | 11 | 74.1 Ų | 74.1 | 8% | 0.077 | 38% | 0.38 | C | S | . | . | trans | -84.4 | 116 | 168.5 | -75.8 | 0 | 0 | 0 | 0 | 110.1 | D466 G790 R795 | D466-S788 PolarHBondContact N-OG 3.36Å; D466-S788 VanDerWaalsContact N-OG 3.11Å; D466-S788 WeakPolarHBondContact OD1-CB 3.48Å; D466-S788 PolarHBondContact OD1-OG 3.07Å; S788-G790 PolarHBondContact O-N 3.16Å; S788-R795 WeakPolarHBondContact O-CD 3.12Å | ||
| 789 | E | 87.1 | Confident | 86.6 | Confident | 36 Ų | 36 | 65.3 Ų | 65.3 | 17% | 0.168 | 35% | 0.347 | C | S | . | . | trans | -75.7 | -8.5 | -179.4 | -60.6 | 174 | 156 | 0 | 0 | 113.2 | H462 Y498 G798 E799 | H462-E789 IonicContact CD2-OE2 3.72Å; H462-E789 VanDerWaalsContact CE1-CD 3.49Å; H462-E789 IonicContact CE1-OE1 4Å; H462-E789 PolarHBondContact CE1-OE1 3.21Å; H462-E789 IonicContact CE1-OE2 3.92Å; H462-E789 PolarHBondContact CE1-OE2 3.43Å; H462-E789 VanDerWaalsContact NE2-CD 3.3Å; H462-E789 IonicContact NE2-OE1 3.38Å; H462-E789 PolarHBondContact NE2-OE1 3.12Å; H462-E789 IonicContact NE2-OE2 2.9Å; H462-E789 PolarHBondContact NE2-OE2 3.23Å; Y498-E789 HydrophobicContact CD1-CB 4.22Å; Y498-E789 HydrophobicContact CD1-CG 3.84Å; Y498-E789 WeakPolarHBondContact CD1-OE1 3.44Å; Y498-E789 HydrophobicContact CE1-CG 4.37Å; Y498-E789 HydrophobicContact CG-CG 4.43Å; E789-G798 CarbonylContact O-C 3.55Å; E789-G798 WeakPolarHBondContact O-CA 3.17Å; E789-E799 PolarHBondContact O-N 3.3Å | ||
| 790 | G | 91.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | trans | 85.9 | 19.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S788 Y792 Y793 H801 | S788-G790 PolarHBondContact O-N 3.16Å; G790-Y792 VanDerWaalsContact C-N 3.25Å; G790-Y792 PolarHBondContact O-N 3.42Å; G790-Y792 VanDerWaalsContact O-N 3.14Å; G790-Y793 CarbonylContact C-O 3.57Å; G790-Y793 VanDerWaalsContact C-O 3.26Å; G790-Y793 WeakPolarHBondContact CA-O 3.25Å; G790-Y793 CarbonylContact O-C 3.56Å; G790-Y793 PolarHBondContact O-N 3.14Å; G790-H801 PolarHBondContact O-CE1 3.32Å; G790-H801 PolarHBondContact O-NE2 3.09Å | ||
| 791 | V | 91.7 | Very high | 88 | Confident | 53 Ų | 53 | 60.5 Ų | 60.5 | 32% | 0.321 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -54.1 | -37.6 | -179.9 | 178 | 0 | 0 | 0 | 0 | 113.5 | K1053 | V791-K1053 VanDerWaalsContact O-CE 3.26Å; V791-K1053 WeakPolarHBondContact O-CE 3.44Å; V791-K1053 PolarHBondContact O-NZ 2.9Å |
| 792 | Y | 91.7 | Very high | 88.5 | Confident | 23 Ų | 23 | 58.1 Ų | 58.1 | 9% | 0.09 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -88 | -32.4 | 179.8 | -61.4 | -83 | 0 | 0 | 0 | 113.3 | D466 I470 L471 E660 G790 W1049 K1053 | D466-Y792 HydrophobicContact CB-CD2 4.24Å; I470-Y792 HydrophobicContact CD1-CD2 4.35Å; I470-Y792 HydrophobicContact CD1-CG 4.37Å; L471-Y792 HydrophobicContact CD1-CE1 4.47Å; L471-Y792 HydrophobicContact CD1-CE2 4.01Å; L471-Y792 WeakPolarHBondContact CD1-OH 3.44Å; L471-Y792 HydrophobicContact CD2-CE1 4.07Å; E660-Y792 PolarHBondContact OE1-OH 2.7Å; E660-Y792 PolarHBondContact OE2-OH 3.11Å; G790-Y792 VanDerWaalsContact C-N 3.25Å; G790-Y792 PolarHBondContact O-N 3.42Å; G790-Y792 VanDerWaalsContact O-N 3.14Å; Y792-W1049 AromaticContact CD1-CD2 3.8Å; Y792-W1049 HydrophobicContact CD1-CD2 3.8Å; Y792-W1049 AromaticContact CD1-CE3 3.56Å; Y792-W1049 HydrophobicContact CD1-CE3 3.56Å; Y792-W1049 HydrophobicContact CD1-CG 4.32Å; Y792-W1049 HydrophobicContact CD1-CH2 4.4Å; Y792-W1049 AromaticContact CD1-CZ3 3.88Å; Y792-W1049 HydrophobicContact CD1-CZ3 3.88Å; Y792-W1049 HydrophobicContact CE1-CB 4.29Å; Y792-W1049 HydrophobicContact CE1-CD2 4.3Å; Y792-W1049 HydrophobicContact CE1-CE3 4.22Å; Y792-W1049 HydrophobicContact CE1-CG 4.37Å; Y792-K1053 HydrophobicContact CD1-CG 4.31Å; Y792-K1053 HydrophobicContact CE1-CG 4.09Å |
| 793 | Y | 90.5 | Very high | 89.3 | Confident | 130 Ų | 130 | 53 Ų | 53 | 51% | 0.51 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -140 | 133.6 | -178.7 | -60.5 | -66.2 | 0 | 0 | 0 | 109.5 | I470 G790 R795 W1049 | I470-Y793 HydrophobicContact CD1-CD2 3.85Å; I470-Y793 HydrophobicContact CD1-CE2 3.57Å; I470-Y793 HydrophobicContact CG1-CE2 4.44Å; G790-Y793 CarbonylContact C-O 3.57Å; G790-Y793 VanDerWaalsContact C-O 3.26Å; G790-Y793 WeakPolarHBondContact CA-O 3.25Å; G790-Y793 CarbonylContact O-C 3.56Å; G790-Y793 PolarHBondContact O-N 3.14Å; Y793-R795 PolarHBondContact O-N 3.39Å; Y793-W1049 HydrophobicContact CE1-CH2 4.05Å; Y793-W1049 HydrophobicContact CE1-CZ2 4.28Å; Y793-W1049 HydrophobicContact CE2-CZ2 4.38Å; Y793-W1049 AromaticContact CZ-CZ2 3.81Å; Y793-W1049 WeakPolarHBondContact OH-CZ2 3.3Å |
| 794 | W | 92.7 | Very high | 89.8 | Confident | 104 Ų | 104 | 52.9 Ų | 52.9 | 39% | 0.394 | 27% | 0.271 | S | S | . | . | trans | -51.2 | 130.4 | 175.7 | -179.4 | 87.4 | 0 | 0 | 0 | 111.5 | E796 P805 | W794-E796 HydrophobicContact CH2-CB 3.96Å; W794-E796 HydrophobicContact CZ3-CB 4.48Å; W794-P805 HydrophobicContact CD2-CG 4.02Å; W794-P805 HydrophobicContact CE3-CG 3.64Å; W794-P805 HydrophobicContact CH2-CG 3.97Å; W794-P805 HydrophobicContact CZ2-CG 4.31Å; W794-P805 HydrophobicContact CZ3-CG 3.63Å | ||
| 795 | R | 91.4 | Very high | 90.4 | Very high | 96 Ų | 96 | 51.7 Ų | 51.7 | 36% | 0.362 | 27% | 0.269 | S | S | . | . | trans | -129.2 | 145.7 | 172.3 | -69.3 | -178.2 | 179.9 | -132.4 | 3.4 | 109.1 | D466 S788 Y793 G797 G798 | D466-R795 IonicContact OD1-CZ 3.38Å; D466-R795 IonicContact OD1-NE 2.72Å; D466-R795 IonicContact OD1-NH2 2.75Å; D466-R795 PolarHBondContact OD1-NH2 3.2Å; D466-R795 IonicContact OD2-NE 2.74Å; D466-R795 IonicContact OD2-NH2 4Å; S788-R795 WeakPolarHBondContact O-CD 3.12Å; Y793-R795 PolarHBondContact O-N 3.39Å; R795-G797 PolarHBondContact O-N 3.42Å; R795-G798 PolarHBondContact O-N 3.12Å; R795-G798 VanDerWaalsContact O-N 3.15Å | ||
| 796 | E | 90 | Very high | 90.5 | Very high | 179 Ų | 179 | 55.9 Ų | 55.9 | 84% | 0.836 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 131.2 | 173.4 | -172.7 | 169.8 | -161.4 | 0 | 0 | 110.1 | W794 G798 | W794-E796 HydrophobicContact CH2-CB 3.96Å; W794-E796 HydrophobicContact CZ3-CB 4.48Å; E796-G798 PolarHBondContact O-N 2.9Å |
| 797 | G | 87.4 | Confident | 90.7 | Very high | 69 Ų | 69 | 55.6 Ų | 55.6 | 71% | 0.711 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 7.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y498 R795 | Y498-G797 PolarHBondContact OH-O 3.22Å; R795-G797 PolarHBondContact O-N 3.42Å |
| 798 | G | 90.9 | Very high | 91.1 | Very high | 8 Ų | 8 | 53.8 Ų | 53.8 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -98.1 | -165.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y498 E789 R795 E796 | Y498-G798 VanDerWaalsContact CZ-C 3.47Å; Y498-G798 WeakPolarHBondContact OH-CA 3.42Å; Y498-G798 PolarHBondContact OH-O 3.36Å; Y498-G798 VanDerWaalsContact OH-O 3.07Å; E789-G798 CarbonylContact O-C 3.55Å; E789-G798 WeakPolarHBondContact O-CA 3.17Å; R795-G798 PolarHBondContact O-N 3.12Å; R795-G798 VanDerWaalsContact O-N 3.15Å; E796-G798 PolarHBondContact O-N 2.9Å |
| 799 | E | 93.4 | Very high | 91.4 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -46.3 | 143.8 | 174 | -174.2 | 58.1 | -84 | 0 | 0 | 111.1 | A490 S496 Y498 E789 H801 | A490-E799 HydrophobicContact CB-CG 4.29Å; S496-E799 VanDerWaalsContact CB-OE2 3.25Å; S496-E799 WeakPolarHBondContact CB-OE2 3.36Å; S496-E799 PolarHBondContact OG-OE2 3.03Å; Y498-E799 HydrophobicContact CD2-CB 4.28Å; Y498-E799 VanDerWaalsContact CE2-CA 3.49Å; Y498-E799 HydrophobicContact CE2-CB 4.42Å; E789-E799 PolarHBondContact O-N 3.3Å; E799-H801 PolarHBondContact O-CD2 2.9Å; E799-H801 VanDerWaalsContact O-CD2 3.23Å |
| 800 | K | 93.5 | Very high | 91.7 | Very high | 72 Ų | 72 | 57.3 Ų | 57.3 | 31% | 0.313 | 29% | 0.293 | S | S | . | . | trans | -77 | 132.9 | 179.9 | -60.6 | -56.5 | -174.4 | -170.2 | 0 | 109.8 | A490 A491 W836 C837 | A490-K800 CarbonylContact C-O 3.42Å; A490-K800 WeakPolarHBondContact CA-O 3.42Å; A491-K800 PolarHBondContact N-O 3.43Å; K800-W836 HydrophobicContact CB-CB 3.96Å; K800-W836 HydrophobicContact CG-CB 3.92Å; K800-W836 HydrophobicContact CG-CG 4.33Å; K800-C837 PolarHBondContact O-SG 2.94Å | ||
| 801 | H | 94.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -117.2 | 149.3 | 173.9 | -71.1 | -108.6 | 0 | 0 | 0 | 111.3 | D489 G790 E799 N803 S833 | D489-H801 VanDerWaalsContact CG-ND1 3.32Å; D489-H801 CarbonylContact O-C 3.42Å; D489-H801 VanDerWaalsContact O-CA 3.22Å; D489-H801 WeakPolarHBondContact O-CA 3.16Å; D489-H801 IonicContact OD1-CE1 3.93Å; D489-H801 IonicContact OD1-CG 3.98Å; D489-H801 IonicContact OD1-ND1 3.02Å; D489-H801 PolarHBondContact OD1-ND1 3.44Å; D489-H801 IonicContact OD2-ND1 2.8Å; G790-H801 PolarHBondContact O-CE1 3.32Å; G790-H801 PolarHBondContact O-NE2 3.09Å; E799-H801 PolarHBondContact O-CD2 2.9Å; E799-H801 VanDerWaalsContact O-CD2 3.23Å; H801-N803 VanDerWaalsContact C-N 3.28Å; H801-N803 PolarHBondContact O-N 3.44Å; H801-S833 WeakPolarHBondContact O-CB 3.38Å |
| 802 | L | 92 | Very high | 92 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -63.5 | -36.7 | 168.2 | -65.2 | 170.4 | 0 | 0 | 0 | 111.1 | D489 N834 C837 T838 Q1086 R1088 | D489-L802 HydrophobicContact CB-CB 4.02Å; D489-L802 PolarHBondContact O-N 2.76Å; L802-N834 HydrophobicContact CD2-CB 4.46Å; L802-N834 WeakPolarHBondContact CD2-OD1 3.23Å; L802-C837 HydrophobicContact CD2-CB 3.95Å; L802-C837 HydrophobicContact CG-CB 4.07Å; L802-T838 HydrophobicContact CD1-CG2 3.94Å; L802-T838 HydrophobicContact CD2-CG2 3.85Å; L802-T838 HydrophobicContact CG-CG2 4.27Å; L802-Q1086 HydrophobicContact CD1-CB 3.78Å; L802-Q1086 HydrophobicContact CD1-CG 4Å; L802-R1088 PolarHBondContact O-NH1 3.25Å |
| 803 | N | 91.5 | Very high | 92.2 | Very high | 32 Ų | 32 | 60.2 Ų | 60.2 | 17% | 0.171 | 31% | 0.31 | C | S | . | . | trans | -98.7 | 90.1 | -178.9 | -57.6 | -63.2 | 0 | 0 | 0 | 111.7 | D489 H801 I808 | D489-N803 WeakPolarHBondContact CB-ND2 3.46Å; D489-N803 VanDerWaalsContact OD2-CB 3.26Å; D489-N803 WeakPolarHBondContact OD2-CB 3.46Å; D489-N803 PolarHBondContact OD2-N 2.93Å; D489-N803 PolarHBondContact OD2-ND2 3.43Å; H801-N803 VanDerWaalsContact C-N 3.28Å; H801-N803 PolarHBondContact O-N 3.44Å; N803-I808 HydrophobicContact CB-CD1 4.31Å | ||
| 804 | E | 90.5 | Very high | 92.4 | Very high | 39 Ų | 39 | 54.4 Ų | 54.4 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | trans | -93.8 | 144.3 | 173.5 | -63.6 | 175.9 | -168.8 | 0 | 0 | 111.3 | Q806 S807 I808 S833 | E804-Q806 VanDerWaalsContact C-N 3.27Å; E804-Q806 PolarHBondContact O-N 3.5Å; E804-S807 PolarHBondContact N-OG 2.86Å; E804-S807 PolarHBondContact O-N 2.69Å; E804-S807 PolarHBondContact O-OG 3.31Å; E804-I808 WeakPolarHBondContact O-CG1 3.4Å; E804-I808 PolarHBondContact O-N 2.81Å; E804-I808 VanDerWaalsContact O-N 3.09Å; E804-S833 PolarHBondContact OE1-OG 3.12Å | ||
| 805 | P | 91.9 | Very high | 92.3 | Very high | 63 Ų | 63 | 51.5 Ų | 51.5 | 41% | 0.409 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -53.2 | -41.7 | -179.3 | -28 | 34.7 | 0 | 0 | 0 | 113.7 | W794 S807 I808 A809 | W794-P805 HydrophobicContact CD2-CG 4.02Å; W794-P805 HydrophobicContact CE3-CG 3.64Å; W794-P805 HydrophobicContact CH2-CG 3.97Å; W794-P805 HydrophobicContact CZ2-CG 4.31Å; W794-P805 HydrophobicContact CZ3-CG 3.63Å; P805-S807 PolarHBondContact O-N 3.48Å; P805-I808 PolarHBondContact O-N 3.25Å; P805-A809 WeakPolarHBondContact O-CB 3.42Å; P805-A809 PolarHBondContact O-N 2.86Å |
| 806 | Q | 88 | Confident | 92.5 | Very high | 132 Ų | 132 | 56.3 Ų | 56.3 | 62% | 0.617 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.4 | -44.7 | 178.5 | -172.9 | 177 | 3.4 | 0 | 0 | 111.5 | E804 I808 A809 K810 | E804-Q806 VanDerWaalsContact C-N 3.27Å; E804-Q806 PolarHBondContact O-N 3.5Å; Q806-I808 VanDerWaalsContact C-N 3.31Å; Q806-I808 PolarHBondContact O-N 2.89Å; Q806-A809 PolarHBondContact O-N 3.46Å; Q806-K810 VanDerWaalsContact O-CG 3.3Å; Q806-K810 WeakPolarHBondContact O-CG 3.36Å; Q806-K810 PolarHBondContact O-N 3.37Å |
| 807 | S | 90.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 177.3 | 77.9 | 0 | 0 | 0 | 0 | 111.6 | E804 P805 L811 F826 R1088 | E804-S807 PolarHBondContact N-OG 2.86Å; E804-S807 PolarHBondContact O-N 2.69Å; E804-S807 PolarHBondContact O-OG 3.31Å; P805-S807 PolarHBondContact O-N 3.48Å; S807-L811 WeakPolarHBondContact O-CB 3.44Å; S807-L811 PolarHBondContact O-N 3.43Å; S807-L811 VanDerWaalsContact O-N 3.08Å; S807-F826 VanDerWaalsContact O-CD2 3.23Å; S807-F826 WeakPolarHBondContact O-CD2 3.48Å; S807-R1088 PolarHBondContact OG-NH1 3.19Å; S807-R1088 PolarHBondContact OG-NH2 3.08Å |
| 808 | I | 93 | Very high | 93 | Very high | 67 Ų | 67 | 57.9 Ų | 57.9 | 34% | 0.344 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.9 | -45 | 179.2 | -63.3 | 169.8 | 0 | 0 | 0 | 110.6 | N803 E804 P805 Q806 K810 L811 Q812 | N803-I808 HydrophobicContact CB-CD1 4.31Å; E804-I808 WeakPolarHBondContact O-CG1 3.4Å; E804-I808 PolarHBondContact O-N 2.81Å; E804-I808 VanDerWaalsContact O-N 3.09Å; P805-I808 PolarHBondContact O-N 3.25Å; Q806-I808 VanDerWaalsContact C-N 3.31Å; Q806-I808 PolarHBondContact O-N 2.89Å; I808-K810 VanDerWaalsContact C-N 3.33Å; I808-K810 PolarHBondContact O-N 2.75Å; I808-L811 PolarHBondContact O-N 3.35Å; I808-Q812 HydrophobicContact CG2-CG 4.48Å; I808-Q812 WeakPolarHBondContact O-CG 3.48Å; I808-Q812 PolarHBondContact O-N 3.37Å |
| 809 | A | 94.7 | Very high | 93.1 | Very high | 55 Ų | 55 | 60.3 Ų | 60.3 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P805 Q806 Q812 A813 | P805-A809 WeakPolarHBondContact O-CB 3.42Å; P805-A809 PolarHBondContact O-N 2.86Å; Q806-A809 PolarHBondContact O-N 3.46Å; A809-Q812 PolarHBondContact O-N 3.05Å; A809-A813 WeakPolarHBondContact O-CB 3.24Å; A809-A813 PolarHBondContact O-N 3.3Å |
| 810 | K | 95.2 | Very high | 93 | Very high | 66 Ų | 66 | 63.9 Ų | 63.9 | 29% | 0.287 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 177.9 | -66.2 | -64.3 | -179.6 | 170.9 | 0 | 112.6 | Q806 I808 A813 A814 E825 F826 | Q806-K810 VanDerWaalsContact O-CG 3.3Å; Q806-K810 WeakPolarHBondContact O-CG 3.36Å; Q806-K810 PolarHBondContact O-N 3.37Å; I808-K810 VanDerWaalsContact C-N 3.33Å; I808-K810 PolarHBondContact O-N 2.75Å; K810-A813 PolarHBondContact O-N 2.95Å; K810-A814 WeakPolarHBondContact O-CB 3.35Å; K810-A814 PolarHBondContact O-N 2.93Å; K810-E825 HydrophobicContact CD-CB 4.31Å; K810-E825 VanDerWaalsContact CD-OE2 3.31Å; K810-E825 WeakPolarHBondContact CD-OE2 2.85Å; K810-E825 WeakPolarHBondContact CE-OE2 3.49Å; K810-E825 HydrophobicContact CG-CB 4.45Å; K810-E825 IonicContact NZ-OE2 3.79Å; K810-E825 PolarHBondContact NZ-OE2 3.05Å; K810-F826 HydrophobicContact CB-CB 3.89Å |
| 811 | L | 94.6 | Very high | 93.1 | Very high | 20 Ų | 20 | 66.7 Ų | 66.7 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 174 | -175.6 | 56 | 0 | 0 | 0 | 111.9 | S807 I808 A813 A814 A815 F826 F1109 | S807-L811 WeakPolarHBondContact O-CB 3.44Å; S807-L811 PolarHBondContact O-N 3.43Å; S807-L811 VanDerWaalsContact O-N 3.08Å; I808-L811 PolarHBondContact O-N 3.35Å; L811-A813 VanDerWaalsContact C-N 3.31Å; L811-A813 PolarHBondContact O-N 3.37Å; L811-A814 WeakPolarHBondContact O-CB 3.2Å; L811-A814 PolarHBondContact O-N 3.16Å; L811-A815 PolarHBondContact O-N 3.14Å; L811-A815 VanDerWaalsContact O-N 3.09Å; L811-F826 HydrophobicContact CB-CD2 3.78Å; L811-F826 HydrophobicContact CB-CE2 3.99Å; L811-F826 HydrophobicContact CB-CG 4.08Å; L811-F826 HydrophobicContact CB-CZ 4.48Å; L811-F826 HydrophobicContact CD1-CD1 3.88Å; L811-F826 HydrophobicContact CD1-CD2 4.4Å; L811-F826 HydrophobicContact CD1-CE1 3.73Å; L811-F826 HydrophobicContact CD1-CE2 4.26Å; L811-F826 HydrophobicContact CD1-CG 4.19Å; L811-F826 HydrophobicContact CD1-CZ 3.9Å; L811-F826 HydrophobicContact CD2-CD2 4.44Å; L811-F826 HydrophobicContact CD2-CE2 3.81Å; L811-F826 HydrophobicContact CD2-CZ 3.83Å; L811-F826 HydrophobicContact CG-CD2 4.46Å; L811-F826 HydrophobicContact CG-CE2 4.27Å; L811-F826 HydrophobicContact CG-CZ 4.3Å; L811-F1109 VanDerWaalsContact CD1-O 3.28Å; L811-F1109 WeakPolarHBondContact CD1-O 3.2Å; L811-F1109 HydrophobicContact CD2-CB 3.82Å; L811-F1109 WeakPolarHBondContact CD2-O 3.03Å; L811-F1109 VanDerWaalsContact CG-O 3.32Å; L811-F1109 WeakPolarHBondContact CG-O 3.42Å |
| 812 | Q | 94.8 | Very high | 93.1 | Very high | 88 Ų | 88 | 67.3 Ų | 67.3 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 177.6 | -71.1 | 179.1 | 0.7 | 0 | 0 | 112.3 | I808 A809 R816 | I808-Q812 HydrophobicContact CG2-CG 4.48Å; I808-Q812 WeakPolarHBondContact O-CG 3.48Å; I808-Q812 PolarHBondContact O-N 3.37Å; A809-Q812 PolarHBondContact O-N 3.05Å; Q812-R816 VanDerWaalsContact O-CB 3.28Å; Q812-R816 WeakPolarHBondContact O-CB 3.4Å; Q812-R816 VanDerWaalsContact O-CG 3.22Å; Q812-R816 WeakPolarHBondContact O-CG 3.3Å; Q812-R816 PolarHBondContact O-N 3.26Å |
| 813 | A | 94.9 | Very high | 93.2 | Very high | 29 Ų | 29 | 72 Ų | 72 | 24% | 0.24 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64 | -46.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A809 K810 L811 A815 R816 L817 | A809-A813 WeakPolarHBondContact O-CB 3.24Å; A809-A813 PolarHBondContact O-N 3.3Å; K810-A813 PolarHBondContact O-N 2.95Å; L811-A813 VanDerWaalsContact C-N 3.31Å; L811-A813 PolarHBondContact O-N 3.37Å; A813-A815 PolarHBondContact O-N 2.85Å; A813-R816 PolarHBondContact O-N 3.23Å; A813-L817 VanDerWaalsContact O-CB 3.31Å; A813-L817 WeakPolarHBondContact O-CB 3.49Å; A813-L817 WeakPolarHBondContact O-CG 3.42Å; A813-L817 PolarHBondContact O-N 3.46Å |
| 814 | A | 94.7 | Very high | 93.2 | Very high | 8 Ų | 8 | 76.7 Ų | 76.7 | 7% | 0.066 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -56.4 | -47.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K810 L811 N818 D819 | K810-A814 WeakPolarHBondContact O-CB 3.35Å; K810-A814 PolarHBondContact O-N 2.93Å; L811-A814 WeakPolarHBondContact O-CB 3.2Å; L811-A814 PolarHBondContact O-N 3.16Å; A814-N818 CarbonylContact O-C 3.3Å; A814-N818 WeakPolarHBondContact O-CA 3.47Å; A814-N818 PolarHBondContact O-N 2.45Å; A814-D819 PolarHBondContact O-N 2.86Å |
| 815 | A | 92 | Very high | 93.4 | Very high | 43 Ų | 43 | 77.9 Ų | 77.9 | 36% | 0.355 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -79.7 | -34.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L811 A813 S1110 | L811-A815 PolarHBondContact O-N 3.14Å; L811-A815 VanDerWaalsContact O-N 3.09Å; A813-A815 PolarHBondContact O-N 2.85Å; A815-S1110 WeakPolarHBondContact CB-O 3.16Å; A815-S1110 WeakPolarHBondContact CB-OXT 3.39Å |
| 816 | R | 94.6 | Very high | 93.5 | Very high | 198 Ų | 198 | 75 Ų | 75 | 75% | 0.747 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -70.7 | -37.4 | 177.9 | -72.2 | 177.6 | -177.8 | 174.3 | 3.5 | 112.3 | Q812 A813 | Q812-R816 VanDerWaalsContact O-CB 3.28Å; Q812-R816 WeakPolarHBondContact O-CB 3.4Å; Q812-R816 VanDerWaalsContact O-CG 3.22Å; Q812-R816 WeakPolarHBondContact O-CG 3.3Å; Q812-R816 PolarHBondContact O-N 3.26Å; A813-R816 PolarHBondContact O-N 3.23Å |
| 817 | L | 95.1 | Very high | 93.7 | Very high | 131 Ų | 131 | 69.5 Ų | 69.5 | 69% | 0.686 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -98.5 | -6.6 | -176.6 | -57.5 | 176.8 | 0 | 0 | 0 | 113 | A813 D819 | A813-L817 VanDerWaalsContact O-CB 3.31Å; A813-L817 WeakPolarHBondContact O-CB 3.49Å; A813-L817 WeakPolarHBondContact O-CG 3.42Å; A813-L817 PolarHBondContact O-N 3.46Å; L817-D819 HydrophobicContact CB-CB 4.2Å; L817-D819 PolarHBondContact O-N 3.38Å |
| 818 | N | 92.9 | Very high | 93.7 | Very high | 149 Ų | 149 | 76.1 Ų | 76.1 | 80% | 0.797 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 44.5 | -169.7 | -166.6 | 40.4 | 0 | 0 | 0 | 112.1 | A814 | A814-N818 CarbonylContact O-C 3.3Å; A814-N818 WeakPolarHBondContact O-CA 3.47Å; A814-N818 PolarHBondContact O-N 2.45Å |
| 819 | D | 93.5 | Very high | 93.6 | Very high | 60 Ų | 60 | 73.9 Ų | 73.9 | 32% | 0.321 | 38% | 0.381 | S | S | . | . | trans | -100.9 | 112.4 | -174.4 | 175.4 | 39.9 | 0 | 0 | 0 | 111.6 | A814 L817 K821 S822 Y823 | A814-D819 PolarHBondContact O-N 2.86Å; L817-D819 HydrophobicContact CB-CB 4.2Å; L817-D819 PolarHBondContact O-N 3.38Å; D819-K821 VanDerWaalsContact C-N 3.29Å; D819-K821 PolarHBondContact O-N 3.07Å; D819-K821 PolarHBondContact OD1-N 2.72Å; D819-S822 PolarHBondContact O-N 2.74Å; D819-S822 WeakPolarHBondContact OD2-CB 3.49Å; D819-S822 PolarHBondContact OD2-N 3.17Å; D819-S822 PolarHBondContact OD2-OG 3.01Å; D819-Y823 PolarHBondContact O-N 3.26Å | ||
| 820 | S | 91.6 | Very high | 93.5 | Very high | 85 Ų | 85 | 71.3 Ų | 71.3 | 59% | 0.594 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.6 | -33.7 | 179.1 | -56.4 | 0 | 0 | 0 | 0 | 112.6 | Y823 E824 | S820-Y823 WeakPolarHBondContact O-CB 3.36Å; S820-Y823 PolarHBondContact O-N 3.21Å; S820-E824 WeakPolarHBondContact O-CG 3.38Å; S820-E824 PolarHBondContact O-N 2.96Å |
| 821 | K | 94.5 | Very high | 93.2 | Very high | 132 Ų | 132 | 70.4 Ų | 70.4 | 57% | 0.574 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.8 | -45.8 | -179.7 | -174.9 | -178.8 | 176.5 | -176.5 | 0 | 111.4 | D819 Y823 E824 E825 | D819-K821 VanDerWaalsContact C-N 3.29Å; D819-K821 PolarHBondContact O-N 3.07Å; D819-K821 PolarHBondContact OD1-N 2.72Å; K821-Y823 PolarHBondContact O-N 3.03Å; K821-E824 PolarHBondContact O-N 3.42Å; K821-E824 VanDerWaalsContact O-N 3.15Å; K821-E825 WeakPolarHBondContact CE-OE1 3.21Å; K821-E825 WeakPolarHBondContact O-CG 3.36Å; K821-E825 PolarHBondContact O-N 3.23Å |
| 822 | S | 94.4 | Very high | 93 | Very high | 13 Ų | 13 | 72.2 Ų | 72.2 | 9% | 0.091 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.7 | -34 | 173.9 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | D819 F826 | D819-S822 PolarHBondContact O-N 2.74Å; D819-S822 WeakPolarHBondContact OD2-CB 3.49Å; D819-S822 PolarHBondContact OD2-N 3.17Å; D819-S822 PolarHBondContact OD2-OG 3.01Å; S822-F826 WeakPolarHBondContact O-CB 3.18Å; S822-F826 PolarHBondContact O-N 3.36Å |
| 823 | Y | 93.3 | Very high | 92.8 | Very high | 102 Ų | 102 | 68.1 Ų | 68.1 | 40% | 0.4 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.1 | -41 | 174.3 | -176.2 | -97.4 | 0 | 0 | 0 | 112.4 | D819 S820 K821 F826 A827 | D819-Y823 PolarHBondContact O-N 3.26Å; S820-Y823 WeakPolarHBondContact O-CB 3.36Å; S820-Y823 PolarHBondContact O-N 3.21Å; K821-Y823 PolarHBondContact O-N 3.03Å; Y823-F826 HydrophobicContact CD2-CD1 4.02Å; Y823-F826 AromaticContact CE2-CD1 3.99Å; Y823-F826 HydrophobicContact CE2-CD1 3.99Å; Y823-F826 HydrophobicContact CE2-CE1 4.1Å; Y823-F826 WeakPolarHBondContact O-CB 3.43Å; Y823-F826 PolarHBondContact O-N 2.85Å; Y823-A827 HydrophobicContact CE1-CB 4.5Å; Y823-A827 WeakPolarHBondContact O-CB 3.07Å; Y823-A827 PolarHBondContact O-N 3.14Å |
| 824 | E | 93.4 | Very high | 92.5 | Very high | 130 Ų | 130 | 67.2 Ų | 67.2 | 61% | 0.607 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.7 | -47.2 | 175.5 | -72.7 | 172.4 | -172.9 | 0 | 0 | 111.3 | S820 K821 F826 A827 E828 | S820-E824 WeakPolarHBondContact O-CG 3.38Å; S820-E824 PolarHBondContact O-N 2.96Å; K821-E824 PolarHBondContact O-N 3.42Å; K821-E824 VanDerWaalsContact O-N 3.15Å; E824-F826 VanDerWaalsContact C-N 3.32Å; E824-F826 PolarHBondContact O-N 3.43Å; E824-A827 PolarHBondContact O-N 3.04Å; E824-A827 VanDerWaalsContact O-N 3.11Å; E824-E828 WeakPolarHBondContact O-CB 3.46Å; E824-E828 PolarHBondContact O-N 2.93Å |
| 825 | E | 93.6 | Very high | 92.3 | Very high | 64 Ų | 64 | 73.8 Ų | 73.8 | 30% | 0.299 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 175.8 | -69.2 | 176.6 | -176.8 | 0 | 0 | 111.7 | K810 K821 A829 | K810-E825 HydrophobicContact CD-CB 4.31Å; K810-E825 VanDerWaalsContact CD-OE2 3.31Å; K810-E825 WeakPolarHBondContact CD-OE2 2.85Å; K810-E825 WeakPolarHBondContact CE-OE2 3.49Å; K810-E825 HydrophobicContact CG-CB 4.45Å; K810-E825 IonicContact NZ-OE2 3.79Å; K810-E825 PolarHBondContact NZ-OE2 3.05Å; K821-E825 WeakPolarHBondContact CE-OE1 3.21Å; K821-E825 WeakPolarHBondContact O-CG 3.36Å; K821-E825 PolarHBondContact O-N 3.23Å; E825-A829 WeakPolarHBondContact O-CB 3.22Å; E825-A829 PolarHBondContact O-N 2.77Å; E825-A829 VanDerWaalsContact O-N 3.08Å |
| 826 | F | 94.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 77.2 Ų | 77.2 | 1% | 0.013 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 171.7 | 157.9 | -106.8 | 0 | 0 | 0 | 112 | S807 K810 L811 S822 Y823 E824 E828 A829 S830 R1088 T1089 | S807-F826 VanDerWaalsContact O-CD2 3.23Å; S807-F826 WeakPolarHBondContact O-CD2 3.48Å; K810-F826 HydrophobicContact CB-CB 3.89Å; L811-F826 HydrophobicContact CB-CD2 3.78Å; L811-F826 HydrophobicContact CB-CE2 3.99Å; L811-F826 HydrophobicContact CB-CG 4.08Å; L811-F826 HydrophobicContact CB-CZ 4.48Å; L811-F826 HydrophobicContact CD1-CD1 3.88Å; L811-F826 HydrophobicContact CD1-CD2 4.4Å; L811-F826 HydrophobicContact CD1-CE1 3.73Å; L811-F826 HydrophobicContact CD1-CE2 4.26Å; L811-F826 HydrophobicContact CD1-CG 4.19Å; L811-F826 HydrophobicContact CD1-CZ 3.9Å; L811-F826 HydrophobicContact CD2-CD2 4.44Å; L811-F826 HydrophobicContact CD2-CE2 3.81Å; L811-F826 HydrophobicContact CD2-CZ 3.83Å; L811-F826 HydrophobicContact CG-CD2 4.46Å; L811-F826 HydrophobicContact CG-CE2 4.27Å; L811-F826 HydrophobicContact CG-CZ 4.3Å; S822-F826 WeakPolarHBondContact O-CB 3.18Å; S822-F826 PolarHBondContact O-N 3.36Å; Y823-F826 HydrophobicContact CD2-CD1 4.02Å; Y823-F826 AromaticContact CE2-CD1 3.99Å; Y823-F826 HydrophobicContact CE2-CD1 3.99Å; Y823-F826 HydrophobicContact CE2-CE1 4.1Å; Y823-F826 WeakPolarHBondContact O-CB 3.43Å; Y823-F826 PolarHBondContact O-N 2.85Å; E824-F826 VanDerWaalsContact C-N 3.32Å; E824-F826 PolarHBondContact O-N 3.43Å; F826-E828 VanDerWaalsContact C-N 3.33Å; F826-E828 PolarHBondContact O-N 3.23Å; F826-A829 PolarHBondContact O-N 3.17Å; F826-S830 VanDerWaalsContact O-CB 3.23Å; F826-S830 WeakPolarHBondContact O-CB 3.45Å; F826-S830 PolarHBondContact O-N 3.21Å; F826-R1088 WeakPolarHBondContact CE1-O 3.39Å; F826-R1088 HydrophobicContact CZ-CB 4.05Å; F826-R1088 WeakPolarHBondContact CZ-O 3.33Å; F826-T1089 HydrophobicContact CE1-CG2 4.23Å; F826-T1089 HydrophobicContact CZ-CG2 4.45Å |
| 827 | A | 91.5 | Very high | 92.2 | Very high | 17 Ų | 17 | 67.8 Ų | 67.8 | 14% | 0.14 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.1 | -41 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y823 E824 N831 T1089 | Y823-A827 HydrophobicContact CE1-CB 4.5Å; Y823-A827 WeakPolarHBondContact O-CB 3.07Å; Y823-A827 PolarHBondContact O-N 3.14Å; E824-A827 PolarHBondContact O-N 3.04Å; E824-A827 VanDerWaalsContact O-N 3.11Å; A827-N831 WeakPolarHBondContact O-CB 3.33Å; A827-N831 PolarHBondContact O-N 3.42Å; A827-N831 PolarHBondContact O-ND2 2.97Å; A827-T1089 HydrophobicContact CB-CG2 4.31Å |
| 828 | E | 91.6 | Very high | 92.1 | Very high | 138 Ų | 138 | 62 Ų | 62 | 65% | 0.645 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.5 | -50.8 | 175.4 | -173.6 | 173.9 | -167.1 | 0 | 0 | 111.9 | E824 F826 S830 N831 S832 | E824-E828 WeakPolarHBondContact O-CB 3.46Å; E824-E828 PolarHBondContact O-N 2.93Å; F826-E828 VanDerWaalsContact C-N 3.33Å; F826-E828 PolarHBondContact O-N 3.23Å; E828-S830 PolarHBondContact O-N 3.1Å; E828-N831 PolarHBondContact O-N 3.22Å; E828-S832 PolarHBondContact O-N 3.47Å; E828-S832 PolarHBondContact O-OG 3.26Å |
