| 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 | 73.5 | Confident | 82.5 | Confident | 153 Ų | 153 | 111.9 Ų | 111.9 | 75% | 0.754 | 55% | 0.551 | S | S | * | * | 0 | 134.7 | 0 | -65.1 | 162.5 | -175.3 | 0 | 0 | 106.2 | Y17 T18 Q19 | M1-Y17 PolarHBondContact SD-OH 3.32Å; M1-Y17 VanDerWaalsContact SD-OH 3.37Å; M1-T18 CarbonylContact C-O 3.6Å; M1-T18 WeakPolarHBondContact CA-O 3.27Å; M1-Q19 HydrophobicContact CE-CG 4.42Å; M1-Q19 HydrophobicContact CG-CB 4.44Å; M1-Q19 HydrophobicContact CG-CG 4.18Å | |||
| 2 | N | 84 | Confident | 82.9 | Confident | 124 Ų | 124 | 110.6 Ų | 110.6 | 66% | 0.663 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 138 | 172.4 | -72.5 | -6.9 | 0 | 0 | 0 | 108 | T18 | N2-T18 PolarHBondContact N-O 2.73Å; N2-T18 PolarHBondContact O-N 2.9Å |
| 3 | C | 87.3 | Confident | 83.5 | Confident | 69 Ų | 69 | 102.1 Ų | 102.1 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 141.7 | 171.4 | 63.5 | 0 | 0 | 0 | 0 | 110.4 | I16 Y17 L109 | C3-I16 CarbonylContact C-O 3.54Å; C3-I16 VanDerWaalsContact CA-O 3.26Å; C3-I16 WeakPolarHBondContact CA-O 3.2Å; C3-Y17 HydrophobicContact CB-CD2 3.91Å; C3-L109 HydrophobicContact CB-CD1 4.02Å |
| 4 | E | 88.4 | Confident | 84.3 | Confident | 119 Ų | 119 | 94.9 Ų | 94.9 | 56% | 0.556 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 123.1 | 165.2 | -52.9 | 176.3 | 166.8 | 0 | 0 | 107.3 | C15 I16 | E4-C15 CarbonylContact O-C 3.58Å; E4-C15 WeakPolarHBondContact O-CA 3.02Å; E4-I16 HydrophobicContact CB-CG2 3.61Å; E4-I16 HydrophobicContact CG-CG2 4.14Å; E4-I16 PolarHBondContact N-O 3.32Å; E4-I16 PolarHBondContact O-N 3.35Å |
| 5 | V | 87.4 | Confident | 84.9 | Confident | 65 Ų | 65 | 88.5 Ų | 88.5 | 39% | 0.394 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 154.7 | 179 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | Y7 S14 D113 | V5-Y7 PolarHBondContact O-N 3.36Å; V5-S14 CarbonylContact C-O 3.57Å; V5-S14 WeakPolarHBondContact CA-O 3.25Å; V5-D113 HydrophobicContact CG1-CB 3.45Å; V5-D113 VanDerWaalsContact CG1-CB 3.45Å; V5-D113 WeakPolarHBondContact CG1-OD1 3.36Å |
| 6 | S | 85.1 | Confident | 85.4 | Confident | 69 Ų | 69 | 84.4 Ų | 84.4 | 48% | 0.483 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 60 | 30.6 | -174.6 | -35.1 | 0 | 0 | 0 | 0 | 114 | L8 S14 D113 | S6-L8 VanDerWaalsContact C-N 3.3Å; S6-L8 PolarHBondContact O-N 3.36Å; S6-S14 WeakPolarHBondContact CA-OG 3.49Å; S6-S14 PolarHBondContact N-O 3.48Å; S6-D113 WeakPolarHBondContact CA-OD2 3.36Å; S6-D113 PolarHBondContact N-OD2 3.39Å; S6-D113 PolarHBondContact OG-OD1 3.16Å; S6-D113 PolarHBondContact OG-OD2 3.24Å |
| 7 | Y | 78.3 | Confident | 85.8 | Confident | 108 Ų | 108 | 80.5 Ų | 80.5 | 42% | 0.424 | 40% | 0.398 | S | S | . | . | trans | -60.9 | -32.4 | -178.3 | -177.2 | -101.3 | 0 | 0 | 0 | 113.9 | V5 S14 I16 I25 | V5-Y7 PolarHBondContact O-N 3.36Å; Y7-S14 PolarHBondContact N-OG 3.22Å; Y7-S14 VanDerWaalsContact N-OG 3.09Å; Y7-I16 HydrophobicContact CD1-CB 4.41Å; Y7-I16 HydrophobicContact CD2-CB 4.29Å; Y7-I16 HydrophobicContact CD2-CG2 3.65Å; Y7-I16 HydrophobicContact CE2-CD1 4.33Å; Y7-I16 HydrophobicContact CE2-CG2 4.21Å; Y7-I16 HydrophobicContact CG-CB 4.13Å; Y7-I16 HydrophobicContact CG-CG2 3.89Å; Y7-I25 HydrophobicContact CD1-CD1 4.16Å; Y7-I25 HydrophobicContact CE1-CD1 3.76Å | ||
| 8 | L | 80.8 | Confident | 85.9 | Confident | 67 Ų | 67 | 78.1 Ų | 78.1 | 35% | 0.351 | 39% | 0.388 | S | S | . | . | trans | -110.3 | 109.3 | -179.4 | -65.5 | 173.1 | 0 | 0 | 0 | 111.3 | S6 R10 A11 S14 I25 | S6-L8 VanDerWaalsContact C-N 3.3Å; S6-L8 PolarHBondContact O-N 3.36Å; L8-R10 PolarHBondContact O-N 2.99Å; L8-A11 HydrophobicContact CB-CB 4.19Å; L8-A11 PolarHBondContact O-N 2.86Å; L8-S14 PolarHBondContact N-OG 3.22Å; L8-I25 HydrophobicContact CD1-CG2 4Å | ||
| 9 | H | 78 | Confident | 85.5 | Confident | 198 Ų | 198 | 74.5 Ų | 74.5 | 92% | 0.917 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -18 | 178.4 | -72 | -56.1 | 0 | 0 | 0 | 116.3 | ||
| 10 | R | 81.2 | Confident | 85.1 | Confident | 243 Ų | 243 | 74.1 Ų | 74.1 | 92% | 0.917 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -14.4 | -177.4 | -72.1 | -172 | 179.8 | 178.8 | 1 | 114.1 | L8 | L8-R10 PolarHBondContact O-N 2.99Š|
| 11 | A | 83.2 | Confident | 84.8 | Confident | 16 Ų | 16 | 77.8 Ų | 77.8 | 13% | 0.132 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -90.6 | 148.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | L8 G13 | L8-A11 HydrophobicContact CB-CB 4.19Å; L8-A11 PolarHBondContact O-N 2.86Å; A11-G13 VanDerWaalsContact C-N 3.26Å; A11-G13 PolarHBondContact O-N 3.08Å |
| 12 | D | 87.2 | Confident | 85.3 | Confident | 96 Ų | 96 | 70.5 Ų | 70.5 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -67.6 | -32.8 | 177.5 | -59.4 | -71.3 | 0 | 0 | 0 | 111 | V28 N29 G30 S114 | D12-V28 PolarHBondContact N-O 3.13Å; D12-N29 WeakPolarHBondContact OD2-CA 3.48Å; D12-G30 PolarHBondContact OD2-N 3.18Å; D12-S114 WeakPolarHBondContact O-CA 3.48Å |
| 13 | G | 91 | Very high | 85.5 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 147.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A11 S27 V28 D113 | A11-G13 VanDerWaalsContact C-N 3.26Å; A11-G13 PolarHBondContact O-N 3.08Å; G13-S27 CarbonylContact O-C 3.14Å; G13-S27 WeakPolarHBondContact O-CA 3.22Å; G13-V28 PolarHBondContact N-O 2.98Å; G13-V28 PolarHBondContact O-N 2.86Å; G13-D113 VanDerWaalsContact CA-OD2 3.27Å; G13-D113 WeakPolarHBondContact CA-OD2 3.37Å |
| 14 | S | 94.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 151.3 | 177.8 | 57.3 | 0 | 0 | 0 | 0 | 112.7 | V5 S6 Y7 L8 A26 D113 | V5-S14 CarbonylContact C-O 3.57Å; V5-S14 WeakPolarHBondContact CA-O 3.25Å; S6-S14 WeakPolarHBondContact CA-OG 3.49Å; S6-S14 PolarHBondContact N-O 3.48Å; Y7-S14 PolarHBondContact N-OG 3.22Å; Y7-S14 VanDerWaalsContact N-OG 3.09Å; L8-S14 PolarHBondContact N-OG 3.22Å; S14-A26 CarbonylContact C-O 3.51Å; S14-A26 VanDerWaalsContact CA-O 3.23Å; S14-A26 WeakPolarHBondContact CA-O 3.4Å; S14-D113 PolarHBondContact N-OD2 2.79Å |
| 15 | C | 94 | Very high | 85.9 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 134.1 | 174.4 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | E4 I25 A26 L109 A110 | E4-C15 CarbonylContact O-C 3.58Å; E4-C15 WeakPolarHBondContact O-CA 3.02Å; C15-I25 CarbonylContact O-C 3.52Å; C15-I25 WeakPolarHBondContact O-CA 3.29Å; C15-A26 PolarHBondContact N-O 2.98Å; C15-A26 PolarHBondContact O-N 3.33Å; C15-L109 HydrophobicContact CB-CB 3.83Å; C15-A110 HydrophobicContact CB-CB 4.2Å |
| 16 | I | 93.3 | Very high | 86.2 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 11% | 0.113 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.9 | 157.8 | -172.1 | 168.6 | 0 | 0 | 0 | 107.7 | C3 E4 Y7 T23 V24 I25 L93 | C3-I16 CarbonylContact C-O 3.54Å; C3-I16 VanDerWaalsContact CA-O 3.26Å; C3-I16 WeakPolarHBondContact CA-O 3.2Å; E4-I16 HydrophobicContact CB-CG2 3.61Å; E4-I16 HydrophobicContact CG-CG2 4.14Å; E4-I16 PolarHBondContact N-O 3.32Å; E4-I16 PolarHBondContact O-N 3.35Å; Y7-I16 HydrophobicContact CD1-CB 4.41Å; Y7-I16 HydrophobicContact CD2-CB 4.29Å; Y7-I16 HydrophobicContact CD2-CG2 3.65Å; Y7-I16 HydrophobicContact CE2-CD1 4.33Å; Y7-I16 HydrophobicContact CE2-CG2 4.21Å; Y7-I16 HydrophobicContact CG-CB 4.13Å; Y7-I16 HydrophobicContact CG-CG2 3.89Å; I16-T23 HydrophobicContact CD1-CG2 3.81Å; I16-T23 HydrophobicContact CG1-CG2 3.67Å; I16-V24 WeakPolarHBondContact CA-O 3.31Å; I16-I25 HydrophobicContact CB-CG1 4.07Å; I16-I25 HydrophobicContact CD1-CD1 4.3Å; I16-I25 HydrophobicContact CD1-CG1 4.01Å; I16-I25 HydrophobicContact CG1-CG1 3.85Å; I16-L93 HydrophobicContact CD1-CD1 3.72Å; I16-L93 HydrophobicContact CG1-CD1 4.5Å |
| 17 | Y | 91.7 | Very high | 86.7 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 8% | 0.075 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 126.8 | -176.9 | -173.1 | -95.6 | 0 | 0 | 0 | 109.5 | M1 C3 Q19 T23 V24 A102 N105 A106 L109 | M1-Y17 PolarHBondContact SD-OH 3.32Å; M1-Y17 VanDerWaalsContact SD-OH 3.37Å; C3-Y17 HydrophobicContact CB-CD2 3.91Å; Y17-Q19 HydrophobicContact CD1-CB 4.37Å; Y17-Q19 HydrophobicContact CE1-CB 3.69Å; Y17-T23 WeakPolarHBondContact O-CA 3.48Å; Y17-V24 PolarHBondContact N-O 2.92Å; Y17-V24 PolarHBondContact O-N 2.87Å; Y17-A102 HydrophobicContact CD1-CB 4.08Å; Y17-A102 HydrophobicContact CE1-CB 4.39Å; Y17-N105 HydrophobicContact CD1-CB 4.17Å; Y17-N105 HydrophobicContact CD2-CB 4.41Å; Y17-N105 HydrophobicContact CE1-CB 3.73Å; Y17-N105 HydrophobicContact CE2-CB 4.02Å; Y17-N105 HydrophobicContact CG-CB 4.49Å; Y17-A106 HydrophobicContact CG-CB 4.41Å; Y17-L109 HydrophobicContact CD2-CD1 3.68Å; Y17-L109 HydrophobicContact CE2-CD1 4.12Å |
| 18 | T | 87 | Confident | 87.4 | Confident | 37 Ų | 37 | 46.5 Ų | 46.5 | 23% | 0.227 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 121.2 | 178.9 | -57 | 0 | 0 | 0 | 0 | 110.6 | M1 N2 T22 T23 | M1-T18 CarbonylContact C-O 3.6Å; M1-T18 WeakPolarHBondContact CA-O 3.27Å; N2-T18 PolarHBondContact N-O 2.73Å; N2-T18 PolarHBondContact O-N 2.9Å; T18-T22 WeakPolarHBondContact CA-O 3.37Å; T18-T23 VanDerWaalsContact CG2-OG1 3.32Å; T18-T23 WeakPolarHBondContact CG2-OG1 3.31Å; T18-T23 WeakPolarHBondContact OG1-CG2 3.46Å; T18-T23 PolarHBondContact OG1-OG1 2.88Å |
| 19 | Q | 78.9 | Confident | 87.9 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 115.8 | 175 | -176.8 | 173.1 | 9 | 0 | 0 | 108.8 | M1 Y17 K21 T22 Q101 S139 | M1-Q19 HydrophobicContact CE-CG 4.42Å; M1-Q19 HydrophobicContact CG-CB 4.44Å; M1-Q19 HydrophobicContact CG-CG 4.18Å; Y17-Q19 HydrophobicContact CD1-CB 4.37Å; Y17-Q19 HydrophobicContact CE1-CB 3.69Å; Q19-K21 PolarHBondContact O-N 2.84Å; Q19-T22 PolarHBondContact N-O 3.42Å; Q19-T22 PolarHBondContact O-N 3.07Å; Q19-T22 VanDerWaalsContact O-N 3.1Å; Q19-Q101 VanDerWaalsContact CD-NE2 3.27Å; Q19-S139 PolarHBondContact NE2-OG 3.3Å |
| 20 | G | 77.4 | Confident | 88.1 | Confident | 65 Ų | 65 | 37 Ų | 37 | 67% | 0.67 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | -127.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 21 | K | 78.3 | Confident | 88.1 | Confident | 152 Ų | 152 | 28.7 Ų | 28.7 | 66% | 0.661 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 3.5 | 171.6 | -57.7 | 178.6 | 176.9 | -178.7 | 0 | 113 | Q19 D96 | Q19-K21 PolarHBondContact O-N 2.84Å; K21-D96 HydrophobicContact CB-CB 3.98Å; K21-D96 WeakPolarHBondContact CB-OD2 3.08Å; K21-D96 PolarHBondContact N-OD2 2.78Å |