| 829 | A | 91.3 | Very high | 92.1 | Very high | 21 Ų | 21 | 56 Ų | 56 | 17% | 0.174 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | E825 F826 N831 S832 S833 | E825-A829 WeakPolarHBondContact O-CB 3.22Å; E825-A829 PolarHBondContact O-N 2.77Å; E825-A829 VanDerWaalsContact O-N 3.08Å; F826-A829 PolarHBondContact O-N 3.17Å; A829-N831 VanDerWaalsContact C-N 3.33Å; A829-N831 PolarHBondContact O-N 2.84Å; A829-S832 WeakPolarHBondContact O-CB 3.4Å; A829-S832 PolarHBondContact O-N 3.22Å; A829-S832 VanDerWaalsContact O-N 3.12Å; A829-S833 PolarHBondContact O-N 3.31Å; A829-S833 PolarHBondContact O-OG 3.32Å |
| 830 | S | 91.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.3 | -30.6 | -178.7 | -163.1 | 0 | 0 | 0 | 0 | 113 | F826 E828 N834 R1088 R1092 | F826-S830 VanDerWaalsContact O-CB 3.23Å; F826-S830 WeakPolarHBondContact O-CB 3.45Å; F826-S830 PolarHBondContact O-N 3.21Å; E828-S830 PolarHBondContact O-N 3.1Å; S830-N834 WeakPolarHBondContact O-CB 3.34Å; S830-N834 PolarHBondContact O-N 3.4Å; S830-N834 VanDerWaalsContact O-N 3.12Å; S830-R1088 PolarHBondContact OG-NH1 3.13Å; S830-R1092 PolarHBondContact O-NH2 3.38Å; S830-R1092 PolarHBondContact OG-NH2 3.14Å |
| 831 | N | 88.9 | Confident | 91.7 | Very high | 47 Ų | 47 | 50.5 Ų | 50.5 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69.9 | -35.8 | 172.3 | -72.2 | -23.1 | 0 | 0 | 0 | 111.4 | A827 E828 A829 N834 R835 T1089 | A827-N831 WeakPolarHBondContact O-CB 3.33Å; A827-N831 PolarHBondContact O-N 3.42Å; A827-N831 PolarHBondContact O-ND2 2.97Å; E828-N831 PolarHBondContact O-N 3.22Å; A829-N831 VanDerWaalsContact C-N 3.33Å; A829-N831 PolarHBondContact O-N 2.84Å; N831-N834 WeakPolarHBondContact O-CB 3.13Å; N831-N834 PolarHBondContact O-N 3.24Å; N831-R835 PolarHBondContact O-N 2.86Å; N831-T1089 PolarHBondContact OD1-OG1 2.78Å |
| 832 | S | 90 | Very high | 91.5 | Very high | 59 Ų | 59 | 49.5 Ų | 49.5 | 41% | 0.413 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65 | -51.8 | 174.8 | -58.9 | 0 | 0 | 0 | 0 | 111 | E828 A829 N834 R835 W836 | E828-S832 PolarHBondContact O-N 3.47Å; E828-S832 PolarHBondContact O-OG 3.26Å; A829-S832 WeakPolarHBondContact O-CB 3.4Å; A829-S832 PolarHBondContact O-N 3.22Å; A829-S832 VanDerWaalsContact O-N 3.12Å; S832-N834 VanDerWaalsContact C-N 3.26Å; S832-N834 PolarHBondContact O-N 3.33Å; S832-R835 VanDerWaalsContact O-CB 3.27Å; S832-R835 WeakPolarHBondContact O-CB 3.35Å; S832-R835 PolarHBondContact O-N 3.07Å; S832-W836 PolarHBondContact O-N 2.6Å |
| 833 | S | 90.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.1 | -37.8 | 176.7 | -47.1 | 0 | 0 | 0 | 0 | 112.2 | H801 E804 A829 R835 W836 C837 | H801-S833 WeakPolarHBondContact O-CB 3.38Å; E804-S833 PolarHBondContact OE1-OG 3.12Å; A829-S833 PolarHBondContact O-N 3.31Å; A829-S833 PolarHBondContact O-OG 3.32Å; S833-R835 VanDerWaalsContact C-N 3.3Å; S833-R835 PolarHBondContact O-N 2.86Å; S833-W836 PolarHBondContact O-N 3Å; S833-C837 WeakPolarHBondContact O-CB 3.43Å; S833-C837 PolarHBondContact O-N 2.81Å; S833-C837 PolarHBondContact O-SG 3.41Å |
| 834 | N | 88.9 | Confident | 91 | Very high | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.9 | -41.7 | 173.8 | -110.1 | 0.7 | 0 | 0 | 0 | 112.9 | L802 S830 N831 S832 W836 C837 T838 R840 G841 R1092 | L802-N834 HydrophobicContact CD2-CB 4.46Å; L802-N834 WeakPolarHBondContact CD2-OD1 3.23Å; S830-N834 WeakPolarHBondContact O-CB 3.34Å; S830-N834 PolarHBondContact O-N 3.4Å; S830-N834 VanDerWaalsContact O-N 3.12Å; N831-N834 WeakPolarHBondContact O-CB 3.13Å; N831-N834 PolarHBondContact O-N 3.24Å; S832-N834 VanDerWaalsContact C-N 3.26Å; S832-N834 PolarHBondContact O-N 3.33Å; N834-W836 PolarHBondContact O-N 3.48Å; N834-C837 PolarHBondContact O-N 3.08Å; N834-T838 PolarHBondContact O-N 2.88Å; N834-T838 VanDerWaalsContact O-N 3.08Å; N834-T838 PolarHBondContact O-OG1 3.08Å; N834-R840 PolarHBondContact OD1-NE 3.46Å; N834-R840 VanDerWaalsContact OD1-NE 3.14Å; N834-R840 PolarHBondContact OD1-NH2 3.38Å; N834-G841 WeakPolarHBondContact O-CA 3.46Å; N834-R1092 VanDerWaalsContact CG-CZ 3.42Å; N834-R1092 PolarHBondContact ND2-NE 3.42Å; N834-R1092 PolarHBondContact ND2-NH2 3.31Å; N834-R1092 PolarHBondContact OD1-NH1 2.88Å; N834-R1092 PolarHBondContact OD1-NH2 3Å |
| 835 | R | 90 | Very high | 90.5 | Very high | 146 Ų | 146 | 52 Ų | 52 | 55% | 0.551 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -57.4 | -43.2 | 179.3 | -170.6 | 175.4 | -175.4 | 170.2 | 3.4 | 110.2 | N831 S832 S833 Q842 | N831-R835 PolarHBondContact O-N 2.86Å; S832-R835 VanDerWaalsContact O-CB 3.27Å; S832-R835 WeakPolarHBondContact O-CB 3.35Å; S832-R835 PolarHBondContact O-N 3.07Å; S833-R835 VanDerWaalsContact C-N 3.3Å; S833-R835 PolarHBondContact O-N 2.86Å; R835-Q842 PolarHBondContact O-NE2 3.35Å |
| 836 | W | 90.9 | Very high | 90.3 | Very high | 115 Ų | 115 | 58.6 Ų | 58.6 | 44% | 0.436 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -76.1 | -34.6 | -179.3 | -56.6 | 111.3 | 0 | 0 | 0 | 113.4 | L495 E497 K800 S832 S833 N834 | L495-W836 WeakPolarHBondContact CB-O 3.45Å; E497-W836 VanDerWaalsContact OE1-CZ3 3.32Å; E497-W836 WeakPolarHBondContact OE1-CZ3 3.22Å; K800-W836 HydrophobicContact CB-CB 3.96Å; K800-W836 HydrophobicContact CG-CB 3.92Å; K800-W836 HydrophobicContact CG-CG 4.33Å; S832-W836 PolarHBondContact O-N 2.6Å; S833-W836 PolarHBondContact O-N 3Å; N834-W836 PolarHBondContact O-N 3.48Å |
| 837 | C | 93.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -99.2 | -21.4 | -167.4 | -57 | 0 | 0 | 0 | 0 | 115.7 | A491 L492 K800 L802 S833 N834 | A491-C837 HydrophobicContact CB-CB 4.29Å; L492-C837 PolarHBondContact N-O 3.35Å; K800-C837 PolarHBondContact O-SG 2.94Å; L802-C837 HydrophobicContact CD2-CB 3.95Å; L802-C837 HydrophobicContact CG-CB 4.07Å; S833-C837 WeakPolarHBondContact O-CB 3.43Å; S833-C837 PolarHBondContact O-N 2.81Å; S833-C837 PolarHBondContact O-SG 3.41Å; N834-C837 PolarHBondContact O-N 3.08Å |
| 838 | T | 93 | Very high | 89.6 | Confident | 10 Ų | 10 | 69.5 Ų | 69.5 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | trans | -136.8 | 154 | -159.9 | 64.4 | 0 | 0 | 0 | 0 | 114.7 | L802 N834 R840 G841 | L802-T838 HydrophobicContact CD1-CG2 3.94Å; L802-T838 HydrophobicContact CD2-CG2 3.85Å; L802-T838 HydrophobicContact CG-CG2 4.27Å; N834-T838 PolarHBondContact O-N 2.88Å; N834-T838 VanDerWaalsContact O-N 3.08Å; N834-T838 PolarHBondContact O-OG1 3.08Å; T838-R840 PolarHBondContact O-N 2.88Å; T838-R840 WeakPolarHBondContact OG1-CG 3.15Å; T838-G841 WeakPolarHBondContact O-CA 3.29Å; T838-G841 PolarHBondContact O-N 3.47Å; T838-G841 PolarHBondContact OG1-N 3.11Å | ||
| 839 | I | 92.7 | Very high | 89.6 | Confident | 22 Ų | 22 | 69.2 Ų | 69.2 | 11% | 0.113 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -57.7 | -47.8 | 176.4 | -59.7 | 176.9 | 0 | 0 | 0 | 111 | L492 L756 G841 Q842 P1058 E1060 L1061 | L492-I839 HydrophobicContact CD1-CD1 4.24Å; L492-I839 HydrophobicContact CD1-CG1 3.68Å; L756-I839 HydrophobicContact CD2-CD1 4.19Å; L756-I839 HydrophobicContact CD2-CG1 4.37Å; I839-G841 PolarHBondContact O-N 3.41Å; I839-G841 VanDerWaalsContact O-N 3.1Å; I839-Q842 WeakPolarHBondContact O-CB 3.5Å; I839-Q842 PolarHBondContact O-N 2.82Å; I839-P1058 HydrophobicContact CD1-CB 3.97Å; I839-P1058 HydrophobicContact CD1-CG 3.9Å; I839-E1060 HydrophobicContact CB-CG 4.44Å; I839-L1061 HydrophobicContact CD1-CD1 4.22Å; I839-L1061 HydrophobicContact CD1-CD2 4.26Å; I839-L1061 HydrophobicContact CD1-CG 4.05Å |
| 840 | R | 88.1 | Confident | 89.6 | Confident | 11 Ų | 11 | 76.5 Ų | 76.5 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -58.3 | -23.9 | 176.5 | 62.8 | -174.1 | 172.1 | -100.8 | 10.4 | 114 | N834 T838 Q842 L843 D1041 E1060 | N834-R840 PolarHBondContact OD1-NE 3.46Å; N834-R840 VanDerWaalsContact OD1-NE 3.14Å; N834-R840 PolarHBondContact OD1-NH2 3.38Å; T838-R840 PolarHBondContact O-N 2.88Å; T838-R840 WeakPolarHBondContact OG1-CG 3.15Å; R840-Q842 VanDerWaalsContact C-N 3.25Å; R840-L843 PolarHBondContact O-N 2.75Å; R840-D1041 IonicContact NH1-OD2 3.12Å; R840-D1041 IonicContact NH2-OD2 3.9Å; R840-E1060 HydrophobicContact CB-CG 4.14Å; R840-E1060 VanDerWaalsContact CB-OE1 3.25Å; R840-E1060 WeakPolarHBondContact CB-OE1 3.34Å; R840-E1060 WeakPolarHBondContact CD-OE1 3.33Å; R840-E1060 WeakPolarHBondContact CG-OE1 3.41Å; R840-E1060 IonicContact CZ-OE1 3.96Å; R840-E1060 PolarHBondContact N-OE1 3.43Å; R840-E1060 IonicContact NE-OE1 3.05Å; R840-E1060 IonicContact NH1-OE1 3.37Å; R840-E1060 PolarHBondContact NH1-OE1 2.72Å; R840-E1060 IonicContact NH1-OE2 3.84Å |
| 841 | G | 89.7 | Confident | 89.4 | Confident | 18 Ų | 18 | 82.1 Ų | 82.1 | 19% | 0.186 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -71.7 | -21.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N834 T838 I839 L843 | N834-G841 WeakPolarHBondContact O-CA 3.46Å; T838-G841 WeakPolarHBondContact O-CA 3.29Å; T838-G841 PolarHBondContact O-N 3.47Å; T838-G841 PolarHBondContact OG1-N 3.11Å; I839-G841 PolarHBondContact O-N 3.41Å; I839-G841 VanDerWaalsContact O-N 3.1Å; G841-L843 VanDerWaalsContact C-N 3.32Å |
| 842 | Q | 90.6 | Very high | 89.5 | Confident | 111 Ų | 111 | 85.4 Ų | 85.4 | 52% | 0.519 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -87.7 | -0.1 | 177.5 | -56.6 | -62.1 | -42.5 | 0 | 0 | 112.8 | L495 R835 I839 R840 | L495-Q842 HydrophobicContact CD2-CG 4.11Å; R835-Q842 PolarHBondContact O-NE2 3.35Å; I839-Q842 WeakPolarHBondContact O-CB 3.5Å; I839-Q842 PolarHBondContact O-N 2.82Å; R840-Q842 VanDerWaalsContact C-N 3.25Å |
| 843 | L | 89.5 | Confident | 89.6 | Confident | 99 Ų | 99 | 85.6 Ų | 85.6 | 52% | 0.518 | 43% | 0.426 | S | S | . | . | trans | -102.2 | 132.8 | -178.4 | -57.7 | 179.6 | 0 | 0 | 0 | 111.4 | R840 G841 | R840-L843 PolarHBondContact O-N 2.75Å; G841-L843 VanDerWaalsContact C-N 3.32Å | ||
| 844 | E | 86.9 | Confident | 89.4 | Confident | 173 Ų | 173 | 92.9 Ų | 92.9 | 81% | 0.808 | 46% | 0.464 | S | S | * | . | trans | -105.1 | 138 | 171.7 | -67 | -172.2 | 170.6 | 0 | 0 | 111.3 | ||||
| 845 | L | 84.2 | Confident | 89.6 | Confident | 27 Ų | 27 | 101.3 Ų | 101.3 | 14% | 0.141 | 50% | 0.503 | C | S | . | . | trans | -83.7 | 124.1 | 177.3 | -75.3 | 171.3 | 0 | 0 | 0 | 109.9 | Y847 K1091 S1094 N1095 F1098 | L845-Y847 HydrophobicContact CB-CD2 4.41Å; L845-Y847 HydrophobicContact CB-CE1 4.14Å; L845-Y847 HydrophobicContact CB-CE2 3.72Å; L845-Y847 HydrophobicContact CD1-CE1 4.35Å; L845-Y847 VanDerWaalsContact CD1-OH 3.32Å; L845-Y847 WeakPolarHBondContact CD1-OH 3.46Å; L845-Y847 VanDerWaalsContact O-CD2 3.27Å; L845-Y847 WeakPolarHBondContact O-CD2 3.23Å; L845-Y847 WeakPolarHBondContact O-CE2 3.33Å; L845-Y847 PolarHBondContact O-N 3.28Å; L845-K1091 HydrophobicContact CD1-CG 4.41Å; L845-S1094 WeakPolarHBondContact CD1-OG 3.48Å; L845-N1095 WeakPolarHBondContact CD2-OD1 3.47Å; L845-N1095 VanDerWaalsContact CG-OD1 3.31Å; L845-N1095 WeakPolarHBondContact CG-OD1 3.38Å; L845-F1098 HydrophobicContact CD2-CD2 3.89Å; L845-F1098 HydrophobicContact CD2-CE2 3.91Å | ||
| 846 | K | 87.6 | Confident | 89.7 | Confident | 202 Ų | 202 | 100.5 Ų | 100.5 | 88% | 0.878 | 51% | 0.506 | S | S | * | . | trans | -87.8 | 104 | 172.8 | -170.8 | 176.5 | -179.1 | 177.5 | 0 | 109.9 | ||||
| 847 | Y | 85 | Confident | 89.6 | Confident | 165 Ų | 165 | 99.2 Ų | 99.2 | 65% | 0.647 | 51% | 0.506 | S | S | * | . | trans | -82 | 153.6 | -178.7 | -61 | -79.8 | 0 | 0 | 0 | 112.7 | L845 | L845-Y847 HydrophobicContact CB-CD2 4.41Å; L845-Y847 HydrophobicContact CB-CE1 4.14Å; L845-Y847 HydrophobicContact CB-CE2 3.72Å; L845-Y847 HydrophobicContact CD1-CE1 4.35Å; L845-Y847 VanDerWaalsContact CD1-OH 3.32Å; L845-Y847 WeakPolarHBondContact CD1-OH 3.46Å; L845-Y847 VanDerWaalsContact O-CD2 3.27Å; L845-Y847 WeakPolarHBondContact O-CD2 3.23Å; L845-Y847 WeakPolarHBondContact O-CE2 3.33Å; L845-Y847 PolarHBondContact O-N 3.28Å | ||
| 848 | S | 87.8 | Confident | 89.4 | Confident | 83 Ų | 83 | 103.3 Ų | 103.3 | 58% | 0.58 | 53% | 0.525 | S | S | * | . | trans | -62.2 | 141 | 167.5 | 170.1 | 0 | 0 | 0 | 0 | 109.9 | K850 | S848-K850 PolarHBondContact O-N 2.92Å; S848-K850 PolarHBondContact OG-N 3.34Å; S848-K850 PolarHBondContact OG-O 2.95Å | ||
| 849 | P | 90.3 | Very high | 89.4 | Confident | 132 Ų | 132 | 110.5 Ų | 110.5 | 86% | 0.857 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -62.8 | -21.8 | 176 | 25.5 | -34.1 | 0 | 0 | 0 | 113.2 | ||
| 850 | K | 91 | Very high | 89.3 | Confident | 174 Ų | 174 | 112.9 Ų | 112.9 | 76% | 0.757 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -113.3 | 110.9 | 173.9 | -67 | -176 | -178.9 | -178.9 | 0 | 109.5 | S848 | S848-K850 PolarHBondContact O-N 2.92Å; S848-K850 PolarHBondContact OG-N 3.34Å; S848-K850 PolarHBondContact OG-O 2.95Å |
| 851 | P | 88.3 | Confident | 89.5 | Confident | 118 Ų | 118 | 115.4 Ų | 115.4 | 77% | 0.766 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -72 | 148.1 | 173.6 | 29.9 | -33.1 | 0 | 0 | 0 | 110.5 | ||
| 852 | L | 90.6 | Very high | 89.7 | Confident | 116 Ų | 116 | 117.4 Ų | 117.4 | 61% | 0.607 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 148.4 | 170 | -64.8 | 174.1 | 0 | 0 | 0 | 110 | ||
| 853 | P | 92 | Very high | 89.6 | Confident | 63 Ų | 63 | 114.8 Ų | 114.8 | 41% | 0.409 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -57 | 142.3 | 168.5 | -20.9 | 32.1 | 0 | 0 | 0 | 111.3 | E855 E856 | P853-E855 PolarHBondContact O-N 3.09Å; P853-E855 VanDerWaalsContact O-N 3.16Å; P853-E856 HydrophobicContact CB-CG 4.48Å; P853-E856 PolarHBondContact O-N 3.16Å; P853-E856 VanDerWaalsContact O-N 3.09Å |
| 854 | L | 87.6 | Confident | 89.7 | Confident | 156 Ų | 156 | 111.8 Ų | 111.8 | 82% | 0.817 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -60.7 | -26.2 | 178.5 | -74.7 | 174.2 | 0 | 0 | 0 | 112.9 | E856 I857 | L854-E856 PolarHBondContact O-N 3.27Å; L854-I857 WeakPolarHBondContact O-CB 3.45Å; L854-I857 PolarHBondContact O-N 2.95Å; L854-I857 VanDerWaalsContact O-N 3.11Å |
| 855 | E | 92.1 | Very high | 89.9 | Confident | 186 Ų | 186 | 108.4 Ų | 108.4 | 87% | 0.869 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -65 | -24.8 | 177.8 | -66.3 | 150.4 | -155.8 | 0 | 0 | 113 | P853 I857 | P853-E855 PolarHBondContact O-N 3.09Å; P853-E855 VanDerWaalsContact O-N 3.16Å; E855-I857 VanDerWaalsContact C-N 3.31Å |
| 856 | E | 91.4 | Very high | 90.2 | Very high | 129 Ų | 129 | 110.5 Ų | 110.5 | 60% | 0.603 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -83 | -9.9 | 175.9 | -64.5 | -176.6 | -160.2 | 0 | 0 | 112.7 | P853 L854 | P853-E856 HydrophobicContact CB-CG 4.48Å; P853-E856 PolarHBondContact O-N 3.16Å; P853-E856 VanDerWaalsContact O-N 3.09Å; L854-E856 PolarHBondContact O-N 3.27Å |
| 857 | I | 89.2 | Confident | 90.4 | Very high | 87 Ų | 87 | 102.1 Ų | 102.1 | 45% | 0.446 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -82.2 | 143.6 | -179.8 | -53.6 | -60.3 | 0 | 0 | 0 | 110.2 | L854 E855 K859 | L854-I857 WeakPolarHBondContact O-CB 3.45Å; L854-I857 PolarHBondContact O-N 2.95Å; L854-I857 VanDerWaalsContact O-N 3.11Å; E855-I857 VanDerWaalsContact C-N 3.31Å; I857-K859 PolarHBondContact O-N 3.06Å |
| 858 | E | 91.1 | Very high | 90.7 | Very high | 87 Ų | 87 | 94.4 Ų | 94.4 | 41% | 0.407 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -49 | 133.4 | 172.4 | -176.7 | 179.1 | -175 | 0 | 0 | 110.8 | D862 I863 R866 | E858-D862 HydrophobicContact CG-CB 3.77Å; E858-D862 WeakPolarHBondContact OE1-CB 3.39Å; E858-I863 HydrophobicContact CB-CD1 4.49Å; E858-I863 HydrophobicContact CB-CG1 4.25Å; E858-I863 HydrophobicContact CG-CG1 4.03Å; E858-I863 WeakPolarHBondContact O-CD1 3.49Å; E858-R866 IonicContact OE1-NE 3.38Å; E858-R866 IonicContact OE1-NH2 3.82Å; E858-R866 PolarHBondContact OE1-NH2 2.89Å; E858-R866 IonicContact OE2-CZ 3.59Å; E858-R866 IonicContact OE2-NE 3.55Å; E858-R866 IonicContact OE2-NH2 2.73Å; E858-R866 PolarHBondContact OE2-NH2 2.91Å |
| 859 | K | 93 | Very high | 90.9 | Very high | 161 Ų | 161 | 90.7 Ų | 90.7 | 70% | 0.7 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 144.9 | -177.9 | -69.3 | -178.1 | 178.7 | 178.5 | 0 | 110.7 | I857 A861 D862 I863 | I857-K859 PolarHBondContact O-N 3.06Å; K859-A861 PolarHBondContact O-N 2.73Å; K859-A861 VanDerWaalsContact O-N 3.11Å; K859-D862 PolarHBondContact O-N 2.66Å; K859-I863 PolarHBondContact O-N 2.95Å; K859-I863 VanDerWaalsContact O-N 3.14Å |
| 860 | A | 89.8 | Confident | 90.7 | Very high | 72 Ų | 72 | 84.7 Ų | 84.7 | 60% | 0.595 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -53 | -37.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D862 I863 V864 | A860-D862 PolarHBondContact O-N 3.15Å; A860-I863 PolarHBondContact O-N 2.96Å; A860-V864 WeakPolarHBondContact O-CG1 3.34Å; A860-V864 WeakPolarHBondContact O-CG2 3.2Å; A860-V864 PolarHBondContact O-N 2.83Å |
| 861 | A | 91.9 | Very high | 90.7 | Very high | 64 Ų | 64 | 77.6 Ų | 77.6 | 53% | 0.529 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61 | -24.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K859 V864 K865 | K859-A861 PolarHBondContact O-N 2.73Å; K859-A861 VanDerWaalsContact O-N 3.11Å; A861-V864 WeakPolarHBondContact O-CG2 3.5Å; A861-K865 WeakPolarHBondContact O-CE 3.5Å |
| 862 | D | 93.2 | Very high | 90.9 | Very high | 60 Ų | 60 | 74.9 Ų | 74.9 | 32% | 0.321 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -91.3 | -35.6 | 175.3 | -65.1 | -49 | 0 | 0 | 0 | 111.6 | E858 K859 A860 V864 K865 | E858-D862 HydrophobicContact CG-CB 3.77Å; E858-D862 WeakPolarHBondContact OE1-CB 3.39Å; K859-D862 PolarHBondContact O-N 2.66Å; A860-D862 PolarHBondContact O-N 3.15Å; D862-V864 PolarHBondContact O-N 3.02Å; D862-K865 WeakPolarHBondContact O-CB 3.04Å; D862-K865 PolarHBondContact O-N 2.8Å; D862-K865 IonicContact OD1-NZ 2.81Å; D862-K865 PolarHBondContact OD1-NZ 2.98Å |
| 863 | I | 90.1 | Very high | 91.1 | Very high | 57 Ų | 57 | 69.8 Ų | 69.8 | 29% | 0.292 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 174.6 | -63.5 | 172.6 | 0 | 0 | 0 | 111.1 | E858 K859 A860 K865 R866 F867 | E858-I863 HydrophobicContact CB-CD1 4.49Å; E858-I863 HydrophobicContact CB-CG1 4.25Å; E858-I863 HydrophobicContact CG-CG1 4.03Å; E858-I863 WeakPolarHBondContact O-CD1 3.49Å; K859-I863 PolarHBondContact O-N 2.95Å; K859-I863 VanDerWaalsContact O-N 3.14Å; A860-I863 PolarHBondContact O-N 2.96Å; I863-K865 PolarHBondContact O-N 2.63Å; I863-K865 VanDerWaalsContact O-N 3.15Å; I863-R866 VanDerWaalsContact O-CB 3.27Å; I863-R866 WeakPolarHBondContact O-CB 3.49Å; I863-R866 WeakPolarHBondContact O-CG 3.36Å; I863-R866 PolarHBondContact O-N 2.94Å; I863-F867 HydrophobicContact CG2-CE1 4.29Å; I863-F867 HydrophobicContact CG2-CZ 4.01Å |
| 864 | V | 90.9 | Very high | 91.1 | Very high | 35 Ų | 35 | 67.9 Ų | 67.9 | 21% | 0.212 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -63.1 | -22.8 | -176.5 | -65.6 | 0 | 0 | 0 | 0 | 113.5 | A860 A861 D862 R866 F867 I892 A894 | A860-V864 WeakPolarHBondContact O-CG1 3.34Å; A860-V864 WeakPolarHBondContact O-CG2 3.2Å; A860-V864 PolarHBondContact O-N 2.83Å; A861-V864 WeakPolarHBondContact O-CG2 3.5Å; D862-V864 PolarHBondContact O-N 3.02Å; V864-R866 PolarHBondContact O-N 3.26Å; V864-R866 VanDerWaalsContact O-N 3.15Å; V864-F867 HydrophobicContact CB-CD2 4.26Å; V864-F867 HydrophobicContact CG1-CD2 4.18Å; V864-F867 HydrophobicContact CG1-CE2 4.07Å; V864-F867 VanDerWaalsContact O-CB 3.31Å; V864-F867 WeakPolarHBondContact O-CB 3.32Å; V864-F867 PolarHBondContact O-N 2.9Å; V864-I892 HydrophobicContact CB-CD1 4.3Å; V864-I892 HydrophobicContact CG2-CB 4.28Å; V864-A894 VanDerWaalsContact O-CB 3.3Å; V864-A894 WeakPolarHBondContact O-CB 3.26Å |
| 865 | K | 91.2 | Very high | 91.3 | Very high | 103 Ų | 103 | 60.6 Ų | 60.6 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -63.6 | -19 | 174.5 | -62.3 | 172.2 | -176.6 | 162.8 | 0 | 112.6 | A861 D862 I863 F867 | A861-K865 WeakPolarHBondContact O-CE 3.5Å; D862-K865 WeakPolarHBondContact O-CB 3.04Å; D862-K865 PolarHBondContact O-N 2.8Å; D862-K865 IonicContact OD1-NZ 2.81Å; D862-K865 PolarHBondContact OD1-NZ 2.98Å; I863-K865 PolarHBondContact O-N 2.63Å; I863-K865 VanDerWaalsContact O-N 3.15Å; K865-F867 VanDerWaalsContact C-N 3.28Å |
| 866 | R | 90.2 | Very high | 91.2 | Very high | 70 Ų | 70 | 53.2 Ų | 53.2 | 26% | 0.264 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -81.4 | -10.4 | 174.5 | -55.2 | 179.6 | -171 | -141.9 | 7.1 | 112.5 | E858 I863 V864 F1104 | E858-R866 IonicContact OE1-NE 3.38Å; E858-R866 IonicContact OE1-NH2 3.82Å; E858-R866 PolarHBondContact OE1-NH2 2.89Å; E858-R866 IonicContact OE2-CZ 3.59Å; E858-R866 IonicContact OE2-NE 3.55Å; E858-R866 IonicContact OE2-NH2 2.73Å; E858-R866 PolarHBondContact OE2-NH2 2.91Å; I863-R866 VanDerWaalsContact O-CB 3.27Å; I863-R866 WeakPolarHBondContact O-CB 3.49Å; I863-R866 WeakPolarHBondContact O-CG 3.36Å; I863-R866 PolarHBondContact O-N 2.94Å; V864-R866 PolarHBondContact O-N 3.26Å; V864-R866 VanDerWaalsContact O-N 3.15Å; R866-F1104 PolarHBondContact O-N 2.73Å |
| 867 | F | 91.5 | Very high | 91.3 | Very high | 27 Ų | 27 | 48.9 Ų | 48.9 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 141.3 | -179.3 | -59.5 | -13.6 | 0 | 0 | 0 | 111.3 | I863 V864 K865 M889 A894 K895 Y1093 F1104 A1106 | I863-F867 HydrophobicContact CG2-CE1 4.29Å; I863-F867 HydrophobicContact CG2-CZ 4.01Å; V864-F867 HydrophobicContact CB-CD2 4.26Å; V864-F867 HydrophobicContact CG1-CD2 4.18Å; V864-F867 HydrophobicContact CG1-CE2 4.07Å; V864-F867 VanDerWaalsContact O-CB 3.31Å; V864-F867 WeakPolarHBondContact O-CB 3.32Å; V864-F867 PolarHBondContact O-N 2.9Å; K865-F867 VanDerWaalsContact C-N 3.28Å; F867-M889 HydrophobicContact CB-CE 4.25Å; F867-A894 WeakPolarHBondContact O-CB 3.16Å; F867-K895 PolarHBondContact O-N 3.29Å; F867-Y1093 AromaticContact CD1-CE1 3.92Å; F867-Y1093 HydrophobicContact CD1-CE1 3.92Å; F867-Y1093 AromaticContact CE1-CD1 3.83Å; F867-Y1093 HydrophobicContact CE1-CD1 3.83Å; F867-Y1093 AromaticContact CE1-CE1 3.21Å; F867-Y1093 HydrophobicContact CE1-CE1 3.21Å; F867-Y1093 HydrophobicContact CE1-CE2 4.03Å; F867-Y1093 HydrophobicContact CE1-CG 4.46Å; F867-Y1093 AromaticContact CE1-CZ 3.35Å; F867-Y1093 HydrophobicContact CE2-CE2 4.3Å; F867-Y1093 AromaticContact CE2-CZ 3.95Å; F867-Y1093 HydrophobicContact CZ-CD1 4.3Å; F867-Y1093 HydrophobicContact CZ-CD2 4.2Å; F867-Y1093 AromaticContact CZ-CE1 3.65Å; F867-Y1093 HydrophobicContact CZ-CE1 3.65Å; F867-Y1093 AromaticContact CZ-CE2 3.54Å; F867-Y1093 HydrophobicContact CZ-CE2 3.54Å; F867-Y1093 AromaticContact CZ-CZ 3.23Å; F867-Y1093 WeakPolarHBondContact CZ-OH 3.42Å; F867-F1104 CarbonylContact C-O 3.31Å; F867-F1104 WeakPolarHBondContact CA-O 3.38Å; F867-F1104 HydrophobicContact CD1-CB 4.25Å; F867-A1106 HydrophobicContact CB-CB 4.05Å; F867-A1106 HydrophobicContact CD2-CB 4.04Å; F867-A1106 HydrophobicContact CG-CB 3.97Å |
| 868 | A | 92.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 2% | 0.017 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 149.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111 | K895 I921 F1104 N1105 A1106 | A868-K895 CarbonylContact C-O 3.18Å; A868-K895 WeakPolarHBondContact CA-O 3.42Å; A868-K895 HydrophobicContact CB-CB 4.15Å; A868-I921 HydrophobicContact CB-CD1 4Å; A868-F1104 PolarHBondContact N-O 2.87Å; A868-N1105 WeakPolarHBondContact CA-OD1 3.13Å; A868-N1105 WeakPolarHBondContact CB-OD1 3.28Å; A868-N1105 CarbonylContact O-C 3.26Å; A868-N1105 WeakPolarHBondContact O-CA 3.48Å; A868-N1105 PolarHBondContact O-OD1 2.89Å; A868-A1106 PolarHBondContact O-N 3Å; A868-A1106 VanDerWaalsContact O-O 3.11Å |
| 869 | T | 92 | Very high | 91.7 | Very high | 6 Ų | 6 | 46.9 Ų | 46.9 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | trans | -80.1 | 148.4 | 171.8 | 61.6 | 0 | 0 | 0 | 0 | 110.3 | L885 M889 K895 S896 | T869-L885 HydrophobicContact CG2-CD2 4.2Å; T869-M889 HydrophobicContact CG2-CE 3.98Å; T869-M889 HydrophobicContact CG2-CG 3.52Å; T869-M889 HydrophobicContact CG2-SD 3.69Å; T869-K895 PolarHBondContact N-O 3.35Å; T869-S896 VanDerWaalsContact OG1-CA 3.3Å; T869-S896 WeakPolarHBondContact OG1-CA 3.3Å | ||
| 870 | G | 85.5 | Confident | 91.8 | Very high | 6 Ų | 6 | 45 Ų | 45 | 6% | 0.062 | 25% | 0.25 | C | C | . | . | trans | -56.4 | 150.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M872 | G870-M872 PolarHBondContact O-N 3.26Š| ||
| 871 | A | 90.4 | Very high | 92 | Very high | 25 Ų | 25 | 44.8 Ų | 44.8 | 21% | 0.207 | 24% | 0.241 | C | C | . | . | trans | -74.2 | 86.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N897 | A871-N897 HydrophobicContact CB-CB 4.21Å; A871-N897 VanDerWaalsContact CB-CG 3.46Å; A871-N897 WeakPolarHBondContact CB-OD1 3.42Å | ||
| 872 | M | 93.3 | Very high | 92.1 | Very high | 61 Ų | 61 | 42 Ų | 42 | 30% | 0.3 | 22% | 0.217 | S | C | . | . | trans | -107.5 | 122.9 | -178.9 | -64.8 | 174.9 | -73 | 0 | 0 | 110.2 | G870 I877 H882 L885 T898 | G870-M872 PolarHBondContact O-N 3.26Å; M872-I877 HydrophobicContact CB-CD1 3.75Å; M872-I877 HydrophobicContact CB-CG1 4.21Å; M872-I877 HydrophobicContact CB-CG2 4.45Å; M872-H882 PolarHBondContact O-CD2 3.46Å; M872-H882 PolarHBondContact O-NE2 3.27Å; M872-L885 HydrophobicContact CE-CD1 3.38Å; M872-T898 CarbonylContact O-C 3.51Å; M872-T898 VanDerWaalsContact O-O 3.1Å | ||
| 873 | S | 93.5 | Very high | 92.2 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | trans | -76.8 | 142.5 | -173 | 70.8 | 0 | 0 | 0 | 0 | 112.8 | G875 S876 I877 R971 | S873-G875 PolarHBondContact O-N 2.92Å; S873-S876 PolarHBondContact N-OG 2.94Å; S873-S876 VanDerWaalsContact N-OG 3.11Å; S873-S876 PolarHBondContact O-N 2.96Å; S873-S876 PolarHBondContact O-OG 3.29Å; S873-S876 WeakPolarHBondContact OG-CB 3.35Å; S873-S876 PolarHBondContact OG-OG 3.41Å; S873-I877 WeakPolarHBondContact O-CG1 3.31Å; S873-I877 PolarHBondContact O-N 3.49Å; S873-I877 VanDerWaalsContact O-N 3.14Å; S873-R971 PolarHBondContact OG-NH2 2.89Å | ||
| 874 | F | 92.4 | Very high | 92.4 | Very high | 23 Ų | 23 | 41.7 Ų | 41.7 | 10% | 0.101 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -59.2 | 121.6 | 160 | 178.5 | -132.9 | 0 | 0 | 0 | 109.4 | Y879 E966 I967 T970 R971 | F874-Y879 HydrophobicContact CE2-CD2 4.13Å; F874-Y879 HydrophobicContact CE2-CG 4.37Å; F874-Y879 HydrophobicContact CZ-CD2 4.18Å; F874-E966 HydrophobicContact CZ-CB 4.48Å; F874-I967 HydrophobicContact CD1-CG1 4.22Å; F874-I967 HydrophobicContact CE1-CG1 3.76Å; F874-I967 HydrophobicContact CE2-CG1 4.16Å; F874-I967 HydrophobicContact CZ-CG1 3.72Å; F874-T970 HydrophobicContact CD1-CG2 4.4Å; F874-R971 PolarHBondContact O-NH2 3.24Å |