| 22 | T | 83.6 | Confident | 88 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 119.1 | 175.2 | -68.8 | 0 | 0 | 0 | 0 | 110 | T18 Q19 V24 E94 D96 S98 A102 | T18-T22 WeakPolarHBondContact CA-O 3.37Å; Q19-T22 PolarHBondContact N-O 3.42Å; Q19-T22 PolarHBondContact O-N 3.07Å; Q19-T22 VanDerWaalsContact O-N 3.1Å; T22-V24 HydrophobicContact CG2-CG2 3.99Å; T22-E94 CarbonylContact C-O 3.46Å; T22-E94 WeakPolarHBondContact CA-O 3.45Å; T22-D96 WeakPolarHBondContact CB-OD1 3.44Å; T22-D96 PolarHBondContact N-OD1 2.82Å; T22-D96 PolarHBondContact OG1-N 2.92Å; T22-D96 PolarHBondContact OG1-OD1 3.21Å; T22-S98 WeakPolarHBondContact CB-OG 3.28Å; T22-S98 PolarHBondContact OG1-OG 2.87Å; T22-A102 HydrophobicContact CG2-CB 3.76Å |
| 23 | T | 88.7 | Confident | 87.4 | Confident | 20 Ų | 20 | 31.8 Ų | 31.8 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 122.6 | 177 | -59.9 | 0 | 0 | 0 | 0 | 109.9 | I16 Y17 T18 L93 E94 | I16-T23 HydrophobicContact CD1-CG2 3.81Å; I16-T23 HydrophobicContact CG1-CG2 3.67Å; Y17-T23 WeakPolarHBondContact O-CA 3.48Å; T18-T23 VanDerWaalsContact CG2-OG1 3.32Å; T18-T23 WeakPolarHBondContact CG2-OG1 3.31Å; T18-T23 WeakPolarHBondContact OG1-CG2 3.46Å; T18-T23 PolarHBondContact OG1-OG1 2.88Å; T23-L93 HydrophobicContact CG2-CB 4.22Å; T23-L93 HydrophobicContact CG2-CD1 3.87Å; T23-L93 PolarHBondContact O-N 3.03Å; T23-E94 PolarHBondContact N-O 2.89Å; T23-E94 PolarHBondContact O-N 3.42Å |
| 24 | V | 91.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 133.1 | -178.4 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | I16 Y17 T22 V90 Q91 F99 A102 A103 A106 | I16-V24 WeakPolarHBondContact CA-O 3.31Å; Y17-V24 PolarHBondContact N-O 2.92Å; Y17-V24 PolarHBondContact O-N 2.87Å; T22-V24 HydrophobicContact CG2-CG2 3.99Å; V24-V90 HydrophobicContact CG1-CG1 3.36Å; V24-Q91 WeakPolarHBondContact CA-O 3.11Å; V24-F99 HydrophobicContact CG1-CE2 4.02Å; V24-F99 HydrophobicContact CG2-CD2 3.67Å; V24-F99 HydrophobicContact CG2-CE2 3.69Å; V24-A102 HydrophobicContact CG2-CB 3.74Å; V24-A103 HydrophobicContact CG1-CB 4.3Å; V24-A106 HydrophobicContact CB-CB 4.37Å; V24-A106 HydrophobicContact CG1-CB 4.23Å |
| 25 | I | 92.8 | Very high | 85 | Confident | 18 Ų | 18 | 43 Ų | 43 | 9% | 0.092 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 125.2 | 166.5 | -64.4 | 176.7 | 0 | 0 | 0 | 108.1 | Y7 L8 C15 I16 V90 Q91 L93 | Y7-I25 HydrophobicContact CD1-CD1 4.16Å; Y7-I25 HydrophobicContact CE1-CD1 3.76Å; L8-I25 HydrophobicContact CD1-CG2 4Å; C15-I25 CarbonylContact O-C 3.52Å; C15-I25 WeakPolarHBondContact O-CA 3.29Å; I16-I25 HydrophobicContact CB-CG1 4.07Å; I16-I25 HydrophobicContact CD1-CD1 4.3Å; I16-I25 HydrophobicContact CD1-CG1 4.01Å; I16-I25 HydrophobicContact CG1-CG1 3.85Å; I25-V90 CarbonylContact O-C 3.57Å; I25-V90 WeakPolarHBondContact O-CA 3.39Å; I25-Q91 PolarHBondContact N-O 3.36Å; I25-Q91 PolarHBondContact O-N 3.44Å; I25-L93 HydrophobicContact CD1-CD1 3.5Å; I25-L93 HydrophobicContact CD1-CD2 4.06Å; I25-L93 HydrophobicContact CD1-CG 3.89Å; I25-L93 HydrophobicContact CG1-CD1 3.75Å; I25-L93 HydrophobicContact CG1-CG 4.08Å |
| 26 | A | 94.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 136.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | S14 C15 V89 A106 V107 A110 | S14-A26 CarbonylContact C-O 3.51Å; S14-A26 VanDerWaalsContact CA-O 3.23Å; S14-A26 WeakPolarHBondContact CA-O 3.4Å; C15-A26 PolarHBondContact N-O 2.98Å; C15-A26 PolarHBondContact O-N 3.33Å; A26-V89 CarbonylContact C-O 3.57Å; A26-V89 WeakPolarHBondContact CA-O 3.48Å; A26-A106 HydrophobicContact CB-CB 3.73Å; A26-A106 WeakPolarHBondContact CB-O 3.25Å; A26-V107 HydrophobicContact CB-CG2 3.87Å; A26-A110 HydrophobicContact CB-CB 3.82Å |
| 27 | S | 94.3 | Very high | 81.1 | Confident | 12 Ų | 12 | 55 Ų | 55 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 129.7 | 174.6 | 72.5 | 0 | 0 | 0 | 0 | 110.1 | G13 I88 V89 | G13-S27 CarbonylContact O-C 3.14Å; G13-S27 WeakPolarHBondContact O-CA 3.22Å; S27-I88 CarbonylContact O-C 3.59Å; S27-I88 WeakPolarHBondContact O-CA 3.38Å; S27-V89 PolarHBondContact N-O 2.82Å; S27-V89 PolarHBondContact O-N 3.4Å |
| 28 | V | 93.5 | Very high | 79.1 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.2 | 175.4 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | D12 G13 I86 I88 A110 L111 L116 | D12-V28 PolarHBondContact N-O 3.13Å; G13-V28 PolarHBondContact N-O 2.98Å; G13-V28 PolarHBondContact O-N 2.86Å; V28-I86 HydrophobicContact CG1-CG2 3.78Å; V28-I88 HydrophobicContact CG2-CG1 4.29Å; V28-A110 HydrophobicContact CG2-CB 3.85Å; V28-L111 HydrophobicContact CG1-CD2 4.35Å; V28-L111 HydrophobicContact CG2-CD2 3.95Å; V28-L111 HydrophobicContact CG2-CG 4.26Å; V28-L116 HydrophobicContact CG1-CD1 3.79Å |
| 29 | N | 90.5 | Very high | 77.3 | Confident | 61 Ų | 61 | 68.8 Ų | 68.8 | 33% | 0.326 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 109.5 | 174.4 | -54.6 | -85.3 | 0 | 0 | 0 | 108.1 | D12 S87 | D12-N29 WeakPolarHBondContact OD2-CA 3.48Å; N29-S87 PolarHBondContact N-O 2.89Å; N29-S87 PolarHBondContact ND2-O 3.04Å; N29-S87 PolarHBondContact O-N 3.15Å |
| 30 | G | 82.7 | Confident | 75.9 | Confident | 5 Ų | 5 | 72.9 Ų | 72.9 | 5% | 0.052 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.5 | 167.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D12 | D12-G30 PolarHBondContact OD2-N 3.18Å |
| 31 | P | 81.4 | Confident | 74.9 | Confident | 69 Ų | 69 | 71.5 Ų | 71.5 | 45% | 0.448 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -78.2 | 122.5 | 18.2 | 26.8 | -31 | 0 | 0 | 0 | 114.2 | L81 T84 | P31-L81 HydrophobicContact CB-CD2 4.47Å; P31-L81 HydrophobicContact CG-CD2 4.32Å; P31-T84 HydrophobicContact CB-CG2 3.71Å |
| 32 | G | 80.2 | Confident | 74.5 | Confident | 32 Ų | 32 | 69.5 Ų | 69.5 | 33% | 0.33 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 158.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | L34 T84 L85 | G32-L34 PolarHBondContact O-N 3Å; G32-T84 CarbonylContact O-C 3.58Å; G32-T84 VanDerWaalsContact O-CA 3.26Å; G32-T84 WeakPolarHBondContact O-CA 3.28Å; G32-L85 PolarHBondContact N-O 3.35Å; G32-L85 PolarHBondContact O-N 3.03Å |
| 33 | D | 76.1 | Confident | 74.1 | Confident | 145 Ų | 145 | 71 Ų | 71 | 78% | 0.775 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 130.6 | -177.6 | -77.4 | -30.9 | 0 | 0 | 0 | 113.6 | K35 | D33-K35 PolarHBondContact O-N 2.84Å |
| 34 | L | 70.1 | Confident | 73.7 | Confident | 33 Ų | 33 | 70.4 Ų | 70.4 | 17% | 0.173 | 38% | 0.38 | C | S | . | . | trans | -72.3 | 93.6 | 175.9 | -156.6 | 100.5 | 0 | 0 | 0 | 110.8 | G32 N36 V45 K83 L85 | G32-L34 PolarHBondContact O-N 3Å; L34-N36 PolarHBondContact O-N 3.48Å; L34-V45 HydrophobicContact CD1-CB 3.69Å; L34-V45 HydrophobicContact CD1-CG2 3.58Å; L34-K83 VanDerWaalsContact CB-O 3.27Å; L34-K83 WeakPolarHBondContact CB-O 3.46Å; L34-K83 PolarHBondContact N-O 3.39Å; L34-L85 HydrophobicContact CD1-CB 4.12Å; L34-L85 HydrophobicContact CD1-CD1 4.32Å | ||
| 35 | K | 65.2 | Low | 73.3 | Confident | 202 Ų | 202 | 72.8 Ų | 72.8 | 88% | 0.878 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -59 | -20.6 | -174.9 | -71.8 | -177.5 | 178.8 | 175.6 | 0 | 115.7 | D33 | D33-K35 PolarHBondContact O-N 2.84Š|
| 36 | N | 57.9 | Low | 73 | Confident | 132 Ų | 132 | 72.2 Ų | 72.2 | 71% | 0.706 | 39% | 0.391 | S | S | * | . | trans | -111 | 87 | -178 | -82.5 | -29.1 | 0 | 0 | 0 | 111.5 | L34 K38 | L34-N36 PolarHBondContact O-N 3.48Å; N36-K38 PolarHBondContact O-N 3Å | ||
| 37 | L | 46.8 | Very low | 72.7 | Confident | 143 Ų | 143 | 76.6 Ų | 76.6 | 75% | 0.749 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 7.4 | 179.4 | -82 | 152.6 | 0 | 0 | 0 | 116.7 | ||
| 38 | K | 50.4 | Low | 72.5 | Confident | 210 Ų | 210 | 76.5 Ų | 76.5 | 91% | 0.913 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -5.7 | -178.5 | -77.7 | -170.4 | 177.8 | -179.2 | 0 | 114.5 | N36 | N36-K38 PolarHBondContact O-N 3Š|
| 39 | Q | 48.3 | Very low | 72.4 | Confident | 136 Ų | 136 | 78.9 Ų | 78.9 | 64% | 0.636 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -111.3 | 136 | 175.1 | -72.5 | 176.5 | -22 | 0 | 0 | 109.1 | ||
| 40 | C | 49.8 | Very low | 72.3 | Confident | 96 Ų | 96 | 76.7 Ų | 76.7 | 65% | 0.649 | 41% | 0.414 | S | S | * | . | trans | -45.9 | 141.4 | -170.8 | -87.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 41 | A | 55.5 | Low | 72.4 | Confident | 35 Ų | 35 | 81.8 Ų | 81.8 | 29% | 0.289 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -100.4 | 16.8 | -152.2 | 0 | 0 | 0 | 0 | 0 | 116 | K83 | A41-K83 HydrophobicContact CB-CD 4.41Å; A41-K83 HydrophobicContact CB-CG 3.97Å; A41-K83 VanDerWaalsContact O-CG 3.32Å; A41-K83 WeakPolarHBondContact O-CG 3.06Å |
| 42 | D | 71 | Confident | 72.2 | Confident | 110 Ų | 110 | 82.1 Ų | 82.1 | 59% | 0.588 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -108.7 | -3.7 | -167.3 | -47.3 | -43.5 | 0 | 0 | 0 | 114.1 | ||
| 43 | S | 75.2 | Confident | 71.5 | Confident | 33 Ų | 33 | 83.8 Ų | 83.8 | 23% | 0.231 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -145.6 | 161.8 | -179.7 | 63.8 | 0 | 0 | 0 | 0 | 112.2 | V78 L81 | S43-V78 CarbonylContact C-O 3.11Å; S43-V78 VanDerWaalsContact CA-O 3.22Å; S43-V78 WeakPolarHBondContact CA-O 3.46Å; S43-L81 CarbonylContact C-O 3.52Å |
| 44 | A | 80.3 | Confident | 70.5 | Confident | 7 Ų | 7 | 83.8 Ų | 83.8 | 6% | 0.058 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 147.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V78 L81 T84 I86 | A44-V78 HydrophobicContact CB-CB 4.1Å; A44-V78 HydrophobicContact CB-CG1 4.22Å; A44-V78 PolarHBondContact N-O 3.09Å; A44-L81 WeakPolarHBondContact CA-O 3.45Å; A44-L81 HydrophobicContact CB-CB 3.89Å; A44-L81 PolarHBondContact N-O 2.91Å; A44-T84 CarbonylContact C-O 3.25Å; A44-T84 WeakPolarHBondContact CA-O 3.34Å; A44-T84 WeakPolarHBondContact CB-OG1 3.28Å; A44-I86 HydrophobicContact CB-CD1 3.9Å; A44-I86 HydrophobicContact CB-CG1 4.49Å |
| 45 | V | 82.4 | Confident | 69.7 | Low | 49 Ų | 49 | 86.3 Ų | 86.3 | 30% | 0.297 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 120.1 | 166.6 | 177.9 | 0 | 0 | 0 | 0 | 107.5 | L34 T84 L85 I86 | L34-V45 HydrophobicContact CD1-CB 3.69Å; L34-V45 HydrophobicContact CD1-CG2 3.58Å; V45-T84 PolarHBondContact N-O 3.04Å; V45-L85 HydrophobicContact CB-CD1 4.24Å; V45-L85 HydrophobicContact CG1-CD1 4.17Å; V45-L85 WeakPolarHBondContact O-CA 3.14Å; V45-I86 PolarHBondContact O-N 3.01Å |
| 46 | I | 87.1 | Confident | 68.9 | Low | 6 Ų | 6 | 78.1 Ų | 78.1 | 3% | 0.031 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 131 | 173.1 | -55.5 | -174.6 | 0 | 0 | 0 | 107.7 | V48 E69 C72 V76 V78 I86 I88 | I46-V48 HydrophobicContact CG2-CG2 4.33Å; I46-E69 WeakPolarHBondContact O-CG 3.33Å; I46-C72 HydrophobicContact CD1-CB 3.94Å; I46-C72 WeakPolarHBondContact CD1-O 3.5Å; I46-C72 HydrophobicContact CG2-CB 3.96Å; I46-V76 HydrophobicContact CD1-CB 3.88Å; I46-V76 HydrophobicContact CD1-CG1 4.41Å; I46-V76 HydrophobicContact CD1-CG2 3.94Å; I46-V78 HydrophobicContact CD1-CG1 4.09Å; I46-V78 HydrophobicContact CG1-CG1 4.35Å; I46-I86 CarbonylContact C-O 3.54Å; I46-I86 WeakPolarHBondContact CA-O 3.27Å; I46-I86 HydrophobicContact CG1-CB 4.25Å; I46-I86 HydrophobicContact CG1-CD1 4.24Å; I46-I88 HydrophobicContact CG2-CD1 3.78Å; I46-I88 HydrophobicContact CG2-CG1 4.22Å |
| 47 | Q | 87.5 | Confident | 68.7 | Low | 92 Ų | 92 | 77.7 Ų | 77.7 | 43% | 0.43 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.6 | 175.6 | -172.9 | -179.7 | 2.6 | 0 | 0 | 109.4 | L85 I86 S87 I88 | Q47-L85 HydrophobicContact CB-CD1 4.31Å; Q47-I86 PolarHBondContact N-O 2.55Å; Q47-S87 CarbonylContact O-C 3.6Å; Q47-S87 WeakPolarHBondContact O-CA 3.31Å; Q47-I88 PolarHBondContact O-N 2.85Å |
| 48 | V | 91.6 | Very high | 69.4 | Low | 10 Ų | 10 | 75.5 Ų | 75.5 | 6% | 0.061 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.5 | 178.5 | -172.4 | 0 | 0 | 0 | 0 | 110.8 | I46 V50 L68 E69 I88 V90 | I46-V48 HydrophobicContact CG2-CG2 4.33Å; V48-V50 HydrophobicContact CG1-CG2 4.24Å; V48-L68 HydrophobicContact CB-CB 4.4Å; V48-L68 HydrophobicContact CG1-CB 3.87Å; V48-L68 HydrophobicContact CG1-CD1 4.09Å; V48-L68 HydrophobicContact CG2-CB 4.16Å; V48-E69 HydrophobicContact CB-CB 4.2Å; V48-E69 VanDerWaalsContact CG2-CA 3.49Å; V48-E69 HydrophobicContact CG2-CB 3.75Å; V48-E69 HydrophobicContact CG2-CG 4.27Å; V48-I88 CarbonylContact C-O 3.57Å; V48-I88 VanDerWaalsContact CA-O 3.29Å; V48-I88 WeakPolarHBondContact CA-O 3.27Å; V48-I88 HydrophobicContact CG2-CB 4.16Å; V48-I88 HydrophobicContact CG2-CD1 4.35Å; V48-V90 HydrophobicContact CG1-CG2 4.18Å |
| 49 | V | 89.9 | Confident | 69.7 | Low | 50 Ų | 50 | 68.3 Ų | 68.3 | 30% | 0.303 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 115 | 175.5 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | K51 I88 V89 V90 | V49-K51 HydrophobicContact CG1-CG 4.37Å; V49-I88 PolarHBondContact N-O 3.34Å; V49-V89 WeakPolarHBondContact O-CA 3.47Å; V49-V90 PolarHBondContact O-N 2.88Å |
| 50 | V | 88.8 | Confident | 70.4 | Confident | 15 Ų | 15 | 63.4 Ų | 63.4 | 9% | 0.091 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 125.1 | 178.3 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | V48 R52 N61 T64 A65 L68 V90 F99 | V48-V50 HydrophobicContact CG1-CG2 4.24Å; V50-R52 HydrophobicContact CG1-CG 4.36Å; V50-N61 HydrophobicContact CB-CB 4.5Å; V50-N61 HydrophobicContact CG1-CB 4.42Å; V50-T64 HydrophobicContact CG1-CG2 4.48Å; V50-T64 HydrophobicContact CG2-CG2 4.17Å; V50-A65 HydrophobicContact CB-CB 4.38Å; V50-A65 HydrophobicContact CG2-CB 3.81Å; V50-L68 HydrophobicContact CG2-CD1 4.07Å; V50-V90 CarbonylContact C-O 3.59Å; V50-V90 WeakPolarHBondContact CA-O 3.33Å; V50-V90 HydrophobicContact CG2-CB 4.33Å; V50-F99 HydrophobicContact CG1-CE1 3.66Å; V50-F99 HydrophobicContact CG1-CZ 3.72Å |
| 51 | K | 84.7 | Confident | 71.4 | Confident | 112 Ų | 112 | 60.2 Ų | 60.2 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 114.4 | 176.9 | -64.1 | -177.6 | -177 | 174.8 | 0 | 110 | V49 V90 Q91 E92 | V49-K51 HydrophobicContact CG1-CG 4.37Å; K51-V90 PolarHBondContact N-O 3.07Å; K51-Q91 HydrophobicContact CB-CG 4.38Å; K51-Q91 CarbonylContact O-C 3.52Å; K51-Q91 WeakPolarHBondContact O-CA 3.43Å; K51-E92 PolarHBondContact O-N 2.81Å |
| 52 | R | 77.7 | Confident | 72.1 | Confident | 76 Ų | 76 | 61.3 Ų | 61.3 | 29% | 0.287 | 38% | 0.381 | S | S | . | . | trans | -101.4 | 145.9 | 174 | -64.3 | -169.8 | -173.6 | -177.5 | 6.8 | 111.5 | V50 I54 N61 T64 E92 F99 | V50-R52 HydrophobicContact CG1-CG 4.36Å; R52-I54 PolarHBondContact O-N 2.88Å; R52-N61 VanDerWaalsContact CD-OD1 3.29Å; R52-N61 WeakPolarHBondContact CD-OD1 3.36Å; R52-N61 WeakPolarHBondContact CG-OD1 3.36Å; R52-N61 PolarHBondContact NE-OD1 2.81Å; R52-T64 PolarHBondContact NH2-OG1 3.33Å; R52-T64 VanDerWaalsContact NH2-OG1 3.08Å; R52-E92 HydrophobicContact CB-CB 4.29Å; R52-E92 WeakPolarHBondContact CD-OE2 3.26Å; R52-E92 HydrophobicContact CG-CB 4.16Å; R52-E92 IonicContact NE-OE2 3.09Å; R52-F99 HydrophobicContact CG-CZ 4.42Å | ||
| 53 | S | 65.2 | Low | 71.8 | Confident | 68 Ų | 68 | 60 Ų | 60 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -73.9 | -25.2 | -166.2 | 58.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 54 | I | 54.3 | Low | 71.8 | Confident | 145 Ų | 145 | 58.9 Ų | 58.9 | 74% | 0.744 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -140.2 | 115.7 | -173 | -56 | 171.9 | 0 | 0 | 0 | 110.9 | R52 G56 | R52-I54 PolarHBondContact O-N 2.88Å; I54-G56 PolarHBondContact O-N 3.05Å |
| 55 | G | 53.1 | Low | 72 | Confident | 85 Ų | 85 | 59.1 Ų | 59.1 | 88% | 0.876 | 37% | 0.365 | S | S | * | . | trans | 57 | 13.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | N57 | G55-N57 PolarHBondContact O-N 3.29Å; G55-N57 VanDerWaalsContact O-N 3.14Å | ||
| 56 | G | 49 | Very low | 71.6 | Confident | 30 Ų | 30 | 62.2 Ų | 62.2 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | trans | -60.4 | 116.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I54 S58 | I54-G56 PolarHBondContact O-N 3.05Å; G56-S58 PolarHBondContact O-N 2.91Å; G56-S58 VanDerWaalsContact O-N 3.16Å | ||
| 57 | N | 54.2 | Low | 70.9 | Confident | 124 Ų | 124 | 62.9 Ų | 62.9 | 66% | 0.663 | 38% | 0.378 | S | S | * | . | trans | -47.7 | 120.9 | 176.4 | -159.9 | -6 | 0 | 0 | 0 | 109.2 | G55 A59 A60 N61 | G55-N57 PolarHBondContact O-N 3.29Å; G55-N57 VanDerWaalsContact O-N 3.14Å; N57-A59 PolarHBondContact O-N 2.61Å; N57-A60 HydrophobicContact CB-CB 4.45Å; N57-A60 WeakPolarHBondContact O-CB 3.42Å; N57-A60 PolarHBondContact O-N 2.68Å; N57-N61 PolarHBondContact O-N 2.6Å | ||
| 58 | S | 60.9 | Low | 70.8 | Confident | 96 Ų | 96 | 58.5 Ų | 58.5 | 67% | 0.671 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -57.3 | -27.6 | -170.3 | 80.3 | 0 | 0 | 0 | 0 | 112.4 | G56 A62 | G56-S58 PolarHBondContact O-N 2.91Å; G56-S58 VanDerWaalsContact O-N 3.16Å; S58-A62 WeakPolarHBondContact O-CB 3.1Å; S58-A62 PolarHBondContact O-N 2.88Å |
| 59 | A | 56.3 | Low | 70.5 | Confident | 60 Ų | 60 | 60.8 Ų | 60.8 | 50% | 0.496 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N57 A62 Q63 | N57-A59 PolarHBondContact O-N 2.61Å; A59-A62 PolarHBondContact O-N 2.88Å; A59-Q63 WeakPolarHBondContact O-CB 3.43Å; A59-Q63 PolarHBondContact O-N 2.82Å |
| 60 | A | 63.2 | Low | 69.6 | Low | 32 Ų | 32 | 61.4 Ų | 61.4 | 26% | 0.264 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.9 | -38.4 | -180 | 0 | 0 | 0 | 0 | 0 | 111.8 | N57 Q63 T64 | N57-A60 HydrophobicContact CB-CB 4.45Å; N57-A60 WeakPolarHBondContact O-CB 3.42Å; N57-A60 PolarHBondContact O-N 2.68Å; A60-Q63 PolarHBondContact O-N 2.86Å; A60-T64 WeakPolarHBondContact O-CB 3.48Å; A60-T64 PolarHBondContact O-N 3.49Å; A60-T64 PolarHBondContact O-OG1 3.13Å |
| 61 | N | 70.6 | Confident | 69.3 | Low | 29 Ų | 29 | 61.1 Ų | 61.1 | 16% | 0.155 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66 | -43.5 | 174.4 | -68.6 | -10.8 | 0 | 0 | 0 | 111 | V50 R52 N57 Q63 T64 A65 | V50-N61 HydrophobicContact CB-CB 4.5Å; V50-N61 HydrophobicContact CG1-CB 4.42Å; R52-N61 VanDerWaalsContact CD-OD1 3.29Å; R52-N61 WeakPolarHBondContact CD-OD1 3.36Å; R52-N61 WeakPolarHBondContact CG-OD1 3.36Å; R52-N61 PolarHBondContact NE-OD1 2.81Å; N57-N61 PolarHBondContact O-N 2.6Å; N61-Q63 VanDerWaalsContact C-N 3.35Å; N61-Q63 PolarHBondContact O-N 2.8Å; N61-T64 PolarHBondContact O-N 3.18Å; N61-A65 VanDerWaalsContact O-CB 3.28Å; N61-A65 WeakPolarHBondContact O-CB 3.43Å; N61-A65 PolarHBondContact O-N 2.82Å |
| 62 | A | 70.9 | Confident | 69.4 | Low | 59 Ų | 59 | 55.8 Ų | 55.8 | 49% | 0.488 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S58 A59 A65 F66 | S58-A62 WeakPolarHBondContact O-CB 3.1Å; S58-A62 PolarHBondContact O-N 2.88Å; A59-A62 PolarHBondContact O-N 2.88Å; A62-A65 PolarHBondContact O-N 3.47Å; A62-F66 WeakPolarHBondContact O-CB 3.37Å; A62-F66 PolarHBondContact O-N 2.79Å |
| 63 | Q | 65.6 | Low | 69.5 | Low | 82 Ų | 82 | 55 Ų | 55 | 38% | 0.383 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 175.8 | -170.4 | 175.9 | 9.6 | 0 | 0 | 111.4 | A59 A60 N61 F66 I67 | A59-Q63 WeakPolarHBondContact O-CB 3.43Å; A59-Q63 PolarHBondContact O-N 2.82Å; A60-Q63 PolarHBondContact O-N 2.86Å; N61-Q63 VanDerWaalsContact C-N 3.35Å; N61-Q63 PolarHBondContact O-N 2.8Å; Q63-F66 PolarHBondContact O-N 2.88Å; Q63-I67 HydrophobicContact CG-CD1 4.3Å; Q63-I67 VanDerWaalsContact O-CG1 3.3Å; Q63-I67 WeakPolarHBondContact O-CG1 3.42Å; Q63-I67 PolarHBondContact O-N 2.94Å |
| 64 | T | 75 | Confident | 69.8 | Low | 10 Ų | 10 | 54.7 Ų | 54.7 | 6% | 0.061 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 176.9 | -49.9 | 0 | 0 | 0 | 0 | 111.2 | V50 R52 A60 N61 F66 I67 L68 F99 L100 | V50-T64 HydrophobicContact CG1-CG2 4.48Å; V50-T64 HydrophobicContact CG2-CG2 4.17Å; R52-T64 PolarHBondContact NH2-OG1 3.33Å; R52-T64 VanDerWaalsContact NH2-OG1 3.08Å; A60-T64 WeakPolarHBondContact O-CB 3.48Å; A60-T64 PolarHBondContact O-N 3.49Å; A60-T64 PolarHBondContact O-OG1 3.13Å; N61-T64 PolarHBondContact O-N 3.18Å; T64-F66 PolarHBondContact O-N 2.92Å; T64-I67 PolarHBondContact O-N 3.04Å; T64-L68 HydrophobicContact CG2-CD1 4.02Å; T64-L68 WeakPolarHBondContact O-CG 3.42Å; T64-L68 PolarHBondContact O-N 3.1Å; T64-F99 HydrophobicContact CG2-CD1 4.11Å; T64-F99 HydrophobicContact CG2-CE1 3.72Å; T64-L100 HydrophobicContact CG2-CD1 3.71Å |
| 65 | A | 83.6 | Confident | 71 | Confident | 12 Ų | 12 | 48 Ų | 48 | 10% | 0.099 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60 | -45.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | V50 N61 A62 I67 L68 E69 | V50-A65 HydrophobicContact CB-CB 4.38Å; V50-A65 HydrophobicContact CG2-CB 3.81Å; N61-A65 VanDerWaalsContact O-CB 3.28Å; N61-A65 WeakPolarHBondContact O-CB 3.43Å; N61-A65 PolarHBondContact O-N 2.82Å; A62-A65 PolarHBondContact O-N 3.47Å; A65-I67 PolarHBondContact O-N 3.42Å; A65-L68 PolarHBondContact O-N 2.92Å; A65-E69 WeakPolarHBondContact O-CB 3.48Å; A65-E69 PolarHBondContact O-N 3.35Å |
| 66 | F | 73.7 | Confident | 72.5 | Confident | 114 Ų | 114 | 44 Ų | 44 | 50% | 0.5 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 177.9 | 179.6 | -102.2 | 0 | 0 | 0 | 112.9 | A62 Q63 T64 E69 N70 | A62-F66 WeakPolarHBondContact O-CB 3.37Å; A62-F66 PolarHBondContact O-N 2.79Å; Q63-F66 PolarHBondContact O-N 2.88Å; T64-F66 PolarHBondContact O-N 2.92Å; F66-E69 PolarHBondContact O-N 3.43Å; F66-N70 WeakPolarHBondContact CD1-ND2 3.29Å; F66-N70 WeakPolarHBondContact CE1-ND2 3.41Å; F66-N70 WeakPolarHBondContact CZ-ND2 3.43Å; F66-N70 PolarHBondContact O-N 3.38Å; F66-N70 VanDerWaalsContact O-N 3.09Å; F66-N70 PolarHBondContact O-ND2 2.97Å; F66-N70 VanDerWaalsContact O-ND2 3.08Å |