| 875 | G | 91.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 110.4 | -38.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S873 I877 L958 K962 | S873-G875 PolarHBondContact O-N 2.92Å; G875-I877 PolarHBondContact N-O 2.73Å; G875-I877 VanDerWaalsContact N-O 3.1Å; G875-L958 WeakPolarHBondContact O-CD1 3.15Å; G875-K962 WeakPolarHBondContact O-CE 3.12Å; G875-K962 PolarHBondContact O-NZ 3.39Å |
| 876 | S | 91.1 | Very high | 92.8 | Very high | 32 Ų | 32 | 36.7 Ų | 36.7 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -46 | 166 | 68.1 | 0 | 0 | 0 | 0 | 110.5 | S873 K962 | S873-S876 PolarHBondContact N-OG 2.94Å; S873-S876 VanDerWaalsContact N-OG 3.11Å; S873-S876 PolarHBondContact O-N 2.96Å; S873-S876 PolarHBondContact O-OG 3.29Å; S873-S876 WeakPolarHBondContact OG-CB 3.35Å; S873-S876 PolarHBondContact OG-OG 3.41Å; S876-K962 PolarHBondContact O-NZ 3.26Å |
| 877 | I | 93.7 | Very high | 93.1 | Very high | 38 Ų | 38 | 34.2 Ų | 34.2 | 20% | 0.195 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -110.8 | 161.4 | 171.3 | 59.4 | 169.4 | 0 | 0 | 0 | 110.4 | M872 S873 G875 T881 H882 L885 | M872-I877 HydrophobicContact CB-CD1 3.75Å; M872-I877 HydrophobicContact CB-CG1 4.21Å; M872-I877 HydrophobicContact CB-CG2 4.45Å; S873-I877 WeakPolarHBondContact O-CG1 3.31Å; S873-I877 PolarHBondContact O-N 3.49Å; S873-I877 VanDerWaalsContact O-N 3.14Å; G875-I877 PolarHBondContact N-O 2.73Å; G875-I877 VanDerWaalsContact N-O 3.1Å; I877-T881 HydrophobicContact CB-CG2 4.29Å; I877-T881 HydrophobicContact CD1-CG2 4.07Å; I877-H882 HydrophobicContact CD1-CB 3.86Å; I877-H882 HydrophobicContact CG1-CB 4.2Å; I877-L885 HydrophobicContact CD1-CD1 4.25Å |
| 878 | S | 94.1 | Very high | 93.2 | Very high | 49 Ų | 49 | 35.1 Ų | 35.1 | 34% | 0.343 | 20% | 0.202 | S | C | . | . | trans | -69.6 | 163.5 | -179.1 | 86.6 | 0 | 0 | 0 | 0 | 112.2 | E880 T881 H882 | S878-E880 VanDerWaalsContact C-N 3.29Å; S878-E880 WeakPolarHBondContact CB-OE2 3.46Å; S878-E880 PolarHBondContact O-N 3.11Å; S878-E880 PolarHBondContact OG-N 2.9Å; S878-E880 PolarHBondContact OG-OE2 2.82Å; S878-T881 PolarHBondContact O-N 3.06Å; S878-T881 PolarHBondContact OG-N 3.31Å; S878-T881 VanDerWaalsContact OG-N 3.14Å; S878-T881 PolarHBondContact OG-OG1 3.38Å; S878-H882 WeakPolarHBondContact O-CB 3.36Å; S878-H882 PolarHBondContact O-N 2.86Å | ||
| 879 | Y | 93.1 | Very high | 93.3 | Very high | 83 Ų | 83 | 35.3 Ų | 35.3 | 33% | 0.325 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 176.8 | 179.7 | -103 | 0 | 0 | 0 | 111.4 | F874 H882 T883 | F874-Y879 HydrophobicContact CE2-CD2 4.13Å; F874-Y879 HydrophobicContact CE2-CG 4.37Å; F874-Y879 HydrophobicContact CZ-CD2 4.18Å; Y879-H882 PolarHBondContact O-N 3.17Å; Y879-T883 VanDerWaalsContact O-CB 3.26Å; Y879-T883 WeakPolarHBondContact O-CB 3.4Å; Y879-T883 PolarHBondContact O-N 2.89Å; Y879-T883 PolarHBondContact O-OG1 2.97Å |
| 880 | E | 95 | Very high | 93.4 | Very high | 121 Ų | 121 | 36.4 Ų | 36.4 | 57% | 0.565 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -61.6 | -51.5 | 179.2 | -55.6 | 72.8 | -158.6 | 0 | 0 | 109.7 | S878 H882 T883 T884 | S878-E880 VanDerWaalsContact C-N 3.29Å; S878-E880 WeakPolarHBondContact CB-OE2 3.46Å; S878-E880 PolarHBondContact O-N 3.11Å; S878-E880 PolarHBondContact OG-N 2.9Å; S878-E880 PolarHBondContact OG-OE2 2.82Å; E880-H882 VanDerWaalsContact C-N 3.35Å; E880-H882 PolarHBondContact O-N 2.92Å; E880-T883 PolarHBondContact O-N 2.94Å; E880-T884 WeakPolarHBondContact O-CB 3.47Å; E880-T884 PolarHBondContact O-N 3.46Å; E880-T884 PolarHBondContact O-OG1 2.92Å |
| 881 | T | 95.1 | Very high | 93.8 | Very high | 67 Ų | 67 | 41.9 Ų | 41.9 | 41% | 0.411 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.1 | -47.3 | 179.2 | -53.7 | 0 | 0 | 0 | 0 | 111 | I877 S878 T883 T884 L885 | I877-T881 HydrophobicContact CB-CG2 4.29Å; I877-T881 HydrophobicContact CD1-CG2 4.07Å; S878-T881 PolarHBondContact O-N 3.06Å; S878-T881 PolarHBondContact OG-N 3.31Å; S878-T881 VanDerWaalsContact OG-N 3.14Å; S878-T881 PolarHBondContact OG-OG1 3.38Å; T881-T883 VanDerWaalsContact C-N 3.34Å; T881-T883 PolarHBondContact O-N 3.16Å; T881-T884 PolarHBondContact O-N 3.05Å; T881-L885 WeakPolarHBondContact O-CG 3.3Å; T881-L885 PolarHBondContact O-N 3.42Å; T881-L885 VanDerWaalsContact O-N 3.14Å |
| 882 | H | 94.9 | Very high | 93.9 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.028 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63 | -41.4 | -178.8 | -165 | -76.6 | 0 | 0 | 0 | 112.1 | M872 I877 S878 Y879 E880 A886 T898 R907 | M872-H882 PolarHBondContact O-CD2 3.46Å; M872-H882 PolarHBondContact O-NE2 3.27Å; I877-H882 HydrophobicContact CD1-CB 3.86Å; I877-H882 HydrophobicContact CG1-CB 4.2Å; S878-H882 WeakPolarHBondContact O-CB 3.36Å; S878-H882 PolarHBondContact O-N 2.86Å; Y879-H882 PolarHBondContact O-N 3.17Å; E880-H882 VanDerWaalsContact C-N 3.35Å; E880-H882 PolarHBondContact O-N 2.92Å; H882-A886 PolarHBondContact O-N 2.72Å; H882-T898 PolarHBondContact NE2-O 3.28Å; H882-R907 PolarHBondContact CE1-NH1 3.5Å; H882-R907 PolarHBondContact ND1-NH1 3.26Å; H882-R907 PolarHBondContact ND1-NH2 3.13Å |
| 883 | T | 93.8 | Very high | 93.9 | Very high | 15 Ų | 15 | 43.8 Ų | 43.8 | 9% | 0.092 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.7 | -40.8 | -179.9 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | Y879 E880 T881 L885 A886 V887 M917 | Y879-T883 VanDerWaalsContact O-CB 3.26Å; Y879-T883 WeakPolarHBondContact O-CB 3.4Å; Y879-T883 PolarHBondContact O-N 2.89Å; Y879-T883 PolarHBondContact O-OG1 2.97Å; E880-T883 PolarHBondContact O-N 2.94Å; T881-T883 VanDerWaalsContact C-N 3.34Å; T881-T883 PolarHBondContact O-N 3.16Å; T883-L885 VanDerWaalsContact C-N 3.31Å; T883-L885 PolarHBondContact O-N 3.25Å; T883-A886 PolarHBondContact O-N 2.84Å; T883-A886 VanDerWaalsContact O-N 3.13Å; T883-V887 HydrophobicContact CG2-CG2 4.38Å; T883-V887 WeakPolarHBondContact O-CG2 3.49Å; T883-V887 PolarHBondContact O-N 3.38Å; T883-M917 HydrophobicContact CG2-CB 4.04Å; T883-M917 HydrophobicContact CG2-CG 3.62Å; T883-M917 HydrophobicContact CG2-SD 3.67Å |
| 884 | T | 95.3 | Very high | 93.9 | Very high | 96 Ų | 96 | 43.7 Ų | 43.7 | 59% | 0.589 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -58 | -44.2 | 175.6 | -65.1 | 0 | 0 | 0 | 0 | 111.3 | E880 T881 A886 V887 A888 | E880-T884 WeakPolarHBondContact O-CB 3.47Å; E880-T884 PolarHBondContact O-N 3.46Å; E880-T884 PolarHBondContact O-OG1 2.92Å; T881-T884 PolarHBondContact O-N 3.05Å; T884-A886 VanDerWaalsContact C-N 3.34Å; T884-A886 PolarHBondContact O-N 3.05Å; T884-V887 PolarHBondContact O-N 3.35Å; T884-A888 VanDerWaalsContact O-CB 3.3Å; T884-A888 WeakPolarHBondContact O-CB 3.45Å; T884-A888 PolarHBondContact O-N 3.38Å |
| 885 | L | 95.9 | Very high | 94 | Very high | 33 Ų | 33 | 45 Ų | 45 | 17% | 0.173 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61 | -43 | 175.8 | -69.6 | 172.9 | 0 | 0 | 0 | 111.8 | T869 M872 I877 T881 T883 A888 M889 | T869-L885 HydrophobicContact CG2-CD2 4.2Å; M872-L885 HydrophobicContact CE-CD1 3.38Å; I877-L885 HydrophobicContact CD1-CD1 4.25Å; T881-L885 WeakPolarHBondContact O-CG 3.3Å; T881-L885 PolarHBondContact O-N 3.42Å; T881-L885 VanDerWaalsContact O-N 3.14Å; T883-L885 VanDerWaalsContact C-N 3.31Å; T883-L885 PolarHBondContact O-N 3.25Å; L885-A888 PolarHBondContact O-N 2.76Å; L885-M889 VanDerWaalsContact O-CG 3.26Å; L885-M889 WeakPolarHBondContact O-CG 3.37Å; L885-M889 PolarHBondContact O-N 2.87Å |
| 886 | A | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -48.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H882 T883 T884 A888 M889 N890 S896 R907 M917 | H882-A886 PolarHBondContact O-N 2.72Å; T883-A886 PolarHBondContact O-N 2.84Å; T883-A886 VanDerWaalsContact O-N 3.13Å; T884-A886 VanDerWaalsContact C-N 3.34Å; T884-A886 PolarHBondContact O-N 3.05Å; A886-A888 PolarHBondContact O-N 3.01Å; A886-M889 PolarHBondContact O-N 3.03Å; A886-N890 WeakPolarHBondContact O-CB 3.49Å; A886-N890 PolarHBondContact O-N 3.46Å; A886-N890 PolarHBondContact O-ND2 3.2Å; A886-N890 VanDerWaalsContact O-ND2 3.1Å; A886-S896 WeakPolarHBondContact CA-OG 3.36Å; A886-R907 VanDerWaalsContact CB-NH2 3.28Å; A886-M917 WeakPolarHBondContact CB-O 3.46Å |
| 887 | V | 95.2 | Very high | 94.5 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 10% | 0.103 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 177.9 | 173.6 | 0 | 0 | 0 | 0 | 111 | T883 T884 N890 K891 M915 M917 | T883-V887 HydrophobicContact CG2-CG2 4.38Å; T883-V887 WeakPolarHBondContact O-CG2 3.49Å; T883-V887 PolarHBondContact O-N 3.38Å; T884-V887 PolarHBondContact O-N 3.35Å; V887-N890 PolarHBondContact O-N 2.81Å; V887-K891 HydrophobicContact CG1-CD 4.29Å; V887-K891 WeakPolarHBondContact O-CG 3.14Å; V887-K891 PolarHBondContact O-N 2.91Å; V887-M915 HydrophobicContact CG1-SD 4.23Å; V887-M917 HydrophobicContact CG2-CG 3.96Å |
| 888 | A | 94.8 | Very high | 94.7 | Very high | 47 Ų | 47 | 42 Ų | 42 | 39% | 0.388 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.2 | -48.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T884 L885 A886 K891 I892 | T884-A888 VanDerWaalsContact O-CB 3.3Å; T884-A888 WeakPolarHBondContact O-CB 3.45Å; T884-A888 PolarHBondContact O-N 3.38Å; L885-A888 PolarHBondContact O-N 2.76Å; A886-A888 PolarHBondContact O-N 3.01Å; A888-K891 PolarHBondContact O-N 3.09Å; A888-I892 PolarHBondContact O-N 2.9Å |
| 889 | M | 95 | Very high | 94.6 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.5 | -39.5 | -178.5 | -63.6 | -53.3 | -82.4 | 0 | 0 | 112.3 | F867 T869 L885 A886 K891 I892 G893 A894 K895 | F867-M889 HydrophobicContact CB-CE 4.25Å; T869-M889 HydrophobicContact CG2-CE 3.98Å; T869-M889 HydrophobicContact CG2-CG 3.52Å; T869-M889 HydrophobicContact CG2-SD 3.69Å; L885-M889 VanDerWaalsContact O-CG 3.26Å; L885-M889 WeakPolarHBondContact O-CG 3.37Å; L885-M889 PolarHBondContact O-N 2.87Å; A886-M889 PolarHBondContact O-N 3.03Å; M889-K891 VanDerWaalsContact C-N 3.34Å; M889-K891 PolarHBondContact O-N 2.76Å; M889-I892 WeakPolarHBondContact O-CG1 3.46Å; M889-I892 PolarHBondContact O-N 2.86Å; M889-I892 HydrophobicContact SD-CD1 4.08Å; M889-G893 PolarHBondContact O-N 2.72Å; M889-A894 HydrophobicContact CB-CB 4.34Å; M889-A894 HydrophobicContact CE-CB 3.29Å; M889-A894 CarbonylContact O-C 3.57Å; M889-A894 PolarHBondContact O-N 3.39Å; M889-A894 HydrophobicContact SD-CB 4.12Å; M889-K895 WeakPolarHBondContact CE-O 3.36Å |
| 890 | N | 94.1 | Very high | 94.6 | Very high | 30 Ų | 30 | 36.6 Ų | 36.6 | 16% | 0.16 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.7 | -39.6 | 177.3 | -70.2 | -24.8 | 0 | 0 | 0 | 111.7 | A886 V887 I892 G893 N916 R918 | A886-N890 WeakPolarHBondContact O-CB 3.49Å; A886-N890 PolarHBondContact O-N 3.46Å; A886-N890 PolarHBondContact O-ND2 3.2Å; A886-N890 VanDerWaalsContact O-ND2 3.1Å; V887-N890 PolarHBondContact O-N 2.81Å; N890-I892 VanDerWaalsContact C-N 3.31Å; N890-I892 PolarHBondContact O-N 2.96Å; N890-G893 PolarHBondContact O-N 3.13Å; N890-N916 HydrophobicContact CB-CB 4.16Å; N890-N916 PolarHBondContact ND2-O 2.85Å; N890-R918 PolarHBondContact ND2-O 3.15Å |
| 891 | K | 93.5 | Very high | 94.4 | Very high | 121 Ų | 121 | 30.9 Ų | 30.9 | 53% | 0.526 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.6 | -38.1 | 177.1 | -80.4 | -179.5 | -179.1 | -176.9 | 0 | 113.3 | V887 A888 M889 N914 | V887-K891 HydrophobicContact CG1-CD 4.29Å; V887-K891 WeakPolarHBondContact O-CG 3.14Å; V887-K891 PolarHBondContact O-N 2.91Å; A888-K891 PolarHBondContact O-N 3.09Å; M889-K891 VanDerWaalsContact C-N 3.34Å; M889-K891 PolarHBondContact O-N 2.76Å; K891-N914 WeakPolarHBondContact CE-O 3.42Å |
| 892 | I | 92.7 | Very high | 94.3 | Very high | 82 Ų | 82 | 27.7 Ų | 27.7 | 42% | 0.421 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 4.9 | -178 | 66.8 | 176.2 | 0 | 0 | 0 | 113.1 | V864 A888 M889 N890 A894 | V864-I892 HydrophobicContact CB-CD1 4.3Å; V864-I892 HydrophobicContact CG2-CB 4.28Å; A888-I892 PolarHBondContact O-N 2.9Å; M889-I892 WeakPolarHBondContact O-CG1 3.46Å; M889-I892 PolarHBondContact O-N 2.86Å; M889-I892 HydrophobicContact SD-CD1 4.08Å; N890-I892 VanDerWaalsContact C-N 3.31Å; N890-I892 PolarHBondContact O-N 2.96Å; I892-A894 HydrophobicContact CD1-CB 3.84Å; I892-A894 HydrophobicContact CG1-CB 3.63Å; I892-A894 PolarHBondContact O-N 2.76Å |
| 893 | G | 91.8 | Very high | 94.3 | Very high | 44 Ų | 44 | 28 Ų | 28 | 45% | 0.454 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 15.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | M889 N890 | M889-G893 PolarHBondContact O-N 2.72Å; N890-G893 PolarHBondContact O-N 3.13Å |
| 894 | A | 94.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | trans | -90.5 | -169 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V864 F867 M889 I892 | V864-A894 VanDerWaalsContact O-CB 3.3Å; V864-A894 WeakPolarHBondContact O-CB 3.26Å; F867-A894 WeakPolarHBondContact O-CB 3.16Å; M889-A894 HydrophobicContact CB-CB 4.34Å; M889-A894 HydrophobicContact CE-CB 3.29Å; M889-A894 CarbonylContact O-C 3.57Å; M889-A894 PolarHBondContact O-N 3.39Å; M889-A894 HydrophobicContact SD-CB 4.12Å; I892-A894 HydrophobicContact CD1-CB 3.84Å; I892-A894 HydrophobicContact CG1-CB 3.63Å; I892-A894 PolarHBondContact O-N 2.76Å | ||
| 895 | K | 95.4 | Very high | 93.9 | Very high | 51 Ų | 51 | 28.5 Ų | 28.5 | 22% | 0.222 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -126.1 | 138.7 | -176.1 | -62.1 | 179.7 | -177.2 | 179.8 | 0 | 113.3 | F867 A868 T869 M889 A920 I921 E941 R1009 | F867-K895 PolarHBondContact O-N 3.29Å; A868-K895 CarbonylContact C-O 3.18Å; A868-K895 WeakPolarHBondContact CA-O 3.42Å; A868-K895 HydrophobicContact CB-CB 4.15Å; T869-K895 PolarHBondContact N-O 3.35Å; M889-K895 WeakPolarHBondContact CE-O 3.36Å; K895-A920 HydrophobicContact CB-CB 4.19Å; K895-A920 HydrophobicContact CG-CB 4.12Å; K895-I921 HydrophobicContact CB-CD1 3.78Å; K895-I921 HydrophobicContact CB-CG1 3.95Å; K895-I921 HydrophobicContact CD-CD1 4.13Å; K895-I921 HydrophobicContact CD-CG1 4.07Å; K895-E941 IonicContact NZ-OE2 3.97Å; K895-E941 PolarHBondContact NZ-OE2 3.27Å; K895-R1009 VanDerWaalsContact NZ-NH2 3.17Å |
| 896 | S | 96.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | trans | -108.3 | 154.8 | 168.5 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | T869 A886 S919 A920 I921 | T869-S896 VanDerWaalsContact OG1-CA 3.3Å; T869-S896 WeakPolarHBondContact OG1-CA 3.3Å; A886-S896 WeakPolarHBondContact CA-OG 3.36Å; S896-S919 WeakPolarHBondContact OG-CA 3.26Å; S896-A920 PolarHBondContact O-N 2.74Å; S896-I921 WeakPolarHBondContact O-CB 3.4Å; S896-I921 PolarHBondContact O-N 3.49Å | ||
| 897 | N | 96.5 | Very high | 93.4 | Very high | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.043 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -120.7 | 135.1 | -176.7 | -171.1 | -41.8 | 0 | 0 | 0 | 112 | A871 G899 I921 Q943 | A871-N897 HydrophobicContact CB-CB 4.21Å; A871-N897 VanDerWaalsContact CB-CG 3.46Å; A871-N897 WeakPolarHBondContact CB-OD1 3.42Å; N897-G899 VanDerWaalsContact C-N 3.26Å; N897-G899 PolarHBondContact O-N 2.99Å; N897-G899 PolarHBondContact OD1-N 3.15Å; N897-I921 WeakPolarHBondContact CA-O 3.18Å; N897-I921 HydrophobicContact CB-CB 4.04Å; N897-I921 HydrophobicContact CB-CG2 4.36Å; N897-I921 WeakPolarHBondContact ND2-CG2 3.44Å; N897-Q943 PolarHBondContact ND2-OE1 2.65Å |
| 898 | T | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -64.7 | -25.6 | -178.2 | 59.7 | 0 | 0 | 0 | 0 | 114.9 | M872 H882 E903 I921 K922 Q923 Y935 | M872-T898 CarbonylContact O-C 3.51Å; M872-T898 VanDerWaalsContact O-O 3.1Å; H882-T898 PolarHBondContact NE2-O 3.28Å; T898-E903 HydrophobicContact CG2-CB 4.11Å; T898-E903 WeakPolarHBondContact CG2-OE2 3.25Å; T898-I921 PolarHBondContact N-O 2.66Å; T898-I921 VanDerWaalsContact N-O 3.08Å; T898-K922 HydrophobicContact CG2-CB 4.47Å; T898-K922 HydrophobicContact CG2-CD 4.06Å; T898-K922 HydrophobicContact CG2-CG 4.03Å; T898-Q923 PolarHBondContact OG1-N 2.83Å; T898-Q923 VanDerWaalsContact OG1-N 3.09Å; T898-Y935 HydrophobicContact CG2-CE2 4.05Å; T898-Y935 PolarHBondContact OG1-OH 3.1Å | ||
| 899 | G | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | 61.3 | -170.3 | -158.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N897 G901 Q923 | N897-G899 VanDerWaalsContact C-N 3.26Å; N897-G899 PolarHBondContact O-N 2.99Å; N897-G899 PolarHBondContact OD1-N 3.15Å; G899-G901 PolarHBondContact O-N 2.66Å; G899-Q923 VanDerWaalsContact CA-OE1 3.27Å |
| 900 | E | 92 | Very high | 92 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 9% | 0.089 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -77.7 | 8.3 | -174.9 | 64.2 | -177.6 | -157.6 | 0 | 0 | 115 | Q923 A925 F929 K945 G956 | E900-Q923 VanDerWaalsContact N-OE1 3.07Å; E900-A925 HydrophobicContact CB-CB 3.78Å; E900-F929 WeakPolarHBondContact O-CB 3.3Å; E900-K945 IonicContact OE2-NZ 2.7Å; E900-K945 PolarHBondContact OE2-NZ 3.29Å; E900-G956 VanDerWaalsContact OE1-CA 3.25Å; E900-G956 WeakPolarHBondContact OE1-CA 3.25Å; E900-G956 WeakPolarHBondContact OE2-CA 3.44Å |
| 901 | G | 91.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -92.4 | -3.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | G899 R971 | G899-G901 PolarHBondContact O-N 2.66Å; G901-R971 WeakPolarHBondContact O-CG 3.41Å |
| 902 | G | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | 73.8 | -176.1 | -165.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F929 | G902-F929 PolarHBondContact N-O 3.37Š| ||
| 903 | E | 94.9 | Very high | 89.9 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | trans | -144.9 | 136.2 | 175.1 | -170.1 | 174 | 143.2 | 0 | 0 | 109.3 | T898 S905 R907 Y908 R918 S919 K922 Y935 | T898-E903 HydrophobicContact CG2-CB 4.11Å; T898-E903 WeakPolarHBondContact CG2-OE2 3.25Å; E903-S905 PolarHBondContact O-N 3.35Å; E903-R907 HydrophobicContact CG-CB 4.46Å; E903-R907 IonicContact OE1-CZ 3.22Å; E903-R907 IonicContact OE1-NE 2.92Å; E903-Y908 HydrophobicContact CB-CE1 4.33Å; E903-Y908 HydrophobicContact CG-CE1 3.97Å; E903-Y908 PolarHBondContact O-OH 3.17Å; E903-Y908 WeakPolarHBondContact OE1-CE1 3.27Å; E903-R918 WeakPolarHBondContact OE1-CA 3.41Å; E903-S919 PolarHBondContact OE1-N 3.41Å; E903-S919 WeakPolarHBondContact OE2-CB 3.48Å; E903-S919 PolarHBondContact OE2-N 3.21Å; E903-S919 PolarHBondContact OE2-OG 3.31Å; E903-K922 VanDerWaalsContact CD-NZ 3.26Å; E903-K922 IonicContact OE1-NZ 3.53Å; E903-K922 PolarHBondContact OE1-NZ 3.44Å; E903-K922 IonicContact OE2-NZ 3.65Å; E903-K922 PolarHBondContact OE2-NZ 2.83Å; E903-Y935 HydrophobicContact CB-CD2 4.21Å; E903-Y935 HydrophobicContact CB-CE2 4.14Å | ||
| 904 | N | 90.8 | Very high | 89.5 | Confident | 51 Ų | 51 | 45.7 Ų | 45.7 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | trans | -66.2 | 130.7 | 176.7 | -177.9 | -6.9 | 0 | 0 | 0 | 109.7 | E906 R907 | N904-E906 PolarHBondContact ND2-OE2 3.31Å; N904-E906 PolarHBondContact O-N 3.31Å; N904-E906 PolarHBondContact OD1-N 2.89Å; N904-E906 VanDerWaalsContact OD1-N 3.09Å; N904-R907 WeakPolarHBondContact O-CB 3.13Å; N904-R907 PolarHBondContact O-N 3.34Å; N904-R907 VanDerWaalsContact O-N 3.1Å | ||
| 905 | S | 89.2 | Confident | 89.2 | Confident | 70 Ų | 70 | 49.9 Ų | 49.9 | 49% | 0.49 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -61.2 | -23.5 | -179.5 | 47.4 | 0 | 0 | 0 | 0 | 114.6 | E903 R907 Y908 | E903-S905 PolarHBondContact O-N 3.35Å; S905-R907 PolarHBondContact O-N 3.39Å; S905-Y908 VanDerWaalsContact CA-CE2 3.49Å; S905-Y908 WeakPolarHBondContact O-CB 3.22Å; S905-Y908 WeakPolarHBondContact O-CD2 3.41Å; S905-Y908 PolarHBondContact O-N 3.45Å |
| 906 | E | 88 | Confident | 89 | Confident | 124 Ų | 124 | 49.4 Ų | 49.4 | 58% | 0.579 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -60.3 | -29 | 175.1 | -68.4 | 173.3 | 160.1 | 0 | 0 | 112.3 | N904 Y908 L909 | N904-E906 PolarHBondContact ND2-OE2 3.31Å; N904-E906 PolarHBondContact O-N 3.31Å; N904-E906 PolarHBondContact OD1-N 2.89Å; N904-E906 VanDerWaalsContact OD1-N 3.09Å; E906-Y908 PolarHBondContact O-N 3.38Å; E906-L909 WeakPolarHBondContact O-CB 3.4Å; E906-L909 PolarHBondContact O-N 2.92Å; E906-L909 VanDerWaalsContact O-N 3.14Å |
| 907 | R | 91.7 | Very high | 88.9 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -65.1 | -20.6 | 176.9 | -69.2 | 174.6 | 59.4 | 171 | -0.7 | 113.1 | H882 A886 E903 N904 S905 L909 M917 S919 | H882-R907 PolarHBondContact CE1-NH1 3.5Å; H882-R907 PolarHBondContact ND1-NH1 3.26Å; H882-R907 PolarHBondContact ND1-NH2 3.13Å; A886-R907 VanDerWaalsContact CB-NH2 3.28Å; E903-R907 HydrophobicContact CG-CB 4.46Å; E903-R907 IonicContact OE1-CZ 3.22Å; E903-R907 IonicContact OE1-NE 2.92Å; N904-R907 WeakPolarHBondContact O-CB 3.13Å; N904-R907 PolarHBondContact O-N 3.34Å; N904-R907 VanDerWaalsContact O-N 3.1Å; S905-R907 PolarHBondContact O-N 3.39Å; R907-L909 VanDerWaalsContact C-N 3.31Å; R907-M917 HydrophobicContact CB-CB 4.03Å; R907-M917 HydrophobicContact CG-CB 4.02Å; R907-M917 PolarHBondContact NE-O 3.3Å; R907-M917 PolarHBondContact NH2-O 3.36Å; R907-S919 PolarHBondContact NH2-OG 3.27Å |
| 908 | Y | 90.2 | Very high | 88.8 | Confident | 39 Ų | 39 | 53.5 Ų | 53.5 | 15% | 0.153 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -79.1 | -19.8 | 179.5 | -46.4 | -24.9 | 0 | 0 | 0 | 112.1 | E903 S905 E906 S910 R918 N938 | E903-Y908 HydrophobicContact CB-CE1 4.33Å; E903-Y908 HydrophobicContact CG-CE1 3.97Å; E903-Y908 PolarHBondContact O-OH 3.17Å; E903-Y908 WeakPolarHBondContact OE1-CE1 3.27Å; S905-Y908 VanDerWaalsContact CA-CE2 3.49Å; S905-Y908 WeakPolarHBondContact O-CB 3.22Å; S905-Y908 WeakPolarHBondContact O-CD2 3.41Å; S905-Y908 PolarHBondContact O-N 3.45Å; E906-Y908 PolarHBondContact O-N 3.38Å; Y908-S910 VanDerWaalsContact C-N 3.31Å; Y908-R918 HydrophobicContact CD1-CG 4.07Å; Y908-N938 HydrophobicContact CD1-CB 4.23Å; Y908-N938 HydrophobicContact CD2-CB 4.18Å; Y908-N938 HydrophobicContact CE1-CB 4.38Å; Y908-N938 HydrophobicContact CE2-CB 4.33Å; Y908-N938 HydrophobicContact CG-CB 4.15Å |
| 909 | L | 85.4 | Confident | 88.8 | Confident | 133 Ų | 133 | 53.5 Ų | 53.5 | 70% | 0.696 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -81.3 | -11.7 | -174.9 | -59.8 | 175.5 | 0 | 0 | 0 | 113.1 | E906 R907 T911 | E906-L909 WeakPolarHBondContact O-CB 3.4Å; E906-L909 PolarHBondContact O-N 2.92Å; E906-L909 VanDerWaalsContact O-N 3.14Å; R907-L909 VanDerWaalsContact C-N 3.31Å; L909-T911 PolarHBondContact O-N 3.37Å; L909-T911 VanDerWaalsContact O-N 3.08Å |
| 910 | S | 79.7 | Confident | 88.9 | Confident | 33 Ų | 33 | 53.6 Ų | 53.6 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | trans | -64.3 | 113.2 | 179.6 | -170.5 | 0 | 0 | 0 | 0 | 110.2 | Y908 M915 | Y908-S910 VanDerWaalsContact C-N 3.31Å; S910-M915 WeakPolarHBondContact CB-O 3.31Å; S910-M915 PolarHBondContact OG-O 2.9Å | ||
| 911 | T | 75.3 | Confident | 89.2 | Confident | 138 Ų | 138 | 52.7 Ų | 52.7 | 85% | 0.847 | 29% | 0.286 | S | S | * | . | trans | -92.4 | -11.7 | 177.8 | 52.3 | 0 | 0 | 0 | 0 | 113.1 | L909 P913 | L909-T911 PolarHBondContact O-N 3.37Å; L909-T911 VanDerWaalsContact O-N 3.08Å; T911-P913 VanDerWaalsContact O-CD 3.28Å; T911-P913 WeakPolarHBondContact O-CD 3.46Å | ||
| 912 | D | 85 | Confident | 89.5 | Confident | 67 Ų | 67 | 52.7 Ų | 52.7 | 36% | 0.358 | 29% | 0.286 | S | S | . | . | trans | -76.7 | 115.4 | 176.4 | 178.3 | 5.5 | 0 | 0 | 0 | 109.9 | N914 M915 N916 | D912-N914 PolarHBondContact O-N 3.08Å; D912-N914 VanDerWaalsContact O-N 3.15Å; D912-N914 WeakPolarHBondContact OD1-CB 3.41Å; D912-N914 PolarHBondContact OD1-N 3.16Å; D912-M915 HydrophobicContact CB-CB 4.16Å; D912-M915 CarbonylContact O-C 3.5Å; D912-M915 VanDerWaalsContact O-C 3.3Å; D912-M915 PolarHBondContact O-N 3.07Å; D912-M915 WeakPolarHBondContact OD2-CG 3.38Å; D912-N916 PolarHBondContact O-N 2.74Å | ||
| 913 | P | 77.4 | Confident | 89.6 | Confident | 100 Ų | 100 | 52.9 Ų | 52.9 | 65% | 0.649 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -56.6 | -30.6 | 176.8 | -23.1 | 34.5 | 0 | 0 | 0 | 113.2 | T911 M915 | T911-P913 VanDerWaalsContact O-CD 3.28Å; T911-P913 WeakPolarHBondContact O-CD 3.46Å; P913-M915 VanDerWaalsContact C-N 3.34Å |
| 914 | N | 83 | Confident | 89.8 | Confident | 102 Ų | 102 | 52.3 Ų | 52.3 | 55% | 0.545 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -81 | -14.7 | 179.3 | -66.1 | -47.6 | 0 | 0 | 0 | 113.2 | K891 D912 | K891-N914 WeakPolarHBondContact CE-O 3.42Å; D912-N914 PolarHBondContact O-N 3.08Å; D912-N914 VanDerWaalsContact O-N 3.15Å; D912-N914 WeakPolarHBondContact OD1-CB 3.41Å; D912-N914 PolarHBondContact OD1-N 3.16Å |
| 915 | M | 88 | Confident | 90 | Very high | 93 Ų | 93 | 50.2 Ų | 50.2 | 46% | 0.458 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -126.3 | 34.1 | 177.9 | -68.9 | -63.1 | -67.6 | 0 | 0 | 110.7 | V887 S910 D912 P913 M917 | V887-M915 HydrophobicContact CG1-SD 4.23Å; S910-M915 WeakPolarHBondContact CB-O 3.31Å; S910-M915 PolarHBondContact OG-O 2.9Å; D912-M915 HydrophobicContact CB-CB 4.16Å; D912-M915 CarbonylContact O-C 3.5Å; D912-M915 VanDerWaalsContact O-C 3.3Å; D912-M915 PolarHBondContact O-N 3.07Å; D912-M915 WeakPolarHBondContact OD2-CG 3.38Å; P913-M915 VanDerWaalsContact C-N 3.34Å; M915-M917 PolarHBondContact O-N 3.24Å |
| 916 | N | 91.2 | Very high | 90.2 | Very high | 41 Ų | 41 | 47.8 Ų | 47.8 | 22% | 0.219 | 26% | 0.257 | C | S | . | . | trans | -68.5 | 104.7 | 174.5 | -175.4 | -6 | 0 | 0 | 0 | 109.7 | N890 D912 R918 | N890-N916 HydrophobicContact CB-CB 4.16Å; N890-N916 PolarHBondContact ND2-O 2.85Å; D912-N916 PolarHBondContact O-N 2.74Å; N916-R918 VanDerWaalsContact C-N 3.35Å; N916-R918 WeakPolarHBondContact OD1-CB 3.47Å; N916-R918 PolarHBondContact OD1-N 3.33Å | ||
| 917 | M | 93.8 | Very high | 90.5 | Very high | 48 Ų | 48 | 42.9 Ų | 42.9 | 24% | 0.236 | 24% | 0.24 | C | C | . | . | trans | -85.7 | -6.6 | -179.5 | -64.2 | -176.5 | -75.4 | 0 | 0 | 112.7 | T883 A886 V887 R907 M915 S919 | T883-M917 HydrophobicContact CG2-CB 4.04Å; T883-M917 HydrophobicContact CG2-CG 3.62Å; T883-M917 HydrophobicContact CG2-SD 3.67Å; A886-M917 WeakPolarHBondContact CB-O 3.46Å; V887-M917 HydrophobicContact CG2-CG 3.96Å; R907-M917 HydrophobicContact CB-CB 4.03Å; R907-M917 HydrophobicContact CG-CB 4.02Å; R907-M917 PolarHBondContact NE-O 3.3Å; R907-M917 PolarHBondContact NH2-O 3.36Å; M915-M917 PolarHBondContact O-N 3.24Å; M917-S919 PolarHBondContact O-N 2.78Å | ||
| 918 | R | 94.8 | Very high | 90.7 | Very high | 48 Ų | 48 | 45.9 Ų | 45.9 | 18% | 0.181 | 25% | 0.251 | C | S | . | . | trans | -69.8 | 129 | -176.1 | -175.6 | -160.9 | 70.3 | 151.2 | 5 | 110.9 | N890 E903 Y908 N916 N938 D940 | N890-R918 PolarHBondContact ND2-O 3.15Å; E903-R918 WeakPolarHBondContact OE1-CA 3.41Å; Y908-R918 HydrophobicContact CD1-CG 4.07Å; N916-R918 VanDerWaalsContact C-N 3.35Å; N916-R918 WeakPolarHBondContact OD1-CB 3.47Å; N916-R918 PolarHBondContact OD1-N 3.33Å; R918-N938 WeakPolarHBondContact CD-O 3.34Å; R918-D940 IonicContact CZ-OD1 2.74Å; R918-D940 IonicContact CZ-OD2 3.81Å; R918-D940 IonicContact NH1-OD1 3.62Å; R918-D940 PolarHBondContact NH1-OD1 3.09Å; R918-D940 IonicContact NH1-OD2 3.63Å; R918-D940 IonicContact NH2-OD1 3.05Å; R918-D940 PolarHBondContact NH2-OD1 3.21Å; R918-D940 VanDerWaalsContact NH2-OD1 3.11Å; R918-D940 IonicContact NH2-OD2 3.57Å; R918-D940 PolarHBondContact NH2-OD2 2.74Å | ||