| 67 | I | 73.6 | Confident | 74.2 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.2 | -51.1 | 175.9 | -69.4 | 165 | 0 | 0 | 0 | 109.9 | Q63 T64 A65 E69 N70 L71 L100 W168 | Q63-I67 HydrophobicContact CG-CD1 4.3Å; Q63-I67 VanDerWaalsContact O-CG1 3.3Å; Q63-I67 WeakPolarHBondContact O-CG1 3.42Å; Q63-I67 PolarHBondContact O-N 2.94Å; T64-I67 PolarHBondContact O-N 3.04Å; A65-I67 PolarHBondContact O-N 3.42Å; I67-E69 VanDerWaalsContact C-N 3.34Å; I67-E69 PolarHBondContact O-N 2.75Å; I67-N70 PolarHBondContact O-N 3.49Å; I67-L71 WeakPolarHBondContact O-CB 3.37Å; I67-L71 PolarHBondContact O-N 3.16Å; I67-L100 HydrophobicContact CD1-CD2 4.48Å; I67-L100 HydrophobicContact CG2-CD1 4.39Å; I67-W168 HydrophobicContact CD1-CG 4.29Å |
| 68 | L | 85.1 | Confident | 75.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.6 | -37.9 | -179.9 | -69.9 | 169.2 | 0 | 0 | 0 | 112.2 | V48 V50 T64 A65 L71 C72 V90 A103 V104 V107 | V48-L68 HydrophobicContact CB-CB 4.4Å; V48-L68 HydrophobicContact CG1-CB 3.87Å; V48-L68 HydrophobicContact CG1-CD1 4.09Å; V48-L68 HydrophobicContact CG2-CB 4.16Å; V50-L68 HydrophobicContact CG2-CD1 4.07Å; T64-L68 HydrophobicContact CG2-CD1 4.02Å; T64-L68 WeakPolarHBondContact O-CG 3.42Å; T64-L68 PolarHBondContact O-N 3.1Å; A65-L68 PolarHBondContact O-N 2.92Å; L68-L71 PolarHBondContact O-N 2.87Å; L68-C72 WeakPolarHBondContact O-CB 3.26Å; L68-C72 PolarHBondContact O-N 3.27Å; L68-C72 PolarHBondContact O-SG 3.33Å; L68-V90 HydrophobicContact CD1-CG2 4.05Å; L68-A103 HydrophobicContact CD1-CB 4.23Å; L68-V104 HydrophobicContact CD2-CB 4.29Å; L68-V104 HydrophobicContact CD2-CG2 3.62Å; L68-V107 HydrophobicContact CD2-CG2 4.35Å |
| 69 | E | 84.6 | Confident | 76.4 | Confident | 58 Ų | 58 | 38.6 Ų | 38.6 | 27% | 0.271 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.9 | -45.3 | -180 | -167.8 | 173.7 | -150.7 | 0 | 0 | 111.1 | I46 V48 A65 F66 I67 T73 | I46-E69 WeakPolarHBondContact O-CG 3.33Å; V48-E69 HydrophobicContact CB-CB 4.2Å; V48-E69 VanDerWaalsContact CG2-CA 3.49Å; V48-E69 HydrophobicContact CG2-CB 3.75Å; V48-E69 HydrophobicContact CG2-CG 4.27Å; A65-E69 WeakPolarHBondContact O-CB 3.48Å; A65-E69 PolarHBondContact O-N 3.35Å; F66-E69 PolarHBondContact O-N 3.43Å; I67-E69 VanDerWaalsContact C-N 3.34Å; I67-E69 PolarHBondContact O-N 2.75Å; E69-T73 VanDerWaalsContact O-CB 3.28Å; E69-T73 WeakPolarHBondContact O-CB 3.35Å; E69-T73 PolarHBondContact O-N 3.47Å; E69-T73 PolarHBondContact O-OG1 2.86Å |
| 70 | N | 72.7 | Confident | 77.7 | Confident | 64 Ų | 64 | 41 Ų | 41 | 34% | 0.342 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 173.7 | -70 | -39.7 | 0 | 0 | 0 | 111.5 | F66 I67 C72 T73 S74 | F66-N70 WeakPolarHBondContact CD1-ND2 3.29Å; F66-N70 WeakPolarHBondContact CE1-ND2 3.41Å; F66-N70 WeakPolarHBondContact CZ-ND2 3.43Å; F66-N70 PolarHBondContact O-N 3.38Å; F66-N70 VanDerWaalsContact O-N 3.09Å; F66-N70 PolarHBondContact O-ND2 2.97Å; F66-N70 VanDerWaalsContact O-ND2 3.08Å; I67-N70 PolarHBondContact O-N 3.49Å; N70-C72 PolarHBondContact O-N 3.03Å; N70-T73 PolarHBondContact O-N 3.12Å; N70-S74 PolarHBondContact O-N 2.88Å; N70-S74 PolarHBondContact O-OG 2.77Å |
| 71 | L | 81.5 | Confident | 78.6 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.4 | -49.6 | 178.9 | -173.1 | 80.8 | 0 | 0 | 0 | 111.5 | I67 L68 T73 S74 A75 V104 F122 V155 F165 | I67-L71 WeakPolarHBondContact O-CB 3.37Å; I67-L71 PolarHBondContact O-N 3.16Å; L68-L71 PolarHBondContact O-N 2.87Å; L71-T73 VanDerWaalsContact C-N 3.33Å; L71-T73 PolarHBondContact O-N 3.33Å; L71-S74 PolarHBondContact O-N 3.39Å; L71-A75 WeakPolarHBondContact O-CB 3.44Å; L71-A75 PolarHBondContact O-N 2.95Å; L71-V104 HydrophobicContact CD2-CB 4.47Å; L71-V104 HydrophobicContact CD2-CG1 3.62Å; L71-V104 HydrophobicContact CD2-CG2 4.22Å; L71-F122 HydrophobicContact CD2-CD2 3.48Å; L71-F122 VanDerWaalsContact CD2-CD2 3.48Å; L71-F122 HydrophobicContact CD2-CE2 3.32Å; L71-F122 HydrophobicContact CD2-CG 4.14Å; L71-F122 HydrophobicContact CD2-CZ 3.9Å; L71-F122 HydrophobicContact CG-CD2 4.2Å; L71-F122 HydrophobicContact CG-CE2 4.16Å; L71-F122 HydrophobicContact CG-CG 4.4Å; L71-F122 HydrophobicContact CG-CZ 4.34Å; L71-V155 HydrophobicContact CD1-CB 4.45Å; L71-V155 HydrophobicContact CD1-CG1 3.71Å; L71-V155 HydrophobicContact CD2-CG1 4.44Å; L71-F165 HydrophobicContact CD1-CD1 3.79Å; L71-F165 HydrophobicContact CD1-CE1 3.8Å |
| 72 | C | 85.9 | Confident | 79 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.5 | -36.2 | 179.2 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | I46 L68 N70 S74 A75 V76 I88 V107 L111 | I46-C72 HydrophobicContact CD1-CB 3.94Å; I46-C72 WeakPolarHBondContact CD1-O 3.5Å; I46-C72 HydrophobicContact CG2-CB 3.96Å; L68-C72 WeakPolarHBondContact O-CB 3.26Å; L68-C72 PolarHBondContact O-N 3.27Å; L68-C72 PolarHBondContact O-SG 3.33Å; N70-C72 PolarHBondContact O-N 3.03Å; C72-S74 VanDerWaalsContact C-N 3.27Å; C72-S74 PolarHBondContact O-N 3.48Å; C72-A75 PolarHBondContact O-N 3.16Å; C72-V76 WeakPolarHBondContact O-CB 3.35Å; C72-V76 WeakPolarHBondContact O-CG2 3.32Å; C72-V76 PolarHBondContact O-N 2.79Å; C72-I88 HydrophobicContact CB-CD1 3.94Å; C72-I88 VanDerWaalsContact SG-CD1 3.54Å; C72-V107 WeakPolarHBondContact SG-CG1 3.28Å; C72-L111 HydrophobicContact CB-CD1 4.38Å |
| 73 | T | 80.5 | Confident | 79.4 | Confident | 60 Ų | 60 | 45.3 Ų | 45.3 | 37% | 0.368 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.8 | -33.4 | 178.5 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | E69 N70 L71 | E69-T73 VanDerWaalsContact O-CB 3.28Å; E69-T73 WeakPolarHBondContact O-CB 3.35Å; E69-T73 PolarHBondContact O-N 3.47Å; E69-T73 PolarHBondContact O-OG1 2.86Å; N70-T73 PolarHBondContact O-N 3.12Å; L71-T73 VanDerWaalsContact C-N 3.33Å; L71-T73 PolarHBondContact O-N 3.33Å |
| 74 | S | 71.7 | Confident | 80.2 | Confident | 62 Ų | 62 | 42.3 Ų | 42.3 | 43% | 0.434 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -76.1 | -36.4 | 173.4 | -65.7 | 0 | 0 | 0 | 0 | 112.7 | N70 L71 C72 | N70-S74 PolarHBondContact O-N 2.88Å; N70-S74 PolarHBondContact O-OG 2.77Å; L71-S74 PolarHBondContact O-N 3.39Å; C72-S74 VanDerWaalsContact C-N 3.27Å; C72-S74 PolarHBondContact O-N 3.48Å |
| 75 | A | 79.8 | Confident | 80.8 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -78.3 | -38.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | L71 C72 M118 F119 F122 | L71-A75 WeakPolarHBondContact O-CB 3.44Å; L71-A75 PolarHBondContact O-N 2.95Å; C72-A75 PolarHBondContact O-N 3.16Å; A75-M118 CarbonylContact O-C 3.47Å; A75-M118 WeakPolarHBondContact O-CA 3.4Å; A75-M118 WeakPolarHBondContact O-CB 3.48Å; A75-F119 PolarHBondContact O-N 2.78Å; A75-F122 HydrophobicContact CB-CD1 3.64Å; A75-F122 HydrophobicContact CB-CE1 3.46Å; A75-F122 VanDerWaalsContact CB-CE1 3.46Å |
| 76 | V | 84.4 | Confident | 81.1 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -82.3 | 137.1 | -178.7 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | I46 C72 V78 I86 L111 M118 | I46-V76 HydrophobicContact CD1-CB 3.88Å; I46-V76 HydrophobicContact CD1-CG1 4.41Å; I46-V76 HydrophobicContact CD1-CG2 3.94Å; C72-V76 WeakPolarHBondContact O-CB 3.35Å; C72-V76 WeakPolarHBondContact O-CG2 3.32Å; C72-V76 PolarHBondContact O-N 2.79Å; V76-V78 HydrophobicContact CB-CG1 4.33Å; V76-V78 HydrophobicContact CG1-CG1 4.26Å; V76-V78 PolarHBondContact O-N 3.43Å; V76-I86 HydrophobicContact CG1-CD1 4.21Å; V76-L111 HydrophobicContact CG2-CD1 4.2Å; V76-L111 HydrophobicContact CG2-CD2 4Å; V76-M118 HydrophobicContact CG2-CG 4.2Å |
| 77 | I | 84.7 | Confident | 81.9 | Confident | 31 Ų | 31 | 39.7 Ų | 39.7 | 16% | 0.159 | 23% | 0.225 | C | C | . | . | trans | -75.8 | 74.1 | 174.5 | -48 | -179.5 | 0 | 0 | 0 | 109.2 | S79 L80 P117 F119 | I77-S79 PolarHBondContact O-N 3.33Å; I77-S79 VanDerWaalsContact O-N 3.07Å; I77-L80 HydrophobicContact CB-CD1 4.05Å; I77-L80 HydrophobicContact CB-CG 4.37Å; I77-L80 HydrophobicContact CD1-CD1 4.19Å; I77-L80 HydrophobicContact CG2-CB 4.33Å; I77-L80 HydrophobicContact CG2-CD1 3.67Å; I77-L80 HydrophobicContact CG2-CG 3.66Å; I77-L80 PolarHBondContact O-N 2.8Å; I77-L80 VanDerWaalsContact O-N 3.09Å; I77-P117 HydrophobicContact CB-CB 4.34Å; I77-P117 HydrophobicContact CD1-CB 4.33Å; I77-P117 HydrophobicContact CG1-CB 4.49Å; I77-P117 PolarHBondContact N-O 3.02Å; I77-F119 HydrophobicContact CB-CD2 4.45Å; I77-F119 HydrophobicContact CB-CE2 4.11Å; I77-F119 HydrophobicContact CB-CZ 4.29Å; I77-F119 HydrophobicContact CD1-CD1 4.09Å; I77-F119 HydrophobicContact CD1-CE1 4.16Å; I77-F119 HydrophobicContact CD1-CG 4.37Å; I77-F119 HydrophobicContact CG1-CD1 3.96Å; I77-F119 HydrophobicContact CG1-CD2 3.73Å; I77-F119 HydrophobicContact CG1-CE1 4.02Å; I77-F119 HydrophobicContact CG1-CE2 3.8Å; I77-F119 HydrophobicContact CG1-CG 3.82Å; I77-F119 HydrophobicContact CG1-CZ 3.94Å; I77-F119 HydrophobicContact CG2-CE1 4.38Å; I77-F119 HydrophobicContact CG2-CE2 4.06Å; I77-F119 HydrophobicContact CG2-CZ 3.81Å | ||
| 78 | V | 82.9 | Confident | 82.9 | Confident | 29 Ų | 29 | 38.8 Ų | 38.8 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -60.5 | -22.6 | -173.2 | -65.2 | 0 | 0 | 0 | 0 | 113.5 | S43 A44 I46 V76 L80 L81 | S43-V78 CarbonylContact C-O 3.11Å; S43-V78 VanDerWaalsContact CA-O 3.22Å; S43-V78 WeakPolarHBondContact CA-O 3.46Å; A44-V78 HydrophobicContact CB-CB 4.1Å; A44-V78 HydrophobicContact CB-CG1 4.22Å; A44-V78 PolarHBondContact N-O 3.09Å; I46-V78 HydrophobicContact CD1-CG1 4.09Å; I46-V78 HydrophobicContact CG1-CG1 4.35Å; V76-V78 HydrophobicContact CB-CG1 4.33Å; V76-V78 HydrophobicContact CG1-CG1 4.26Å; V76-V78 PolarHBondContact O-N 3.43Å; V78-L80 VanDerWaalsContact C-N 3.34Å; V78-L81 PolarHBondContact O-N 3.38Å |
| 79 | S | 79.2 | Confident | 83.3 | Confident | 75 Ų | 75 | 40.1 Ų | 40.1 | 52% | 0.524 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -70.7 | -24.1 | 177.9 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | I77 L81 | I77-S79 PolarHBondContact O-N 3.33Å; I77-S79 VanDerWaalsContact O-N 3.07Å; S79-L81 PolarHBondContact O-N 3.32Å |
| 80 | L | 82.9 | Confident | 83.7 | Confident | 112 Ų | 112 | 37.4 Ų | 37.4 | 59% | 0.586 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -78.4 | -6 | 175.9 | -68.5 | 176.4 | 0 | 0 | 0 | 112.8 | I77 V78 P82 P117 | I77-L80 HydrophobicContact CB-CD1 4.05Å; I77-L80 HydrophobicContact CB-CG 4.37Å; I77-L80 HydrophobicContact CD1-CD1 4.19Å; I77-L80 HydrophobicContact CG2-CB 4.33Å; I77-L80 HydrophobicContact CG2-CD1 3.67Å; I77-L80 HydrophobicContact CG2-CG 3.66Å; I77-L80 PolarHBondContact O-N 2.8Å; I77-L80 VanDerWaalsContact O-N 3.09Å; V78-L80 VanDerWaalsContact C-N 3.34Å; L80-P82 VanDerWaalsContact C-CD 3.42Å; L80-P82 WeakPolarHBondContact O-CD 3.4Å; L80-P117 HydrophobicContact CB-CG 4.3Å; L80-P117 HydrophobicContact CD1-CB 4.02Å; L80-P117 HydrophobicContact CD1-CG 4.25Å |
| 81 | L | 81.5 | Confident | 84.5 | Confident | 27 Ų | 27 | 38.4 Ų | 38.4 | 14% | 0.141 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -128.6 | 56.5 | -172 | -63.6 | 173.8 | 0 | 0 | 0 | 112.1 | P31 S43 A44 V78 S79 T84 I86 L116 P117 | P31-L81 HydrophobicContact CB-CD2 4.47Å; P31-L81 HydrophobicContact CG-CD2 4.32Å; S43-L81 CarbonylContact C-O 3.52Å; A44-L81 WeakPolarHBondContact CA-O 3.45Å; A44-L81 HydrophobicContact CB-CB 3.89Å; A44-L81 PolarHBondContact N-O 2.91Å; V78-L81 PolarHBondContact O-N 3.38Å; S79-L81 PolarHBondContact O-N 3.32Å; L81-T84 HydrophobicContact CB-CG2 4.33Å; L81-T84 WeakPolarHBondContact CB-OG1 3.21Å; L81-T84 PolarHBondContact O-N 2.96Å; L81-T84 PolarHBondContact O-OG1 2.9Å; L81-I86 HydrophobicContact CD1-CD1 4Å; L81-L116 HydrophobicContact CD1-CD2 3.55Å; L81-P117 HydrophobicContact CD1-CG 4.18Å; L81-P117 HydrophobicContact CG-CG 4.33Å |
| 82 | P | 78.5 | Confident | 84.9 | Confident | 70 Ų | 70 | 38.8 Ų | 38.8 | 46% | 0.455 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 142 | -176.4 | 27.6 | -35.2 | 0 | 0 | 0 | 112 | L80 T84 | L80-P82 VanDerWaalsContact C-CD 3.42Å; L80-P82 WeakPolarHBondContact O-CD 3.4Å; P82-T84 PolarHBondContact O-N 3.11Å |
| 83 | K | 80.7 | Confident | 84.8 | Confident | 112 Ų | 112 | 42.3 Ų | 42.3 | 49% | 0.487 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 23.3 | 178.7 | -53.2 | 178.5 | 179.6 | 167.5 | 0 | 115.1 | L34 A41 | L34-K83 VanDerWaalsContact CB-O 3.27Å; L34-K83 WeakPolarHBondContact CB-O 3.46Å; L34-K83 PolarHBondContact N-O 3.39Å; A41-K83 HydrophobicContact CB-CD 4.41Å; A41-K83 HydrophobicContact CB-CG 3.97Å; A41-K83 VanDerWaalsContact O-CG 3.32Å; A41-K83 WeakPolarHBondContact O-CG 3.06Å |
| 84 | T | 82.7 | Confident | 84.8 | Confident | 19 Ų | 19 | 45.7 Ų | 45.7 | 12% | 0.117 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 151.3 | 177.3 | 66.3 | 0 | 0 | 0 | 0 | 111.6 | P31 G32 A44 V45 L81 P82 | P31-T84 HydrophobicContact CB-CG2 3.71Å; G32-T84 CarbonylContact O-C 3.58Å; G32-T84 VanDerWaalsContact O-CA 3.26Å; G32-T84 WeakPolarHBondContact O-CA 3.28Å; A44-T84 CarbonylContact C-O 3.25Å; A44-T84 WeakPolarHBondContact CA-O 3.34Å; A44-T84 WeakPolarHBondContact CB-OG1 3.28Å; V45-T84 PolarHBondContact N-O 3.04Å; L81-T84 HydrophobicContact CB-CG2 4.33Å; L81-T84 WeakPolarHBondContact CB-OG1 3.21Å; L81-T84 PolarHBondContact O-N 2.96Å; L81-T84 PolarHBondContact O-OG1 2.9Å; P82-T84 PolarHBondContact O-N 3.11Å |
| 85 | L | 86.9 | Confident | 84.8 | Confident | 54 Ų | 54 | 44.9 Ų | 44.9 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 127.8 | 168.7 | -177.4 | 66.5 | 0 | 0 | 0 | 107.9 | G32 L34 V45 Q47 | G32-L85 PolarHBondContact N-O 3.35Å; G32-L85 PolarHBondContact O-N 3.03Å; L34-L85 HydrophobicContact CD1-CB 4.12Å; L34-L85 HydrophobicContact CD1-CD1 4.32Å; V45-L85 HydrophobicContact CB-CD1 4.24Å; V45-L85 HydrophobicContact CG1-CD1 4.17Å; V45-L85 WeakPolarHBondContact O-CA 3.14Å; Q47-L85 HydrophobicContact CB-CD1 4.31Å |
| 86 | I | 89.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 110 | 171 | -60.2 | 165.6 | 0 | 0 | 0 | 106.5 | V28 A44 V45 I46 Q47 V76 L81 I88 L116 | V28-I86 HydrophobicContact CG1-CG2 3.78Å; A44-I86 HydrophobicContact CB-CD1 3.9Å; A44-I86 HydrophobicContact CB-CG1 4.49Å; V45-I86 PolarHBondContact O-N 3.01Å; I46-I86 CarbonylContact C-O 3.54Å; I46-I86 WeakPolarHBondContact CA-O 3.27Å; I46-I86 HydrophobicContact CG1-CB 4.25Å; I46-I86 HydrophobicContact CG1-CD1 4.24Å; Q47-I86 PolarHBondContact N-O 2.55Å; V76-I86 HydrophobicContact CG1-CD1 4.21Å; L81-I86 HydrophobicContact CD1-CD1 4Å; I86-I88 HydrophobicContact CG2-CG1 4.16Å; I86-L116 HydrophobicContact CD1-CD1 3.93Å; I86-L116 HydrophobicContact CD1-CD2 3.89Å; I86-L116 HydrophobicContact CG1-CD1 4.36Å; I86-L116 HydrophobicContact CG1-CD2 4.4Å; I86-L116 HydrophobicContact CG2-CD1 3.84Å |
| 87 | S | 91.6 | Very high | 83.3 | Confident | 28 Ų | 28 | 47.1 Ų | 47.1 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 110.8 | 179.4 | -170.2 | 0 | 0 | 0 | 0 | 110.4 | N29 Q47 | N29-S87 PolarHBondContact N-O 2.89Å; N29-S87 PolarHBondContact ND2-O 3.04Å; N29-S87 PolarHBondContact O-N 3.15Å; Q47-S87 CarbonylContact O-C 3.6Å; Q47-S87 WeakPolarHBondContact O-CA 3.31Å |
| 88 | I | 93.9 | Very high | 82.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119 | 177.5 | -50.8 | -179.9 | 0 | 0 | 0 | 107.9 | S27 V28 I46 Q47 V48 V49 C72 I86 V90 V107 L111 | S27-I88 CarbonylContact O-C 3.59Å; S27-I88 WeakPolarHBondContact O-CA 3.38Å; V28-I88 HydrophobicContact CG2-CG1 4.29Å; I46-I88 HydrophobicContact CG2-CD1 3.78Å; I46-I88 HydrophobicContact CG2-CG1 4.22Å; Q47-I88 PolarHBondContact O-N 2.85Å; V48-I88 CarbonylContact C-O 3.57Å; V48-I88 VanDerWaalsContact CA-O 3.29Å; V48-I88 WeakPolarHBondContact CA-O 3.27Å; V48-I88 HydrophobicContact CG2-CB 4.16Å; V48-I88 HydrophobicContact CG2-CD1 4.35Å; V49-I88 PolarHBondContact N-O 3.34Å; C72-I88 HydrophobicContact CB-CD1 3.94Å; C72-I88 VanDerWaalsContact SG-CD1 3.54Å; I86-I88 HydrophobicContact CG2-CG1 4.16Å; I88-V90 HydrophobicContact CG2-CG2 4.13Å; I88-V107 HydrophobicContact CD1-CG1 4.14Å; I88-V107 HydrophobicContact CG2-CG1 4.07Å; I88-V107 HydrophobicContact CG2-CG2 3.93Å; I88-L111 HydrophobicContact CD1-CD2 3.96Å; I88-L111 HydrophobicContact CD1-CG 4.45Å |
| 89 | V | 93.2 | Very high | 82.7 | Confident | 28 Ų | 28 | 44.5 Ų | 44.5 | 17% | 0.17 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 125.2 | 174.2 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | A26 S27 V49 | A26-V89 CarbonylContact C-O 3.57Å; A26-V89 WeakPolarHBondContact CA-O 3.48Å; S27-V89 PolarHBondContact N-O 2.82Å; S27-V89 PolarHBondContact O-N 3.4Å; V49-V89 WeakPolarHBondContact O-CA 3.47Å |
| 90 | V | 93.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 116.1 | 177.1 | -173.9 | 0 | 0 | 0 | 0 | 107.9 | V24 I25 V48 V49 V50 K51 L68 I88 F99 A103 V107 | V24-V90 HydrophobicContact CG1-CG1 3.36Å; I25-V90 CarbonylContact O-C 3.57Å; I25-V90 WeakPolarHBondContact O-CA 3.39Å; V48-V90 HydrophobicContact CG1-CG2 4.18Å; V49-V90 PolarHBondContact O-N 2.88Å; V50-V90 CarbonylContact C-O 3.59Å; V50-V90 WeakPolarHBondContact CA-O 3.33Å; V50-V90 HydrophobicContact CG2-CB 4.33Å; K51-V90 PolarHBondContact N-O 3.07Å; L68-V90 HydrophobicContact CD1-CG2 4.05Å; I88-V90 HydrophobicContact CG2-CG2 4.13Å; V90-F99 HydrophobicContact CG1-CE2 4.38Å; V90-F99 HydrophobicContact CG1-CZ 3.79Å; V90-A103 HydrophobicContact CG1-CB 3.82Å; V90-V107 HydrophobicContact CG2-CG2 3.38Å |
| 91 | Q | 90.8 | Very high | 82.8 | Confident | 86 Ų | 86 | 36.5 Ų | 36.5 | 40% | 0.402 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.3 | -178.1 | -176.7 | 171.2 | -13.7 | 0 | 0 | 110.5 | V24 I25 K51 | V24-Q91 WeakPolarHBondContact CA-O 3.11Å; I25-Q91 PolarHBondContact N-O 3.36Å; I25-Q91 PolarHBondContact O-N 3.44Å; K51-Q91 HydrophobicContact CB-CG 4.38Å; K51-Q91 CarbonylContact O-C 3.52Å; K51-Q91 WeakPolarHBondContact O-CA 3.43Å |
| 92 | E | 87.9 | Confident | 83.1 | Confident | 15 Ų | 15 | 35.2 Ų | 35.2 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 124.3 | 168.7 | -163.7 | 179.3 | 83.3 | 0 | 0 | 109.2 | K51 R52 S95 F99 | K51-E92 PolarHBondContact O-N 2.81Å; R52-E92 HydrophobicContact CB-CB 4.29Å; R52-E92 WeakPolarHBondContact CD-OE2 3.26Å; R52-E92 HydrophobicContact CG-CB 4.16Å; R52-E92 IonicContact NE-OE2 3.09Å; E92-S95 WeakPolarHBondContact OE2-CB 3.47Å; E92-S95 PolarHBondContact OE2-OG 2.83Å; E92-F99 HydrophobicContact CB-CD2 3.91Å; E92-F99 HydrophobicContact CB-CE2 3.57Å; E92-F99 HydrophobicContact CG-CD2 3.69Å; E92-F99 HydrophobicContact CG-CE2 3.91Å; E92-F99 WeakPolarHBondContact OE2-CD2 3.46Å |
| 93 | L | 85.2 | Confident | 83.7 | Confident | 75 Ų | 75 | 31.9 Ų | 31.9 | 39% | 0.393 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -51.4 | 170.7 | -72.4 | -178.9 | 0 | 0 | 0 | 110.4 | I16 T23 I25 | I16-L93 HydrophobicContact CD1-CD1 3.72Å; I16-L93 HydrophobicContact CG1-CD1 4.5Å; T23-L93 HydrophobicContact CG2-CB 4.22Å; T23-L93 HydrophobicContact CG2-CD1 3.87Å; T23-L93 PolarHBondContact O-N 3.03Å; I25-L93 HydrophobicContact CD1-CD1 3.5Å; I25-L93 HydrophobicContact CD1-CD2 4.06Å; I25-L93 HydrophobicContact CD1-CG 3.89Å; I25-L93 HydrophobicContact CG1-CD1 3.75Å; I25-L93 HydrophobicContact CG1-CG 4.08Å |
| 94 | E | 79.3 | Confident | 84.1 | Confident | 130 Ų | 130 | 26.6 Ų | 26.6 | 61% | 0.607 | 15% | 0.148 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -144 | 141 | -179.9 | -156.3 | 169.2 | -172.2 | 0 | 0 | 106.9 | T22 T23 | T22-E94 CarbonylContact C-O 3.46Å; T22-E94 WeakPolarHBondContact CA-O 3.45Å; T23-E94 PolarHBondContact N-O 2.89Å; T23-E94 PolarHBondContact O-N 3.42Å |
| 95 | S | 73.1 | Confident | 84.5 | Confident | 46 Ų | 46 | 26.4 Ų | 26.4 | 32% | 0.322 | 15% | 0.146 | S | C | . | . | trans | -144.7 | 121.2 | -174.7 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | E92 G97 | E92-S95 WeakPolarHBondContact OE2-CB 3.47Å; E92-S95 PolarHBondContact OE2-OG 2.83Å; S95-G97 VanDerWaalsContact C-N 3.25Å; S95-G97 PolarHBondContact OG-N 2.93Å; S95-G97 VanDerWaalsContact OG-N 3.09Å | ||
| 96 | D | 69.3 | Low | 84.7 | Confident | 25 Ų | 25 | 23.8 Ų | 23.8 | 13% | 0.134 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -94.4 | 39.2 | 160.1 | 68.4 | -1.4 | 0 | 0 | 0 | 109.8 | K21 T22 S98 S142 | K21-D96 HydrophobicContact CB-CB 3.98Å; K21-D96 WeakPolarHBondContact CB-OD2 3.08Å; K21-D96 PolarHBondContact N-OD2 2.78Å; T22-D96 WeakPolarHBondContact CB-OD1 3.44Å; T22-D96 PolarHBondContact N-OD1 2.82Å; T22-D96 PolarHBondContact OG1-N 2.92Å; T22-D96 PolarHBondContact OG1-OD1 3.21Å; D96-S98 VanDerWaalsContact C-N 3.3Å; D96-S98 PolarHBondContact O-N 2.93Å; D96-S98 PolarHBondContact OD1-OG 3.32Å; D96-S98 VanDerWaalsContact OD1-OG 3.1Å; D96-S142 VanDerWaalsContact CA-OG 3.27Å; D96-S142 WeakPolarHBondContact CA-OG 3.23Å; D96-S142 WeakPolarHBondContact O-CA 3.48Å; D96-S142 WeakPolarHBondContact O-CB 3.41Å; D96-S142 PolarHBondContact O-N 3.22Å; D96-S142 PolarHBondContact O-OG 3.37Å |
| 97 | G | 64 | Low | 85 | Confident | 27 Ų | 27 | 23.8 Ų | 23.8 | 28% | 0.278 | 13% | 0.133 | S | C | . | . | S | Bend | trans | 89.7 | -31 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S95 F99 | S95-G97 VanDerWaalsContact C-N 3.25Å; S95-G97 PolarHBondContact OG-N 2.93Å; S95-G97 VanDerWaalsContact OG-N 3.09Å; G97-F99 PolarHBondContact O-N 2.78Å |
| 98 | S | 71.1 | Confident | 85 | Confident | 4 Ų | 4 | 22.8 Ų | 22.8 | 3% | 0.028 | 13% | 0.125 | C | C | . | . | trans | -76.1 | 36.5 | -176.9 | 67 | 0 | 0 | 0 | 0 | 114.6 | T22 D96 L100 Q101 A102 E145 | T22-S98 WeakPolarHBondContact CB-OG 3.28Å; T22-S98 PolarHBondContact OG1-OG 2.87Å; D96-S98 VanDerWaalsContact C-N 3.3Å; D96-S98 PolarHBondContact O-N 2.93Å; D96-S98 PolarHBondContact OD1-OG 3.32Å; D96-S98 VanDerWaalsContact OD1-OG 3.1Å; S98-L100 PolarHBondContact O-N 2.71Å; S98-Q101 VanDerWaalsContact O-CG 3.23Å; S98-Q101 WeakPolarHBondContact O-CG 3.33Å; S98-A102 PolarHBondContact O-N 3.29Å; S98-E145 WeakPolarHBondContact CA-OE1 3.41Å | ||