| 919 | S | 96 | Very high | 90.9 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | trans | -75.5 | 128.5 | 169.7 | -32.9 | 0 | 0 | 0 | 0 | 110.6 | S896 E903 R907 M917 K922 | S896-S919 WeakPolarHBondContact OG-CA 3.26Å; E903-S919 PolarHBondContact OE1-N 3.41Å; E903-S919 WeakPolarHBondContact OE2-CB 3.48Å; E903-S919 PolarHBondContact OE2-N 3.21Å; E903-S919 PolarHBondContact OE2-OG 3.31Å; R907-S919 PolarHBondContact NH2-OG 3.27Å; M917-S919 PolarHBondContact O-N 2.78Å; S919-K922 PolarHBondContact O-NZ 3.14Å | ||
| 920 | A | 96.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -70.4 | -35.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | K895 S896 D940 E941 | K895-A920 HydrophobicContact CB-CB 4.19Å; K895-A920 HydrophobicContact CG-CB 4.12Å; S896-A920 PolarHBondContact O-N 2.74Å; A920-D940 PolarHBondContact O-N 3.49Å; A920-E941 PolarHBondContact O-N 2.95Å |
| 921 | I | 97.6 | Very high | 92 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.8 | 176.1 | -51.5 | 169.8 | 0 | 0 | 0 | 108.7 | A868 K895 S896 N897 T898 E941 Q943 | A868-I921 HydrophobicContact CB-CD1 4Å; K895-I921 HydrophobicContact CB-CD1 3.78Å; K895-I921 HydrophobicContact CB-CG1 3.95Å; K895-I921 HydrophobicContact CD-CD1 4.13Å; K895-I921 HydrophobicContact CD-CG1 4.07Å; S896-I921 WeakPolarHBondContact O-CB 3.4Å; S896-I921 PolarHBondContact O-N 3.49Å; N897-I921 WeakPolarHBondContact CA-O 3.18Å; N897-I921 HydrophobicContact CB-CB 4.04Å; N897-I921 HydrophobicContact CB-CG2 4.36Å; N897-I921 WeakPolarHBondContact ND2-CG2 3.44Å; T898-I921 PolarHBondContact N-O 2.66Å; T898-I921 VanDerWaalsContact N-O 3.08Å; I921-E941 WeakPolarHBondContact CA-O 3.48Å; I921-E941 HydrophobicContact CG1-CB 4.1Å; I921-E941 HydrophobicContact CG1-CG 4.47Å; I921-E941 HydrophobicContact CG2-CB 4.33Å; I921-E941 HydrophobicContact CG2-CG 4.22Å; I921-Q943 HydrophobicContact CG2-CB 3.89Å |
| 922 | K | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 123 | 179.2 | -66.4 | -128 | -163.5 | -62.3 | 0 | 109.7 | T898 E903 S919 Y935 N938 A939 E941 L942 Q943 | T898-K922 HydrophobicContact CG2-CB 4.47Å; T898-K922 HydrophobicContact CG2-CD 4.06Å; T898-K922 HydrophobicContact CG2-CG 4.03Å; E903-K922 VanDerWaalsContact CD-NZ 3.26Å; E903-K922 IonicContact OE1-NZ 3.53Å; E903-K922 PolarHBondContact OE1-NZ 3.44Å; E903-K922 IonicContact OE2-NZ 3.65Å; E903-K922 PolarHBondContact OE2-NZ 2.83Å; S919-K922 PolarHBondContact O-NZ 3.14Å; K922-Y935 WeakPolarHBondContact CA-OH 3.12Å; K922-Y935 HydrophobicContact CB-CD1 4.34Å; K922-Y935 HydrophobicContact CB-CE1 3.62Å; K922-Y935 HydrophobicContact CB-CE2 4.23Å; K922-Y935 WeakPolarHBondContact CB-OH 3.08Å; K922-Y935 HydrophobicContact CD-CD1 3.98Å; K922-Y935 HydrophobicContact CD-CD2 3.41Å; K922-Y935 VanDerWaalsContact CD-CD2 3.41Å; K922-Y935 HydrophobicContact CD-CE1 3.89Å; K922-Y935 HydrophobicContact CD-CE2 3.32Å; K922-Y935 HydrophobicContact CD-CG 3.73Å; K922-Y935 VanDerWaalsContact CD-O 3.25Å; K922-Y935 WeakPolarHBondContact CD-O 3.09Å; K922-Y935 VanDerWaalsContact CE-O 3.3Å; K922-Y935 WeakPolarHBondContact CE-O 3.43Å; K922-Y935 HydrophobicContact CG-CE1 4.39Å; K922-Y935 HydrophobicContact CG-CE2 4.27Å; K922-N938 VanDerWaalsContact CE-O 3.29Å; K922-N938 WeakPolarHBondContact CE-O 3.45Å; K922-A939 HydrophobicContact CB-CB 3.79Å; K922-A939 HydrophobicContact CD-CB 4.48Å; K922-A939 HydrophobicContact CG-CB 3.68Å; K922-E941 PolarHBondContact N-O 3.27Å; K922-L942 HydrophobicContact CB-CD2 4.07Å; K922-L942 WeakPolarHBondContact O-CA 2.89Å; K922-Q943 PolarHBondContact O-N 2.98Å |
| 923 | Q | 97 | Very high | 93.3 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 2% | 0.023 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 131.7 | -174.5 | -167 | 170.8 | 67.6 | 0 | 0 | 112.6 | T898 G899 E900 Y935 Q943 K945 | T898-Q923 PolarHBondContact OG1-N 2.83Å; T898-Q923 VanDerWaalsContact OG1-N 3.09Å; G899-Q923 VanDerWaalsContact CA-OE1 3.27Å; E900-Q923 VanDerWaalsContact N-OE1 3.07Å; Q923-Y935 PolarHBondContact N-OH 2.84Å; Q923-Y935 PolarHBondContact O-OH 2.89Å; Q923-Q943 CarbonylContact C-O 3.55Å; Q923-Q943 VanDerWaalsContact CA-O 3.32Å; Q923-Q943 WeakPolarHBondContact CA-O 3.28Å; Q923-Q943 WeakPolarHBondContact CG-O 3.42Å; Q923-K945 HydrophobicContact CG-CB 3.68Å |
| 924 | V | 97.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 103.9 | 170.7 | -177 | 0 | 0 | 0 | 0 | 107.2 | L936 Q943 I944 K945 H985 L1001 | V924-L936 HydrophobicContact CG2-CD2 4Å; V924-Q943 PolarHBondContact N-O 3.35Å; V924-I944 WeakPolarHBondContact O-CA 3.26Å; V924-K945 PolarHBondContact O-N 2.99Å; V924-H985 PolarHBondContact O-CE1 3.29Å; V924-H985 VanDerWaalsContact O-CE1 3.27Å; V924-L1001 HydrophobicContact CG2-CD1 4.24Å; V924-L1001 HydrophobicContact CG2-CD2 3.98Å |
| 925 | A | 95.2 | Very high | 94.7 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 5% | 0.05 | 18% | 0.182 | C | C | . | . | trans | -113.2 | 167.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E900 G927 R928 K945 | E900-A925 HydrophobicContact CB-CB 3.78Å; A925-G927 VanDerWaalsContact C-N 3.3Å; A925-G927 PolarHBondContact O-N 2.68Å; A925-G927 VanDerWaalsContact O-N 3.14Å; A925-R928 VanDerWaalsContact C-NH1 3.25Å; A925-R928 PolarHBondContact O-N 2.8Å; A925-R928 PolarHBondContact O-NH1 2.74Å; A925-K945 HydrophobicContact CB-CB 4.16Å; A925-K945 HydrophobicContact CB-CD 3.88Å | ||
| 926 | S | 94.4 | Very high | 95.1 | Very high | 19 Ų | 19 | 27.7 Ų | 27.7 | 13% | 0.133 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -42.4 | -173 | 55.6 | 0 | 0 | 0 | 0 | 114.9 | R928 S981 P982 P984 H985 | S926-R928 VanDerWaalsContact C-N 3.25Å; S926-R928 PolarHBondContact O-N 3.36Å; S926-S981 WeakPolarHBondContact OG-CB 3.16Å; S926-P982 WeakPolarHBondContact CB-O 3.4Å; S926-P982 PolarHBondContact OG-O 2.87Å; S926-P984 WeakPolarHBondContact CB-O 3.25Å; S926-H985 PolarHBondContact N-NE2 3.38Å |
| 927 | G | 93.5 | Very high | 95.3 | Very high | 22 Ų | 22 | 28.5 Ų | 28.5 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -12.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A925 F929 | A925-G927 VanDerWaalsContact C-N 3.3Å; A925-G927 PolarHBondContact O-N 2.68Å; A925-G927 VanDerWaalsContact O-N 3.14Å; G927-F929 PolarHBondContact O-N 3.23Å |
| 928 | R | 95.7 | Very high | 95.4 | Very high | 66 Ų | 66 | 28.8 Ų | 28.8 | 25% | 0.249 | 18% | 0.181 | C | C | . | . | trans | 49.5 | 27.3 | -176.2 | -61.3 | -65.1 | -173.9 | -78.7 | 2.4 | 114.5 | A925 S926 G930 V931 H985 D987 | A925-R928 VanDerWaalsContact C-NH1 3.25Å; A925-R928 PolarHBondContact O-N 2.8Å; A925-R928 PolarHBondContact O-NH1 2.74Å; S926-R928 VanDerWaalsContact C-N 3.25Å; S926-R928 PolarHBondContact O-N 3.36Å; R928-G930 PolarHBondContact O-N 3.21Å; R928-V931 HydrophobicContact CB-CB 4.41Å; R928-V931 HydrophobicContact CB-CG2 4.39Å; R928-V931 PolarHBondContact O-N 2.71Å; R928-V931 VanDerWaalsContact O-N 3.16Å; R928-H985 PolarHBondContact NH1-CE1 3.12Å; R928-H985 PolarHBondContact NH1-ND1 3Å; R928-H985 PolarHBondContact NH2-ND1 3.47Å; R928-D987 IonicContact CZ-OD1 3.46Å; R928-D987 IonicContact CZ-OD2 3.64Å; R928-D987 IonicContact NE-OD2 2.84Å; R928-D987 IonicContact NH2-OD1 2.72Å; R928-D987 PolarHBondContact NH2-OD1 3.35Å; R928-D987 IonicContact NH2-OD2 2.81Å; R928-D987 PolarHBondContact NH2-OD2 2.76Å | ||
| 929 | F | 94 | Very high | 95.4 | Very high | 35 Ų | 35 | 26.7 Ų | 26.7 | 15% | 0.154 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 124.2 | -178.1 | -61.2 | -52 | 0 | 0 | 0 | 111.2 | E900 G902 G927 V931 R971 L979 S981 | E900-F929 WeakPolarHBondContact O-CB 3.3Å; G902-F929 PolarHBondContact N-O 3.37Å; G927-F929 PolarHBondContact O-N 3.23Å; F929-V931 PolarHBondContact O-N 2.8Å; F929-V931 VanDerWaalsContact O-N 3.15Å; F929-R971 HydrophobicContact CB-CB 3.99Å; F929-R971 HydrophobicContact CB-CG 3.91Å; F929-R971 HydrophobicContact CD1-CB 4.14Å; F929-R971 HydrophobicContact CG-CB 4.23Å; F929-R971 HydrophobicContact CG-CG 4.31Å; F929-L979 HydrophobicContact CE1-CD1 4.17Å; F929-L979 HydrophobicContact CE1-CD2 4.01Å; F929-L979 HydrophobicContact CE2-CB 4.3Å; F929-L979 HydrophobicContact CE2-CD1 4.37Å; F929-L979 HydrophobicContact CZ-CB 3.98Å; F929-L979 HydrophobicContact CZ-CD1 4.03Å; F929-L979 HydrophobicContact CZ-CD2 3.93Å; F929-L979 HydrophobicContact CZ-CG 4.18Å; F929-S981 VanDerWaalsContact CE2-OG 3.3Å; F929-S981 WeakPolarHBondContact CE2-OG 3.46Å |
| 930 | G | 92 | Very high | 95.4 | Very high | 10 Ų | 10 | 30.2 Ų | 30.2 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 7.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R928 T932 T970 | R928-G930 PolarHBondContact O-N 3.21Å; G930-T932 PolarHBondContact O-N 3.05Å; G930-T970 WeakPolarHBondContact CA-O 3.34Å |
| 931 | V | 96 | Very high | 95.5 | Very high | 37 Ų | 37 | 30.1 Ų | 30.1 | 22% | 0.224 | 19% | 0.192 | C | C | . | . | trans | -76.8 | 106.4 | 177.1 | -177 | 0 | 0 | 0 | 0 | 108.9 | R928 F929 Y935 L936 | R928-V931 HydrophobicContact CB-CB 4.41Å; R928-V931 HydrophobicContact CB-CG2 4.39Å; R928-V931 PolarHBondContact O-N 2.71Å; R928-V931 VanDerWaalsContact O-N 3.16Å; F929-V931 PolarHBondContact O-N 2.8Å; F929-V931 VanDerWaalsContact O-N 3.15Å; V931-Y935 HydrophobicContact CG1-CD1 4.44Å; V931-Y935 HydrophobicContact CG2-CE1 4.3Å; V931-L936 HydrophobicContact CG1-CD1 4.32Å; V931-L936 HydrophobicContact CG1-CD2 3.99Å; V931-L936 HydrophobicContact CG1-CG 4.21Å | ||
| 932 | T | 94.9 | Very high | 95.5 | Very high | 62 Ų | 62 | 30.1 Ų | 30.1 | 38% | 0.38 | 19% | 0.192 | S | C | . | . | trans | -131.3 | 164.4 | -178.5 | 61.5 | 0 | 0 | 0 | 0 | 110.3 | G930 A934 Y935 L936 | G930-T932 PolarHBondContact O-N 3.05Å; T932-A934 VanDerWaalsContact C-N 3.26Å; T932-A934 PolarHBondContact O-N 2.95Å; T932-Y935 WeakPolarHBondContact O-CB 3.49Å; T932-Y935 PolarHBondContact O-N 2.87Å; T932-Y935 VanDerWaalsContact O-N 3.08Å; T932-Y935 WeakPolarHBondContact OG1-CB 3.28Å; T932-Y935 PolarHBondContact OG1-N 3.03Å; T932-L936 WeakPolarHBondContact O-CG 2.9Å; T932-L936 PolarHBondContact O-N 3.01Å | ||
| 933 | S | 94.3 | Very high | 95.6 | Very high | 107 Ų | 107 | 30.2 Ų | 30.2 | 75% | 0.748 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -57.1 | -40.2 | 176.9 | -48.3 | 0 | 0 | 0 | 0 | 112.4 | L936 A937 | S933-L936 PolarHBondContact O-N 2.91Å; S933-A937 VanDerWaalsContact O-CB 3.3Å; S933-A937 WeakPolarHBondContact O-CB 3.4Å; S933-A937 PolarHBondContact O-N 3.11Å |
| 934 | A | 93.5 | Very high | 95.6 | Very high | 51 Ų | 51 | 30 Ų | 30 | 42% | 0.421 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.8 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T932 N938 | T932-A934 VanDerWaalsContact C-N 3.26Å; T932-A934 PolarHBondContact O-N 2.95Å; A934-N938 WeakPolarHBondContact O-CB 3.37Å; A934-N938 PolarHBondContact O-N 2.89Å; A934-N938 PolarHBondContact O-ND2 3.44Å |
| 935 | Y | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.5 | -49.3 | 174.3 | 172.3 | -88 | 0 | 0 | 0 | 111.1 | T898 E903 K922 Q923 V931 T932 A937 N938 | T898-Y935 HydrophobicContact CG2-CE2 4.05Å; T898-Y935 PolarHBondContact OG1-OH 3.1Å; E903-Y935 HydrophobicContact CB-CD2 4.21Å; E903-Y935 HydrophobicContact CB-CE2 4.14Å; K922-Y935 WeakPolarHBondContact CA-OH 3.12Å; K922-Y935 HydrophobicContact CB-CD1 4.34Å; K922-Y935 HydrophobicContact CB-CE1 3.62Å; K922-Y935 HydrophobicContact CB-CE2 4.23Å; K922-Y935 WeakPolarHBondContact CB-OH 3.08Å; K922-Y935 HydrophobicContact CD-CD1 3.98Å; K922-Y935 HydrophobicContact CD-CD2 3.41Å; K922-Y935 VanDerWaalsContact CD-CD2 3.41Å; K922-Y935 HydrophobicContact CD-CE1 3.89Å; K922-Y935 HydrophobicContact CD-CE2 3.32Å; K922-Y935 HydrophobicContact CD-CG 3.73Å; K922-Y935 VanDerWaalsContact CD-O 3.25Å; K922-Y935 WeakPolarHBondContact CD-O 3.09Å; K922-Y935 VanDerWaalsContact CE-O 3.3Å; K922-Y935 WeakPolarHBondContact CE-O 3.43Å; K922-Y935 HydrophobicContact CG-CE1 4.39Å; K922-Y935 HydrophobicContact CG-CE2 4.27Å; Q923-Y935 PolarHBondContact N-OH 2.84Å; Q923-Y935 PolarHBondContact O-OH 2.89Å; V931-Y935 HydrophobicContact CG1-CD1 4.44Å; V931-Y935 HydrophobicContact CG2-CE1 4.3Å; T932-Y935 WeakPolarHBondContact O-CB 3.49Å; T932-Y935 PolarHBondContact O-N 2.87Å; T932-Y935 VanDerWaalsContact O-N 3.08Å; T932-Y935 WeakPolarHBondContact OG1-CB 3.28Å; T932-Y935 PolarHBondContact OG1-N 3.03Å; Y935-A937 PolarHBondContact O-N 3.41Å; Y935-N938 PolarHBondContact O-N 2.91Å |
| 936 | L | 97.2 | Very high | 95.5 | Very high | 21 Ų | 21 | 32 Ų | 32 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.1 | -38.9 | -179.7 | -64 | 176.6 | 0 | 0 | 0 | 112.7 | V924 V931 T932 S933 N938 A939 L942 L1001 A1004 N1005 | V924-L936 HydrophobicContact CG2-CD2 4Å; V931-L936 HydrophobicContact CG1-CD1 4.32Å; V931-L936 HydrophobicContact CG1-CD2 3.99Å; V931-L936 HydrophobicContact CG1-CG 4.21Å; T932-L936 WeakPolarHBondContact O-CG 2.9Å; T932-L936 PolarHBondContact O-N 3.01Å; S933-L936 PolarHBondContact O-N 2.91Å; L936-N938 VanDerWaalsContact C-N 3.3Å; L936-N938 PolarHBondContact O-N 2.79Å; L936-A939 WeakPolarHBondContact O-CB 3.26Å; L936-L942 HydrophobicContact CD2-CD1 4.28Å; L936-L942 HydrophobicContact CD2-CD2 3.58Å; L936-L1001 HydrophobicContact CD1-CD2 4.28Å; L936-L1001 HydrophobicContact CD2-CD2 3.95Å; L936-A1004 HydrophobicContact CB-CB 4.48Å; L936-A1004 HydrophobicContact CD1-CB 4.02Å; L936-N1005 PolarHBondContact O-ND2 3.04Å |
| 937 | A | 95.1 | Very high | 95.4 | Very high | 59 Ų | 59 | 31.2 Ų | 31.2 | 49% | 0.488 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68.7 | -26.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S933 Y935 A939 N1005 | S933-A937 VanDerWaalsContact O-CB 3.3Å; S933-A937 WeakPolarHBondContact O-CB 3.4Å; S933-A937 PolarHBondContact O-N 3.11Å; Y935-A937 PolarHBondContact O-N 3.41Å; A937-A939 VanDerWaalsContact C-N 3.31Å; A937-A939 PolarHBondContact O-N 3.04Å; A937-N1005 PolarHBondContact O-ND2 3.4Å |
| 938 | N | 94.6 | Very high | 95.3 | Very high | 53 Ų | 53 | 31.5 Ų | 31.5 | 28% | 0.283 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 31.4 | -180 | -75.7 | -79 | 0 | 0 | 0 | 112.9 | Y908 R918 K922 A934 Y935 L936 | Y908-N938 HydrophobicContact CD1-CB 4.23Å; Y908-N938 HydrophobicContact CD2-CB 4.18Å; Y908-N938 HydrophobicContact CE1-CB 4.38Å; Y908-N938 HydrophobicContact CE2-CB 4.33Å; Y908-N938 HydrophobicContact CG-CB 4.15Å; R918-N938 WeakPolarHBondContact CD-O 3.34Å; K922-N938 VanDerWaalsContact CE-O 3.29Å; K922-N938 WeakPolarHBondContact CE-O 3.45Å; A934-N938 WeakPolarHBondContact O-CB 3.37Å; A934-N938 PolarHBondContact O-N 2.89Å; A934-N938 PolarHBondContact O-ND2 3.44Å; Y935-N938 PolarHBondContact O-N 2.91Å; L936-N938 VanDerWaalsContact C-N 3.3Å; L936-N938 PolarHBondContact O-N 2.79Å |
| 939 | A | 95.8 | Very high | 95 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | trans | -115.4 | 139.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K922 L936 A937 L942 N1005 | K922-A939 HydrophobicContact CB-CB 3.79Å; K922-A939 HydrophobicContact CD-CB 4.48Å; K922-A939 HydrophobicContact CG-CB 3.68Å; L936-A939 WeakPolarHBondContact O-CB 3.26Å; A937-A939 VanDerWaalsContact C-N 3.31Å; A937-A939 PolarHBondContact O-N 3.04Å; A939-L942 HydrophobicContact CB-CD2 3.53Å; A939-L942 HydrophobicContact CB-CG 4.04Å; A939-N1005 PolarHBondContact O-ND2 3.47Å | ||
| 940 | D | 96.1 | Very high | 94.8 | Very high | 74 Ų | 74 | 26.8 Ų | 26.8 | 40% | 0.396 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -88.3 | -23.9 | 166.2 | -54.5 | -19.9 | 0 | 0 | 0 | 110.1 | R918 A920 A1008 R1009 | R918-D940 IonicContact CZ-OD1 2.74Å; R918-D940 IonicContact CZ-OD2 3.81Å; R918-D940 IonicContact NH1-OD1 3.62Å; R918-D940 PolarHBondContact NH1-OD1 3.09Å; R918-D940 IonicContact NH1-OD2 3.63Å; R918-D940 IonicContact NH2-OD1 3.05Å; R918-D940 PolarHBondContact NH2-OD1 3.21Å; R918-D940 VanDerWaalsContact NH2-OD1 3.11Å; R918-D940 IonicContact NH2-OD2 3.57Å; R918-D940 PolarHBondContact NH2-OD2 2.74Å; A920-D940 PolarHBondContact O-N 3.49Å; D940-A1008 WeakPolarHBondContact O-CA 3.46Å; D940-R1009 PolarHBondContact O-N 3.29Å |
| 941 | E | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 134.7 | 175.4 | -179.6 | 172 | 147.2 | 0 | 0 | 110.6 | K895 A920 I921 K922 R1009 S1011 H1034 | K895-E941 IonicContact NZ-OE2 3.97Å; K895-E941 PolarHBondContact NZ-OE2 3.27Å; A920-E941 PolarHBondContact O-N 2.95Å; I921-E941 WeakPolarHBondContact CA-O 3.48Å; I921-E941 HydrophobicContact CG1-CB 4.1Å; I921-E941 HydrophobicContact CG1-CG 4.47Å; I921-E941 HydrophobicContact CG2-CB 4.33Å; I921-E941 HydrophobicContact CG2-CG 4.22Å; K922-E941 PolarHBondContact N-O 3.27Å; E941-R1009 CarbonylContact C-O 3.6Å; E941-R1009 VanDerWaalsContact CA-O 3.26Å; E941-R1009 WeakPolarHBondContact CA-O 3.49Å; E941-R1009 HydrophobicContact CB-CB 4.35Å; E941-R1009 HydrophobicContact CG-CB 4.23Å; E941-R1009 WeakPolarHBondContact CG-O 3.49Å; E941-R1009 IonicContact OE2-CZ 3.74Å; E941-R1009 IonicContact OE2-NE 2.73Å; E941-R1009 PolarHBondContact OE2-NE 2.62Å; E941-R1009 IonicContact OE2-NH2 3.04Å; E941-R1009 PolarHBondContact OE2-NH2 3.35Å; E941-S1011 WeakPolarHBondContact OE1-CB 3.44Å; E941-S1011 PolarHBondContact OE1-OG 3.28Å; E941-H1034 IonicContact OE1-CE1 3.75Å; E941-H1034 PolarHBondContact OE1-CE1 3.04Å; E941-H1034 IonicContact OE1-CG 2.67Å; E941-H1034 IonicContact OE1-ND1 2.66Å; E941-H1034 PolarHBondContact OE1-ND1 3.48Å |
| 942 | L | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 115.9 | 175.5 | -67.4 | 171.8 | 0 | 0 | 0 | 108.6 | K922 L936 A939 L1001 N1005 A1008 R1009 I1010 S1011 | K922-L942 HydrophobicContact CB-CD2 4.07Å; K922-L942 WeakPolarHBondContact O-CA 2.89Å; L936-L942 HydrophobicContact CD2-CD1 4.28Å; L936-L942 HydrophobicContact CD2-CD2 3.58Å; A939-L942 HydrophobicContact CB-CD2 3.53Å; A939-L942 HydrophobicContact CB-CG 4.04Å; L942-L1001 HydrophobicContact CB-CD1 4.47Å; L942-L1001 HydrophobicContact CD1-CB 4Å; L942-L1001 HydrophobicContact CD1-CD2 4.34Å; L942-N1005 HydrophobicContact CD1-CB 4.24Å; L942-A1008 HydrophobicContact CD1-CB 3.96Å; L942-A1008 HydrophobicContact CG-CB 3.9Å; L942-R1009 PolarHBondContact N-O 3.2Å; L942-I1010 HydrophobicContact CB-CD1 3.94Å; L942-I1010 HydrophobicContact CD1-CD1 4.08Å; L942-S1011 PolarHBondContact O-N 2.89Å |
| 943 | Q | 98.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 110.8 | -178.4 | -177.2 | 175.6 | 81.9 | 0 | 0 | 111.3 | N897 I921 K922 Q923 V924 K945 S1011 K1013 T1036 | N897-Q943 PolarHBondContact ND2-OE1 2.65Å; I921-Q943 HydrophobicContact CG2-CB 3.89Å; K922-Q943 PolarHBondContact O-N 2.98Å; Q923-Q943 CarbonylContact C-O 3.55Å; Q923-Q943 VanDerWaalsContact CA-O 3.32Å; Q923-Q943 WeakPolarHBondContact CA-O 3.28Å; Q923-Q943 WeakPolarHBondContact CG-O 3.42Å; V924-Q943 PolarHBondContact N-O 3.35Å; Q943-K945 PolarHBondContact O-N 3.08Å; Q943-S1011 CarbonylContact C-O 2.79Å; Q943-S1011 WeakPolarHBondContact CA-O 3.44Å; Q943-S1011 PolarHBondContact NE2-OG 2.72Å; Q943-K1013 HydrophobicContact CG-CB 4.04Å; Q943-T1036 PolarHBondContact NE2-OG1 3.46Å |
| 944 | I | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 114.5 | 167.7 | -56 | 172 | 0 | 0 | 0 | 107.8 | V924 L946 I988 L994 L997 I998 L1001 I1010 S1011 V1012 K1013 | V924-I944 WeakPolarHBondContact O-CA 3.26Å; I944-L946 HydrophobicContact CG2-CD2 3.72Å; I944-L946 HydrophobicContact CG2-CG 4.46Å; I944-L946 PolarHBondContact O-N 2.89Å; I944-I988 HydrophobicContact CG2-CD1 4.01Å; I944-L994 HydrophobicContact CD1-CD1 3.76Å; I944-L994 HydrophobicContact CG2-CD1 4.21Å; I944-L997 HydrophobicContact CD1-CD2 3.96Å; I944-L997 HydrophobicContact CD1-CG 4.08Å; I944-L997 HydrophobicContact CG1-CD2 4.12Å; I944-L997 HydrophobicContact CG2-CD2 4.01Å; I944-I998 HydrophobicContact CD1-CG1 3.65Å; I944-L1001 HydrophobicContact CD1-CD1 3.87Å; I944-L1001 HydrophobicContact CG1-CD1 3.58Å; I944-I1010 HydrophobicContact CD1-CG2 4.16Å; I944-S1011 PolarHBondContact N-O 3.44Å; I944-V1012 HydrophobicContact CB-CG2 4.46Å; I944-V1012 HydrophobicContact CD1-CG2 4.35Å; I944-K1013 PolarHBondContact O-N 3.35Å |
| 945 | K | 95.8 | Very high | 93.6 | Very high | 18 Ų | 18 | 16.2 Ų | 16.2 | 8% | 0.078 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 95.5 | 178.3 | -179.4 | -157.1 | 172.8 | 175.4 | 0 | 110.1 | E900 Q923 V924 A925 Q943 Q948 H985 | E900-K945 IonicContact OE2-NZ 2.7Å; E900-K945 PolarHBondContact OE2-NZ 3.29Å; Q923-K945 HydrophobicContact CG-CB 3.68Å; V924-K945 PolarHBondContact O-N 2.99Å; A925-K945 HydrophobicContact CB-CB 4.16Å; A925-K945 HydrophobicContact CB-CD 3.88Å; Q943-K945 PolarHBondContact O-N 3.08Å; K945-Q948 VanDerWaalsContact CE-OE1 3.3Å; K945-H985 PolarHBondContact O-NE2 2.69Å |
| 946 | L | 94.2 | Very high | 93.1 | Very high | 30 Ų | 30 | 16.3 Ų | 16.3 | 16% | 0.157 | 10% | 0.099 | C | C | . | . | trans | -77.1 | -42.3 | 171.6 | -68.2 | -149.8 | 0 | 0 | 0 | 112.3 | V513 I944 I988 V1012 K1013 L1014 | V513-L946 HydrophobicContact CB-CD1 4.05Å; V513-L946 HydrophobicContact CG2-CD1 3.27Å; I944-L946 HydrophobicContact CG2-CD2 3.72Å; I944-L946 HydrophobicContact CG2-CG 4.46Å; I944-L946 PolarHBondContact O-N 2.89Å; L946-I988 HydrophobicContact CD2-CD1 3.62Å; L946-V1012 HydrophobicContact CG-CG1 4.35Å; L946-K1013 PolarHBondContact N-O 3.02Å; L946-L1014 HydrophobicContact CD1-CD2 4.39Å | ||
| 947 | A | 92.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 3% | 0.033 | 10% | 0.104 | C | C | . | . | trans | -149.2 | 168.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F510 P952 K1013 V1015 | F510-A947 HydrophobicContact CE2-CB 4.48Å; A947-P952 HydrophobicContact CB-CB 4.16Å; A947-K1013 PolarHBondContact N-O 3.14Å; A947-V1015 HydrophobicContact CB-CB 4.17Å; A947-V1015 HydrophobicContact CB-CG2 3.46Å; A947-V1015 VanDerWaalsContact CB-CG2 3.46Å | ||
| 948 | Q | 91.4 | Very high | 92.4 | Very high | 27 Ų | 27 | 15 Ų | 15 | 13% | 0.126 | 8% | 0.082 | C | C | . | . | trans | -136.4 | 147.7 | 171.6 | 64.3 | 175.9 | 58 | 0 | 0 | 110.7 | K945 A950 K951 P952 T1044 | K945-Q948 VanDerWaalsContact CE-OE1 3.3Å; Q948-A950 PolarHBondContact O-N 3.17Å; Q948-K951 HydrophobicContact CG-CG 3.81Å; Q948-K951 VanDerWaalsContact NE2-CE 3.29Å; Q948-K951 VanDerWaalsContact NE2-CG 3.29Å; Q948-K951 CarbonylContact O-C 3.42Å; Q948-K951 PolarHBondContact O-N 3.29Å; Q948-K951 VanDerWaalsContact O-N 3.12Å; Q948-P952 WeakPolarHBondContact O-CD 3.45Å; Q948-P952 VanDerWaalsContact O-N 3.08Å; Q948-T1044 PolarHBondContact NE2-OG1 3.32Å | ||
| 949 | G | 89.9 | Confident | 92.1 | Very high | 3 Ų | 3 | 14 Ų | 14 | 3% | 0.031 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -44.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | K951 P952 G1039 | G949-K951 VanDerWaalsContact C-N 3.29Å; G949-K951 PolarHBondContact O-N 3.31Å; G949-P952 WeakPolarHBondContact O-CD 3.3Å; G949-G1039 WeakPolarHBondContact CA-O 3.45Å |
| 950 | A | 90.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -15.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q948 G1042 T1044 G1051 I1052 | Q948-A950 PolarHBondContact O-N 3.17Å; A950-G1042 WeakPolarHBondContact CB-O 3.4Å; A950-T1044 HydrophobicContact CB-CG2 3.63Å; A950-G1051 CarbonylContact O-C 3.55Å; A950-G1051 VanDerWaalsContact O-O 3.12Å; A950-I1052 HydrophobicContact CB-CG1 4.41Å; A950-I1052 WeakPolarHBondContact O-CA 3.39Å; A950-I1052 PolarHBondContact O-N 2.81Å |
| 951 | K | 92.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 1% | 0.013 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -162.3 | 63.8 | -178.5 | 51.5 | 164.6 | 171.2 | -170.6 | 0 | 112.2 | Q948 G949 E954 G955 A1046 S1047 | Q948-K951 HydrophobicContact CG-CG 3.81Å; Q948-K951 VanDerWaalsContact NE2-CE 3.29Å; Q948-K951 VanDerWaalsContact NE2-CG 3.29Å; Q948-K951 CarbonylContact O-C 3.42Å; Q948-K951 PolarHBondContact O-N 3.29Å; Q948-K951 VanDerWaalsContact O-N 3.12Å; G949-K951 VanDerWaalsContact C-N 3.29Å; G949-K951 PolarHBondContact O-N 3.31Å; K951-E954 HydrophobicContact CB-CB 4.13Å; K951-E954 HydrophobicContact CB-CG 4.48Å; K951-E954 HydrophobicContact CD-CB 4.3Å; K951-E954 PolarHBondContact O-N 2.89Å; K951-G955 WeakPolarHBondContact CD-O 3.39Å; K951-G955 WeakPolarHBondContact CE-O 3.33Å; K951-G955 PolarHBondContact NZ-O 3.45Å; K951-A1046 WeakPolarHBondContact CE-O 3.49Å; K951-A1046 PolarHBondContact NZ-O 2.9Å; K951-S1047 WeakPolarHBondContact CB-OG 3.17Å |
| 952 | P | 91.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 148.5 | 177.2 | 34.4 | -37.7 | 0 | 0 | 0 | 110.2 | F510 A947 Q948 G949 E954 V1015 | F510-P952 HydrophobicContact CB-CB 4.43Å; F510-P952 HydrophobicContact CD1-CB 3.45Å; F510-P952 VanDerWaalsContact CD1-CB 3.45Å; F510-P952 HydrophobicContact CD1-CG 3.32Å; F510-P952 HydrophobicContact CD2-CB 3.59Å; F510-P952 HydrophobicContact CD2-CG 4.41Å; F510-P952 HydrophobicContact CE1-CB 3.47Å; F510-P952 VanDerWaalsContact CE1-CB 3.47Å; F510-P952 HydrophobicContact CE1-CG 3.36Å; F510-P952 HydrophobicContact CE2-CB 3.59Å; F510-P952 HydrophobicContact CE2-CG 4.42Å; F510-P952 HydrophobicContact CG-CB 3.52Å; F510-P952 HydrophobicContact CG-CG 3.89Å; F510-P952 HydrophobicContact CZ-CB 3.55Å; F510-P952 HydrophobicContact CZ-CG 3.95Å; A947-P952 HydrophobicContact CB-CB 4.16Å; Q948-P952 WeakPolarHBondContact O-CD 3.45Å; Q948-P952 VanDerWaalsContact O-N 3.08Å; G949-P952 WeakPolarHBondContact O-CD 3.3Å; P952-E954 PolarHBondContact O-N 3.29Å; P952-V1015 HydrophobicContact CB-CB 4.22Å; P952-V1015 HydrophobicContact CB-CG1 4.1Å; P952-V1015 HydrophobicContact CB-CG2 4.21Å; P952-V1015 HydrophobicContact CG-CG1 4.37Å |
| 953 | G | 87.3 | Confident | 91.2 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 6% | 0.062 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 10.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 954 | E | 90.4 | Very high | 91 | Very high | 26 Ų | 26 | 26.7 Ų | 26.7 | 12% | 0.121 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -127.1 | 158 | 178.3 | -60.9 | 179.5 | -150.7 | 0 | 0 | 112.2 | K716 K720 K951 P952 | K716-E954 WeakPolarHBondContact CE-OE1 3.25Å; K716-E954 WeakPolarHBondContact CE-OE2 3.5Å; K716-E954 IonicContact NZ-OE1 3.24Å; K716-E954 IonicContact NZ-OE2 2.69Å; K716-E954 PolarHBondContact NZ-OE2 2.96Å; K720-E954 WeakPolarHBondContact CE-OE1 3.38Å; K720-E954 HydrophobicContact CG-CG 4.29Å; K720-E954 IonicContact NZ-OE1 3.51Å; K720-E954 PolarHBondContact NZ-OE1 2.96Å; K720-E954 VanDerWaalsContact NZ-OE1 3.14Å; K951-E954 HydrophobicContact CB-CB 4.13Å; K951-E954 HydrophobicContact CB-CG 4.48Å; K951-E954 HydrophobicContact CD-CB 4.3Å; K951-E954 PolarHBondContact O-N 2.89Å; P952-E954 PolarHBondContact O-N 3.29Å |
| 955 | G | 82.9 | Confident | 90.8 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 9% | 0.093 | 16% | 0.162 | C | C | . | . | trans | -76.7 | 157.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K951 S981 | K951-G955 WeakPolarHBondContact CD-O 3.39Å; K951-G955 WeakPolarHBondContact CE-O 3.33Å; K951-G955 PolarHBondContact NZ-O 3.45Å; G955-S981 WeakPolarHBondContact CA-O 3.01Å | ||
| 956 | G | 85.8 | Confident | 90.7 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | trans | -51.7 | 143.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E900 I980 S981 | E900-G956 VanDerWaalsContact OE1-CA 3.25Å; E900-G956 WeakPolarHBondContact OE1-CA 3.25Å; E900-G956 WeakPolarHBondContact OE2-CA 3.44Å; G956-I980 CarbonylContact O-C 3.56Å; G956-I980 WeakPolarHBondContact O-CA 3.37Å; G956-S981 PolarHBondContact O-N 2.74Å | ||
| 957 | E | 87.8 | Confident | 90.7 | Very high | 47 Ų | 47 | 35.4 Ų | 35.4 | 22% | 0.22 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 125.1 | -180 | -175.3 | 169.3 | -166.3 | 0 | 0 | 108.5 | L483 L979 I980 A1046 | L483-E957 WeakPolarHBondContact CD1-OE1 3.32Å; E957-L979 WeakPolarHBondContact CA-O 3.3Å; E957-I980 HydrophobicContact CG-CG1 4.25Å; E957-A1046 HydrophobicContact CB-CB 4.46Å |
| 958 | L | 90.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 114.1 | 174.9 | -173.1 | 64.7 | 0 | 0 | 0 | 109.2 | G875 K962 I963 I967 L979 | G875-L958 WeakPolarHBondContact O-CD1 3.15Å; L958-K962 HydrophobicContact CD1-CB 3.91Å; L958-K962 HydrophobicContact CD1-CD 4.09Å; L958-K962 HydrophobicContact CG-CB 4.3Å; L958-I963 HydrophobicContact CB-CD1 4.45Å; L958-I963 HydrophobicContact CD2-CD1 4.12Å; L958-I963 HydrophobicContact CD2-CG1 3.55Å; L958-I963 HydrophobicContact CG-CD1 4.2Å; L958-I963 HydrophobicContact CG-CG1 3.9Å; L958-I967 HydrophobicContact CD2-CG2 4.09Å; L958-L979 HydrophobicContact CB-CB 4.44Å; L958-L979 PolarHBondContact N-O 3.45Å; L958-L979 PolarHBondContact O-N 3.37Å |
| 959 | P | 89 | Confident | 91 | Very high | 31 Ų | 31 | 38.4 Ų | 38.4 | 20% | 0.201 | 20% | 0.199 | C | C | . | . | trans | -57.7 | 144.3 | 178.8 | -26.6 | 34.9 | 0 | 0 | 0 | 112.7 | Y961 K962 | P959-Y961 VanDerWaalsContact C-N 3.29Å; P959-Y961 HydrophobicContact CB-CD1 3.67Å; P959-Y961 HydrophobicContact CB-CE1 3.24Å; P959-Y961 HydrophobicContact CG-CE1 4.04Å; P959-Y961 PolarHBondContact O-N 3.09Å; P959-K962 PolarHBondContact O-N 2.98Å | ||
| 960 | G | 90.6 | Very high | 91.2 | Very high | 16 Ų | 16 | 39.1 Ų | 39.1 | 17% | 0.165 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -55.3 | -40.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K962 I963 G976 | G960-K962 PolarHBondContact O-N 2.84Å; G960-K962 VanDerWaalsContact O-N 3.15Å; G960-I963 PolarHBondContact O-N 3.34Å; G960-G976 CarbonylContact C-O 3.58Å; G960-G976 WeakPolarHBondContact CA-O 3.45Å; G960-G976 CarbonylContact O-C 3.55Å; G960-G976 WeakPolarHBondContact O-CA 3.38Å |
| 961 | Y | 91.6 | Very high | 91.4 | Very high | 196 Ų | 196 | 39.4 Ų | 39.4 | 77% | 0.769 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -65.8 | -16.6 | 179.7 | 68.1 | -95.6 | 0 | 0 | 0 | 113.9 | P959 | P959-Y961 VanDerWaalsContact C-N 3.29Å; P959-Y961 HydrophobicContact CB-CD1 3.67Å; P959-Y961 HydrophobicContact CB-CE1 3.24Å; P959-Y961 HydrophobicContact CG-CE1 4.04Å; P959-Y961 PolarHBondContact O-N 3.09Å |
| 962 | K | 92.1 | Very high | 91.5 | Very high | 68 Ų | 68 | 46.8 Ų | 46.8 | 30% | 0.296 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -87.4 | -7.1 | 173.7 | -62.8 | -166.8 | 74.9 | -176.9 | 0 | 112.9 | G875 S876 L958 P959 G960 T964 I967 | G875-K962 WeakPolarHBondContact O-CE 3.12Å; G875-K962 PolarHBondContact O-NZ 3.39Å; S876-K962 PolarHBondContact O-NZ 3.26Å; L958-K962 HydrophobicContact CD1-CB 3.91Å; L958-K962 HydrophobicContact CD1-CD 4.09Å; L958-K962 HydrophobicContact CG-CB 4.3Å; P959-K962 PolarHBondContact O-N 2.98Å; G960-K962 PolarHBondContact O-N 2.84Å; G960-K962 VanDerWaalsContact O-N 3.15Å; K962-T964 PolarHBondContact O-N 3.17Å; K962-T964 VanDerWaalsContact O-N 3.17Å; K962-I967 WeakPolarHBondContact O-CD1 3.38Å |
| 963 | I | 93.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | trans | -93.2 | 81.5 | -174.3 | -63.1 | 163.1 | 0 | 0 | 0 | 108.9 | L958 G960 I967 A968 G976 V977 L979 | L958-I963 HydrophobicContact CB-CD1 4.45Å; L958-I963 HydrophobicContact CD2-CD1 4.12Å; L958-I963 HydrophobicContact CD2-CG1 3.55Å; L958-I963 HydrophobicContact CG-CD1 4.2Å; L958-I963 HydrophobicContact CG-CG1 3.9Å; G960-I963 PolarHBondContact O-N 3.34Å; I963-I967 HydrophobicContact CG1-CG2 4.39Å; I963-I967 HydrophobicContact CG2-CG2 4.24Å; I963-A968 HydrophobicContact CG2-CB 4.01Å; I963-G976 PolarHBondContact O-N 3.41Å; I963-V977 WeakPolarHBondContact CD1-O 3.31Å; I963-L979 HydrophobicContact CD1-CB 4.02Å; I963-L979 HydrophobicContact CD1-CD1 3.81Å; I963-L979 HydrophobicContact CD1-CG 3.55Å; I963-L979 HydrophobicContact CG1-CD1 4.46Å | ||
| 964 | T | 94.8 | Very high | 92 | Very high | 62 Ų | 62 | 52.2 Ų | 52.2 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | trans | -68 | 171.4 | 173.7 | 73.5 | 0 | 0 | 0 | 0 | 111.3 | K962 E966 I967 A968 | K962-T964 PolarHBondContact O-N 3.17Å; K962-T964 VanDerWaalsContact O-N 3.17Å; T964-E966 VanDerWaalsContact C-N 3.26Å; T964-E966 WeakPolarHBondContact CB-OE2 3.49Å; T964-E966 PolarHBondContact O-N 2.88Å; T964-E966 PolarHBondContact OG1-OE2 3.08Å; T964-I967 HydrophobicContact CG2-CD1 4.39Å; T964-I967 PolarHBondContact O-N 3.08Å; T964-I967 PolarHBondContact OG1-N 3.28Å; T964-A968 VanDerWaalsContact O-CB 3.26Å; T964-A968 WeakPolarHBondContact O-CB 3.23Å; T964-A968 PolarHBondContact O-N 3.39Å | ||
| 965 | N | 94.7 | Very high | 92.2 | Very high | 106 Ų | 106 | 53.9 Ų | 53.9 | 57% | 0.567 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.2 | -38 | 177.5 | -72.4 | -28.5 | 0 | 0 | 0 | 112.3 | T969 P975 | N965-T969 VanDerWaalsContact O-CB 3.28Å; N965-T969 WeakPolarHBondContact O-CB 3.45Å; N965-T969 PolarHBondContact O-N 2.95Å; N965-T969 PolarHBondContact O-OG1 3.5Å; N965-P975 WeakPolarHBondContact OD1-CB 3.36Å; N965-P975 WeakPolarHBondContact OD1-CG 3.4Å |
| 966 | E | 93.4 | Very high | 92.8 | Very high | 115 Ų | 115 | 55.8 Ų | 55.8 | 54% | 0.537 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.8 | -43.6 | 179.5 | -55.7 | 74.9 | -159 | 0 | 0 | 111.2 | F874 T964 T969 T970 | F874-E966 HydrophobicContact CZ-CB 4.48Å; T964-E966 VanDerWaalsContact C-N 3.26Å; T964-E966 WeakPolarHBondContact CB-OE2 3.49Å; T964-E966 PolarHBondContact O-N 2.88Å; T964-E966 PolarHBondContact OG1-OE2 3.08Å; E966-T969 PolarHBondContact O-N 2.99Å; E966-T970 WeakPolarHBondContact O-CB 3.22Å; E966-T970 PolarHBondContact O-N 3.21Å; E966-T970 PolarHBondContact O-OG1 3.44Å |
| 967 | I | 94.5 | Very high | 93.1 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 176.4 | -70.3 | 163.5 | 0 | 0 | 0 | 109.8 | F874 L958 K962 I963 T964 T969 T970 R971 | F874-I967 HydrophobicContact CD1-CG1 4.22Å; F874-I967 HydrophobicContact CE1-CG1 3.76Å; F874-I967 HydrophobicContact CE2-CG1 4.16Å; F874-I967 HydrophobicContact CZ-CG1 3.72Å; L958-I967 HydrophobicContact CD2-CG2 4.09Å; K962-I967 WeakPolarHBondContact O-CD1 3.38Å; I963-I967 HydrophobicContact CG1-CG2 4.39Å; I963-I967 HydrophobicContact CG2-CG2 4.24Å; T964-I967 HydrophobicContact CG2-CD1 4.39Å; T964-I967 PolarHBondContact O-N 3.08Å; T964-I967 PolarHBondContact OG1-N 3.28Å; I967-T969 VanDerWaalsContact C-N 3.32Å; I967-T969 PolarHBondContact O-N 3.34Å; I967-T970 PolarHBondContact O-N 3.47Å; I967-R971 HydrophobicContact CG2-CG 4.33Å; I967-R971 WeakPolarHBondContact O-CB 3.32Å; I967-R971 WeakPolarHBondContact O-CG 3.43Å; I967-R971 PolarHBondContact O-N 3.42Å |
| 968 | A | 94.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 2% | 0.017 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I963 T964 T970 R971 K972 S973 P975 | I963-A968 HydrophobicContact CG2-CB 4.01Å; T964-A968 VanDerWaalsContact O-CB 3.26Å; T964-A968 WeakPolarHBondContact O-CB 3.23Å; T964-A968 PolarHBondContact O-N 3.39Å; A968-T970 PolarHBondContact O-N 2.93Å; A968-R971 PolarHBondContact O-N 3.33Å; A968-K972 CarbonylContact O-C 3.51Å; A968-K972 WeakPolarHBondContact O-CA 3.4Å; A968-K972 PolarHBondContact O-N 3.43Å; A968-S973 WeakPolarHBondContact CA-OG 3.26Å; A968-S973 WeakPolarHBondContact CB-O 3.38Å; A968-S973 PolarHBondContact O-N 2.96Å; A968-P975 HydrophobicContact CB-CB 4.28Å; A968-P975 HydrophobicContact CB-CG 3.71Å |
| 969 | T | 94.6 | Very high | 93.4 | Very high | 91 Ų | 91 | 60.2 Ų | 60.2 | 56% | 0.558 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.6 | -40.1 | 177.5 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | N965 E966 I967 K972 | N965-T969 VanDerWaalsContact O-CB 3.28Å; N965-T969 WeakPolarHBondContact O-CB 3.45Å; N965-T969 PolarHBondContact O-N 2.95Å; N965-T969 PolarHBondContact O-OG1 3.5Å; E966-T969 PolarHBondContact O-N 2.99Å; I967-T969 VanDerWaalsContact C-N 3.32Å; I967-T969 PolarHBondContact O-N 3.34Å; T969-K972 WeakPolarHBondContact O-CD 3.28Å; T969-K972 WeakPolarHBondContact O-CE 3.45Å; T969-K972 PolarHBondContact O-NZ 3.36Å |
| 970 | T | 94 | Very high | 93.4 | Very high | 19 Ų | 19 | 62.1 Ų | 62.1 | 12% | 0.117 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68 | -43.7 | 177.9 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | F874 G930 E966 I967 A968 K972 | F874-T970 HydrophobicContact CD1-CG2 4.4Å; G930-T970 WeakPolarHBondContact CA-O 3.34Å; E966-T970 WeakPolarHBondContact O-CB 3.22Å; E966-T970 PolarHBondContact O-N 3.21Å; E966-T970 PolarHBondContact O-OG1 3.44Å; I967-T970 PolarHBondContact O-N 3.47Å; A968-T970 PolarHBondContact O-N 2.93Å; T970-K972 VanDerWaalsContact C-N 3.33Å; T970-K972 PolarHBondContact O-N 3.47Å |
| 971 | R | 94.5 | Very high | 93.5 | Very high | 6 Ų | 6 | 61.4 Ų | 61.4 | 2% | 0.023 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -81.6 | -9.1 | -179.1 | -64.2 | -168.9 | -179.8 | -146.5 | -1.1 | 114.1 | S873 F874 G901 F929 I967 A968 S973 L979 | S873-R971 PolarHBondContact OG-NH2 2.89Å; F874-R971 PolarHBondContact O-NH2 3.24Å; G901-R971 WeakPolarHBondContact O-CG 3.41Å; F929-R971 HydrophobicContact CB-CB 3.99Å; F929-R971 HydrophobicContact CB-CG 3.91Å; F929-R971 HydrophobicContact CD1-CB 4.14Å; F929-R971 HydrophobicContact CG-CB 4.23Å; F929-R971 HydrophobicContact CG-CG 4.31Å; I967-R971 HydrophobicContact CG2-CG 4.33Å; I967-R971 WeakPolarHBondContact O-CB 3.32Å; I967-R971 WeakPolarHBondContact O-CG 3.43Å; I967-R971 PolarHBondContact O-N 3.42Å; A968-R971 PolarHBondContact O-N 3.33Å; R971-S973 VanDerWaalsContact C-N 3.31Å; R971-L979 HydrophobicContact CB-CD1 4.5Å; R971-L979 VanDerWaalsContact CD-CD1 3.5Å |
| 972 | K | 93.7 | Very high | 93.6 | Very high | 157 Ų | 157 | 53.2 Ų | 53.2 | 68% | 0.683 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 43.6 | -170.2 | -50.5 | -60.6 | 173.7 | -156.5 | 0 | 111.8 | A968 T969 T970 | A968-K972 CarbonylContact O-C 3.51Å; A968-K972 WeakPolarHBondContact O-CA 3.4Å; A968-K972 PolarHBondContact O-N 3.43Å; T969-K972 WeakPolarHBondContact O-CD 3.28Å; T969-K972 WeakPolarHBondContact O-CE 3.45Å; T969-K972 PolarHBondContact O-NZ 3.36Å; T970-K972 VanDerWaalsContact C-N 3.33Å; T970-K972 PolarHBondContact O-N 3.47Å |
| 973 | S | 93.9 | Very high | 93.7 | Very high | 28 Ų | 28 | 50.8 Ų | 50.8 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | trans | -118.4 | -178.4 | -180 | 73.1 | 0 | 0 | 0 | 0 | 112.3 | A968 R971 | A968-S973 WeakPolarHBondContact CA-OG 3.26Å; A968-S973 WeakPolarHBondContact CB-O 3.38Å; A968-S973 PolarHBondContact O-N 2.96Å; R971-S973 VanDerWaalsContact C-N 3.31Å | ||
| 974 | T | 95.2 | Very high | 93.8 | Very high | 92 Ų | 92 | 50.8 Ų | 50.8 | 56% | 0.564 | 30% | 0.302 | S | S | * | . | trans | -92.4 | 132.8 | 177.2 | -50.3 | 0 | 0 | 0 | 0 | 110.9 | V977 | T974-V977 HydrophobicContact CG2-CG2 3.92Š| ||
| 975 | P | 95.2 | Very high | 93.8 | Very high | 61 Ų | 61 | 48.2 Ų | 48.2 | 40% | 0.396 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 142.6 | 173.5 | -24.4 | 33.5 | 0 | 0 | 0 | 112.8 | N965 A968 V977 | N965-P975 WeakPolarHBondContact OD1-CB 3.36Å; N965-P975 WeakPolarHBondContact OD1-CG 3.4Å; A968-P975 HydrophobicContact CB-CB 4.28Å; A968-P975 HydrophobicContact CB-CG 3.71Å; P975-V977 PolarHBondContact O-N 3.23Å; P975-V977 VanDerWaalsContact O-N 3.17Å |
| 976 | G | 94.5 | Very high | 93.8 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 52% | 0.515 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | -10.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | G960 I963 | G960-G976 CarbonylContact C-O 3.58Å; G960-G976 WeakPolarHBondContact CA-O 3.45Å; G960-G976 CarbonylContact O-C 3.55Å; G960-G976 WeakPolarHBondContact O-CA 3.38Å; I963-G976 PolarHBondContact O-N 3.41Å |
| 977 | V | 93.8 | Very high | 93.8 | Very high | 82 Ų | 82 | 45.1 Ų | 45.1 | 50% | 0.497 | 27% | 0.269 | S | S | . | . | trans | -93.1 | 119.8 | -177.9 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | I963 T974 P975 L979 | I963-V977 WeakPolarHBondContact CD1-O 3.31Å; T974-V977 HydrophobicContact CG2-CG2 3.92Å; P975-V977 PolarHBondContact O-N 3.23Å; P975-V977 VanDerWaalsContact O-N 3.17Å; V977-L979 PolarHBondContact O-N 3.22Å | ||
| 978 | G | 91.1 | Very high | 93.8 | Very high | 42 Ų | 42 | 45 Ų | 45 | 43% | 0.433 | 27% | 0.269 | S | S | . | . | trans | -54.8 | 136.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 979 | L | 91.7 | Very high | 93.7 | Very high | 24 Ų | 24 | 47.1 Ų | 47.1 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 108.6 | 179.2 | -66.9 | 172.6 | 0 | 0 | 0 | 109.9 | F929 E957 L958 I963 R971 V977 | F929-L979 HydrophobicContact CE1-CD1 4.17Å; F929-L979 HydrophobicContact CE1-CD2 4.01Å; F929-L979 HydrophobicContact CE2-CB 4.3Å; F929-L979 HydrophobicContact CE2-CD1 4.37Å; F929-L979 HydrophobicContact CZ-CB 3.98Å; F929-L979 HydrophobicContact CZ-CD1 4.03Å; F929-L979 HydrophobicContact CZ-CD2 3.93Å; F929-L979 HydrophobicContact CZ-CG 4.18Å; E957-L979 WeakPolarHBondContact CA-O 3.3Å; L958-L979 HydrophobicContact CB-CB 4.44Å; L958-L979 PolarHBondContact N-O 3.45Å; L958-L979 PolarHBondContact O-N 3.37Å; I963-L979 HydrophobicContact CD1-CB 4.02Å; I963-L979 HydrophobicContact CD1-CD1 3.81Å; I963-L979 HydrophobicContact CD1-CG 3.55Å; I963-L979 HydrophobicContact CG1-CD1 4.46Å; R971-L979 HydrophobicContact CB-CD1 4.5Å; R971-L979 VanDerWaalsContact CD-CD1 3.5Å; V977-L979 PolarHBondContact O-N 3.22Å |
| 980 | I | 90.2 | Very high | 93.6 | Very high | 72 Ų | 72 | 43 Ų | 43 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 110.4 | 168.1 | -56.6 | 171.3 | 0 | 0 | 0 | 106.4 | R522 G956 E957 | R522-I980 PolarHBondContact NH1-O 3.01Å; R522-I980 PolarHBondContact NH2-O 2.99Å; G956-I980 CarbonylContact O-C 3.56Å; G956-I980 WeakPolarHBondContact O-CA 3.37Å; E957-I980 HydrophobicContact CG-CG1 4.25Å |
| 981 | S | 92 | Very high | 93.4 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | trans | -65.1 | 150.5 | 175.6 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | S926 F929 G955 G956 | S926-S981 WeakPolarHBondContact OG-CB 3.16Å; F929-S981 VanDerWaalsContact CE2-OG 3.3Å; F929-S981 WeakPolarHBondContact CE2-OG 3.46Å; G955-S981 WeakPolarHBondContact CA-O 3.01Å; G956-S981 PolarHBondContact O-N 2.74Å | ||
| 982 | P | 94 | Very high | 93.2 | Very high | 24 Ų | 24 | 43.1 Ų | 43.1 | 16% | 0.156 | 25% | 0.251 | C | S | . | . | trans | -55 | 141.8 | 166.1 | -20.9 | 32.8 | 0 | 0 | 0 | 109.6 | S926 | S926-P982 WeakPolarHBondContact CB-O 3.4Å; S926-P982 PolarHBondContact OG-O 2.87Å | ||
| 983 | P | 93.5 | Very high | 93.1 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -59.2 | -47.8 | 170.8 | -25.7 | 37 | 0 | 0 | 0 | 112.9 | P517 I518 | P517-P983 HydrophobicContact CB-CB 3.91Å; P517-P983 HydrophobicContact CG-CB 3.78Å; I518-P983 WeakPolarHBondContact O-CG 3.47Å |
| 984 | P | 94.7 | Very high | 93.1 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -86 | 158.2 | 178.5 | 35.2 | -36.4 | 0 | 0 | 0 | 112.4 | P516 P517 S926 H986 Y989 | P516-P984 HydrophobicContact CB-CB 3.7Å; P517-P984 HydrophobicContact CG-CB 4.04Å; P517-P984 WeakPolarHBondContact O-CB 3.28Å; P517-P984 WeakPolarHBondContact O-CD 3.44Å; P517-P984 VanDerWaalsContact O-CG 3.23Å; P517-P984 WeakPolarHBondContact O-CG 3.44Å; S926-P984 WeakPolarHBondContact CB-O 3.25Å; P984-H986 PolarHBondContact O-N 3.25Å; P984-Y989 HydrophobicContact CB-CE1 4.46Å |
| 985 | H | 95.6 | Very high | 93 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | trans | -74.2 | 115.3 | 154.4 | -81.6 | -126.8 | 0 | 0 | 0 | 107.9 | V924 S926 R928 K945 D987 I988 | V924-H985 PolarHBondContact O-CE1 3.29Å; V924-H985 VanDerWaalsContact O-CE1 3.27Å; S926-H985 PolarHBondContact N-NE2 3.38Å; R928-H985 PolarHBondContact NH1-CE1 3.12Å; R928-H985 PolarHBondContact NH1-ND1 3Å; R928-H985 PolarHBondContact NH2-ND1 3.47Å; K945-H985 PolarHBondContact O-NE2 2.69Å; H985-D987 WeakPolarHBondContact CB-OD1 3.36Å; H985-D987 IonicContact ND1-OD1 3.79Å; H985-D987 PolarHBondContact O-N 2.92Å; H985-D987 VanDerWaalsContact O-N 3.08Å; H985-I988 HydrophobicContact CB-CB 3.76Å; H985-I988 HydrophobicContact CB-CD1 3.63Å; H985-I988 HydrophobicContact CB-CG1 3.68Å; H985-I988 CarbonylContact O-C 3.54Å; H985-I988 PolarHBondContact O-N 2.69Å; H985-I988 VanDerWaalsContact O-O 3.08Å | ||
| 986 | H | 93.9 | Very high | 93 | Very high | 90 Ų | 90 | 34 Ų | 34 | 42% | 0.417 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -6.4 | -179.3 | -75.3 | -63.8 | 0 | 0 | 0 | 114.2 | E523 P984 Y989 | E523-H986 IonicContact OE1-CE1 2.76Å; P984-H986 PolarHBondContact O-N 3.25Å; H986-Y989 AromaticContact ND1-CZ 3.81Å; H986-Y989 PolarHBondContact ND1-OH 3.13Å |
| 987 | D | 94.2 | Very high | 93.1 | Very high | 65 Ų | 65 | 32.1 Ų | 32.1 | 35% | 0.348 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 10.1 | 170.2 | 59.1 | -15.9 | 0 | 0 | 0 | 112.8 | R928 H985 D993 | R928-D987 IonicContact CZ-OD1 3.46Å; R928-D987 IonicContact CZ-OD2 3.64Å; R928-D987 IonicContact NE-OD2 2.84Å; R928-D987 IonicContact NH2-OD1 2.72Å; R928-D987 PolarHBondContact NH2-OD1 3.35Å; R928-D987 IonicContact NH2-OD2 2.81Å; R928-D987 PolarHBondContact NH2-OD2 2.76Å; H985-D987 WeakPolarHBondContact CB-OD1 3.36Å; H985-D987 IonicContact ND1-OD1 3.79Å; H985-D987 PolarHBondContact O-N 2.92Å; H985-D987 VanDerWaalsContact O-N 3.08Å; D987-D993 WeakPolarHBondContact O-CB 3.15Å |
| 988 | I | 94.5 | Very high | 93.2 | Very high | 8 Ų | 8 | 28.5 Ų | 28.5 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | trans | -137.5 | 93.4 | 174.4 | -48.3 | 171.5 | 0 | 0 | 0 | 109.4 | I944 L946 H985 L994 L997 | I944-I988 HydrophobicContact CG2-CD1 4.01Å; L946-I988 HydrophobicContact CD2-CD1 3.62Å; H985-I988 HydrophobicContact CB-CB 3.76Å; H985-I988 HydrophobicContact CB-CD1 3.63Å; H985-I988 HydrophobicContact CB-CG1 3.68Å; H985-I988 CarbonylContact O-C 3.54Å; H985-I988 PolarHBondContact O-N 2.69Å; H985-I988 VanDerWaalsContact O-O 3.08Å; I988-L994 HydrophobicContact CD1-CD1 4.04Å; I988-L994 HydrophobicContact CG2-CB 3.9Å; I988-L997 HydrophobicContact CD1-CD2 3.58Å; I988-L997 HydrophobicContact CG1-CD2 4.07Å | ||
| 989 | Y | 93.2 | Very high | 93.4 | Very high | 47 Ų | 47 | 34 Ų | 34 | 18% | 0.184 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -109.8 | 1.1 | 174.1 | -64.7 | -29.3 | 0 | 0 | 0 | 113.2 | L355 P516 P984 H986 D993 | L355-Y989 HydrophobicContact CB-CD2 4.47Å; L355-Y989 HydrophobicContact CD2-CD1 4.44Å; L355-Y989 HydrophobicContact CD2-CD2 4.48Å; L355-Y989 HydrophobicContact CD2-CE1 4.2Å; L355-Y989 HydrophobicContact CD2-CE2 4.25Å; L355-Y989 WeakPolarHBondContact O-CB 3.29Å; L355-Y989 WeakPolarHBondContact O-CD2 3.46Å; P516-Y989 HydrophobicContact CB-CD1 3.59Å; P516-Y989 HydrophobicContact CB-CE1 4.14Å; P516-Y989 HydrophobicContact CG-CD1 3.52Å; P516-Y989 HydrophobicContact CG-CE1 4.19Å; P516-Y989 HydrophobicContact CG-CG 4.1Å; P984-Y989 HydrophobicContact CB-CE1 4.46Å; H986-Y989 AromaticContact ND1-CZ 3.81Å; H986-Y989 PolarHBondContact ND1-OH 3.13Å; Y989-D993 WeakPolarHBondContact CA-OD2 3.39Å; Y989-D993 PolarHBondContact N-OD2 2.88Å |
| 990 | S | 91.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -166 | 172.2 | -177.8 | 58.2 | 0 | 0 | 0 | 0 | 110.2 | R356 V513 E992 D993 L994 | R356-S990 VanDerWaalsContact CZ-OG 3.24Å; R356-S990 PolarHBondContact NH1-OG 2.77Å; R356-S990 PolarHBondContact NH2-OG 3.45Å; V513-S990 CarbonylContact O-C 3.47Å; V513-S990 VanDerWaalsContact O-C 3.25Å; V513-S990 WeakPolarHBondContact O-CA 3.4Å; S990-E992 VanDerWaalsContact C-N 3.32Å; S990-E992 VanDerWaalsContact CB-CD 3.5Å; S990-E992 VanDerWaalsContact CB-OE2 3.25Å; S990-E992 WeakPolarHBondContact CB-OE2 3.5Å; S990-E992 PolarHBondContact O-N 3.1Å; S990-E992 VanDerWaalsContact OG-CG 3.32Å; S990-E992 WeakPolarHBondContact OG-CG 3.3Å; S990-E992 PolarHBondContact OG-OE1 3.2Å; S990-E992 PolarHBondContact OG-OE2 3.37Å; S990-D993 PolarHBondContact N-OD2 2.9Å; S990-D993 VanDerWaalsContact N-OD2 3.15Å; S990-D993 PolarHBondContact O-N 3.4Å; S990-D993 PolarHBondContact OG-OD1 2.74Å; S990-D993 PolarHBondContact OG-OD2 3.49Å; S990-L994 PolarHBondContact O-N 3.34Å; S990-L994 VanDerWaalsContact O-N 3.16Å |
| 991 | I | 91.3 | Very high | 94 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63 | -36.8 | 178.4 | -173.4 | 65.6 | 0 | 0 | 0 | 112.4 | F215 V513 D993 L994 S995 C1030 | F215-I991 HydrophobicContact CB-CG2 4Å; F215-I991 HydrophobicContact CD1-CB 4.44Å; F215-I991 HydrophobicContact CD1-CG1 3.95Å; F215-I991 HydrophobicContact CD1-CG2 3.56Å; F215-I991 HydrophobicContact CD2-CG2 4.38Å; F215-I991 HydrophobicContact CE1-CG1 3.62Å; F215-I991 HydrophobicContact CE1-CG2 4.11Å; F215-I991 HydrophobicContact CG-CG2 3.73Å; F215-I991 HydrophobicContact CZ-CG1 4.04Å; V513-I991 HydrophobicContact CG1-CB 4.13Å; V513-I991 HydrophobicContact CG1-CD1 3.24Å; V513-I991 HydrophobicContact CG1-CG1 4.27Å; I991-D993 VanDerWaalsContact C-N 3.28Å; I991-D993 PolarHBondContact O-N 2.97Å; I991-L994 HydrophobicContact CD1-CD2 4.25Å; I991-L994 WeakPolarHBondContact O-CB 3.39Å; I991-L994 PolarHBondContact O-N 3.23Å; I991-S995 PolarHBondContact O-N 3.35Å; I991-C1030 WeakPolarHBondContact CD1-SG 3.3Å |
| 992 | E | 89 | Confident | 94.2 | Very high | 20 Ų | 20 | 36.3 Ų | 36.3 | 9% | 0.093 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.6 | -32.2 | 177.2 | 60.7 | -91.5 | -146.9 | 0 | 0 | 112.2 | R39 F215 N235 R356 S990 S995 Q996 | R39-E992 HydrophobicContact CB-CB 4.48Å; F215-E992 HydrophobicContact CD2-CB 4.06Å; N235-E992 PolarHBondContact ND2-OE1 2.96Å; R356-E992 IonicContact CZ-OE1 3.3Å; R356-E992 IonicContact NE-OE1 3.55Å; R356-E992 VanDerWaalsContact NH2-CD 3.32Å; R356-E992 IonicContact NH2-OE1 2.75Å; R356-E992 PolarHBondContact NH2-OE1 3.38Å; S990-E992 VanDerWaalsContact C-N 3.32Å; S990-E992 VanDerWaalsContact CB-CD 3.5Å; S990-E992 VanDerWaalsContact CB-OE2 3.25Å; S990-E992 WeakPolarHBondContact CB-OE2 3.5Å; S990-E992 PolarHBondContact O-N 3.1Å; S990-E992 VanDerWaalsContact OG-CG 3.32Å; S990-E992 WeakPolarHBondContact OG-CG 3.3Å; S990-E992 PolarHBondContact OG-OE1 3.2Å; S990-E992 PolarHBondContact OG-OE2 3.37Å; E992-S995 VanDerWaalsContact O-CB 3.29Å; E992-S995 WeakPolarHBondContact O-CB 3.21Å; E992-S995 PolarHBondContact O-N 2.94Å; E992-Q996 PolarHBondContact O-N 2.91Å; E992-Q996 VanDerWaalsContact O-N 3.07Å |
| 993 | D | 92.1 | Very high | 94.3 | Very high | 25 Ų | 25 | 38.4 Ų | 38.4 | 13% | 0.134 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -73.7 | -34.5 | 177 | -53.7 | -30.1 | 0 | 0 | 0 | 110.9 | R39 R356 D987 Y989 S990 I991 S995 Q996 L997 | R39-D993 IonicContact NH2-OD1 3.14Å; R39-D993 PolarHBondContact NH2-OD1 3.27Å; R356-D993 IonicContact CZ-OD2 2.88Å; R356-D993 IonicContact NH1-OD1 2.91Å; R356-D993 IonicContact NH1-OD2 2.79Å; R356-D993 PolarHBondContact NH1-OD2 2.87Å; R356-D993 IonicContact NH2-OD1 3.82Å; R356-D993 PolarHBondContact NH2-OD1 2.97Å; R356-D993 IonicContact NH2-OD2 3.77Å; D987-D993 WeakPolarHBondContact O-CB 3.15Å; Y989-D993 WeakPolarHBondContact CA-OD2 3.39Å; Y989-D993 PolarHBondContact N-OD2 2.88Å; S990-D993 PolarHBondContact N-OD2 2.9Å; S990-D993 VanDerWaalsContact N-OD2 3.15Å; S990-D993 PolarHBondContact O-N 3.4Å; S990-D993 PolarHBondContact OG-OD1 2.74Å; S990-D993 PolarHBondContact OG-OD2 3.49Å; I991-D993 VanDerWaalsContact C-N 3.28Å; I991-D993 PolarHBondContact O-N 2.97Å; D993-S995 VanDerWaalsContact C-N 3.29Å; D993-S995 PolarHBondContact O-N 2.9Å; D993-Q996 WeakPolarHBondContact O-CB 3.43Å; D993-Q996 PolarHBondContact O-N 2.86Å; D993-L997 PolarHBondContact O-N 3.34Å |
| 994 | L | 94.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -42 | 169.1 | 175.4 | 64.7 | 0 | 0 | 0 | 110.9 | V513 I944 I988 S990 I991 Q996 L997 I998 V1012 V1027 | V513-L994 HydrophobicContact CG1-CB 4.36Å; V513-L994 HydrophobicContact CG1-CD2 3.69Å; V513-L994 HydrophobicContact CG2-CD2 4.12Å; I944-L994 HydrophobicContact CD1-CD1 3.76Å; I944-L994 HydrophobicContact CG2-CD1 4.21Å; I988-L994 HydrophobicContact CD1-CD1 4.04Å; I988-L994 HydrophobicContact CG2-CB 3.9Å; S990-L994 PolarHBondContact O-N 3.34Å; S990-L994 VanDerWaalsContact O-N 3.16Å; I991-L994 HydrophobicContact CD1-CD2 4.25Å; I991-L994 WeakPolarHBondContact O-CB 3.39Å; I991-L994 PolarHBondContact O-N 3.23Å; L994-Q996 VanDerWaalsContact C-N 3.26Å; L994-Q996 PolarHBondContact O-N 3.29Å; L994-L997 PolarHBondContact O-N 3.17Å; L994-I998 HydrophobicContact CD1-CD1 4.16Å; L994-I998 HydrophobicContact CD1-CG1 4.3Å; L994-I998 HydrophobicContact CD2-CD1 4.43Å; L994-I998 HydrophobicContact CG-CD1 3.89Å; L994-I998 HydrophobicContact CG-CG1 4.46Å; L994-I998 WeakPolarHBondContact O-CG1 3.25Å; L994-I998 PolarHBondContact O-N 3.29Å; L994-V1012 HydrophobicContact CD1-CG2 4.45Å; L994-V1027 HydrophobicContact CD2-CG2 3.77Å |
| 995 | S | 93.2 | Very high | 94.6 | Very high | 30 Ų | 30 | 40.6 Ų | 40.6 | 21% | 0.21 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.9 | -41 | 175.5 | -162.2 | 0 | 0 | 0 | 0 | 111.7 | I991 E992 D993 I998 Y999 | I991-S995 PolarHBondContact O-N 3.35Å; E992-S995 VanDerWaalsContact O-CB 3.29Å; E992-S995 WeakPolarHBondContact O-CB 3.21Å; E992-S995 PolarHBondContact O-N 2.94Å; D993-S995 VanDerWaalsContact C-N 3.29Å; D993-S995 PolarHBondContact O-N 2.9Å; S995-I998 PolarHBondContact O-N 3.45Å; S995-Y999 PolarHBondContact O-N 3.45Å |
| 996 | Q | 94.5 | Very high | 94.6 | Very high | 90 Ų | 90 | 44.6 Ų | 44.6 | 42% | 0.421 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.6 | -45.8 | 175.4 | -172.6 | 60 | 52.4 | 0 | 0 | 111.8 | E992 D993 L994 I998 Y999 D1000 | E992-Q996 PolarHBondContact O-N 2.91Å; E992-Q996 VanDerWaalsContact O-N 3.07Å; D993-Q996 WeakPolarHBondContact O-CB 3.43Å; D993-Q996 PolarHBondContact O-N 2.86Å; L994-Q996 VanDerWaalsContact C-N 3.26Å; L994-Q996 PolarHBondContact O-N 3.29Å; Q996-I998 VanDerWaalsContact C-N 3.32Å; Q996-I998 PolarHBondContact O-N 3.42Å; Q996-Y999 WeakPolarHBondContact O-CB 3.26Å; Q996-Y999 PolarHBondContact O-N 3.31Å; Q996-Y999 VanDerWaalsContact O-N 3.15Å; Q996-D1000 PolarHBondContact NE2-OD1 2.87Å; Q996-D1000 VanDerWaalsContact O-CG 3.23Å; Q996-D1000 PolarHBondContact O-N 3.15Å |