| 99 | F | 82.2 | Confident | 84.9 | Confident | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | -172.6 | 179.7 | -97.7 | 0 | 0 | 0 | 113.7 | V24 V50 R52 T64 V90 E92 G97 A102 A103 | V24-F99 HydrophobicContact CG1-CE2 4.02Å; V24-F99 HydrophobicContact CG2-CD2 3.67Å; V24-F99 HydrophobicContact CG2-CE2 3.69Å; V50-F99 HydrophobicContact CG1-CE1 3.66Å; V50-F99 HydrophobicContact CG1-CZ 3.72Å; R52-F99 HydrophobicContact CG-CZ 4.42Å; T64-F99 HydrophobicContact CG2-CD1 4.11Å; T64-F99 HydrophobicContact CG2-CE1 3.72Å; V90-F99 HydrophobicContact CG1-CE2 4.38Å; V90-F99 HydrophobicContact CG1-CZ 3.79Å; E92-F99 HydrophobicContact CB-CD2 3.91Å; E92-F99 HydrophobicContact CB-CE2 3.57Å; E92-F99 HydrophobicContact CG-CD2 3.69Å; E92-F99 HydrophobicContact CG-CE2 3.91Å; E92-F99 WeakPolarHBondContact OE2-CD2 3.46Å; G97-F99 PolarHBondContact O-N 2.78Å; F99-A102 PolarHBondContact O-N 2.93Å; F99-A103 HydrophobicContact CD1-CB 4.25Å; F99-A103 HydrophobicContact CE1-CB 3.91Å; F99-A103 HydrophobicContact CE2-CB 4.46Å; F99-A103 HydrophobicContact CZ-CB 4.03Å; F99-A103 WeakPolarHBondContact O-CB 3.38Å; F99-A103 PolarHBondContact O-N 3.19Å |
| 100 | L | 81.8 | Confident | 84.9 | Confident | 18 Ų | 18 | 23.6 Ų | 23.6 | 9% | 0.094 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.9 | -47.9 | -171.4 | -178.2 | 62.7 | 0 | 0 | 0 | 111.7 | T64 I67 S98 A102 A103 V104 T153 W168 | T64-L100 HydrophobicContact CG2-CD1 3.71Å; I67-L100 HydrophobicContact CD1-CD2 4.48Å; I67-L100 HydrophobicContact CG2-CD1 4.39Å; S98-L100 PolarHBondContact O-N 2.71Å; L100-A102 PolarHBondContact O-N 3.37Å; L100-A103 PolarHBondContact O-N 2.72Å; L100-V104 HydrophobicContact CD1-CG2 4.44Å; L100-V104 VanDerWaalsContact O-CG2 3.31Å; L100-V104 WeakPolarHBondContact O-CG2 3.43Å; L100-V104 PolarHBondContact O-N 2.64Å; L100-T153 HydrophobicContact CD2-CG2 4.01Å; L100-T153 HydrophobicContact CG-CG2 4.22Å; L100-W168 HydrophobicContact CD2-CD2 4.08Å; L100-W168 HydrophobicContact CD2-CE3 3.81Å; L100-W168 HydrophobicContact CD2-CG 4.41Å; L100-W168 HydrophobicContact CD2-CZ3 4.37Å |
| 101 | Q | 83.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 176.5 | 60 | 175.7 | 18.7 | 0 | 0 | 111.9 | Q19 S98 A103 V104 N105 A124 T126 | Q19-Q101 VanDerWaalsContact CD-NE2 3.27Å; S98-Q101 VanDerWaalsContact O-CG 3.23Å; S98-Q101 WeakPolarHBondContact O-CG 3.33Å; Q101-A103 VanDerWaalsContact C-N 3.31Å; Q101-A103 PolarHBondContact O-N 3.09Å; Q101-V104 PolarHBondContact O-N 2.73Å; Q101-N105 WeakPolarHBondContact O-CB 3.47Å; Q101-N105 VanDerWaalsContact O-CG 3.23Å; Q101-N105 PolarHBondContact O-N 3.39Å; Q101-N105 PolarHBondContact O-ND2 3.13Å; Q101-A124 HydrophobicContact CB-CB 4.2Å; Q101-T126 PolarHBondContact OE1-OG1 3.04Å |
| 102 | A | 87.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y17 T22 V24 S98 F99 L100 A106 | Y17-A102 HydrophobicContact CD1-CB 4.08Å; Y17-A102 HydrophobicContact CE1-CB 4.39Å; T22-A102 HydrophobicContact CG2-CB 3.76Å; V24-A102 HydrophobicContact CG2-CB 3.74Å; S98-A102 PolarHBondContact O-N 3.29Å; F99-A102 PolarHBondContact O-N 2.93Å; L100-A102 PolarHBondContact O-N 3.37Å; A102-A106 WeakPolarHBondContact O-CB 3.27Å; A102-A106 PolarHBondContact O-N 3.31Å |
| 103 | A | 90.4 | Very high | 85 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.8 | -45.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | V24 L68 V90 F99 L100 Q101 N105 A106 V107 | V24-A103 HydrophobicContact CG1-CB 4.3Å; L68-A103 HydrophobicContact CD1-CB 4.23Å; V90-A103 HydrophobicContact CG1-CB 3.82Å; F99-A103 HydrophobicContact CD1-CB 4.25Å; F99-A103 HydrophobicContact CE1-CB 3.91Å; F99-A103 HydrophobicContact CE2-CB 4.46Å; F99-A103 HydrophobicContact CZ-CB 4.03Å; F99-A103 WeakPolarHBondContact O-CB 3.38Å; F99-A103 PolarHBondContact O-N 3.19Å; L100-A103 PolarHBondContact O-N 2.72Å; Q101-A103 VanDerWaalsContact C-N 3.31Å; Q101-A103 PolarHBondContact O-N 3.09Å; A103-N105 VanDerWaalsContact C-N 3.35Å; A103-A106 PolarHBondContact O-N 3.32Å; A103-V107 WeakPolarHBondContact O-CB 3.26Å; A103-V107 WeakPolarHBondContact O-CG2 3.07Å; A103-V107 PolarHBondContact O-N 3Å |
| 104 | V | 89.4 | Confident | 85.2 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.3 | -49 | 176.2 | 171 | 0 | 0 | 0 | 0 | 110.2 | L68 L71 L100 Q101 A106 V107 C108 F122 A124 V155 | L68-V104 HydrophobicContact CD2-CB 4.29Å; L68-V104 HydrophobicContact CD2-CG2 3.62Å; L71-V104 HydrophobicContact CD2-CB 4.47Å; L71-V104 HydrophobicContact CD2-CG1 3.62Å; L71-V104 HydrophobicContact CD2-CG2 4.22Å; L100-V104 HydrophobicContact CD1-CG2 4.44Å; L100-V104 VanDerWaalsContact O-CG2 3.31Å; L100-V104 WeakPolarHBondContact O-CG2 3.43Å; L100-V104 PolarHBondContact O-N 2.64Å; Q101-V104 PolarHBondContact O-N 2.73Å; V104-A106 PolarHBondContact O-N 3.07Å; V104-V107 PolarHBondContact O-N 3.47Å; V104-C108 PolarHBondContact O-N 3.02Å; V104-F122 HydrophobicContact CG1-CD2 3.64Å; V104-F122 HydrophobicContact CG1-CE2 3.88Å; V104-F122 WeakPolarHBondContact O-CE2 3.49Å; V104-A124 HydrophobicContact CB-CB 3.67Å; V104-A124 HydrophobicContact CG1-CB 3.61Å; V104-A124 HydrophobicContact CG2-CB 4.16Å; V104-V155 HydrophobicContact CG1-CG1 4.25Å |
| 105 | N | 90.6 | Very high | 85.6 | Confident | 15 Ų | 15 | 19.4 Ų | 19.4 | 8% | 0.08 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.9 | -41.6 | -179.5 | -65.7 | -20.3 | 0 | 0 | 0 | 111.9 | Y17 Q101 A103 V107 C108 L109 A123 A124 | Y17-N105 HydrophobicContact CD1-CB 4.17Å; Y17-N105 HydrophobicContact CD2-CB 4.41Å; Y17-N105 HydrophobicContact CE1-CB 3.73Å; Y17-N105 HydrophobicContact CE2-CB 4.02Å; Y17-N105 HydrophobicContact CG-CB 4.49Å; Q101-N105 WeakPolarHBondContact O-CB 3.47Å; Q101-N105 VanDerWaalsContact O-CG 3.23Å; Q101-N105 PolarHBondContact O-N 3.39Å; Q101-N105 PolarHBondContact O-ND2 3.13Å; A103-N105 VanDerWaalsContact C-N 3.35Å; N105-V107 PolarHBondContact O-N 2.93Å; N105-C108 PolarHBondContact O-N 3.41Å; N105-L109 WeakPolarHBondContact O-CG 3.44Å; N105-L109 PolarHBondContact O-N 3.14Å; N105-A123 WeakPolarHBondContact OD1-CA 3.4Å; N105-A124 PolarHBondContact ND2-O 3.47Å; N105-A124 PolarHBondContact OD1-N 3.49Å |
| 106 | A | 92.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y17 V24 A26 A102 A103 V104 L109 A110 | Y17-A106 HydrophobicContact CG-CB 4.41Å; V24-A106 HydrophobicContact CB-CB 4.37Å; V24-A106 HydrophobicContact CG1-CB 4.23Å; A26-A106 HydrophobicContact CB-CB 3.73Å; A26-A106 WeakPolarHBondContact CB-O 3.25Å; A102-A106 WeakPolarHBondContact O-CB 3.27Å; A102-A106 PolarHBondContact O-N 3.31Å; A103-A106 PolarHBondContact O-N 3.32Å; V104-A106 PolarHBondContact O-N 3.07Å; A106-L109 PolarHBondContact O-N 2.97Å; A106-A110 WeakPolarHBondContact O-CB 3.34Å; A106-A110 PolarHBondContact O-N 3.19Å |
| 107 | V | 94.3 | Very high | 87 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.9 | -41.5 | -179.4 | 170 | 0 | 0 | 0 | 0 | 111.3 | A26 L68 C72 I88 V90 A103 V104 N105 L109 A110 L111 F122 | A26-V107 HydrophobicContact CB-CG2 3.87Å; L68-V107 HydrophobicContact CD2-CG2 4.35Å; C72-V107 WeakPolarHBondContact SG-CG1 3.28Å; I88-V107 HydrophobicContact CD1-CG1 4.14Å; I88-V107 HydrophobicContact CG2-CG1 4.07Å; I88-V107 HydrophobicContact CG2-CG2 3.93Å; V90-V107 HydrophobicContact CG2-CG2 3.38Å; A103-V107 WeakPolarHBondContact O-CB 3.26Å; A103-V107 WeakPolarHBondContact O-CG2 3.07Å; A103-V107 PolarHBondContact O-N 3Å; V104-V107 PolarHBondContact O-N 3.47Å; N105-V107 PolarHBondContact O-N 2.93Å; V107-L109 VanDerWaalsContact C-N 3.31Å; V107-L109 PolarHBondContact O-N 3.32Å; V107-A110 PolarHBondContact O-N 2.82Å; V107-L111 HydrophobicContact CG1-CD1 4.03Å; V107-L111 HydrophobicContact CG1-CG 4.31Å; V107-L111 WeakPolarHBondContact O-CB 3.2Å; V107-L111 WeakPolarHBondContact O-CG 3.22Å; V107-L111 PolarHBondContact O-N 2.86Å; V107-F122 HydrophobicContact CG1-CZ 4.39Å |
| 108 | C | 91.7 | Very high | 88.1 | Confident | 6 Ų | 6 | 19.3 Ų | 19.3 | 4% | 0.041 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.1 | -47.4 | 174.6 | -168.9 | 0 | 0 | 0 | 0 | 111 | V104 N105 A110 L111 I112 F122 | V104-C108 PolarHBondContact O-N 3.02Å; N105-C108 PolarHBondContact O-N 3.41Å; C108-A110 PolarHBondContact O-N 3.23Å; C108-L111 PolarHBondContact O-N 3.46Å; C108-I112 VanDerWaalsContact O-CG1 3.28Å; C108-I112 WeakPolarHBondContact O-CG1 3.22Å; C108-I112 PolarHBondContact O-N 2.78Å; C108-F122 HydrophobicContact CB-CD2 3.71Å; C108-F122 HydrophobicContact CB-CE1 4.27Å; C108-F122 HydrophobicContact CB-CE2 3.46Å; C108-F122 VanDerWaalsContact CB-CE2 3.46Å; C108-F122 HydrophobicContact CB-CG 4.25Å; C108-F122 HydrophobicContact CB-CZ 3.78Å; C108-F122 WeakPolarHBondContact CB-O 3.3Å; C108-F122 PolarHBondContact SG-N 3.28Å; C108-F122 VanDerWaalsContact SG-N 3.39Å; C108-F122 PolarHBondContact SG-O 3.31Å |
| 109 | L | 92.4 | Very high | 88.4 | Confident | 46 Ų | 46 | 25.7 Ų | 25.7 | 24% | 0.241 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.3 | -39.3 | 179.6 | -68.5 | 171.3 | 0 | 0 | 0 | 112.4 | C3 C15 Y17 N105 A106 V107 L111 I112 D113 | C3-L109 HydrophobicContact CB-CD1 4.02Å; C15-L109 HydrophobicContact CB-CB 3.83Å; Y17-L109 HydrophobicContact CD2-CD1 3.68Å; Y17-L109 HydrophobicContact CE2-CD1 4.12Å; N105-L109 WeakPolarHBondContact O-CG 3.44Å; N105-L109 PolarHBondContact O-N 3.14Å; A106-L109 PolarHBondContact O-N 2.97Å; V107-L109 VanDerWaalsContact C-N 3.31Å; V107-L109 PolarHBondContact O-N 3.32Å; L109-L111 VanDerWaalsContact C-N 3.35Å; L109-I112 PolarHBondContact O-N 2.79Å; L109-D113 WeakPolarHBondContact O-CB 3.44Å; L109-D113 PolarHBondContact O-N 2.83Å |
| 110 | A | 93.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68 | -33.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C15 A26 V28 A106 V107 C108 S114 | C15-A110 HydrophobicContact CB-CB 4.2Å; A26-A110 HydrophobicContact CB-CB 3.82Å; V28-A110 HydrophobicContact CG2-CB 3.85Å; A106-A110 WeakPolarHBondContact O-CB 3.34Å; A106-A110 PolarHBondContact O-N 3.19Å; V107-A110 PolarHBondContact O-N 2.82Å; C108-A110 PolarHBondContact O-N 3.23Å; A110-S114 WeakPolarHBondContact O-CB 3.46Å; A110-S114 PolarHBondContact O-N 2.78Å |
| 111 | L | 92.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.4 | -42 | 172.6 | -74.2 | 171.1 | 0 | 0 | 0 | 111.5 | V28 C72 V76 I88 V107 C108 L109 S114 L116 M118 F122 | V28-L111 HydrophobicContact CG1-CD2 4.35Å; V28-L111 HydrophobicContact CG2-CD2 3.95Å; V28-L111 HydrophobicContact CG2-CG 4.26Å; C72-L111 HydrophobicContact CB-CD1 4.38Å; V76-L111 HydrophobicContact CG2-CD1 4.2Å; V76-L111 HydrophobicContact CG2-CD2 4Å; I88-L111 HydrophobicContact CD1-CD2 3.96Å; I88-L111 HydrophobicContact CD1-CG 4.45Å; V107-L111 HydrophobicContact CG1-CD1 4.03Å; V107-L111 HydrophobicContact CG1-CG 4.31Å; V107-L111 WeakPolarHBondContact O-CB 3.2Å; V107-L111 WeakPolarHBondContact O-CG 3.22Å; V107-L111 PolarHBondContact O-N 2.86Å; C108-L111 PolarHBondContact O-N 3.46Å; L109-L111 VanDerWaalsContact C-N 3.35Å; L111-S114 PolarHBondContact O-N 2.59Å; L111-S114 PolarHBondContact O-OG 3.1Å; L111-L116 HydrophobicContact CD2-CD1 3.69Å; L111-M118 HydrophobicContact CB-CE 4.37Å; L111-M118 HydrophobicContact CB-SD 3.64Å; L111-M118 HydrophobicContact CD1-SD 4.07Å; L111-M118 HydrophobicContact CG-SD 4.43Å; L111-F122 HydrophobicContact CD1-CE1 4.08Å; L111-F122 HydrophobicContact CD1-CZ 3.92Å |