| 997 | L | 96.4 | Very high | 94.8 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 178.1 | -177.9 | 61.7 | 0 | 0 | 0 | 112 | I944 I988 D993 L994 Y999 D1000 L1001 | I944-L997 HydrophobicContact CD1-CD2 3.96Å; I944-L997 HydrophobicContact CD1-CG 4.08Å; I944-L997 HydrophobicContact CG1-CD2 4.12Å; I944-L997 HydrophobicContact CG2-CD2 4.01Å; I988-L997 HydrophobicContact CD1-CD2 3.58Å; I988-L997 HydrophobicContact CG1-CD2 4.07Å; D993-L997 PolarHBondContact O-N 3.34Å; L994-L997 PolarHBondContact O-N 3.17Å; L997-Y999 VanDerWaalsContact C-N 3.3Å; L997-Y999 PolarHBondContact O-N 3.41Å; L997-D1000 PolarHBondContact O-N 3.21Å; L997-L1001 HydrophobicContact CD1-CD1 4.38Å; L997-L1001 HydrophobicContact CD1-CD2 4.45Å; L997-L1001 HydrophobicContact CD1-CG 4.1Å; L997-L1001 HydrophobicContact CG-CD1 4.14Å; L997-L1001 HydrophobicContact CG-CG 4.28Å; L997-L1001 WeakPolarHBondContact O-CB 3.38Å; L997-L1001 VanDerWaalsContact O-CG 3.26Å; L997-L1001 WeakPolarHBondContact O-CG 3.22Å; L997-L1001 PolarHBondContact O-N 3.47Å |
| 998 | I | 96.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.2 | -44 | 175 | -69.8 | 165.6 | 0 | 0 | 0 | 110.2 | I944 L994 S995 Q996 L1001 K1002 I1010 V1012 C1030 A1032 | I944-I998 HydrophobicContact CD1-CG1 3.65Å; L994-I998 HydrophobicContact CD1-CD1 4.16Å; L994-I998 HydrophobicContact CD1-CG1 4.3Å; L994-I998 HydrophobicContact CD2-CD1 4.43Å; L994-I998 HydrophobicContact CG-CD1 3.89Å; L994-I998 HydrophobicContact CG-CG1 4.46Å; L994-I998 WeakPolarHBondContact O-CG1 3.25Å; L994-I998 PolarHBondContact O-N 3.29Å; S995-I998 PolarHBondContact O-N 3.45Å; Q996-I998 VanDerWaalsContact C-N 3.32Å; Q996-I998 PolarHBondContact O-N 3.42Å; I998-L1001 PolarHBondContact O-N 3.25Å; I998-K1002 WeakPolarHBondContact O-CB 3.21Å; I998-K1002 PolarHBondContact O-N 2.95Å; I998-I1010 HydrophobicContact CB-CG2 4.41Å; I998-I1010 HydrophobicContact CG1-CG2 3.93Å; I998-I1010 HydrophobicContact CG2-CB 4.37Å; I998-I1010 HydrophobicContact CG2-CG1 4.35Å; I998-I1010 HydrophobicContact CG2-CG2 4.09Å; I998-V1012 HydrophobicContact CD1-CG2 4.41Å; I998-C1030 HydrophobicContact CD1-CB 3.58Å; I998-C1030 WeakPolarHBondContact CG2-O 3.35Å; I998-A1032 HydrophobicContact CD1-CB 4.06Å |
| 999 | Y | 95.4 | Very high | 95 | Very high | 156 Ų | 156 | 48.5 Ų | 48.5 | 61% | 0.612 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.6 | -45 | 175.6 | 179.3 | -90.1 | 0 | 0 | 0 | 112.3 | S995 Q996 L997 K1002 S1003 | S995-Y999 PolarHBondContact O-N 3.45Å; Q996-Y999 WeakPolarHBondContact O-CB 3.26Å; Q996-Y999 PolarHBondContact O-N 3.31Å; Q996-Y999 VanDerWaalsContact O-N 3.15Å; L997-Y999 VanDerWaalsContact C-N 3.3Å; L997-Y999 PolarHBondContact O-N 3.41Å; Y999-K1002 PolarHBondContact O-N 2.95Å; Y999-S1003 WeakPolarHBondContact O-CB 3.49Å; Y999-S1003 PolarHBondContact O-N 3.11Å; Y999-S1003 PolarHBondContact O-OG 2.9Å |
| 1000 | D | 96.9 | Very high | 95.2 | Very high | 74 Ų | 74 | 46.3 Ų | 46.3 | 40% | 0.396 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.4 | -43 | -179.5 | -65.8 | -13.7 | 0 | 0 | 0 | 111.5 | Q996 L997 S1003 A1004 | Q996-D1000 PolarHBondContact NE2-OD1 2.87Å; Q996-D1000 VanDerWaalsContact O-CG 3.23Å; Q996-D1000 PolarHBondContact O-N 3.15Å; L997-D1000 PolarHBondContact O-N 3.21Å; D1000-S1003 WeakPolarHBondContact O-CB 3.48Å; D1000-S1003 PolarHBondContact O-N 3.06Å; D1000-A1004 WeakPolarHBondContact O-CB 3.21Å; D1000-A1004 PolarHBondContact O-N 3.39Å |
| 1001 | L | 97.7 | Very high | 95.5 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.5 | -40.8 | 177.4 | -67.8 | 179.8 | 0 | 0 | 0 | 112 | V924 L936 L942 I944 L997 I998 S1003 A1004 N1005 I1010 | V924-L1001 HydrophobicContact CG2-CD1 4.24Å; V924-L1001 HydrophobicContact CG2-CD2 3.98Å; L936-L1001 HydrophobicContact CD1-CD2 4.28Å; L936-L1001 HydrophobicContact CD2-CD2 3.95Å; L942-L1001 HydrophobicContact CB-CD1 4.47Å; L942-L1001 HydrophobicContact CD1-CB 4Å; L942-L1001 HydrophobicContact CD1-CD2 4.34Å; I944-L1001 HydrophobicContact CD1-CD1 3.87Å; I944-L1001 HydrophobicContact CG1-CD1 3.58Å; L997-L1001 HydrophobicContact CD1-CD1 4.38Å; L997-L1001 HydrophobicContact CD1-CD2 4.45Å; L997-L1001 HydrophobicContact CD1-CG 4.1Å; L997-L1001 HydrophobicContact CG-CD1 4.14Å; L997-L1001 HydrophobicContact CG-CG 4.28Å; L997-L1001 WeakPolarHBondContact O-CB 3.38Å; L997-L1001 VanDerWaalsContact O-CG 3.26Å; L997-L1001 WeakPolarHBondContact O-CG 3.22Å; L997-L1001 PolarHBondContact O-N 3.47Å; I998-L1001 PolarHBondContact O-N 3.25Å; L1001-S1003 VanDerWaalsContact C-N 3.3Å; L1001-S1003 PolarHBondContact O-N 2.69Å; L1001-A1004 PolarHBondContact O-N 3.35Å; L1001-N1005 PolarHBondContact O-N 2.91Å; L1001-I1010 HydrophobicContact CB-CD1 3.82Å |
| 1002 | K | 96 | Very high | 95.8 | Very high | 65 Ų | 65 | 45.7 Ų | 45.7 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.1 | -33.7 | 174.7 | -158.9 | 71 | 169.2 | -169.9 | 0 | 111.7 | I998 Y999 N1005 P1006 A1008 I1010 E1033 | I998-K1002 WeakPolarHBondContact O-CB 3.21Å; I998-K1002 PolarHBondContact O-N 2.95Å; Y999-K1002 PolarHBondContact O-N 2.95Å; K1002-N1005 CarbonylContact O-C 3.1Å; K1002-P1006 WeakPolarHBondContact CE-O 3.47Å; K1002-P1006 WeakPolarHBondContact O-CA 3.45Å; K1002-A1008 PolarHBondContact NZ-O 2.8Å; K1002-I1010 HydrophobicContact CD-CD1 4.45Å; K1002-I1010 HydrophobicContact CD-CG1 4.1Å; K1002-E1033 VanDerWaalsContact NZ-CD 3.26Å; K1002-E1033 IonicContact NZ-OE1 3.56Å; K1002-E1033 PolarHBondContact NZ-OE1 3.23Å; K1002-E1033 IonicContact NZ-OE2 3.69Å; K1002-E1033 PolarHBondContact NZ-OE2 3.42Å |
| 1003 | S | 96.1 | Very high | 96.2 | Very high | 68 Ų | 68 | 45.5 Ų | 45.5 | 48% | 0.476 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.9 | -37.7 | 173.7 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | Y999 D1000 L1001 | Y999-S1003 WeakPolarHBondContact O-CB 3.49Å; Y999-S1003 PolarHBondContact O-N 3.11Å; Y999-S1003 PolarHBondContact O-OG 2.9Å; D1000-S1003 WeakPolarHBondContact O-CB 3.48Å; D1000-S1003 PolarHBondContact O-N 3.06Å; L1001-S1003 VanDerWaalsContact C-N 3.3Å; L1001-S1003 PolarHBondContact O-N 2.69Å |
| 1004 | A | 96.2 | Very high | 96.4 | Very high | 53 Ų | 53 | 44.3 Ų | 44.3 | 44% | 0.438 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -71.5 | -35.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | L936 D1000 L1001 | L936-A1004 HydrophobicContact CB-CB 4.48Å; L936-A1004 HydrophobicContact CD1-CB 4.02Å; D1000-A1004 WeakPolarHBondContact O-CB 3.21Å; D1000-A1004 PolarHBondContact O-N 3.39Å; L1001-A1004 PolarHBondContact O-N 3.35Å |
| 1005 | N | 97.5 | Very high | 96.6 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 8% | 0.075 | 23% | 0.226 | C | C | . | . | trans | -142.6 | 93.8 | 175.2 | -174.4 | -11.8 | 0 | 0 | 0 | 111 | L936 A937 A939 L942 L1001 K1002 K1007 A1008 | L936-N1005 PolarHBondContact O-ND2 3.04Å; A937-N1005 PolarHBondContact O-ND2 3.4Å; A939-N1005 PolarHBondContact O-ND2 3.47Å; L942-N1005 HydrophobicContact CD1-CB 4.24Å; L1001-N1005 PolarHBondContact O-N 2.91Å; K1002-N1005 CarbonylContact O-C 3.1Å; N1005-K1007 PolarHBondContact O-N 3.32Å; N1005-K1007 VanDerWaalsContact O-N 3.14Å; N1005-K1007 PolarHBondContact OD1-N 2.91Å; N1005-K1007 VanDerWaalsContact OD1-N 3.17Å; N1005-A1008 HydrophobicContact CB-CB 4.01Å; N1005-A1008 PolarHBondContact O-N 3.26Å; N1005-A1008 PolarHBondContact OD1-N 3.43Å | ||
| 1006 | P | 96.6 | Very high | 96.7 | Very high | 93 Ų | 93 | 42.9 Ų | 42.9 | 60% | 0.604 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.6 | -177.6 | -25.2 | 34.5 | 0 | 0 | 0 | 114.3 | K1002 | K1002-P1006 WeakPolarHBondContact CE-O 3.47Å; K1002-P1006 WeakPolarHBondContact O-CA 3.45Å |
| 1007 | K | 96.4 | Very high | 96.8 | Very high | 200 Ų | 200 | 39.1 Ų | 39.1 | 87% | 0.87 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -22.9 | -178.3 | -64.5 | -176.9 | -179.8 | 179.6 | 0 | 112.8 | N1005 | N1005-K1007 PolarHBondContact O-N 3.32Å; N1005-K1007 VanDerWaalsContact O-N 3.14Å; N1005-K1007 PolarHBondContact OD1-N 2.91Å; N1005-K1007 VanDerWaalsContact OD1-N 3.17Å |
| 1008 | A | 97 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -69.8 | 139.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D940 L942 K1002 N1005 | D940-A1008 WeakPolarHBondContact O-CA 3.46Å; L942-A1008 HydrophobicContact CD1-CB 3.96Å; L942-A1008 HydrophobicContact CG-CB 3.9Å; K1002-A1008 PolarHBondContact NZ-O 2.8Å; N1005-A1008 HydrophobicContact CB-CB 4.01Å; N1005-A1008 PolarHBondContact O-N 3.26Å; N1005-A1008 PolarHBondContact OD1-N 3.43Å |
| 1009 | R | 96.9 | Very high | 96.5 | Very high | 46 Ų | 46 | 40.3 Ų | 40.3 | 17% | 0.174 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 134.7 | 165.6 | -173.9 | 167.4 | 66.6 | 176.3 | 5.8 | 109.2 | K895 D940 E941 L942 E1033 H1034 H1103 | K895-R1009 VanDerWaalsContact NZ-NH2 3.17Å; D940-R1009 PolarHBondContact O-N 3.29Å; E941-R1009 CarbonylContact C-O 3.6Å; E941-R1009 VanDerWaalsContact CA-O 3.26Å; E941-R1009 WeakPolarHBondContact CA-O 3.49Å; E941-R1009 HydrophobicContact CB-CB 4.35Å; E941-R1009 HydrophobicContact CG-CB 4.23Å; E941-R1009 WeakPolarHBondContact CG-O 3.49Å; E941-R1009 IonicContact OE2-CZ 3.74Å; E941-R1009 IonicContact OE2-NE 2.73Å; E941-R1009 PolarHBondContact OE2-NE 2.62Å; E941-R1009 IonicContact OE2-NH2 3.04Å; E941-R1009 PolarHBondContact OE2-NH2 3.35Å; L942-R1009 PolarHBondContact N-O 3.2Å; R1009-E1033 WeakPolarHBondContact CA-OE2 3.25Å; R1009-E1033 HydrophobicContact CG-CB 3.61Å; R1009-H1034 HydrophobicContact CG-CB 4.16Å; R1009-H1103 PolarHBondContact NH1-NE2 3.38Å |
| 1010 | I | 98 | Very high | 96.5 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 121.4 | 175.6 | -50.3 | -56.7 | 0 | 0 | 0 | 110.4 | L942 I944 I998 L1001 K1002 E1033 H1034 | L942-I1010 HydrophobicContact CB-CD1 3.94Å; L942-I1010 HydrophobicContact CD1-CD1 4.08Å; I944-I1010 HydrophobicContact CD1-CG2 4.16Å; I998-I1010 HydrophobicContact CB-CG2 4.41Å; I998-I1010 HydrophobicContact CG1-CG2 3.93Å; I998-I1010 HydrophobicContact CG2-CB 4.37Å; I998-I1010 HydrophobicContact CG2-CG1 4.35Å; I998-I1010 HydrophobicContact CG2-CG2 4.09Å; L1001-I1010 HydrophobicContact CB-CD1 3.82Å; K1002-I1010 HydrophobicContact CD-CD1 4.45Å; K1002-I1010 HydrophobicContact CD-CG1 4.1Å; I1010-E1033 PolarHBondContact N-OE2 3.2Å; I1010-E1033 PolarHBondContact O-N 3.16Å; I1010-E1033 VanDerWaalsContact O-N 3.08Å; I1010-H1034 PolarHBondContact O-N 3.03Å |
| 1011 | S | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 140.5 | 178.4 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | E941 L942 Q943 I944 H1034 | E941-S1011 WeakPolarHBondContact OE1-CB 3.44Å; E941-S1011 PolarHBondContact OE1-OG 3.28Å; L942-S1011 PolarHBondContact O-N 2.89Å; Q943-S1011 CarbonylContact C-O 2.79Å; Q943-S1011 WeakPolarHBondContact CA-O 3.44Å; Q943-S1011 PolarHBondContact NE2-OG 2.72Å; I944-S1011 PolarHBondContact N-O 3.44Å; S1011-H1034 CarbonylContact C-O 3.52Å; S1011-H1034 WeakPolarHBondContact CA-O 3.43Å; S1011-H1034 VanDerWaalsContact CB-ND1 3.3Å; S1011-H1034 WeakPolarHBondContact CB-ND1 3.37Å; S1011-H1034 PolarHBondContact OG-ND1 2.81Å |
| 1012 | V | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.1 | 170.1 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | I944 L946 L994 I998 L1014 V1027 A1032 H1034 I1035 T1036 | I944-V1012 HydrophobicContact CB-CG2 4.46Å; I944-V1012 HydrophobicContact CD1-CG2 4.35Å; L946-V1012 HydrophobicContact CG-CG1 4.35Å; L994-V1012 HydrophobicContact CD1-CG2 4.45Å; I998-V1012 HydrophobicContact CD1-CG2 4.41Å; V1012-L1014 HydrophobicContact CG1-CD2 3.88Å; V1012-L1014 HydrophobicContact CG1-CG 4.24Å; V1012-V1027 HydrophobicContact CB-CG1 3.78Å; V1012-V1027 HydrophobicContact CG1-CG1 4.21Å; V1012-V1027 HydrophobicContact CG1-CG2 4.37Å; V1012-V1027 HydrophobicContact CG2-CG1 3.64Å; V1012-A1032 HydrophobicContact CG2-CB 4.05Å; V1012-H1034 PolarHBondContact N-O 2.94Å; V1012-I1035 WeakPolarHBondContact O-CA 3.44Å; V1012-T1036 PolarHBondContact O-N 2.92Å |
| 1013 | K | 96.8 | Very high | 96 | Very high | 15 Ų | 15 | 30 Ų | 30 | 7% | 0.065 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 112.3 | 176.6 | -175.5 | 172.6 | -174.1 | 160 | 0 | 110.1 | Q943 I944 L946 A947 T1036 S1038 D1084 | Q943-K1013 HydrophobicContact CG-CB 4.04Å; I944-K1013 PolarHBondContact O-N 3.35Å; L946-K1013 PolarHBondContact N-O 3.02Å; A947-K1013 PolarHBondContact N-O 3.14Å; K1013-T1036 HydrophobicContact CG-CG2 4.28Å; K1013-S1038 WeakPolarHBondContact CE-OG 3.37Å; K1013-D1084 WeakPolarHBondContact CE-OD2 3.41Å; K1013-D1084 IonicContact NZ-OD1 3.93Å; K1013-D1084 IonicContact NZ-OD2 2.86Å; K1013-D1084 PolarHBondContact NZ-OD2 3.09Å |
| 1014 | L | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 165.5 | 176.1 | -57.4 | 178.1 | 0 | 0 | 0 | 110 | V513 L946 V1012 V1020 I1023 A1024 V1027 I1035 T1036 I1037 S1038 | V513-L1014 HydrophobicContact CG2-CD2 3.84Å; L946-L1014 HydrophobicContact CD1-CD2 4.39Å; V1012-L1014 HydrophobicContact CG1-CD2 3.88Å; V1012-L1014 HydrophobicContact CG1-CG 4.24Å; L1014-V1020 HydrophobicContact CB-CG2 4.16Å; L1014-V1020 HydrophobicContact CD1-CG2 4.16Å; L1014-I1023 HydrophobicContact CD1-CG2 4.17Å; L1014-I1023 HydrophobicContact CD2-CG2 4.32Å; L1014-A1024 HydrophobicContact CD1-CB 4.41Å; L1014-V1027 HydrophobicContact CD1-CG2 4.41Å; L1014-I1035 HydrophobicContact CD1-CG2 4.08Å; L1014-I1035 HydrophobicContact CG-CG2 4.5Å; L1014-T1036 PolarHBondContact N-O 3.43Å; L1014-T1036 VanDerWaalsContact O-O 3.14Å; L1014-I1037 HydrophobicContact CB-CD1 4.08Å; L1014-I1037 HydrophobicContact CD1-CD1 4.25Å; L1014-S1038 WeakPolarHBondContact O-CB 3.15Å; L1014-S1038 PolarHBondContact O-N 3.26Å; L1014-S1038 PolarHBondContact O-OG 3.26Å |
| 1015 | V | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 141.8 | 173.8 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | F510 Q512 A947 P952 E1017 S1038 | F510-V1015 HydrophobicContact CE1-CG1 4.14Å; F510-V1015 HydrophobicContact CE2-CB 3.85Å; F510-V1015 HydrophobicContact CE2-CG1 4.33Å; F510-V1015 HydrophobicContact CZ-CB 3.52Å; F510-V1015 HydrophobicContact CZ-CG1 3.53Å; Q512-V1015 PolarHBondContact NE2-O 2.99Å; Q512-V1015 PolarHBondContact OE1-O 2.72Å; A947-V1015 HydrophobicContact CB-CB 4.17Å; A947-V1015 HydrophobicContact CB-CG2 3.46Å; A947-V1015 VanDerWaalsContact CB-CG2 3.46Å; P952-V1015 HydrophobicContact CB-CB 4.22Å; P952-V1015 HydrophobicContact CB-CG1 4.1Å; P952-V1015 HydrophobicContact CB-CG2 4.21Å; P952-V1015 HydrophobicContact CG-CG1 4.37Å; V1015-E1017 PolarHBondContact O-N 3.34Å; V1015-S1038 WeakPolarHBondContact CA-O 3.49Å |
| 1016 | S | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -60.7 | 124.5 | 178.4 | -171.1 | 0 | 0 | 0 | 0 | 110.6 | S1038 V1057 P1058 G1062 | S1016-S1038 WeakPolarHBondContact CB-O 3.43Å; S1016-S1038 PolarHBondContact N-O 3.18Å; S1016-V1057 WeakPolarHBondContact CB-O 2.84Å; S1016-V1057 WeakPolarHBondContact O-CG2 3.39Å; S1016-V1057 PolarHBondContact O-N 2.64Å; S1016-V1057 VanDerWaalsContact OG-CG2 3.24Å; S1016-V1057 WeakPolarHBondContact OG-CG2 3.35Å; S1016-P1058 PolarHBondContact OG-O 3.09Å; S1016-G1062 WeakPolarHBondContact OG-CA 3.2Å; S1016-G1062 PolarHBondContact OG-N 3.04Å | ||
| 1017 | E | 95.8 | Very high | 95.4 | Very high | 11 Ų | 11 | 19.2 Ų | 19.2 | 5% | 0.051 | 10% | 0.096 | C | C | . | . | trans | -159.2 | 166.9 | 166.9 | 68.2 | -177.6 | 165.1 | 0 | 0 | 108.3 | F510 Q512 V1015 G1019 V1020 | F510-E1017 HydrophobicContact CE1-CB 4.15Å; F510-E1017 WeakPolarHBondContact CE1-OE2 3.46Å; F510-E1017 HydrophobicContact CE2-CG 4.49Å; F510-E1017 HydrophobicContact CZ-CB 4.06Å; F510-E1017 HydrophobicContact CZ-CG 4.08Å; F510-E1017 PolarHBondContact N-OE2 3.26Å; F510-E1017 VanDerWaalsContact N-OE2 3.07Å; Q512-E1017 WeakPolarHBondContact CG-OE1 3.45Å; Q512-E1017 PolarHBondContact NE2-OE1 3.41Å; V1015-E1017 PolarHBondContact O-N 3.34Å; E1017-G1019 PolarHBondContact O-N 3.06Å; E1017-V1020 WeakPolarHBondContact O-CB 3.36Å; E1017-V1020 WeakPolarHBondContact O-CG1 3.26Å; E1017-V1020 PolarHBondContact O-N 2.92Å | ||
| 1018 | A | 93.7 | Very high | 95.3 | Very high | 22 Ų | 22 | 9.9 Ų | 9.9 | 18% | 0.182 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 127.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E736 V753 | E736-A1018 HydrophobicContact CG-CB 4.48Å; E736-A1018 WeakPolarHBondContact OE2-CB 3.49Å; E736-A1018 PolarHBondContact OE2-N 3.04Å; V753-A1018 HydrophobicContact CB-CB 4.25Å; V753-A1018 HydrophobicContact CG1-CB 3.79Å; V753-A1018 HydrophobicContact CG2-CB 4.28Å |
| 1019 | G | 92.8 | Very high | 94.9 | Very high | 21 Ų | 21 | 10.8 Ų | 10.8 | 22% | 0.216 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98 | -8.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1017 G1021 I1022 I1023 E1065 | E1017-G1019 PolarHBondContact O-N 3.06Å; G1019-G1021 PolarHBondContact O-N 3.31Å; G1019-G1021 VanDerWaalsContact O-N 3.12Å; G1019-I1022 WeakPolarHBondContact O-CB 3.11Å; G1019-I1022 PolarHBondContact O-N 3.14Å; G1019-I1023 PolarHBondContact O-N 3.42Å; G1019-I1023 VanDerWaalsContact O-N 3.11Å; G1019-E1065 WeakPolarHBondContact CA-OE1 3.28Å; G1019-E1065 PolarHBondContact N-OE1 2.87Å; G1019-E1065 PolarHBondContact N-OE2 2.83Å |
| 1020 | V | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -57.7 | -27.9 | 177.3 | 71.9 | 0 | 0 | 0 | 0 | 112.5 | L1014 E1017 I1023 A1024 I1037 E1065 | L1014-V1020 HydrophobicContact CB-CG2 4.16Å; L1014-V1020 HydrophobicContact CD1-CG2 4.16Å; E1017-V1020 WeakPolarHBondContact O-CB 3.36Å; E1017-V1020 WeakPolarHBondContact O-CG1 3.26Å; E1017-V1020 PolarHBondContact O-N 2.92Å; V1020-I1023 PolarHBondContact O-N 2.67Å; V1020-A1024 VanDerWaalsContact O-CB 3.27Å; V1020-A1024 WeakPolarHBondContact O-CB 3.41Å; V1020-A1024 PolarHBondContact O-N 2.99Å; V1020-I1037 HydrophobicContact CG2-CD1 3.97Å; V1020-E1065 PolarHBondContact N-OE1 2.92Å; V1020-E1065 VanDerWaalsContact N-OE1 3.16Å |
| 1021 | G | 94 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68.8 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G1019 A1024 A1025 E1065 V1069 | G1019-G1021 PolarHBondContact O-N 3.31Å; G1019-G1021 VanDerWaalsContact O-N 3.12Å; G1021-A1024 PolarHBondContact O-N 3.43Å; G1021-A1025 PolarHBondContact O-N 2.99Å; G1021-E1065 PolarHBondContact N-OE1 3.1Å; G1021-V1069 VanDerWaalsContact O-CG1 3.28Å; G1021-V1069 WeakPolarHBondContact O-CG1 3.35Å |
| 1022 | I | 92.5 | Very high | 94.2 | Very high | 74 Ų | 74 | 14.7 Ų | 14.7 | 38% | 0.379 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -66 | -44.3 | 174.6 | -61.4 | 171.3 | 0 | 0 | 0 | 109.3 | T217 G1019 A1024 A1025 G1026 | T217-I1022 VanDerWaalsContact OG1-CG2 3.28Å; T217-I1022 WeakPolarHBondContact OG1-CG2 3.49Å; G1019-I1022 WeakPolarHBondContact O-CB 3.11Å; G1019-I1022 PolarHBondContact O-N 3.14Å; I1022-A1024 VanDerWaalsContact C-N 3.32Å; I1022-A1024 PolarHBondContact O-N 3.23Å; I1022-A1025 PolarHBondContact O-N 2.95Å; I1022-G1026 PolarHBondContact O-N 2.59Å; I1022-G1026 VanDerWaalsContact O-N 3.17Å |
| 1023 | I | 94.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 18.1 Ų | 18.1 | 7% | 0.067 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 177 | -63.1 | 170.9 | 0 | 0 | 0 | 110.6 | Q512 V513 T514 L1014 G1019 V1020 A1025 G1026 V1027 | Q512-I1023 HydrophobicContact CG-CD1 3.61Å; Q512-I1023 HydrophobicContact CG-CG2 4.49Å; V513-I1023 HydrophobicContact CB-CG2 3.75Å; V513-I1023 HydrophobicContact CG2-CG2 3.38Å; T514-I1023 HydrophobicContact CG2-CG1 4.23Å; L1014-I1023 HydrophobicContact CD1-CG2 4.17Å; L1014-I1023 HydrophobicContact CD2-CG2 4.32Å; G1019-I1023 PolarHBondContact O-N 3.42Å; G1019-I1023 VanDerWaalsContact O-N 3.11Å; V1020-I1023 PolarHBondContact O-N 2.67Å; I1023-A1025 VanDerWaalsContact C-N 3.33Å; I1023-A1025 PolarHBondContact O-N 3.22Å; I1023-G1026 WeakPolarHBondContact O-CA 3.31Å; I1023-G1026 PolarHBondContact O-N 3.39Å; I1023-G1026 VanDerWaalsContact O-N 3.13Å; I1023-V1027 HydrophobicContact CG2-CG2 4.37Å; I1023-V1027 WeakPolarHBondContact O-CG2 3.48Å; I1023-V1027 PolarHBondContact O-N 3.11Å |
| 1024 | A | 94.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.5 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1014 V1020 G1021 I1022 V1027 V1028 I1035 T1066 | L1014-A1024 HydrophobicContact CD1-CB 4.41Å; V1020-A1024 VanDerWaalsContact O-CB 3.27Å; V1020-A1024 WeakPolarHBondContact O-CB 3.41Å; V1020-A1024 PolarHBondContact O-N 2.99Å; G1021-A1024 PolarHBondContact O-N 3.43Å; I1022-A1024 VanDerWaalsContact C-N 3.32Å; I1022-A1024 PolarHBondContact O-N 3.23Å; A1024-V1027 PolarHBondContact O-N 3.09Å; A1024-V1028 WeakPolarHBondContact O-CG2 3.43Å; A1024-V1028 PolarHBondContact O-N 2.98Å; A1024-I1035 HydrophobicContact CB-CD1 3.99Å; A1024-T1066 HydrophobicContact CB-CG2 3.57Å |
| 1025 | A | 93 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T217 G1021 I1022 I1023 V1027 V1028 K1029 V1069 L1070 L1075 | T217-A1025 WeakPolarHBondContact O-CB 3.31Å; G1021-A1025 PolarHBondContact O-N 2.99Å; I1022-A1025 PolarHBondContact O-N 2.95Å; I1023-A1025 VanDerWaalsContact C-N 3.33Å; I1023-A1025 PolarHBondContact O-N 3.22Å; A1025-V1027 PolarHBondContact O-N 3.14Å; A1025-V1028 PolarHBondContact O-N 2.86Å; A1025-K1029 WeakPolarHBondContact O-CG 3.16Å; A1025-K1029 PolarHBondContact O-N 3.01Å; A1025-K1029 VanDerWaalsContact O-N 3.1Å; A1025-V1069 HydrophobicContact CB-CG1 4.2Å; A1025-L1070 HydrophobicContact CB-CD2 4.23Å; A1025-L1075 HydrophobicContact CB-CD1 3.98Å |
| 1026 | G | 91.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -56.7 | -47.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T217 I1022 I1023 V1028 K1029 C1030 | T217-G1026 PolarHBondContact O-N 3.1Å; T217-G1026 VanDerWaalsContact O-N 3.1Å; I1022-G1026 PolarHBondContact O-N 2.59Å; I1022-G1026 VanDerWaalsContact O-N 3.17Å; I1023-G1026 WeakPolarHBondContact O-CA 3.31Å; I1023-G1026 PolarHBondContact O-N 3.39Å; I1023-G1026 VanDerWaalsContact O-N 3.13Å; G1026-V1028 VanDerWaalsContact C-N 3.3Å; G1026-V1028 PolarHBondContact O-N 3.46Å; G1026-K1029 WeakPolarHBondContact O-CA 3.31Å; G1026-K1029 WeakPolarHBondContact O-CB 3.23Å; G1026-K1029 PolarHBondContact O-N 3.38Å; G1026-C1030 PolarHBondContact O-N 3.07Å; G1026-C1030 VanDerWaalsContact O-N 3.09Å; G1026-C1030 PolarHBondContact O-SG 3Å; G1026-C1030 VanDerWaalsContact O-SG 3.34Å |
| 1027 | V | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.4 | -39 | 178.9 | 170.4 | 0 | 0 | 0 | 0 | 112.2 | V513 L994 V1012 L1014 I1023 A1024 A1025 C1030 A1032 I1035 | V513-V1027 HydrophobicContact CG2-CG2 3.93Å; L994-V1027 HydrophobicContact CD2-CG2 3.77Å; V1012-V1027 HydrophobicContact CB-CG1 3.78Å; V1012-V1027 HydrophobicContact CG1-CG1 4.21Å; V1012-V1027 HydrophobicContact CG1-CG2 4.37Å; V1012-V1027 HydrophobicContact CG2-CG1 3.64Å; L1014-V1027 HydrophobicContact CD1-CG2 4.41Å; I1023-V1027 HydrophobicContact CG2-CG2 4.37Å; I1023-V1027 WeakPolarHBondContact O-CG2 3.48Å; I1023-V1027 PolarHBondContact O-N 3.11Å; A1024-V1027 PolarHBondContact O-N 3.09Å; A1025-V1027 PolarHBondContact O-N 3.14Å; V1027-C1030 WeakPolarHBondContact O-CB 3.37Å; V1027-C1030 PolarHBondContact O-N 3.18Å; V1027-A1032 HydrophobicContact CG1-CB 3.53Å; V1027-A1032 WeakPolarHBondContact O-CB 3.44Å; V1027-A1032 PolarHBondContact O-N 2.92Å; V1027-I1035 HydrophobicContact CB-CD1 4.13Å; V1027-I1035 HydrophobicContact CG1-CD1 3.82Å; V1027-I1035 HydrophobicContact CG1-CG1 3.87Å |
| 1028 | V | 93.2 | Very high | 94 | Very high | 4 Ų | 4 | 16.9 Ų | 16.9 | 2% | 0.024 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68 | -35.8 | 174.9 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | A1024 A1025 G1026 C1030 K1031 I1035 L1070 L1075 R1078 V1079 | A1024-V1028 WeakPolarHBondContact O-CG2 3.43Å; A1024-V1028 PolarHBondContact O-N 2.98Å; A1025-V1028 PolarHBondContact O-N 2.86Å; G1026-V1028 VanDerWaalsContact C-N 3.3Å; G1026-V1028 PolarHBondContact O-N 3.46Å; V1028-C1030 PolarHBondContact O-N 3.17Å; V1028-K1031 WeakPolarHBondContact O-CA 3.47Å; V1028-K1031 PolarHBondContact O-N 3.37Å; V1028-I1035 HydrophobicContact CG2-CD1 3.77Å; V1028-L1070 HydrophobicContact CB-CD2 4.37Å; V1028-L1070 HydrophobicContact CG2-CD2 3.73Å; V1028-L1075 HydrophobicContact CB-CB 4.5Å; V1028-L1075 HydrophobicContact CB-CD1 4.39Å; V1028-L1075 HydrophobicContact CG1-CB 4.08Å; V1028-L1075 HydrophobicContact CG1-CD2 4.2Å; V1028-L1075 HydrophobicContact CG1-CG 4.5Å; V1028-R1078 HydrophobicContact CG1-CB 3.85Å; V1028-V1079 HydrophobicContact CG2-CB 3.7Å; V1028-V1079 HydrophobicContact CG2-CG1 3.62Å; V1028-V1079 HydrophobicContact CG2-CG2 3.99Å |
| 1029 | K | 89.3 | Confident | 94.1 | Very high | 20 Ų | 20 | 15.9 Ų | 15.9 | 9% | 0.087 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63 | -32.2 | 174.3 | -67.3 | 169.9 | 70.3 | -179.3 | 0 | 112 | C42 D50 F215 S216 N218 T219 A1025 G1026 K1031 L1075 | C42-K1029 VanDerWaalsContact O-CE 3.23Å; C42-K1029 WeakPolarHBondContact O-CE 3.5Å; D50-K1029 IonicContact OD1-NZ 3.79Å; D50-K1029 PolarHBondContact OD1-NZ 2.99Å; D50-K1029 IonicContact OD2-NZ 2.89Å; D50-K1029 PolarHBondContact OD2-NZ 2.98Å; F215-K1029 HydrophobicContact CE1-CB 4.24Å; F215-K1029 HydrophobicContact CZ-CB 4.35Å; S216-K1029 PolarHBondContact O-NZ 3.05Å; S216-K1029 PolarHBondContact OG-NZ 3.4Å; N218-K1029 PolarHBondContact O-NZ 3.04Å; T219-K1029 HydrophobicContact CG2-CD 4.17Å; A1025-K1029 WeakPolarHBondContact O-CG 3.16Å; A1025-K1029 PolarHBondContact O-N 3.01Å; A1025-K1029 VanDerWaalsContact O-N 3.1Å; G1026-K1029 WeakPolarHBondContact O-CA 3.31Å; G1026-K1029 WeakPolarHBondContact O-CB 3.23Å; G1026-K1029 PolarHBondContact O-N 3.38Å; K1029-K1031 PolarHBondContact O-N 3.2Å; K1029-K1031 VanDerWaalsContact O-N 3.1Å; K1029-L1075 HydrophobicContact CG-CD1 4.18Å |
| 1030 | C | 90.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.014 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 6.6 | 169.7 | -56.2 | 0 | 0 | 0 | 0 | 114.4 | I991 I998 G1026 V1027 V1028 A1032 | I991-C1030 WeakPolarHBondContact CD1-SG 3.3Å; I998-C1030 HydrophobicContact CD1-CB 3.58Å; I998-C1030 WeakPolarHBondContact CG2-O 3.35Å; G1026-C1030 PolarHBondContact O-N 3.07Å; G1026-C1030 VanDerWaalsContact O-N 3.09Å; G1026-C1030 PolarHBondContact O-SG 3Å; G1026-C1030 VanDerWaalsContact O-SG 3.34Å; V1027-C1030 WeakPolarHBondContact O-CB 3.37Å; V1027-C1030 PolarHBondContact O-N 3.18Å; V1028-C1030 PolarHBondContact O-N 3.17Å; C1030-A1032 VanDerWaalsContact C-N 3.35Å; C1030-A1032 PolarHBondContact O-N 3.15Å |
| 1031 | K | 91.8 | Very high | 94.1 | Very high | 123 Ų | 123 | 15.6 Ų | 15.6 | 54% | 0.535 | 7% | 0.074 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 26.9 | -179.7 | -48 | -64.5 | -175.8 | -178.5 | 0 | 114.4 | D46 V1028 K1029 | D46-K1031 IonicContact OD1-NZ 2.65Å; D46-K1031 PolarHBondContact OD1-NZ 3.42Å; V1028-K1031 WeakPolarHBondContact O-CA 3.47Å; V1028-K1031 PolarHBondContact O-N 3.37Å; K1029-K1031 PolarHBondContact O-N 3.2Å; K1029-K1031 VanDerWaalsContact O-N 3.1Å |
| 1032 | A | 95 | Very high | 93.9 | Very high | 3 Ų | 3 | 16 Ų | 16 | 3% | 0.025 | 8% | 0.078 | C | C | . | . | trans | -65 | 137.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I998 V1012 V1027 C1030 | I998-A1032 HydrophobicContact CD1-CB 4.06Å; V1012-A1032 HydrophobicContact CG2-CB 4.05Å; V1027-A1032 HydrophobicContact CG1-CB 3.53Å; V1027-A1032 WeakPolarHBondContact O-CB 3.44Å; V1027-A1032 PolarHBondContact O-N 2.92Å; C1030-A1032 VanDerWaalsContact C-N 3.35Å; C1030-A1032 PolarHBondContact O-N 3.15Å | ||
| 1033 | E | 96.2 | Very high | 93.8 | Very high | 73 Ų | 73 | 14.6 Ų | 14.6 | 34% | 0.341 | 8% | 0.081 | S | C | . | . | S | Bend | trans | -99.2 | -16.5 | -175.6 | -66.7 | 162.3 | 116.9 | 0 | 0 | 112 | K1002 R1009 I1010 A1080 | K1002-E1033 VanDerWaalsContact NZ-CD 3.26Å; K1002-E1033 IonicContact NZ-OE1 3.56Å; K1002-E1033 PolarHBondContact NZ-OE1 3.23Å; K1002-E1033 IonicContact NZ-OE2 3.69Å; K1002-E1033 PolarHBondContact NZ-OE2 3.42Å; R1009-E1033 WeakPolarHBondContact CA-OE2 3.25Å; R1009-E1033 HydrophobicContact CG-CB 3.61Å; I1010-E1033 PolarHBondContact N-OE2 3.2Å; I1010-E1033 PolarHBondContact O-N 3.16Å; I1010-E1033 VanDerWaalsContact O-N 3.08Å; E1033-A1080 PolarHBondContact O-N 2.77Å |
| 1034 | H | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 139.1 | -179.2 | -178.1 | -126.1 | 0 | 0 | 0 | 111.7 | E941 R1009 I1010 S1011 V1012 T1036 A1080 Q1082 | E941-H1034 IonicContact OE1-CE1 3.75Å; E941-H1034 PolarHBondContact OE1-CE1 3.04Å; E941-H1034 IonicContact OE1-CG 2.67Å; E941-H1034 IonicContact OE1-ND1 2.66Å; E941-H1034 PolarHBondContact OE1-ND1 3.48Å; R1009-H1034 HydrophobicContact CG-CB 4.16Å; I1010-H1034 PolarHBondContact O-N 3.03Å; S1011-H1034 CarbonylContact C-O 3.52Å; S1011-H1034 WeakPolarHBondContact CA-O 3.43Å; S1011-H1034 VanDerWaalsContact CB-ND1 3.3Å; S1011-H1034 WeakPolarHBondContact CB-ND1 3.37Å; S1011-H1034 PolarHBondContact OG-ND1 2.81Å; V1012-H1034 PolarHBondContact N-O 2.94Å; H1034-T1036 PolarHBondContact CE1-OG1 3.43Å; H1034-A1080 CarbonylContact C-O 3.39Å; H1034-A1080 WeakPolarHBondContact CA-O 2.91Å; H1034-A1080 PolarHBondContact CD2-O 2.95Å; H1034-A1080 VanDerWaalsContact CD2-O 3.25Å; H1034-Q1082 PolarHBondContact CE1-OE1 3.29Å; H1034-Q1082 WeakPolarHBondContact NE2-CB 3.46Å; H1034-Q1082 PolarHBondContact NE2-OE1 3.24Å |
| 1035 | I | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 131.4 | 174.3 | -66.7 | 171.8 | 0 | 0 | 0 | 108.9 | V1012 L1014 A1024 V1027 V1028 I1037 V1079 A1080 I1081 Q1082 | V1012-I1035 WeakPolarHBondContact O-CA 3.44Å; L1014-I1035 HydrophobicContact CD1-CG2 4.08Å; L1014-I1035 HydrophobicContact CG-CG2 4.5Å; A1024-I1035 HydrophobicContact CB-CD1 3.99Å; V1027-I1035 HydrophobicContact CB-CD1 4.13Å; V1027-I1035 HydrophobicContact CG1-CD1 3.82Å; V1027-I1035 HydrophobicContact CG1-CG1 3.87Å; V1028-I1035 HydrophobicContact CG2-CD1 3.77Å; I1035-I1037 HydrophobicContact CG2-CD1 3.67Å; I1035-I1037 HydrophobicContact CG2-CG1 4.33Å; I1035-V1079 HydrophobicContact CB-CG2 4.36Å; I1035-V1079 HydrophobicContact CD1-CG2 3.93Å; I1035-V1079 HydrophobicContact CG1-CG2 3.81Å; I1035-A1080 PolarHBondContact N-O 3.4Å; I1035-I1081 CarbonylContact O-C 3.36Å; I1035-I1081 WeakPolarHBondContact O-CA 3.35Å; I1035-Q1082 PolarHBondContact O-N 2.91Å |
| 1036 | T | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.6 | 169.9 | -58 | 0 | 0 | 0 | 0 | 109.7 | Q943 V1012 K1013 L1014 H1034 Q1082 | Q943-T1036 PolarHBondContact NE2-OG1 3.46Å; V1012-T1036 PolarHBondContact O-N 2.92Å; K1013-T1036 HydrophobicContact CG-CG2 4.28Å; L1014-T1036 PolarHBondContact N-O 3.43Å; L1014-T1036 VanDerWaalsContact O-O 3.14Å; H1034-T1036 PolarHBondContact CE1-OG1 3.43Å; T1036-Q1082 CarbonylContact C-O 3.54Å; T1036-Q1082 VanDerWaalsContact CA-O 3.28Å; T1036-Q1082 WeakPolarHBondContact CA-O 3.43Å |
| 1037 | I | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 114.9 | 171.6 | -54.5 | -55.7 | 0 | 0 | 0 | 108.6 | L1014 V1020 I1035 L1063 T1066 I1081 Q1082 V1083 D1084 | L1014-I1037 HydrophobicContact CB-CD1 4.08Å; L1014-I1037 HydrophobicContact CD1-CD1 4.25Å; V1020-I1037 HydrophobicContact CG2-CD1 3.97Å; I1035-I1037 HydrophobicContact CG2-CD1 3.67Å; I1035-I1037 HydrophobicContact CG2-CG1 4.33Å; I1037-L1063 HydrophobicContact CB-CD1 4.44Å; I1037-L1063 HydrophobicContact CG1-CD1 4.45Å; I1037-T1066 HydrophobicContact CD1-CG2 4.28Å; I1037-T1066 WeakPolarHBondContact CD1-OG1 3.48Å; I1037-T1066 HydrophobicContact CG1-CG2 4.38Å; I1037-I1081 HydrophobicContact CG1-CG2 4.44Å; I1037-Q1082 PolarHBondContact N-O 2.71Å; I1037-V1083 WeakPolarHBondContact O-CA 3.39Å; I1037-D1084 PolarHBondContact O-N 3.1Å |
| 1038 | S | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 135.2 | -178.2 | -37.4 | 0 | 0 | 0 | 0 | 110.8 | K1013 L1014 V1015 S1016 D1084 | K1013-S1038 WeakPolarHBondContact CE-OG 3.37Å; L1014-S1038 WeakPolarHBondContact O-CB 3.15Å; L1014-S1038 PolarHBondContact O-N 3.26Å; L1014-S1038 PolarHBondContact O-OG 3.26Å; V1015-S1038 WeakPolarHBondContact CA-O 3.49Å; S1016-S1038 WeakPolarHBondContact CB-O 3.43Å; S1016-S1038 PolarHBondContact N-O 3.18Å; S1038-D1084 VanDerWaalsContact CA-OD1 3.25Å; S1038-D1084 WeakPolarHBondContact CA-OD1 3.44Å; S1038-D1084 WeakPolarHBondContact CB-OD1 3.35Å; S1038-D1084 PolarHBondContact OG-OD1 3.2Å |
| 1039 | G | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -78.7 | 155.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | G949 D1041 G1042 D1084 | G949-G1039 WeakPolarHBondContact CA-O 3.45Å; G1039-D1041 PolarHBondContact O-N 2.75Å; G1039-D1041 VanDerWaalsContact O-N 3.11Å; G1039-G1042 PolarHBondContact O-N 2.81Å; G1039-G1042 VanDerWaalsContact O-N 3.13Å; G1039-D1084 PolarHBondContact N-O 3.13Å | ||
| 1040 | H | 94.9 | Very high | 93.3 | Very high | 13 Ų | 13 | 17.2 Ų | 17.2 | 6% | 0.06 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -25.3 | 172.2 | 74.4 | -67.4 | 0 | 0 | 0 | 114 | G1042 G1056 V1057 P1058 | H1040-G1042 PolarHBondContact O-N 2.71Å; H1040-G1056 VanDerWaalsContact CB-C 3.5Å; H1040-G1056 WeakPolarHBondContact CB-O 3.22Å; H1040-V1057 PolarHBondContact N-O 2.93Å; H1040-V1057 VanDerWaalsContact ND1-C 3.34Å; H1040-V1057 PolarHBondContact ND1-O 3.28Å; H1040-P1058 WeakPolarHBondContact ND1-CA 3.36Å |
| 1041 | D | 93.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -0.1 | -178.3 | 61 | -16.4 | 0 | 0 | 0 | 113.8 | N488 R840 G1039 G1085 Q1086 | N488-D1041 WeakPolarHBondContact O-CA 3.47Å; N488-D1041 WeakPolarHBondContact O-CB 3.32Å; R840-D1041 IonicContact NH1-OD2 3.12Å; R840-D1041 IonicContact NH2-OD2 3.9Å; G1039-D1041 PolarHBondContact O-N 2.75Å; G1039-D1041 VanDerWaalsContact O-N 3.11Å; D1041-G1085 WeakPolarHBondContact OD1-CA 3.35Å; D1041-Q1086 HydrophobicContact CB-CG 3.75Å; D1041-Q1086 VanDerWaalsContact O-CG 3.29Å; D1041-Q1086 WeakPolarHBondContact O-CG 3.42Å; D1041-Q1086 PolarHBondContact O-NE2 2.7Å; D1041-Q1086 WeakPolarHBondContact OD2-CB 3.43Å |
| 1042 | G | 89.4 | Confident | 93.5 | Very high | 8 Ų | 8 | 11.3 Ų | 11.3 | 8% | 0.082 | 8% | 0.083 | C | C | . | . | trans | -59.2 | 141.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G487 A950 G1039 H1040 | G487-G1042 VanDerWaalsContact CA-O 3.3Å; G487-G1042 WeakPolarHBondContact CA-O 3.48Å; A950-G1042 WeakPolarHBondContact CB-O 3.4Å; G1039-G1042 PolarHBondContact O-N 2.81Å; G1039-G1042 VanDerWaalsContact O-N 3.13Å; H1040-G1042 PolarHBondContact O-N 2.71Å | ||
| 1043 | G | 90.8 | Very high | 93.5 | Very high | 44 Ų | 44 | 11.8 Ų | 11.8 | 45% | 0.454 | 8% | 0.084 | S | C | . | . | trans | -78.1 | 155.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1044 | T | 92.4 | Very high | 93.5 | Very high | 16 Ų | 16 | 9.2 Ų | 9.2 | 10% | 0.098 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 153.4 | 169.4 | -172.5 | 0 | 0 | 0 | 0 | 112.3 | M486 Q948 A950 A1046 I1052 | M486-T1044 PolarHBondContact N-O 3.22Å; M486-T1044 WeakPolarHBondContact O-CG2 3.44Å; M486-T1044 PolarHBondContact O-N 3.42Å; M486-T1044 VanDerWaalsContact O-N 3.11Å; Q948-T1044 PolarHBondContact NE2-OG1 3.32Å; A950-T1044 HydrophobicContact CB-CG2 3.63Å; T1044-A1046 PolarHBondContact OG1-N 3.44Å; T1044-A1046 PolarHBondContact OG1-O 3.23Å; T1044-I1052 HydrophobicContact CG2-CD1 4.05Å; T1044-I1052 HydrophobicContact CG2-CG1 4.14Å |
| 1045 | G | 88.7 | Confident | 93.4 | Very high | 47 Ų | 47 | 9.3 Ų | 9.3 | 49% | 0.485 | 7% | 0.073 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | -28.8 | 171 | 0 | 0 | 0 | 0 | 0 | 113.4 | S485 | S485-G1045 WeakPolarHBondContact CB-O 3.46Å |
| 1046 | A | 89.8 | Confident | 93.2 | Very high | 9 Ų | 9 | 9.3 Ų | 9.3 | 7% | 0.074 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 134.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | G484 K951 E957 T1044 | G484-A1046 WeakPolarHBondContact O-CA 3.43Å; K951-A1046 WeakPolarHBondContact CE-O 3.49Å; K951-A1046 PolarHBondContact NZ-O 2.9Å; E957-A1046 HydrophobicContact CB-CB 4.46Å; T1044-A1046 PolarHBondContact OG1-N 3.44Å; T1044-A1046 PolarHBondContact OG1-O 3.23Å |
| 1047 | S | 90.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 164.3 | 166.2 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | L483 G484 K951 | L483-S1047 CarbonylContact C-O 3.58Å; L483-S1047 WeakPolarHBondContact CA-O 3.3Å; G484-S1047 CarbonylContact C-O 3.57Å; G484-S1047 PolarHBondContact N-O 3.17Å; G484-S1047 PolarHBondContact O-N 3.39Å; G484-S1047 VanDerWaalsContact O-O 3.05Å; K951-S1047 WeakPolarHBondContact CB-OG 3.17Å |
| 1048 | S | 91.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 147.5 | 164.1 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | E481 K716 T1050 G1051 I1052 | E481-S1048 WeakPolarHBondContact OE1-CB 3.26Å; E481-S1048 PolarHBondContact OE1-OG 2.85Å; K716-S1048 PolarHBondContact NZ-OG 3.2Å; S1048-T1050 PolarHBondContact O-N 3.45Å; S1048-G1051 PolarHBondContact O-N 2.81Å; S1048-G1051 VanDerWaalsContact O-N 3.13Å; S1048-G1051 PolarHBondContact OG-N 3.49Å; S1048-I1052 WeakPolarHBondContact O-CG1 3.45Å; S1048-I1052 PolarHBondContact O-N 3.1Å; S1048-I1052 VanDerWaalsContact O-N 3.1Å |
| 1049 | W | 93.2 | Very high | 93.1 | Very high | 12 Ų | 12 | 10 Ų | 10 | 5% | 0.045 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -56.9 | -38 | 170 | -73.1 | 116.8 | 0 | 0 | 0 | 113.3 | I470 L471 A482 Y792 Y793 G1051 I1052 K1053 | I470-W1049 HydrophobicContact CG2-CZ2 4.25Å; L471-W1049 HydrophobicContact CD2-CB 4.1Å; L471-W1049 HydrophobicContact CD2-CG 4.17Å; A482-W1049 PolarHBondContact O-N 3.13Å; Y792-W1049 AromaticContact CD1-CD2 3.8Å; Y792-W1049 HydrophobicContact CD1-CD2 3.8Å; Y792-W1049 AromaticContact CD1-CE3 3.56Å; Y792-W1049 HydrophobicContact CD1-CE3 3.56Å; Y792-W1049 HydrophobicContact CD1-CG 4.32Å; Y792-W1049 HydrophobicContact CD1-CH2 4.4Å; Y792-W1049 AromaticContact CD1-CZ3 3.88Å; Y792-W1049 HydrophobicContact CD1-CZ3 3.88Å; Y792-W1049 HydrophobicContact CE1-CB 4.29Å; Y792-W1049 HydrophobicContact CE1-CD2 4.3Å; Y792-W1049 HydrophobicContact CE1-CE3 4.22Å; Y792-W1049 HydrophobicContact CE1-CG 4.37Å; Y793-W1049 HydrophobicContact CE1-CH2 4.05Å; Y793-W1049 HydrophobicContact CE1-CZ2 4.28Å; Y793-W1049 HydrophobicContact CE2-CZ2 4.38Å; Y793-W1049 AromaticContact CZ-CZ2 3.81Å; Y793-W1049 WeakPolarHBondContact OH-CZ2 3.3Å; W1049-G1051 VanDerWaalsContact C-N 3.32Å; W1049-G1051 PolarHBondContact O-N 3.01Å; W1049-I1052 HydrophobicContact CE3-CD1 4.3Å; W1049-I1052 PolarHBondContact O-N 3.38Å; W1049-K1053 HydrophobicContact CE3-CG 4.48Å; W1049-K1053 WeakPolarHBondContact O-CB 3.48Å; W1049-K1053 PolarHBondContact O-N 3.04Å |
| 1050 | T | 94 | Very high | 93 | Very high | 8 Ų | 8 | 11.1 Ų | 11.1 | 5% | 0.049 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -55.9 | -46 | 175.4 | -53.4 | 0 | 0 | 0 | 0 | 112 | E481 I661 H662 V717 S1048 H1054 | E481-T1050 VanDerWaalsContact OE2-CB 3.3Å; E481-T1050 WeakPolarHBondContact OE2-CB 3.49Å; E481-T1050 PolarHBondContact OE2-OG1 3.05Å; I661-T1050 HydrophobicContact CB-CG2 4.42Å; I661-T1050 HydrophobicContact CG2-CG2 4.38Å; H662-T1050 HydrophobicContact CB-CG2 4.22Å; V717-T1050 HydrophobicContact CG2-CG2 4Å; S1048-T1050 PolarHBondContact O-N 3.45Å; T1050-H1054 WeakPolarHBondContact O-CB 3.5Å; T1050-H1054 PolarHBondContact O-N 2.96Å; T1050-H1054 VanDerWaalsContact O-N 3.14Å |
| 1051 | G | 93.2 | Very high | 93 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.9 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A950 S1048 W1049 S1055 | A950-G1051 CarbonylContact O-C 3.55Å; A950-G1051 VanDerWaalsContact O-O 3.12Å; S1048-G1051 PolarHBondContact O-N 2.81Å; S1048-G1051 VanDerWaalsContact O-N 3.13Å; S1048-G1051 PolarHBondContact OG-N 3.49Å; W1049-G1051 VanDerWaalsContact C-N 3.32Å; W1049-G1051 PolarHBondContact O-N 3.01Å; G1051-S1055 WeakPolarHBondContact O-CB 3.28Å |
| 1052 | I | 94.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.7 | -45.6 | -177 | -64.6 | 169.3 | 0 | 0 | 0 | 111.1 | N488 A950 T1044 S1048 W1049 | N488-I1052 HydrophobicContact CB-CG2 4.34Å; N488-I1052 WeakPolarHBondContact CB-O 3.39Å; A950-I1052 HydrophobicContact CB-CG1 4.41Å; A950-I1052 WeakPolarHBondContact O-CA 3.39Å; A950-I1052 PolarHBondContact O-N 2.81Å; T1044-I1052 HydrophobicContact CG2-CD1 4.05Å; T1044-I1052 HydrophobicContact CG2-CG1 4.14Å; S1048-I1052 WeakPolarHBondContact O-CG1 3.45Å; S1048-I1052 PolarHBondContact O-N 3.1Å; S1048-I1052 VanDerWaalsContact O-N 3.1Å; W1049-I1052 HydrophobicContact CE3-CD1 4.3Å; W1049-I1052 PolarHBondContact O-N 3.38Å |
| 1053 | K | 94.5 | Very high | 93.4 | Very high | 14 Ų | 14 | 11.5 Ų | 11.5 | 6% | 0.061 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -89.4 | -24.1 | -169.9 | -67.9 | -59.2 | -168.6 | 179.1 | 0 | 114.8 | N488 V791 Y792 W1049 | N488-K1053 HydrophobicContact CB-CD 4.29Å; N488-K1053 WeakPolarHBondContact OD1-CD 3.46Å; N488-K1053 PolarHBondContact OD1-NZ 2.9Å; V791-K1053 VanDerWaalsContact O-CE 3.26Å; V791-K1053 WeakPolarHBondContact O-CE 3.44Å; V791-K1053 PolarHBondContact O-NZ 2.9Å; Y792-K1053 HydrophobicContact CD1-CG 4.31Å; Y792-K1053 HydrophobicContact CE1-CG 4.09Å; W1049-K1053 HydrophobicContact CE3-CG 4.48Å; W1049-K1053 WeakPolarHBondContact O-CB 3.48Å; W1049-K1053 PolarHBondContact O-N 3.04Å |
| 1054 | H | 95.8 | Very high | 93.6 | Very high | 19 Ų | 19 | 10.8 Ų | 10.8 | 9% | 0.088 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -131.7 | 20.9 | -166.4 | -52.1 | -74.7 | 0 | 0 | 0 | 114.8 | Q507 Q508 E660 H662 T1050 | Q507-H1054 VanDerWaalsContact OE1-CA 3.23Å; Q508-H1054 VanDerWaalsContact CB-O 3.31Å; Q508-H1054 WeakPolarHBondContact CB-O 3.31Å; Q508-H1054 WeakPolarHBondContact CG-O 3.34Å; Q508-H1054 PolarHBondContact N-O 2.84Å; E660-H1054 IonicContact OE2-NE2 2.9Å; H662-H1054 HydrophobicContact CB-CB 4.33Å; H662-H1054 AromaticContact CD2-CE1 3.84Å; H662-H1054 AromaticContact CD2-CG 3.63Å; H662-H1054 AromaticContact CD2-ND1 3.43Å; H662-H1054 PolarHBondContact CD2-ND1 3.05Å; H662-H1054 AromaticContact CE1-CG 3.98Å; H662-H1054 AromaticContact CG-CD2 3.74Å; H662-H1054 AromaticContact CG-CG 3.44Å; H662-H1054 VanDerWaalsContact CG-CG 3.44Å; H662-H1054 AromaticContact CG-ND1 3.75Å; H662-H1054 VanDerWaalsContact ND1-CB 3.3Å; H662-H1054 WeakPolarHBondContact ND1-CB 3.2Å; H662-H1054 AromaticContact ND1-CG 3.66Å; H662-H1054 AromaticContact NE2-CG 3.98Å; H662-H1054 AromaticContact NE2-ND1 3.73Å; T1050-H1054 WeakPolarHBondContact O-CB 3.5Å; T1050-H1054 PolarHBondContact O-N 2.96Å; T1050-H1054 VanDerWaalsContact O-N 3.14Å |
| 1055 | S | 94.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.007 | 7% | 0.074 | C | C | . | . | B | Isolated β-bridge | trans | -131.5 | 137.1 | -180 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | Q508 K720 G1051 | Q508-S1055 PolarHBondContact OE1-OG 2.86Å; K720-S1055 PolarHBondContact NZ-OG 3.15Å; G1051-S1055 WeakPolarHBondContact O-CB 3.28Å |
| 1056 | G | 93.3 | Very high | 94 | Very high | 1 Ų | 1 | 9.1 Ų | 9.1 | 1% | 0.01 | 5% | 0.05 | C | C | . | . | S | Bend | trans | 77.3 | 167 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q507 H1040 | Q507-G1056 PolarHBondContact OE1-O 3Å; H1040-G1056 VanDerWaalsContact CB-C 3.5Å; H1040-G1056 WeakPolarHBondContact CB-O 3.22Å |
| 1057 | V | 95.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 11.4 Ų | 11.4 | 1% | 0.012 | 6% | 0.059 | C | C | . | . | trans | -124.2 | 171.7 | 178.9 | -52.3 | 0 | 0 | 0 | 0 | 111.5 | Q507 E736 V738 S1016 H1040 W1059 L1061 | Q507-V1057 HydrophobicContact CB-CG1 3.96Å; Q507-V1057 HydrophobicContact CG-CG1 4.17Å; E736-V1057 HydrophobicContact CB-CG1 4.4Å; E736-V1057 HydrophobicContact CG-CG1 4.4Å; E736-V1057 WeakPolarHBondContact OE2-CG1 3.33Å; V738-V1057 HydrophobicContact CG2-CB 4.29Å; V738-V1057 HydrophobicContact CG2-CG1 3.92Å; S1016-V1057 WeakPolarHBondContact CB-O 2.84Å; S1016-V1057 WeakPolarHBondContact O-CG2 3.39Å; S1016-V1057 PolarHBondContact O-N 2.64Å; S1016-V1057 VanDerWaalsContact OG-CG2 3.24Å; S1016-V1057 WeakPolarHBondContact OG-CG2 3.35Å; H1040-V1057 PolarHBondContact N-O 2.93Å; H1040-V1057 VanDerWaalsContact ND1-C 3.34Å; H1040-V1057 PolarHBondContact ND1-O 3.28Å; V1057-W1059 PolarHBondContact O-N 2.94Å; V1057-L1061 HydrophobicContact CG2-CB 4.43Å; V1057-L1061 HydrophobicContact CG2-CD1 4.42Å | ||
| 1058 | P | 95.2 | Very high | 94.3 | Very high | 5 Ų | 5 | 16.6 Ų | 16.6 | 3% | 0.032 | 8% | 0.084 | C | C | . | . | trans | -52.8 | 139.9 | 174.9 | -27.2 | 36.2 | 0 | 0 | 0 | 111.8 | L492 I839 S1016 H1040 E1060 L1061 | L492-P1058 HydrophobicContact CD1-CG 3.76Å; L492-P1058 HydrophobicContact CD2-CG 3.88Å; L492-P1058 HydrophobicContact CG-CG 4.46Å; I839-P1058 HydrophobicContact CD1-CB 3.97Å; I839-P1058 HydrophobicContact CD1-CG 3.9Å; S1016-P1058 PolarHBondContact OG-O 3.09Å; H1040-P1058 WeakPolarHBondContact ND1-CA 3.36Å; P1058-E1060 WeakPolarHBondContact CB-OE2 3.12Å; P1058-E1060 PolarHBondContact O-N 3.04Å; P1058-L1061 PolarHBondContact O-N 3.32Å | ||
| 1059 | W | 94.7 | Very high | 94.4 | Very high | 8 Ų | 8 | 17.6 Ų | 17.6 | 3% | 0.03 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.9 | -23.3 | 179.7 | 56.1 | -103.7 | 0 | 0 | 0 | 111.6 | V1057 L1061 G1062 L1063 V1083 G1085 L1087 | V1057-W1059 PolarHBondContact O-N 2.94Å; W1059-L1061 PolarHBondContact O-N 2.71Å; W1059-G1062 PolarHBondContact O-N 3.39Å; W1059-L1063 HydrophobicContact CE3-CB 4.39Å; W1059-L1063 HydrophobicContact CE3-CD2 3.95Å; W1059-L1063 HydrophobicContact CZ3-CD2 3.97Å; W1059-L1063 WeakPolarHBondContact O-CA 3.3Å; W1059-L1063 WeakPolarHBondContact O-CB 3.33Å; W1059-L1063 PolarHBondContact O-N 3.32Å; W1059-V1083 HydrophobicContact CB-CG2 3.63Å; W1059-V1083 HydrophobicContact CD2-CG2 3.57Å; W1059-V1083 HydrophobicContact CE3-CG2 3.67Å; W1059-V1083 HydrophobicContact CG-CG2 3.56Å; W1059-G1085 PolarHBondContact NE1-O 3.16Å; W1059-G1085 VanDerWaalsContact NE1-O 3.1Å; W1059-L1087 HydrophobicContact CH2-CD2 4.42Å; W1059-L1087 HydrophobicContact CZ2-CD2 3.65Å |
| 1060 | E | 93.5 | Very high | 94.4 | Very high | 23 Ų | 23 | 17 Ų | 17 | 11% | 0.107 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -54.9 | -42.7 | 177.6 | -67.5 | 86.2 | 158.1 | 0 | 0 | 111.3 | I839 R840 P1058 A1064 | I839-E1060 HydrophobicContact CB-CG 4.44Å; R840-E1060 HydrophobicContact CB-CG 4.14Å; R840-E1060 VanDerWaalsContact CB-OE1 3.25Å; R840-E1060 WeakPolarHBondContact CB-OE1 3.34Å; R840-E1060 WeakPolarHBondContact CD-OE1 3.33Å; R840-E1060 WeakPolarHBondContact CG-OE1 3.41Å; R840-E1060 IonicContact CZ-OE1 3.96Å; R840-E1060 PolarHBondContact N-OE1 3.43Å; R840-E1060 IonicContact NE-OE1 3.05Å; R840-E1060 IonicContact NH1-OE1 3.37Å; R840-E1060 PolarHBondContact NH1-OE1 2.72Å; R840-E1060 IonicContact NH1-OE2 3.84Å; P1058-E1060 WeakPolarHBondContact CB-OE2 3.12Å; P1058-E1060 PolarHBondContact O-N 3.04Å; E1060-A1064 VanDerWaalsContact O-CB 3.29Å; E1060-A1064 WeakPolarHBondContact O-CB 3.33Å; E1060-A1064 PolarHBondContact O-N 3.38Å |
| 1061 | L | 95.1 | Very high | 94.3 | Very high | 29 Ų | 29 | 20.5 Ų | 20.5 | 15% | 0.152 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71.2 | -50.6 | 179.9 | -61.9 | 176.8 | 0 | 0 | 0 | 111.3 | I839 V1057 P1058 W1059 L1063 A1064 E1065 | I839-L1061 HydrophobicContact CD1-CD1 4.22Å; I839-L1061 HydrophobicContact CD1-CD2 4.26Å; I839-L1061 HydrophobicContact CD1-CG 4.05Å; V1057-L1061 HydrophobicContact CG2-CB 4.43Å; V1057-L1061 HydrophobicContact CG2-CD1 4.42Å; P1058-L1061 PolarHBondContact O-N 3.32Å; W1059-L1061 PolarHBondContact O-N 2.71Å; L1061-L1063 PolarHBondContact O-N 3.38Å; L1061-A1064 PolarHBondContact O-N 3.4Å; L1061-E1065 WeakPolarHBondContact O-CB 3.42Å; L1061-E1065 PolarHBondContact O-N 3.46Å |
| 1062 | G | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.7 | -38.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1016 W1059 E1065 T1066 | S1016-G1062 WeakPolarHBondContact OG-CA 3.2Å; S1016-G1062 PolarHBondContact OG-N 3.04Å; W1059-G1062 PolarHBondContact O-N 3.39Å; G1062-E1065 PolarHBondContact O-N 2.91Å; G1062-T1066 WeakPolarHBondContact O-CB 3.44Å; G1062-T1066 PolarHBondContact O-N 3.11Å; G1062-T1066 PolarHBondContact O-OG1 2.85Å |
| 1063 | L | 95 | Very high | 93.6 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.1 | -46.1 | 178.1 | -168.5 | 68.4 | 0 | 0 | 0 | 111.5 | I1037 W1059 L1061 H1067 I1081 V1083 L1100 | I1037-L1063 HydrophobicContact CB-CD1 4.44Å; I1037-L1063 HydrophobicContact CG1-CD1 4.45Å; W1059-L1063 HydrophobicContact CE3-CB 4.39Å; W1059-L1063 HydrophobicContact CE3-CD2 3.95Å; W1059-L1063 HydrophobicContact CZ3-CD2 3.97Å; W1059-L1063 WeakPolarHBondContact O-CA 3.3Å; W1059-L1063 WeakPolarHBondContact O-CB 3.33Å; W1059-L1063 PolarHBondContact O-N 3.32Å; L1061-L1063 PolarHBondContact O-N 3.38Å; L1063-H1067 WeakPolarHBondContact O-CB 3.48Å; L1063-H1067 PolarHBondContact O-N 3.4Å; L1063-I1081 HydrophobicContact CD1-CG2 3.73Å; L1063-V1083 HydrophobicContact CD1-CB 4.03Å; L1063-V1083 HydrophobicContact CD2-CB 4.28Å; L1063-V1083 HydrophobicContact CD2-CG1 4.25Å; L1063-V1083 HydrophobicContact CD2-CG2 4.44Å; L1063-L1100 HydrophobicContact CD1-CD1 3.16Å; L1063-L1100 HydrophobicContact CD2-CD1 3.93Å; L1063-L1100 HydrophobicContact CG-CD1 3.48Å; L1063-L1100 VanDerWaalsContact CG-CD1 3.48Å; L1063-L1100 HydrophobicContact CG-CG 4.47Å |
| 1064 | A | 94.1 | Very high | 93.4 | Very high | 29 Ų | 29 | 32.4 Ų | 32.4 | 24% | 0.24 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E1060 L1061 H1067 Q1068 | E1060-A1064 VanDerWaalsContact O-CB 3.29Å; E1060-A1064 WeakPolarHBondContact O-CB 3.33Å; E1060-A1064 PolarHBondContact O-N 3.38Å; L1061-A1064 PolarHBondContact O-N 3.4Å; A1064-H1067 PolarHBondContact O-N 2.87Å; A1064-Q1068 WeakPolarHBondContact O-CB 3.33Å; A1064-Q1068 WeakPolarHBondContact O-CG 3.32Å; A1064-Q1068 PolarHBondContact O-N 3.32Å |
| 1065 | E | 95 | Very high | 93.1 | Very high | 29 Ų | 29 | 31.6 Ų | 31.6 | 14% | 0.136 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.6 | -49 | 177.8 | -169 | -172.4 | 126.9 | 0 | 0 | 111.6 | R755 G1019 V1020 G1021 L1061 G1062 H1067 Q1068 V1069 | R755-E1065 IonicContact CZ-OE2 3.27Å; R755-E1065 IonicContact NH1-OE2 3.92Å; R755-E1065 PolarHBondContact NH1-OE2 3.02Å; G1019-E1065 WeakPolarHBondContact CA-OE1 3.28Å; G1019-E1065 PolarHBondContact N-OE1 2.87Å; G1019-E1065 PolarHBondContact N-OE2 2.83Å; V1020-E1065 PolarHBondContact N-OE1 2.92Å; V1020-E1065 VanDerWaalsContact N-OE1 3.16Å; G1021-E1065 PolarHBondContact N-OE1 3.1Å; L1061-E1065 WeakPolarHBondContact O-CB 3.42Å; L1061-E1065 PolarHBondContact O-N 3.46Å; G1062-E1065 PolarHBondContact O-N 2.91Å; E1065-H1067 VanDerWaalsContact C-N 3.3Å; E1065-H1067 PolarHBondContact O-N 3.43Å; E1065-Q1068 PolarHBondContact O-N 2.96Å; E1065-V1069 HydrophobicContact CG-CG2 4.19Å; E1065-V1069 WeakPolarHBondContact O-CB 3.41Å; E1065-V1069 VanDerWaalsContact O-CG2 3.3Å; E1065-V1069 WeakPolarHBondContact O-CG2 2.75Å; E1065-V1069 PolarHBondContact O-N 3.49Å |
| 1066 | T | 95 | Very high | 93 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.4 | -44.2 | 176.4 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | A1024 I1037 G1062 L1070 I1081 | A1024-T1066 HydrophobicContact CB-CG2 3.57Å; I1037-T1066 HydrophobicContact CD1-CG2 4.28Å; I1037-T1066 WeakPolarHBondContact CD1-OG1 3.48Å; I1037-T1066 HydrophobicContact CG1-CG2 4.38Å; G1062-T1066 WeakPolarHBondContact O-CB 3.44Å; G1062-T1066 PolarHBondContact O-N 3.11Å; G1062-T1066 PolarHBondContact O-OG1 2.85Å; T1066-L1070 HydrophobicContact CG2-CD1 3.68Å; T1066-L1070 HydrophobicContact CG2-CG 4.38Å; T1066-L1070 VanDerWaalsContact O-CB 3.3Å; T1066-L1070 WeakPolarHBondContact O-CB 3.48Å; T1066-L1070 WeakPolarHBondContact O-CD1 3.3Å; T1066-L1070 WeakPolarHBondContact O-CG 3.38Å; T1066-L1070 PolarHBondContact O-N 2.92Å; T1066-L1070 VanDerWaalsContact O-N 3.08Å; T1066-I1081 HydrophobicContact CG2-CD1 3.99Å |
| 1067 | H | 94.5 | Very high | 92.8 | Very high | 56 Ų | 56 | 38 Ų | 38 | 26% | 0.259 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.3 | -51.1 | 177.8 | -175.3 | 40.2 | 0 | 0 | 0 | 111.9 | L1063 A1064 E1065 L1070 V1071 R1076 C1099 L1100 | L1063-H1067 WeakPolarHBondContact O-CB 3.48Å; L1063-H1067 PolarHBondContact O-N 3.4Å; A1064-H1067 PolarHBondContact O-N 2.87Å; E1065-H1067 VanDerWaalsContact C-N 3.3Å; E1065-H1067 PolarHBondContact O-N 3.43Å; H1067-L1070 PolarHBondContact O-N 3.46Å; H1067-V1071 VanDerWaalsContact O-CG2 3.29Å; H1067-V1071 WeakPolarHBondContact O-CG2 3.35Å; H1067-V1071 PolarHBondContact O-N 3.44Å; H1067-R1076 PolarHBondContact ND1-NE 2.77Å; H1067-C1099 PolarHBondContact CD2-O 3.11Å; H1067-C1099 PolarHBondContact NE2-O 2.85Å; H1067-L1100 HydrophobicContact CB-CD2 3.83Å; H1067-L1100 HydrophobicContact CB-CG 4.41Å; H1067-L1100 WeakPolarHBondContact ND1-CD2 3.39Å |
| 1068 | Q | 93.7 | Very high | 92.6 | Very high | 109 Ų | 109 | 42.6 Ų | 42.6 | 51% | 0.509 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.3 | -49 | -177.2 | -72.4 | 169.3 | 1.6 | 0 | 0 | 111.4 | A1064 E1065 L1070 V1071 M1072 | A1064-Q1068 WeakPolarHBondContact O-CB 3.33Å; A1064-Q1068 WeakPolarHBondContact O-CG 3.32Å; A1064-Q1068 PolarHBondContact O-N 3.32Å; E1065-Q1068 PolarHBondContact O-N 2.96Å; Q1068-L1070 PolarHBondContact O-N 2.81Å; Q1068-V1071 PolarHBondContact O-N 3.01Å; Q1068-M1072 HydrophobicContact CB-CE 4.45Å; Q1068-M1072 WeakPolarHBondContact O-CB 3.48Å; Q1068-M1072 VanDerWaalsContact O-CG 3.25Å; Q1068-M1072 WeakPolarHBondContact O-CG 3.28Å; Q1068-M1072 PolarHBondContact O-N 2.97Å |
| 1069 | V | 92.7 | Very high | 92.6 | Very high | 22 Ų | 22 | 42.8 Ų | 42.8 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63 | -45.2 | -179.6 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | G1021 A1025 E1065 V1071 M1072 N1073 | G1021-V1069 VanDerWaalsContact O-CG1 3.28Å; G1021-V1069 WeakPolarHBondContact O-CG1 3.35Å; A1025-V1069 HydrophobicContact CB-CG1 4.2Å; E1065-V1069 HydrophobicContact CG-CG2 4.19Å; E1065-V1069 WeakPolarHBondContact O-CB 3.41Å; E1065-V1069 VanDerWaalsContact O-CG2 3.3Å; E1065-V1069 WeakPolarHBondContact O-CG2 2.75Å; E1065-V1069 PolarHBondContact O-N 3.49Å; V1069-V1071 VanDerWaalsContact C-N 3.27Å; V1069-V1071 PolarHBondContact O-N 3.1Å; V1069-M1072 PolarHBondContact O-N 2.86Å; V1069-N1073 WeakPolarHBondContact CG1-ND2 3.47Å; V1069-N1073 WeakPolarHBondContact O-CB 3.35Å; V1069-N1073 PolarHBondContact O-N 3.04Å; V1069-N1073 PolarHBondContact O-ND2 3.43Å |