| 112 | I | 89.1 | Confident | 88.3 | Confident | 85 Ų | 85 | 29.3 Ų | 29.3 | 44% | 0.436 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 174.3 | -66.4 | 166.3 | 0 | 0 | 0 | 110.4 | C108 L109 S114 G115 M118 T121 | C108-I112 VanDerWaalsContact O-CG1 3.28Å; C108-I112 WeakPolarHBondContact O-CG1 3.22Å; C108-I112 PolarHBondContact O-N 2.78Å; L109-I112 PolarHBondContact O-N 2.79Å; I112-S114 VanDerWaalsContact C-N 3.27Å; I112-S114 PolarHBondContact O-N 3.48Å; I112-G115 PolarHBondContact O-N 2.78Å; I112-G115 VanDerWaalsContact O-N 3.14Å; I112-M118 HydrophobicContact CG1-CE 3.52Å; I112-T121 HydrophobicContact CD1-CG2 3.89Å; I112-T121 HydrophobicContact CG1-CG2 4.29Å |
| 113 | D | 91.6 | Very high | 88.2 | Confident | 46 Ų | 46 | 31.6 Ų | 31.6 | 25% | 0.246 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.5 | -37.8 | 178 | -169.5 | 45.3 | 0 | 0 | 0 | 112.5 | V5 S6 G13 S14 L109 G115 | V5-D113 HydrophobicContact CG1-CB 3.45Å; V5-D113 VanDerWaalsContact CG1-CB 3.45Å; V5-D113 WeakPolarHBondContact CG1-OD1 3.36Å; S6-D113 WeakPolarHBondContact CA-OD2 3.36Å; S6-D113 PolarHBondContact N-OD2 3.39Å; S6-D113 PolarHBondContact OG-OD1 3.16Å; S6-D113 PolarHBondContact OG-OD2 3.24Å; G13-D113 VanDerWaalsContact CA-OD2 3.27Å; G13-D113 WeakPolarHBondContact CA-OD2 3.37Å; S14-D113 PolarHBondContact N-OD2 2.79Å; L109-D113 WeakPolarHBondContact O-CB 3.44Å; L109-D113 PolarHBondContact O-N 2.83Å; D113-G115 PolarHBondContact O-N 3.27Å; D113-G115 VanDerWaalsContact O-N 3.17Å |
| 114 | S | 90.4 | Very high | 88 | Confident | 21 Ų | 21 | 32 Ų | 32 | 15% | 0.147 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -11.6 | 179.5 | 71 | 0 | 0 | 0 | 0 | 114.7 | D12 A110 L111 I112 L116 | D12-S114 WeakPolarHBondContact O-CA 3.48Å; A110-S114 WeakPolarHBondContact O-CB 3.46Å; A110-S114 PolarHBondContact O-N 2.78Å; L111-S114 PolarHBondContact O-N 2.59Å; L111-S114 PolarHBondContact O-OG 3.1Å; I112-S114 VanDerWaalsContact C-N 3.27Å; I112-S114 PolarHBondContact O-N 3.48Å; S114-L116 PolarHBondContact O-N 3.15Å; S114-L116 WeakPolarHBondContact OG-CD1 3.26Å; S114-L116 VanDerWaalsContact OG-CG 3.3Å; S114-L116 WeakPolarHBondContact OG-CG 3.19Å |
| 115 | G | 86.4 | Confident | 87.6 | Confident | 65 Ų | 65 | 33.7 Ų | 33.7 | 67% | 0.67 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 18 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I112 D113 | I112-G115 PolarHBondContact O-N 2.78Å; I112-G115 VanDerWaalsContact O-N 3.14Å; D113-G115 PolarHBondContact O-N 3.27Å; D113-G115 VanDerWaalsContact O-N 3.17Å |
| 116 | L | 88.8 | Confident | 87.2 | Confident | 12 Ų | 12 | 33 Ų | 33 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | trans | -66.7 | 138.3 | 175.9 | -75.4 | 169.9 | 0 | 0 | 0 | 110.6 | V28 L81 I86 L111 S114 M118 | V28-L116 HydrophobicContact CG1-CD1 3.79Å; L81-L116 HydrophobicContact CD1-CD2 3.55Å; I86-L116 HydrophobicContact CD1-CD1 3.93Å; I86-L116 HydrophobicContact CD1-CD2 3.89Å; I86-L116 HydrophobicContact CG1-CD1 4.36Å; I86-L116 HydrophobicContact CG1-CD2 4.4Å; I86-L116 HydrophobicContact CG2-CD1 3.84Å; L111-L116 HydrophobicContact CD2-CD1 3.69Å; S114-L116 PolarHBondContact O-N 3.15Å; S114-L116 WeakPolarHBondContact OG-CD1 3.26Å; S114-L116 VanDerWaalsContact OG-CG 3.3Å; S114-L116 WeakPolarHBondContact OG-CG 3.19Å; L116-M118 PolarHBondContact O-N 3.39Å | ||
| 117 | P | 84.4 | Confident | 86.6 | Confident | 44 Ų | 44 | 35.1 Ų | 35.1 | 29% | 0.286 | 22% | 0.215 | S | C | . | . | trans | -66.2 | 122 | 175 | 26.9 | -32.8 | 0 | 0 | 0 | 110 | I77 L80 L81 | I77-P117 HydrophobicContact CB-CB 4.34Å; I77-P117 HydrophobicContact CD1-CB 4.33Å; I77-P117 HydrophobicContact CG1-CB 4.49Å; I77-P117 PolarHBondContact N-O 3.02Å; L80-P117 HydrophobicContact CB-CG 4.3Å; L80-P117 HydrophobicContact CD1-CB 4.02Å; L80-P117 HydrophobicContact CD1-CG 4.25Å; L81-P117 HydrophobicContact CD1-CG 4.18Å; L81-P117 HydrophobicContact CG-CG 4.33Å | ||
| 118 | M | 86.7 | Confident | 85.7 | Confident | 41 Ų | 41 | 35.1 Ų | 35.1 | 20% | 0.202 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -121.4 | 147 | 178.9 | -62.5 | -167.3 | -62.6 | 0 | 0 | 110.7 | A75 V76 L111 I112 L116 T121 | A75-M118 CarbonylContact O-C 3.47Å; A75-M118 WeakPolarHBondContact O-CA 3.4Å; A75-M118 WeakPolarHBondContact O-CB 3.48Å; V76-M118 HydrophobicContact CG2-CG 4.2Å; L111-M118 HydrophobicContact CB-CE 4.37Å; L111-M118 HydrophobicContact CB-SD 3.64Å; L111-M118 HydrophobicContact CD1-SD 4.07Å; L111-M118 HydrophobicContact CG-SD 4.43Å; I112-M118 HydrophobicContact CG1-CE 3.52Å; L116-M118 PolarHBondContact O-N 3.39Å; M118-T121 HydrophobicContact CE-CG2 4.18Å |
| 119 | F | 77.5 | Confident | 84.7 | Confident | 137 Ų | 137 | 37.9 Ų | 37.9 | 60% | 0.601 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -69.6 | -41.2 | 169.6 | -74.9 | -68 | 0 | 0 | 0 | 111 | A75 I77 | A75-F119 PolarHBondContact O-N 2.78Å; I77-F119 HydrophobicContact CB-CD2 4.45Å; I77-F119 HydrophobicContact CB-CE2 4.11Å; I77-F119 HydrophobicContact CB-CZ 4.29Å; I77-F119 HydrophobicContact CD1-CD1 4.09Å; I77-F119 HydrophobicContact CD1-CE1 4.16Å; I77-F119 HydrophobicContact CD1-CG 4.37Å; I77-F119 HydrophobicContact CG1-CD1 3.96Å; I77-F119 HydrophobicContact CG1-CD2 3.73Å; I77-F119 HydrophobicContact CG1-CE1 4.02Å; I77-F119 HydrophobicContact CG1-CE2 3.8Å; I77-F119 HydrophobicContact CG1-CG 3.82Å; I77-F119 HydrophobicContact CG1-CZ 3.94Å; I77-F119 HydrophobicContact CG2-CE1 4.38Å; I77-F119 HydrophobicContact CG2-CE2 4.06Å; I77-F119 HydrophobicContact CG2-CZ 3.81Å |
| 120 | D | 74.5 | Confident | 83.6 | Confident | 32 Ų | 32 | 37.5 Ų | 37.5 | 17% | 0.171 | 23% | 0.227 | C | C | . | . | trans | -152.6 | 162.5 | -173.6 | -110.8 | -45.6 | 0 | 0 | 0 | 112 | L157 H159 | D120-L157 HydrophobicContact CB-CD2 3.91Å; D120-H159 IonicContact OD2-CD2 3.93Å; D120-H159 PolarHBondContact OD2-CD2 2.92Å; D120-H159 IonicContact OD2-CG 2.77Å | ||
| 121 | T | 83.8 | Confident | 81.9 | Confident | 54 Ų | 54 | 41.1 Ų | 41.1 | 33% | 0.331 | 25% | 0.251 | S | S | . | . | trans | -99 | 152.3 | 167.3 | 57.9 | 0 | 0 | 0 | 0 | 110.2 | I112 M118 H158 | I112-T121 HydrophobicContact CD1-CG2 3.89Å; I112-T121 HydrophobicContact CG1-CG2 4.29Å; M118-T121 HydrophobicContact CE-CG2 4.18Å; T121-H158 PolarHBondContact O-N 3.4Å | ||
| 122 | F | 86.5 | Confident | 80.3 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 4% | 0.044 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 150.3 | -175 | 52.7 | -94.3 | 0 | 0 | 0 | 112.8 | L71 A75 V104 V107 C108 L111 V155 F156 L157 | L71-F122 HydrophobicContact CD2-CD2 3.48Å; L71-F122 VanDerWaalsContact CD2-CD2 3.48Å; L71-F122 HydrophobicContact CD2-CE2 3.32Å; L71-F122 HydrophobicContact CD2-CG 4.14Å; L71-F122 HydrophobicContact CD2-CZ 3.9Å; L71-F122 HydrophobicContact CG-CD2 4.2Å; L71-F122 HydrophobicContact CG-CE2 4.16Å; L71-F122 HydrophobicContact CG-CG 4.4Å; L71-F122 HydrophobicContact CG-CZ 4.34Å; A75-F122 HydrophobicContact CB-CD1 3.64Å; A75-F122 HydrophobicContact CB-CE1 3.46Å; A75-F122 VanDerWaalsContact CB-CE1 3.46Å; V104-F122 HydrophobicContact CG1-CD2 3.64Å; V104-F122 HydrophobicContact CG1-CE2 3.88Å; V104-F122 WeakPolarHBondContact O-CE2 3.49Å; V107-F122 HydrophobicContact CG1-CZ 4.39Å; C108-F122 HydrophobicContact CB-CD2 3.71Å; C108-F122 HydrophobicContact CB-CE1 4.27Å; C108-F122 HydrophobicContact CB-CE2 3.46Å; C108-F122 VanDerWaalsContact CB-CE2 3.46Å; C108-F122 HydrophobicContact CB-CG 4.25Å; C108-F122 HydrophobicContact CB-CZ 3.78Å; C108-F122 WeakPolarHBondContact CB-O 3.3Å; C108-F122 PolarHBondContact SG-N 3.28Å; C108-F122 VanDerWaalsContact SG-N 3.39Å; C108-F122 PolarHBondContact SG-O 3.31Å; L111-F122 HydrophobicContact CD1-CE1 4.08Å; L111-F122 HydrophobicContact CD1-CZ 3.92Å; F122-V155 HydrophobicContact CB-CG1 4.18Å; F122-F156 CarbonylContact C-O 3.55Å; F122-F156 VanDerWaalsContact CA-O 3.24Å; F122-F156 WeakPolarHBondContact CA-O 3.45Å; F122-L157 HydrophobicContact CB-CD2 3.94Å |
| 123 | A | 85.4 | Confident | 78.9 | Confident | 49 Ų | 49 | 48.8 Ų | 48.8 | 41% | 0.405 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 143.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N105 V155 F156 | N105-A123 WeakPolarHBondContact OD1-CA 3.4Å; A123-V155 CarbonylContact O-C 3.57Å; A123-V155 WeakPolarHBondContact O-CA 3.41Å; A123-F156 PolarHBondContact N-O 3.13Å; A123-F156 PolarHBondContact O-N 2.97Å |
| 124 | A | 86 | Confident | 77.3 | Confident | 7 Ų | 7 | 55 Ų | 55 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 142.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q101 V104 N105 T153 A154 V155 | Q101-A124 HydrophobicContact CB-CB 4.2Å; V104-A124 HydrophobicContact CB-CB 3.67Å; V104-A124 HydrophobicContact CG1-CB 3.61Å; V104-A124 HydrophobicContact CG2-CB 4.16Å; N105-A124 PolarHBondContact ND2-O 3.47Å; N105-A124 PolarHBondContact OD1-N 3.49Å; A124-T153 HydrophobicContact CB-CG2 4.27Å; A124-A154 CarbonylContact C-O 3.44Å; A124-A154 WeakPolarHBondContact CA-O 3.39Å; A124-V155 HydrophobicContact CB-CG2 4.11Å |
| 125 | A | 81.4 | Confident | 76.3 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 31% | 0.306 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 133.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | T153 A154 F156 | A125-T153 WeakPolarHBondContact O-CA 2.92Å; A125-A154 PolarHBondContact N-O 3.01Å; A125-A154 PolarHBondContact O-N 3.4Å; A125-F156 HydrophobicContact CB-CE2 4.21Å |
| 126 | T | 82.3 | Confident | 75.4 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 143 | 174.5 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | Q101 S139 P140 L151 M152 T153 | Q101-T126 PolarHBondContact OE1-OG1 3.04Å; T126-S139 WeakPolarHBondContact O-CA 3.4Å; T126-S139 PolarHBondContact O-N 3.11Å; T126-P140 HydrophobicContact CG2-CG 4.08Å; T126-P140 VanDerWaalsContact O-CD 3.3Å; T126-P140 WeakPolarHBondContact O-CD 3.23Å; T126-L151 HydrophobicContact CG2-CD1 3.49Å; T126-L151 VanDerWaalsContact CG2-CD1 3.49Å; T126-L151 HydrophobicContact CG2-CD2 4.47Å; T126-L151 HydrophobicContact CG2-CG 3.86Å; T126-M152 CarbonylContact C-O 3.42Å; T126-M152 VanDerWaalsContact CA-O 3.3Å; T126-M152 WeakPolarHBondContact CA-O 3.46Å; T126-T153 WeakPolarHBondContact CG2-OG1 3.29Å; T126-T153 WeakPolarHBondContact OG1-CG2 3.49Å; T126-T153 PolarHBondContact OG1-OG1 3.48Å |