| 1070 | L | 92.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.1 | -32 | 178.1 | -71.4 | 172.7 | 0 | 0 | 0 | 113.1 | A1025 V1028 T1066 H1067 Q1068 D1074 L1075 R1076 V1079 I1081 | A1025-L1070 HydrophobicContact CB-CD2 4.23Å; V1028-L1070 HydrophobicContact CB-CD2 4.37Å; V1028-L1070 HydrophobicContact CG2-CD2 3.73Å; T1066-L1070 HydrophobicContact CG2-CD1 3.68Å; T1066-L1070 HydrophobicContact CG2-CG 4.38Å; T1066-L1070 VanDerWaalsContact O-CB 3.3Å; T1066-L1070 WeakPolarHBondContact O-CB 3.48Å; T1066-L1070 WeakPolarHBondContact O-CD1 3.3Å; T1066-L1070 WeakPolarHBondContact O-CG 3.38Å; T1066-L1070 PolarHBondContact O-N 2.92Å; T1066-L1070 VanDerWaalsContact O-N 3.08Å; H1067-L1070 PolarHBondContact O-N 3.46Å; Q1068-L1070 PolarHBondContact O-N 2.81Å; L1070-D1074 PolarHBondContact O-N 2.82Å; L1070-L1075 HydrophobicContact CD2-CB 3.77Å; L1070-L1075 HydrophobicContact CD2-CD1 4.42Å; L1070-L1075 PolarHBondContact O-N 3.42Å; L1070-R1076 HydrophobicContact CB-CB 3.9Å; L1070-R1076 PolarHBondContact O-N 3.14Å; L1070-V1079 HydrophobicContact CD1-CG1 3.83Å; L1070-I1081 HydrophobicContact CD1-CD1 3.72Å; L1070-I1081 HydrophobicContact CD1-CG1 4.41Å |
| 1071 | V | 92.9 | Very high | 92.6 | Very high | 80 Ų | 80 | 42 Ų | 42 | 49% | 0.485 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -71 | -46.5 | 173.5 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | H1067 Q1068 V1069 N1073 D1074 R1076 | H1067-V1071 VanDerWaalsContact O-CG2 3.29Å; H1067-V1071 WeakPolarHBondContact O-CG2 3.35Å; H1067-V1071 PolarHBondContact O-N 3.44Å; Q1068-V1071 PolarHBondContact O-N 3.01Å; V1069-V1071 VanDerWaalsContact C-N 3.27Å; V1069-V1071 PolarHBondContact O-N 3.1Å; V1071-N1073 PolarHBondContact O-N 3.14Å; V1071-D1074 PolarHBondContact O-N 3.25Å; V1071-D1074 VanDerWaalsContact O-N 3.1Å; V1071-R1076 HydrophobicContact CG2-CB 3.82Å; V1071-R1076 HydrophobicContact CG2-CG 3.89Å |
| 1072 | M | 89.4 | Confident | 92.6 | Very high | 142 Ų | 142 | 40.9 Ų | 40.9 | 70% | 0.7 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -59.2 | -28.8 | 177.8 | -71.6 | 173.9 | -176.3 | 0 | 0 | 112.9 | Q1068 V1069 | Q1068-M1072 HydrophobicContact CB-CE 4.45Å; Q1068-M1072 WeakPolarHBondContact O-CB 3.48Å; Q1068-M1072 VanDerWaalsContact O-CG 3.25Å; Q1068-M1072 WeakPolarHBondContact O-CG 3.28Å; Q1068-M1072 PolarHBondContact O-N 2.97Å; V1069-M1072 PolarHBondContact O-N 2.86Å |
| 1073 | N | 84.9 | Confident | 92.5 | Very high | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.064 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 6.4 | -179.1 | -69.6 | -100.3 | 0 | 0 | 0 | 113.1 | T219 V1069 V1071 L1075 | T219-N1073 WeakPolarHBondContact CA-OD1 3.46Å; T219-N1073 WeakPolarHBondContact CB-OD1 3.06Å; T219-N1073 HydrophobicContact CG2-CB 3.85Å; T219-N1073 PolarHBondContact N-OD1 3.4Å; T219-N1073 WeakPolarHBondContact OG1-CA 3.04Å; T219-N1073 WeakPolarHBondContact OG1-CB 3.41Å; T219-N1073 VanDerWaalsContact OG1-CG 3.23Å; T219-N1073 PolarHBondContact OG1-O 3.42Å; T219-N1073 PolarHBondContact OG1-OD1 3.45Å; V1069-N1073 WeakPolarHBondContact CG1-ND2 3.47Å; V1069-N1073 WeakPolarHBondContact O-CB 3.35Å; V1069-N1073 PolarHBondContact O-N 3.04Å; V1069-N1073 PolarHBondContact O-ND2 3.43Å; V1071-N1073 PolarHBondContact O-N 3.14Å; N1073-L1075 HydrophobicContact CB-CD1 4.19Å; N1073-L1075 HydrophobicContact CB-CG 4.24Å; N1073-L1075 WeakPolarHBondContact O-CG 3.46Å; N1073-L1075 PolarHBondContact O-N 3.01Å |
| 1074 | D | 88.3 | Confident | 92.3 | Very high | 111 Ų | 111 | 41.4 Ų | 41.4 | 59% | 0.594 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 36 | -175.6 | -161.8 | 30 | 0 | 0 | 0 | 114.4 | C44 L1070 V1071 | C44-D1074 HydrophobicContact CB-CB 4.31Å; L1070-D1074 PolarHBondContact O-N 2.82Å; V1071-D1074 PolarHBondContact O-N 3.25Å; V1071-D1074 VanDerWaalsContact O-N 3.1Å |
| 1075 | L | 90.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | trans | -108.7 | -14 | 179.9 | -69.2 | 179.5 | 0 | 0 | 0 | 112.9 | T219 A1025 V1028 K1029 L1070 N1073 S1077 R1078 | T219-L1075 HydrophobicContact CG2-CD1 3.62Å; T219-L1075 HydrophobicContact CG2-CG 4.12Å; A1025-L1075 HydrophobicContact CB-CD1 3.98Å; V1028-L1075 HydrophobicContact CB-CB 4.5Å; V1028-L1075 HydrophobicContact CB-CD1 4.39Å; V1028-L1075 HydrophobicContact CG1-CB 4.08Å; V1028-L1075 HydrophobicContact CG1-CD2 4.2Å; V1028-L1075 HydrophobicContact CG1-CG 4.5Å; K1029-L1075 HydrophobicContact CG-CD1 4.18Å; L1070-L1075 HydrophobicContact CD2-CB 3.77Å; L1070-L1075 HydrophobicContact CD2-CD1 4.42Å; L1070-L1075 PolarHBondContact O-N 3.42Å; N1073-L1075 HydrophobicContact CB-CD1 4.19Å; N1073-L1075 HydrophobicContact CB-CG 4.24Å; N1073-L1075 WeakPolarHBondContact O-CG 3.46Å; N1073-L1075 PolarHBondContact O-N 3.01Å; L1075-S1077 PolarHBondContact O-N 2.85Å; L1075-R1078 WeakPolarHBondContact O-CB 3.33Å; L1075-R1078 PolarHBondContact O-N 3.4Å | ||
| 1076 | R | 91.9 | Very high | 91.7 | Very high | 35 Ų | 35 | 39.6 Ų | 39.6 | 13% | 0.132 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -60.5 | -31.2 | -172.2 | -179.9 | 59.1 | -171 | 87.5 | -1.9 | 113.6 | H1067 L1070 V1071 R1078 V1079 L1100 Q1101 | H1067-R1076 PolarHBondContact ND1-NE 2.77Å; L1070-R1076 HydrophobicContact CB-CB 3.9Å; L1070-R1076 PolarHBondContact O-N 3.14Å; V1071-R1076 HydrophobicContact CG2-CB 3.82Å; V1071-R1076 HydrophobicContact CG2-CG 3.89Å; R1076-R1078 VanDerWaalsContact C-N 3.27Å; R1076-R1078 PolarHBondContact O-N 2.87Å; R1076-V1079 PolarHBondContact NH1-O 3.5Å; R1076-L1100 VanDerWaalsContact NE-CD2 3.34Å; R1076-L1100 VanDerWaalsContact NH2-CD2 3.29Å; R1076-Q1101 PolarHBondContact NH2-O 2.93Å |
| 1077 | S | 90.9 | Very high | 91.4 | Very high | 102 Ų | 102 | 40 Ų | 40 | 71% | 0.713 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -69.1 | -23.2 | 179 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | L1075 | L1075-S1077 PolarHBondContact O-N 2.85Š|
| 1078 | R | 90.6 | Very high | 91 | Very high | 99 Ų | 99 | 38.9 Ų | 38.9 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -83.1 | -13.4 | -173.8 | -58.2 | -176.9 | -179.7 | -144.7 | -8 | 113.9 | C44 D46 V1028 L1075 R1076 | C44-R1078 PolarHBondContact O-NH2 2.83Å; D46-R1078 IonicContact OD1-NH1 3.94Å; D46-R1078 IonicContact OD2-CZ 2.98Å; D46-R1078 IonicContact OD2-NH1 3.5Å; D46-R1078 PolarHBondContact OD2-NH1 2.95Å; D46-R1078 VanDerWaalsContact OD2-NH1 3.16Å; D46-R1078 IonicContact OD2-NH2 3.63Å; D46-R1078 PolarHBondContact OD2-NH2 3.28Å; V1028-R1078 HydrophobicContact CG1-CB 3.85Å; L1075-R1078 WeakPolarHBondContact O-CB 3.33Å; L1075-R1078 PolarHBondContact O-N 3.4Å; R1076-R1078 VanDerWaalsContact C-N 3.27Å; R1076-R1078 PolarHBondContact O-N 2.87Å |
| 1079 | V | 94 | Very high | 90.5 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 5% | 0.048 | 18% | 0.179 | C | C | . | . | trans | -135.3 | 143.8 | -169.9 | 71.9 | 0 | 0 | 0 | 0 | 112.1 | V1028 I1035 L1070 R1076 I1081 | V1028-V1079 HydrophobicContact CG2-CB 3.7Å; V1028-V1079 HydrophobicContact CG2-CG1 3.62Å; V1028-V1079 HydrophobicContact CG2-CG2 3.99Å; I1035-V1079 HydrophobicContact CB-CG2 4.36Å; I1035-V1079 HydrophobicContact CD1-CG2 3.93Å; I1035-V1079 HydrophobicContact CG1-CG2 3.81Å; L1070-V1079 HydrophobicContact CD1-CG1 3.83Å; R1076-V1079 PolarHBondContact NH1-O 3.5Å; V1079-I1081 HydrophobicContact CG1-CG1 4.34Å | ||
| 1080 | A | 94.9 | Very high | 89.7 | Confident | 14 Ų | 14 | 34.6 Ų | 34.6 | 12% | 0.116 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 138 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | E1033 H1034 I1035 | E1033-A1080 PolarHBondContact O-N 2.77Å; H1034-A1080 CarbonylContact C-O 3.39Å; H1034-A1080 WeakPolarHBondContact CA-O 2.91Å; H1034-A1080 PolarHBondContact CD2-O 2.95Å; H1034-A1080 VanDerWaalsContact CD2-O 3.25Å; I1035-A1080 PolarHBondContact N-O 3.4Å |
| 1081 | I | 94.8 | Very high | 88.5 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 134.7 | 177.7 | -57.4 | 170.2 | 0 | 0 | 0 | 108.8 | I1035 I1037 L1063 T1066 L1070 V1079 L1100 | I1035-I1081 CarbonylContact O-C 3.36Å; I1035-I1081 WeakPolarHBondContact O-CA 3.35Å; I1037-I1081 HydrophobicContact CG1-CG2 4.44Å; L1063-I1081 HydrophobicContact CD1-CG2 3.73Å; T1066-I1081 HydrophobicContact CG2-CD1 3.99Å; L1070-I1081 HydrophobicContact CD1-CD1 3.72Å; L1070-I1081 HydrophobicContact CD1-CG1 4.41Å; V1079-I1081 HydrophobicContact CG1-CG1 4.34Å; I1081-L1100 HydrophobicContact CB-CD1 3.86Å; I1081-L1100 HydrophobicContact CB-CD2 4.36Å; I1081-L1100 HydrophobicContact CD1-CD1 4.33Å; I1081-L1100 HydrophobicContact CD1-CD2 3.73Å; I1081-L1100 HydrophobicContact CG2-CD1 3.53Å |
| 1082 | Q | 93.6 | Very high | 86.4 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.019 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 152.6 | 174.4 | -180 | 176 | -60.7 | 0 | 0 | 109.6 | H1034 I1035 T1036 I1037 H1103 N1105 | H1034-Q1082 PolarHBondContact CE1-OE1 3.29Å; H1034-Q1082 WeakPolarHBondContact NE2-CB 3.46Å; H1034-Q1082 PolarHBondContact NE2-OE1 3.24Å; I1035-Q1082 PolarHBondContact O-N 2.91Å; T1036-Q1082 CarbonylContact C-O 3.54Å; T1036-Q1082 VanDerWaalsContact CA-O 3.28Å; T1036-Q1082 WeakPolarHBondContact CA-O 3.43Å; I1037-Q1082 PolarHBondContact N-O 2.71Å; Q1082-H1103 WeakPolarHBondContact CA-O 3.32Å; Q1082-H1103 HydrophobicContact CB-CB 4.37Å; Q1082-N1105 PolarHBondContact NE2-ND2 2.8Å; Q1082-N1105 PolarHBondContact NE2-OD1 3.46Å |
| 1083 | V | 93.2 | Very high | 84.5 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144.1 | 177.7 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | I1037 W1059 L1063 L1087 F1104 N1105 | I1037-V1083 WeakPolarHBondContact O-CA 3.39Å; W1059-V1083 HydrophobicContact CB-CG2 3.63Å; W1059-V1083 HydrophobicContact CD2-CG2 3.57Å; W1059-V1083 HydrophobicContact CE3-CG2 3.67Å; W1059-V1083 HydrophobicContact CG-CG2 3.56Å; L1063-V1083 HydrophobicContact CD1-CB 4.03Å; L1063-V1083 HydrophobicContact CD2-CB 4.28Å; L1063-V1083 HydrophobicContact CD2-CG1 4.25Å; L1063-V1083 HydrophobicContact CD2-CG2 4.44Å; V1083-L1087 HydrophobicContact CG1-CD1 4.12Å; V1083-F1104 HydrophobicContact CG1-CD1 4Å; V1083-F1104 HydrophobicContact CG1-CE1 4.46Å; V1083-N1105 PolarHBondContact O-N 3.48Å; V1083-N1105 VanDerWaalsContact O-N 3.12Å |
| 1084 | D | 91.7 | Very high | 82.5 | Confident | 11 Ų | 11 | 33.1 Ų | 33.1 | 6% | 0.059 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 158.9 | 167 | 76.4 | 27.4 | 0 | 0 | 0 | 111.8 | K1013 I1037 S1038 G1039 N1105 | K1013-D1084 WeakPolarHBondContact CE-OD2 3.41Å; K1013-D1084 IonicContact NZ-OD1 3.93Å; K1013-D1084 IonicContact NZ-OD2 2.86Å; K1013-D1084 PolarHBondContact NZ-OD2 3.09Å; I1037-D1084 PolarHBondContact O-N 3.1Å; S1038-D1084 VanDerWaalsContact CA-OD1 3.25Å; S1038-D1084 WeakPolarHBondContact CA-OD1 3.44Å; S1038-D1084 WeakPolarHBondContact CB-OD1 3.35Å; S1038-D1084 PolarHBondContact OG-OD1 3.2Å; G1039-D1084 PolarHBondContact N-O 3.13Å; D1084-N1105 HydrophobicContact CB-CB 3.62Å; D1084-N1105 WeakPolarHBondContact CB-ND2 3.38Å; D1084-N1105 PolarHBondContact OD2-ND2 3.06Å |
| 1085 | G | 89.5 | Confident | 80.2 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 134.7 | 93.6 | -172 | 0 | 0 | 0 | 0 | 0 | 112 | D1041 W1059 L1087 | D1041-G1085 WeakPolarHBondContact OD1-CA 3.35Å; W1059-G1085 PolarHBondContact NE1-O 3.16Å; W1059-G1085 VanDerWaalsContact NE1-O 3.1Å; G1085-L1087 PolarHBondContact O-N 2.98Å |
| 1086 | Q | 87.6 | Confident | 77.7 | Confident | 18 Ų | 18 | 29 Ų | 29 | 8% | 0.084 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 38.6 | 45.4 | 178.9 | -56.2 | -69.1 | -10.1 | 0 | 0 | 115.2 | L802 D1041 R1088 R1092 | L802-Q1086 HydrophobicContact CD1-CB 3.78Å; L802-Q1086 HydrophobicContact CD1-CG 4Å; D1041-Q1086 HydrophobicContact CB-CG 3.75Å; D1041-Q1086 VanDerWaalsContact O-CG 3.29Å; D1041-Q1086 WeakPolarHBondContact O-CG 3.42Å; D1041-Q1086 PolarHBondContact O-NE2 2.7Å; D1041-Q1086 WeakPolarHBondContact OD2-CB 3.43Å; Q1086-R1088 PolarHBondContact O-N 3.14Å; Q1086-R1092 PolarHBondContact O-NH1 3.12Å |
| 1087 | L | 87.7 | Confident | 75.5 | Confident | 10 Ų | 10 | 30.6 Ų | 30.6 | 5% | 0.052 | 17% | 0.167 | C | C | . | . | trans | -79.2 | 110.3 | 174.8 | -63.4 | 176.8 | 0 | 0 | 0 | 109.6 | W1059 V1083 G1085 N1105 | W1059-L1087 HydrophobicContact CH2-CD2 4.42Å; W1059-L1087 HydrophobicContact CZ2-CD2 3.65Å; V1083-L1087 HydrophobicContact CG1-CD1 4.12Å; G1085-L1087 PolarHBondContact O-N 2.98Å; L1087-N1105 WeakPolarHBondContact CD1-O 3.26Å | ||
| 1088 | R | 85.9 | Confident | 73.1 | Confident | 32 Ų | 32 | 33.5 Ų | 33.5 | 12% | 0.121 | 17% | 0.167 | C | C | . | . | trans | -120.9 | -26.7 | -169.4 | -56.7 | 178.1 | 80.1 | -149 | 4.1 | 115.9 | L802 S807 F826 S830 Q1086 | L802-R1088 PolarHBondContact O-NH1 3.25Å; S807-R1088 PolarHBondContact OG-NH1 3.19Å; S807-R1088 PolarHBondContact OG-NH2 3.08Å; F826-R1088 WeakPolarHBondContact CE1-O 3.39Å; F826-R1088 HydrophobicContact CZ-CB 4.05Å; F826-R1088 WeakPolarHBondContact CZ-O 3.33Å; S830-R1088 PolarHBondContact OG-NH1 3.13Å; Q1086-R1088 PolarHBondContact O-N 3.14Å | ||
| 1089 | T | 82.8 | Confident | 70.5 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -131 | 154 | -171.1 | 65.4 | 0 | 0 | 0 | 0 | 113.6 | F826 A827 N831 K1091 R1092 | F826-T1089 HydrophobicContact CE1-CG2 4.23Å; F826-T1089 HydrophobicContact CZ-CG2 4.45Å; A827-T1089 HydrophobicContact CB-CG2 4.31Å; N831-T1089 PolarHBondContact OD1-OG1 2.78Å; T1089-K1091 PolarHBondContact O-N 3.39Å; T1089-R1092 VanDerWaalsContact O-CB 3.22Å; T1089-R1092 WeakPolarHBondContact O-CB 3.48Å; T1089-R1092 WeakPolarHBondContact O-CG 3.46Å; T1089-R1092 PolarHBondContact O-N 3.35Å; T1089-R1092 VanDerWaalsContact O-N 3.09Å; T1089-R1092 WeakPolarHBondContact OG1-CG 3.46Å; T1089-R1092 PolarHBondContact OG1-NE 2.97Å |
| 1090 | G | 76.7 | Confident | 67.6 | Low | 37 Ų | 37 | 31.4 Ų | 31.4 | 38% | 0.381 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -37.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R1092 Y1093 | G1090-R1092 PolarHBondContact O-N 3.46Å; G1090-Y1093 WeakPolarHBondContact O-CD2 3.08Å; G1090-Y1093 PolarHBondContact O-N 3Å |
| 1091 | K | 66.7 | Low | 64.6 | Low | 106 Ų | 106 | 37.1 Ų | 37.1 | 46% | 0.461 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -55.2 | -23.4 | 175.2 | -171.9 | 177.5 | -179.7 | -179.1 | 0 | 112.5 | L845 T1089 S1094 | L845-K1091 HydrophobicContact CD1-CG 4.41Å; T1089-K1091 PolarHBondContact O-N 3.39Å; K1091-S1094 PolarHBondContact O-OG 2.98Å |
| 1092 | R | 49.9 | Very low | 62.5 | Low | 9 Ų | 9 | 44 Ų | 44 | 3% | 0.034 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -76.3 | -30.7 | 179.5 | -57.3 | 174.4 | -160.9 | -151.4 | -6.9 | 112.4 | S830 N834 Q1086 T1089 G1090 S1094 N1095 A1096 | S830-R1092 PolarHBondContact O-NH2 3.38Å; S830-R1092 PolarHBondContact OG-NH2 3.14Å; N834-R1092 VanDerWaalsContact CG-CZ 3.42Å; N834-R1092 PolarHBondContact ND2-NE 3.42Å; N834-R1092 PolarHBondContact ND2-NH2 3.31Å; N834-R1092 PolarHBondContact OD1-NH1 2.88Å; N834-R1092 PolarHBondContact OD1-NH2 3Å; Q1086-R1092 PolarHBondContact O-NH1 3.12Å; T1089-R1092 VanDerWaalsContact O-CB 3.22Å; T1089-R1092 WeakPolarHBondContact O-CB 3.48Å; T1089-R1092 WeakPolarHBondContact O-CG 3.46Å; T1089-R1092 PolarHBondContact O-N 3.35Å; T1089-R1092 VanDerWaalsContact O-N 3.09Å; T1089-R1092 WeakPolarHBondContact OG1-CG 3.46Å; T1089-R1092 PolarHBondContact OG1-NE 2.97Å; G1090-R1092 PolarHBondContact O-N 3.46Å; R1092-S1094 PolarHBondContact O-N 3.22Å; R1092-N1095 PolarHBondContact O-N 2.98Å; R1092-A1096 PolarHBondContact O-N 3.43Å; R1092-A1096 VanDerWaalsContact O-N 3.14Å |
| 1093 | Y | 48.5 | Very low | 60.2 | Low | 49 Ų | 49 | 46.1 Ų | 46.1 | 19% | 0.192 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.1 | -32.5 | 176.4 | -63.8 | -65.6 | 0 | 0 | 0 | 111.4 | F867 G1090 N1097 F1104 A1106 | F867-Y1093 AromaticContact CD1-CE1 3.92Å; F867-Y1093 HydrophobicContact CD1-CE1 3.92Å; F867-Y1093 AromaticContact CE1-CD1 3.83Å; F867-Y1093 HydrophobicContact CE1-CD1 3.83Å; F867-Y1093 AromaticContact CE1-CE1 3.21Å; F867-Y1093 HydrophobicContact CE1-CE1 3.21Å; F867-Y1093 HydrophobicContact CE1-CE2 4.03Å; F867-Y1093 HydrophobicContact CE1-CG 4.46Å; F867-Y1093 AromaticContact CE1-CZ 3.35Å; F867-Y1093 HydrophobicContact CE2-CE2 4.3Å; F867-Y1093 AromaticContact CE2-CZ 3.95Å; F867-Y1093 HydrophobicContact CZ-CD1 4.3Å; F867-Y1093 HydrophobicContact CZ-CD2 4.2Å; F867-Y1093 AromaticContact CZ-CE1 3.65Å; F867-Y1093 HydrophobicContact CZ-CE1 3.65Å; F867-Y1093 AromaticContact CZ-CE2 3.54Å; F867-Y1093 HydrophobicContact CZ-CE2 3.54Å; F867-Y1093 AromaticContact CZ-CZ 3.23Å; F867-Y1093 WeakPolarHBondContact CZ-OH 3.42Å; G1090-Y1093 WeakPolarHBondContact O-CD2 3.08Å; G1090-Y1093 PolarHBondContact O-N 3Å; Y1093-N1097 WeakPolarHBondContact O-CB 3.4Å; Y1093-N1097 VanDerWaalsContact O-CG 3.28Å; Y1093-N1097 PolarHBondContact O-N 2.87Å; Y1093-N1097 PolarHBondContact O-ND2 3.27Å; Y1093-F1104 HydrophobicContact CD1-CB 4.06Å; Y1093-F1104 HydrophobicContact CD1-CD1 4.27Å; Y1093-F1104 AromaticContact CD1-CD2 3.68Å; Y1093-F1104 HydrophobicContact CD1-CD2 3.68Å; Y1093-F1104 HydrophobicContact CD1-CE2 4.22Å; Y1093-F1104 AromaticContact CD1-CG 3.72Å; Y1093-F1104 HydrophobicContact CD1-CG 3.72Å; Y1093-F1104 HydrophobicContact CE1-CB 3.8Å; Y1093-F1104 HydrophobicContact CE1-CD2 4.2Å; Y1093-F1104 HydrophobicContact CE1-CG 4Å; Y1093-A1106 WeakPolarHBondContact OH-CB 3.47Å |
| 1094 | S | 43 | Very low | 57.8 | Low | 40 Ų | 40 | 46.4 Ų | 46.4 | 28% | 0.28 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.7 | -43.9 | 175.4 | 30.6 | 0 | 0 | 0 | 0 | 113.3 | L845 K1091 R1092 N1097 F1098 | L845-S1094 WeakPolarHBondContact CD1-OG 3.48Å; K1091-S1094 PolarHBondContact O-OG 2.98Å; R1092-S1094 PolarHBondContact O-N 3.22Å; S1094-N1097 PolarHBondContact O-N 3.23Å; S1094-F1098 WeakPolarHBondContact O-CD2 2.92Å; S1094-F1098 PolarHBondContact O-N 3.15Å |
| 1095 | N | 39.9 | Very low | 55.3 | Low | 26 Ų | 26 | 46.1 Ų | 46.1 | 14% | 0.139 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65 | -42.7 | 178.2 | -73.8 | 2.1 | 0 | 0 | 0 | 111.5 | L845 R1092 F1098 C1099 | L845-N1095 WeakPolarHBondContact CD2-OD1 3.47Å; L845-N1095 VanDerWaalsContact CG-OD1 3.31Å; L845-N1095 WeakPolarHBondContact CG-OD1 3.38Å; R1092-N1095 PolarHBondContact O-N 2.98Å; N1095-F1098 PolarHBondContact O-N 3.17Å; N1095-C1099 PolarHBondContact O-N 2.69Å |
| 1096 | A | 38.6 | Very low | 52.8 | Low | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.2 | -33.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1092 C1099 L1100 F1104 | R1092-A1096 PolarHBondContact O-N 3.43Å; R1092-A1096 VanDerWaalsContact O-N 3.14Å; A1096-C1099 PolarHBondContact O-N 3.3Å; A1096-L1100 PolarHBondContact O-N 3.17Å; A1096-F1104 HydrophobicContact CB-CD1 4.16Å; A1096-F1104 HydrophobicContact CB-CE1 3.45Å; A1096-F1104 VanDerWaalsContact CB-CE1 3.45Å; A1096-F1104 HydrophobicContact CB-CZ 4.26Å |
| 1097 | N | 45 | Very low | 50.2 | Low | 68 Ų | 68 | 48 Ų | 48 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.1 | -35.4 | 172 | -90.1 | -44 | 0 | 0 | 0 | 113 | Y1093 S1094 C1099 L1100 F1104 | Y1093-N1097 WeakPolarHBondContact O-CB 3.4Å; Y1093-N1097 VanDerWaalsContact O-CG 3.28Å; Y1093-N1097 PolarHBondContact O-N 2.87Å; Y1093-N1097 PolarHBondContact O-ND2 3.27Å; S1094-N1097 PolarHBondContact O-N 3.23Å; N1097-C1099 PolarHBondContact O-N 2.71Å; N1097-L1100 WeakPolarHBondContact CA-O 3.07Å; N1097-L1100 CarbonylContact O-C 3.31Å; N1097-L1100 PolarHBondContact O-N 3.34Å; N1097-L1100 VanDerWaalsContact O-N 3.07Å; N1097-L1100 PolarHBondContact OD1-O 3.45Å; N1097-F1104 HydrophobicContact CB-CZ 4.38Å; N1097-F1104 WeakPolarHBondContact OD1-CE2 3.03Å; N1097-F1104 VanDerWaalsContact OD1-CZ 3.26Å; N1097-F1104 WeakPolarHBondContact OD1-CZ 3.26Å |
| 1098 | F | 41.5 | Very low | 47.4 | Very low | 162 Ų | 162 | 50.1 Ų | 50.1 | 71% | 0.711 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -59.4 | -31.8 | 174.1 | -104.9 | -79.3 | 0 | 0 | 0 | 111.4 | L845 S1094 N1095 | L845-F1098 HydrophobicContact CD2-CD2 3.89Å; L845-F1098 HydrophobicContact CD2-CE2 3.91Å; S1094-F1098 WeakPolarHBondContact O-CD2 2.92Å; S1094-F1098 PolarHBondContact O-N 3.15Å; N1095-F1098 PolarHBondContact O-N 3.17Å |
| 1099 | C | 34.1 | Very low | 44.6 | Very low | 56 Ų | 56 | 55.9 Ų | 55.9 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -84.2 | -30 | 172 | -66.2 | 0 | 0 | 0 | 0 | 113.1 | H1067 N1095 A1096 N1097 | H1067-C1099 PolarHBondContact CD2-O 3.11Å; H1067-C1099 PolarHBondContact NE2-O 2.85Å; N1095-C1099 PolarHBondContact O-N 2.69Å; A1096-C1099 PolarHBondContact O-N 3.3Å; N1097-C1099 PolarHBondContact O-N 2.71Å |
| 1100 | L | 33.5 | Very low | 41.7 | Very low | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | trans | -154.8 | 131.2 | -170.5 | -72.4 | 170.3 | 0 | 0 | 0 | 115.7 | L1063 H1067 R1076 I1081 A1096 N1097 | L1063-L1100 HydrophobicContact CD1-CD1 3.16Å; L1063-L1100 HydrophobicContact CD2-CD1 3.93Å; L1063-L1100 HydrophobicContact CG-CD1 3.48Å; L1063-L1100 VanDerWaalsContact CG-CD1 3.48Å; L1063-L1100 HydrophobicContact CG-CG 4.47Å; H1067-L1100 HydrophobicContact CB-CD2 3.83Å; H1067-L1100 HydrophobicContact CB-CG 4.41Å; H1067-L1100 WeakPolarHBondContact ND1-CD2 3.39Å; R1076-L1100 VanDerWaalsContact NE-CD2 3.34Å; R1076-L1100 VanDerWaalsContact NH2-CD2 3.29Å; I1081-L1100 HydrophobicContact CB-CD1 3.86Å; I1081-L1100 HydrophobicContact CB-CD2 4.36Å; I1081-L1100 HydrophobicContact CD1-CD1 4.33Å; I1081-L1100 HydrophobicContact CD1-CD2 3.73Å; I1081-L1100 HydrophobicContact CG2-CD1 3.53Å; A1096-L1100 PolarHBondContact O-N 3.17Å; N1097-L1100 WeakPolarHBondContact CA-O 3.07Å; N1097-L1100 CarbonylContact O-C 3.31Å; N1097-L1100 PolarHBondContact O-N 3.34Å; N1097-L1100 VanDerWaalsContact O-N 3.07Å; N1097-L1100 PolarHBondContact OD1-O 3.45Å | ||
| 1101 | Q | 33.5 | Very low | 40 | Very low | 133 Ų | 133 | 61.6 Ų | 61.6 | 62% | 0.621 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -80.6 | 111.9 | 156.4 | -66.1 | -175.2 | -11.2 | 0 | 0 | 109.5 | R1076 | R1076-Q1101 PolarHBondContact NH2-O 2.93Š|
| 1102 | R | 50.1 | Low | 38.5 | Very low | 148 Ų | 148 | 59.3 Ų | 59.3 | 56% | 0.558 | 30% | 0.296 | S | S | * | . | S | Bend | 164.3 | -30.9 | 120.2 | -82 | 159.4 | -169.3 | -159.1 | 1.2 | 118.9 | |||
| 1103 | H | 44.1 | Very low | 37.9 | Very low | 47 Ų | 47 | 62.1 Ų | 62.1 | 22% | 0.218 | 31% | 0.311 | C | S | . | . | trans | -150 | 153.7 | 178.6 | -64.8 | -54.1 | 0 | 0 | 0 | 115 | R1009 Q1082 | R1009-H1103 PolarHBondContact NH1-NE2 3.38Å; Q1082-H1103 WeakPolarHBondContact CA-O 3.32Å; Q1082-H1103 HydrophobicContact CB-CB 4.37Å | ||
| 1104 | F | 44.3 | Very low | 37.3 | Very low | 8 Ų | 8 | 62.8 Ų | 62.8 | 4% | 0.035 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 145.8 | -176.7 | -58.6 | -71.7 | 0 | 0 | 0 | 112.3 | R866 F867 A868 V1083 Y1093 A1096 N1097 | R866-F1104 PolarHBondContact O-N 2.73Å; F867-F1104 CarbonylContact C-O 3.31Å; F867-F1104 WeakPolarHBondContact CA-O 3.38Å; F867-F1104 HydrophobicContact CD1-CB 4.25Å; A868-F1104 PolarHBondContact N-O 2.87Å; V1083-F1104 HydrophobicContact CG1-CD1 4Å; V1083-F1104 HydrophobicContact CG1-CE1 4.46Å; Y1093-F1104 HydrophobicContact CD1-CB 4.06Å; Y1093-F1104 HydrophobicContact CD1-CD1 4.27Å; Y1093-F1104 AromaticContact CD1-CD2 3.68Å; Y1093-F1104 HydrophobicContact CD1-CD2 3.68Å; Y1093-F1104 HydrophobicContact CD1-CE2 4.22Å; Y1093-F1104 AromaticContact CD1-CG 3.72Å; Y1093-F1104 HydrophobicContact CD1-CG 3.72Å; Y1093-F1104 HydrophobicContact CE1-CB 3.8Å; Y1093-F1104 HydrophobicContact CE1-CD2 4.2Å; Y1093-F1104 HydrophobicContact CE1-CG 4Å; A1096-F1104 HydrophobicContact CB-CD1 4.16Å; A1096-F1104 HydrophobicContact CB-CE1 3.45Å; A1096-F1104 VanDerWaalsContact CB-CE1 3.45Å; A1096-F1104 HydrophobicContact CB-CZ 4.26Å; N1097-F1104 HydrophobicContact CB-CZ 4.38Å; N1097-F1104 WeakPolarHBondContact OD1-CE2 3.03Å; N1097-F1104 VanDerWaalsContact OD1-CZ 3.26Å; N1097-F1104 WeakPolarHBondContact OD1-CZ 3.26Å |
| 1105 | N | 39.2 | Very low | 36.9 | Very low | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.027 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 119 | 163.3 | -92.7 | -24.1 | 0 | 0 | 0 | 109.4 | A868 Q1082 V1083 D1084 L1087 | A868-N1105 WeakPolarHBondContact CA-OD1 3.13Å; A868-N1105 WeakPolarHBondContact CB-OD1 3.28Å; A868-N1105 CarbonylContact O-C 3.26Å; A868-N1105 WeakPolarHBondContact O-CA 3.48Å; A868-N1105 PolarHBondContact O-OD1 2.89Å; Q1082-N1105 PolarHBondContact NE2-ND2 2.8Å; Q1082-N1105 PolarHBondContact NE2-OD1 3.46Å; V1083-N1105 PolarHBondContact O-N 3.48Å; V1083-N1105 VanDerWaalsContact O-N 3.12Å; D1084-N1105 HydrophobicContact CB-CB 3.62Å; D1084-N1105 WeakPolarHBondContact CB-ND2 3.38Å; D1084-N1105 PolarHBondContact OD2-ND2 3.06Å; L1087-N1105 WeakPolarHBondContact CD1-O 3.26Å |
| 1106 | A | 36.9 | Very low | 36.7 | Very low | 4 Ų | 4 | 66.8 Ų | 66.8 | 3% | 0.033 | 33% | 0.332 | C | S | . | . | trans | -91.3 | 115.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | F867 A868 Y1093 V1108 | F867-A1106 HydrophobicContact CB-CB 4.05Å; F867-A1106 HydrophobicContact CD2-CB 4.04Å; F867-A1106 HydrophobicContact CG-CB 3.97Å; A868-A1106 PolarHBondContact O-N 3Å; A868-A1106 VanDerWaalsContact O-O 3.11Å; Y1093-A1106 WeakPolarHBondContact OH-CB 3.47Å; A1106-V1108 HydrophobicContact CB-CG2 3.49Å; A1106-V1108 VanDerWaalsContact CB-CG2 3.49Å; A1106-V1108 PolarHBondContact O-N 2.95Å | ||
| 1107 | N | 33.1 | Very low | 36.6 | Very low | 56 Ų | 56 | 71.5 Ų | 71.5 | 30% | 0.299 | 36% | 0.355 | S | S | . | . | trans | -72.2 | 81.8 | 159.4 | -83.5 | -15.4 | 0 | 0 | 0 | 106.1 | F1109 | N1107-F1109 PolarHBondContact O-N 2.97Š| ||
| 1108 | V | 27.3 | Very low | 36 | Very low | 55 Ų | 55 | 71.8 Ų | 71.8 | 33% | 0.333 | 36% | 0.355 | S | S | . | . | trans | -71.4 | 86.2 | 175.8 | -175.4 | 0 | 0 | 0 | 0 | 106.8 | A1106 | A1106-V1108 HydrophobicContact CB-CG2 3.49Å; A1106-V1108 VanDerWaalsContact CB-CG2 3.49Å; A1106-V1108 PolarHBondContact O-N 2.95Å | ||
| 1109 | F | 27.2 | Very low | 35.5 | Very low | 153 Ų | 153 | 64.3 Ų | 64.3 | 67% | 0.671 | 33% | 0.325 | S | S | * | . | trans | -80.7 | 85.9 | 132.9 | -66 | -77.7 | 0 | 0 | 0 | 103.9 | L811 N1107 | L811-F1109 VanDerWaalsContact CD1-O 3.28Å; L811-F1109 WeakPolarHBondContact CD1-O 3.2Å; L811-F1109 HydrophobicContact CD2-CB 3.82Å; L811-F1109 WeakPolarHBondContact CD2-O 3.03Å; L811-F1109 VanDerWaalsContact CG-O 3.32Å; L811-F1109 WeakPolarHBondContact CG-O 3.42Å; N1107-F1109 PolarHBondContact O-N 2.97Å | ||
| 1110 | S | 22.7 | Very low | 35.6 | Very low | 98 Ų | 98 | 65 Ų | 65 | 69% | 0.685 | 32% | 0.32 | S | S | * | . | trans | -71.1 | 0 | 150 | 58.7 | 0 | 0 | 0 | 0 | 103.8 | A815 | A815-S1110 WeakPolarHBondContact CB-O 3.16Å; A815-S1110 WeakPolarHBondContact CB-OXT 3.39Å |
Retrieved 1,110 of 1,110 residues in 381.3 ms
(Link to these results)