| 127 | V | 79.9 | Confident | 74.7 | Confident | 43 Ų | 43 | 62.9 Ų | 62.9 | 26% | 0.261 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131.2 | -179.9 | -178 | 0 | 0 | 0 | 0 | 108.5 | I136 I137 M152 | V127-I136 HydrophobicContact CG1-CB 4.48Å; V127-I136 HydrophobicContact CG1-CG2 3.19Å; V127-I137 WeakPolarHBondContact CA-O 3.46Å; V127-M152 PolarHBondContact N-O 3.46Å; V127-M152 PolarHBondContact O-N 2.86Å |
| 128 | A | 76 | Confident | 74.1 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 141.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | I137 P140 V144 A148 C150 L151 | A128-I137 PolarHBondContact N-O 3.2Å; A128-I137 PolarHBondContact O-N 3.12Å; A128-P140 HydrophobicContact CB-CB 3.55Å; A128-P140 HydrophobicContact CB-CG 3.62Å; A128-V144 HydrophobicContact CB-CG1 3.77Å; A128-A148 HydrophobicContact CB-CB 3.74Å; A128-C150 WeakPolarHBondContact CA-O 3.23Å; A128-L151 HydrophobicContact CB-CD1 3.92Å |
| 129 | I | 70.9 | Confident | 73.3 | Confident | 64 Ų | 64 | 66 Ų | 66 | 33% | 0.328 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 119.3 | 170.8 | -54.9 | 177.5 | 0 | 0 | 0 | 107.6 | A148 E149 C150 | I129-A148 CarbonylContact O-C 3.54Å; I129-A148 WeakPolarHBondContact O-CA 3.4Å; I129-E149 PolarHBondContact O-N 3.46Å; I129-C150 HydrophobicContact CB-CB 4.3Å; I129-C150 HydrophobicContact CD1-CB 4.38Å; I129-C150 PolarHBondContact N-O 2.79Å; I129-C150 PolarHBondContact O-N 3.38Å |
| 130 | L | 68.4 | Low | 73.1 | Confident | 38 Ų | 38 | 59.5 Ų | 59.5 | 20% | 0.199 | 34% | 0.337 | C | S | . | . | trans | -88.1 | 140.3 | 178 | -72.5 | 172.3 | 0 | 0 | 0 | 111.1 | Q132 I137 V144 D147 | L130-Q132 PolarHBondContact O-N 2.65Å; L130-Q132 VanDerWaalsContact O-N 3.09Å; L130-I137 HydrophobicContact CD1-CD1 3.51Å; L130-I137 HydrophobicContact CG-CD1 4.17Å; L130-V144 HydrophobicContact CD1-CG1 4.28Å; L130-V144 HydrophobicContact CD2-CG1 4.1Å; L130-V144 HydrophobicContact CG-CG1 4.18Å; L130-D147 HydrophobicContact CD2-CB 3.86Å | ||
| 131 | P | 57.8 | Low | 72.8 | Confident | 77 Ų | 77 | 60.4 Ų | 60.4 | 50% | 0.5 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -19.5 | -169.4 | 21.2 | -31.9 | 0 | 0 | 0 | 115 | D147 E149 | P131-D147 WeakPolarHBondContact CD-O 3.29Å; P131-E149 HydrophobicContact CB-CB 4.25Å |
| 132 | Q | 58.6 | Low | 71.8 | Confident | 194 Ų | 194 | 59.1 Ų | 59.1 | 91% | 0.907 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -15.8 | -170.7 | -68 | 176.3 | 0.4 | 0 | 0 | 114.5 | L130 | L130-Q132 PolarHBondContact O-N 2.65Å; L130-Q132 VanDerWaalsContact O-N 3.09Å |
| 133 | S | 60.3 | Low | 70.8 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 36% | 0.357 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127 | -2.8 | -167.5 | 69.4 | 0 | 0 | 0 | 0 | 115.2 | N135 | S133-N135 WeakPolarHBondContact CB-ND2 3.3Å; S133-N135 PolarHBondContact O-N 3.2Å; S133-N135 PolarHBondContact O-OD1 3.16Å; S133-N135 VanDerWaalsContact OG-CB 3.26Å; S133-N135 WeakPolarHBondContact OG-CB 3.45Å; S133-N135 PolarHBondContact OG-N 3.22Å; S133-N135 PolarHBondContact OG-ND2 2.99Å; S133-N135 VanDerWaalsContact OG-ND2 3.15Å |
| 134 | E | 58.4 | Low | 70.1 | Confident | 177 Ų | 177 | 63.9 Ų | 63.9 | 83% | 0.827 | 36% | 0.355 | S | S | * | . | trans | 47.9 | 16.1 | -168.6 | -65.3 | -172.8 | 163.4 | 0 | 0 | 113.3 | I136 | E134-I136 PolarHBondContact O-N 3.12Š| ||
| 135 | N | 67.5 | Low | 69 | Low | 97 Ų | 97 | 64.6 Ų | 64.6 | 52% | 0.519 | 36% | 0.357 | S | S | . | . | trans | -79 | 118.7 | -175.5 | -76 | -31.3 | 0 | 0 | 0 | 107.9 | S133 I137 | S133-N135 WeakPolarHBondContact CB-ND2 3.3Å; S133-N135 PolarHBondContact O-N 3.2Å; S133-N135 PolarHBondContact O-OD1 3.16Å; S133-N135 VanDerWaalsContact OG-CB 3.26Å; S133-N135 WeakPolarHBondContact OG-CB 3.45Å; S133-N135 PolarHBondContact OG-N 3.22Å; S133-N135 PolarHBondContact OG-ND2 2.99Å; S133-N135 VanDerWaalsContact OG-ND2 3.15Å; N135-I137 PolarHBondContact O-N 2.84Å | ||
| 136 | I | 68.8 | Low | 68.2 | Low | 118 Ų | 118 | 71 Ų | 71 | 61% | 0.605 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 108.2 | 171.9 | -60.1 | -178.4 | 0 | 0 | 0 | 107.1 | V127 E134 P138 | V127-I136 HydrophobicContact CG1-CB 4.48Å; V127-I136 HydrophobicContact CG1-CG2 3.19Å; E134-I136 PolarHBondContact O-N 3.12Å; I136-P138 VanDerWaalsContact O-CD 3.27Å; I136-P138 WeakPolarHBondContact O-CD 3.2Å |
| 137 | I | 73.7 | Confident | 67.4 | Low | 49 Ų | 49 | 75.4 Ų | 75.4 | 25% | 0.251 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 106.7 | 179.1 | -61.4 | 173.2 | 0 | 0 | 0 | 108.6 | V127 A128 L130 N135 P140 V144 | V127-I137 WeakPolarHBondContact CA-O 3.46Å; A128-I137 PolarHBondContact N-O 3.2Å; A128-I137 PolarHBondContact O-N 3.12Å; L130-I137 HydrophobicContact CD1-CD1 3.51Å; L130-I137 HydrophobicContact CG-CD1 4.17Å; N135-I137 PolarHBondContact O-N 2.84Å; I137-P140 HydrophobicContact CG2-CB 4.16Å; I137-V144 HydrophobicContact CB-CG1 4.32Å; I137-V144 HydrophobicContact CD1-CG1 3.6Å; I137-V144 HydrophobicContact CD1-CG2 4.28Å; I137-V144 HydrophobicContact CG2-CG1 4.38Å |
| 138 | P | 70.9 | Confident | 66.7 | Low | 97 Ų | 97 | 74.2 Ų | 74.2 | 63% | 0.63 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 139.8 | 171.8 | 30.1 | -33 | 0 | 0 | 0 | 110.3 | I136 | I136-P138 VanDerWaalsContact O-CD 3.27Å; I136-P138 WeakPolarHBondContact O-CD 3.2Å |
| 139 | S | 71.2 | Confident | 66.1 | Low | 53 Ų | 53 | 81 Ų | 81 | 37% | 0.371 | 42% | 0.424 | S | S | . | . | S | Bend | trans | 50.2 | 60.1 | -174.9 | -61.9 | 0 | 0 | 0 | 0 | 113.4 | Q19 T126 | Q19-S139 PolarHBondContact NE2-OG 3.3Å; T126-S139 WeakPolarHBondContact O-CA 3.4Å; T126-S139 PolarHBondContact O-N 3.11Å |
| 140 | P | 71.9 | Confident | 65.7 | Low | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.006 | 43% | 0.425 | C | S | . | . | trans | -63.8 | 150.6 | -175.8 | 29.2 | -36.8 | 0 | 0 | 0 | 113 | T126 A128 I137 V144 E145 L151 | T126-P140 HydrophobicContact CG2-CG 4.08Å; T126-P140 VanDerWaalsContact O-CD 3.3Å; T126-P140 WeakPolarHBondContact O-CD 3.23Å; A128-P140 HydrophobicContact CB-CB 3.55Å; A128-P140 HydrophobicContact CB-CG 3.62Å; I137-P140 HydrophobicContact CG2-CB 4.16Å; P140-V144 HydrophobicContact CB-CB 3.92Å; P140-V144 HydrophobicContact CB-CG1 3.59Å; P140-E145 HydrophobicContact CB-CG 4.03Å; P140-E145 HydrophobicContact CG-CG 3.73Å; P140-L151 HydrophobicContact CG-CD1 3.77Å | ||
| 141 | S | 68.5 | Low | 65.7 | Low | 50 Ų | 50 | 79.1 Ų | 79.1 | 35% | 0.35 | 42% | 0.418 | S | S | . | . | trans | -79.4 | 162.4 | 169.4 | 70.2 | 0 | 0 | 0 | 0 | 111.2 | Q143 V144 E145 | S141-Q143 PolarHBondContact O-N 2.77Å; S141-V144 CarbonylContact O-C 3.56Å; S141-V144 WeakPolarHBondContact O-CA 3.26Å; S141-V144 WeakPolarHBondContact O-CB 3.34Å; S141-V144 PolarHBondContact O-N 2.91Å; S141-E145 PolarHBondContact O-N 3Å | ||
| 142 | S | 63 | Low | 66.4 | Low | 28 Ų | 28 | 79.9 Ų | 79.9 | 20% | 0.196 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -54.5 | -31.6 | -177.1 | 24.3 | 0 | 0 | 0 | 0 | 114.4 | D96 R146 | D96-S142 VanDerWaalsContact CA-OG 3.27Å; D96-S142 WeakPolarHBondContact CA-OG 3.23Å; D96-S142 WeakPolarHBondContact O-CA 3.48Å; D96-S142 WeakPolarHBondContact O-CB 3.41Å; D96-S142 PolarHBondContact O-N 3.22Å; D96-S142 PolarHBondContact O-OG 3.37Å; S142-R146 WeakPolarHBondContact O-CB 3.49Å; S142-R146 WeakPolarHBondContact O-CG 3.44Å; S142-R146 PolarHBondContact O-N 2.84Å; S142-R146 VanDerWaalsContact O-N 3.15Å; S142-R146 PolarHBondContact O-NE 2.98Å |
| 143 | Q | 65.1 | Low | 67.1 | Low | 131 Ų | 131 | 70.9 Ų | 70.9 | 61% | 0.612 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -71.7 | -48.2 | 177.1 | -166.3 | 151.8 | 1.1 | 0 | 0 | 109 | S141 E145 R146 D147 | S141-Q143 PolarHBondContact O-N 2.77Å; Q143-E145 VanDerWaalsContact C-N 3.35Å; Q143-E145 PolarHBondContact O-N 2.76Å; Q143-R146 PolarHBondContact O-N 3.27Å; Q143-R146 VanDerWaalsContact O-N 3.13Å; Q143-D147 WeakPolarHBondContact O-CB 3.31Å; Q143-D147 PolarHBondContact O-N 2.83Å |
| 144 | V | 70.6 | Confident | 67.9 | Low | 28 Ų | 28 | 69 Ų | 69 | 17% | 0.17 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 173 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | A128 L130 I137 P140 S141 R146 D147 A148 | A128-V144 HydrophobicContact CB-CG1 3.77Å; L130-V144 HydrophobicContact CD1-CG1 4.28Å; L130-V144 HydrophobicContact CD2-CG1 4.1Å; L130-V144 HydrophobicContact CG-CG1 4.18Å; I137-V144 HydrophobicContact CB-CG1 4.32Å; I137-V144 HydrophobicContact CD1-CG1 3.6Å; I137-V144 HydrophobicContact CD1-CG2 4.28Å; I137-V144 HydrophobicContact CG2-CG1 4.38Å; P140-V144 HydrophobicContact CB-CB 3.92Å; P140-V144 HydrophobicContact CB-CG1 3.59Å; S141-V144 CarbonylContact O-C 3.56Å; S141-V144 WeakPolarHBondContact O-CA 3.26Å; S141-V144 WeakPolarHBondContact O-CB 3.34Å; S141-V144 PolarHBondContact O-N 2.91Å; V144-R146 VanDerWaalsContact C-N 3.3Å; V144-R146 PolarHBondContact O-N 3.32Å; V144-D147 CarbonylContact O-C 3.55Å; V144-D147 PolarHBondContact O-N 2.92Å; V144-A148 WeakPolarHBondContact O-CA 3.4Å; V144-A148 WeakPolarHBondContact O-CB 3.36Å; V144-A148 PolarHBondContact O-N 2.92Å |
| 145 | E | 64.9 | Low | 68.8 | Low | 21 Ų | 21 | 60.9 Ų | 60.9 | 10% | 0.098 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.2 | -30.2 | 177.2 | -66.6 | -168.3 | 156.4 | 0 | 0 | 113.8 | S98 P140 S141 Q143 L151 R170 | S98-E145 WeakPolarHBondContact CA-OE1 3.41Å; P140-E145 HydrophobicContact CB-CG 4.03Å; P140-E145 HydrophobicContact CG-CG 3.73Å; S141-E145 PolarHBondContact O-N 3Å; Q143-E145 VanDerWaalsContact C-N 3.35Å; Q143-E145 PolarHBondContact O-N 2.76Å; E145-L151 HydrophobicContact CB-CD1 4.18Å; E145-L151 HydrophobicContact CB-CD2 4.17Å; E145-L151 HydrophobicContact CG-CD1 3.7Å; E145-L151 HydrophobicContact CG-CD2 4.12Å; E145-R170 PolarHBondContact O-NH1 3.28Å |
| 146 | R | 63.1 | Low | 69.3 | Low | 171 Ų | 171 | 60.5 Ų | 60.5 | 65% | 0.645 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -76 | -36 | 175.2 | -84.5 | -175.9 | -80.8 | -174.5 | -4.7 | 112 | S142 Q143 V144 | S142-R146 WeakPolarHBondContact O-CB 3.49Å; S142-R146 WeakPolarHBondContact O-CG 3.44Å; S142-R146 PolarHBondContact O-N 2.84Å; S142-R146 VanDerWaalsContact O-N 3.15Å; S142-R146 PolarHBondContact O-NE 2.98Å; Q143-R146 PolarHBondContact O-N 3.27Å; Q143-R146 VanDerWaalsContact O-N 3.13Å; V144-R146 VanDerWaalsContact C-N 3.3Å; V144-R146 PolarHBondContact O-N 3.32Å |
| 147 | D | 65.8 | Low | 69.4 | Low | 95 Ų | 95 | 56.6 Ų | 56.6 | 51% | 0.508 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -88.5 | -10.5 | -178.7 | -58.1 | -23.6 | 0 | 0 | 0 | 112 | L130 P131 Q143 V144 E149 | L130-D147 HydrophobicContact CD2-CB 3.86Å; P131-D147 WeakPolarHBondContact CD-O 3.29Å; Q143-D147 WeakPolarHBondContact O-CB 3.31Å; Q143-D147 PolarHBondContact O-N 2.83Å; V144-D147 CarbonylContact O-C 3.55Å; V144-D147 PolarHBondContact O-N 2.92Å; D147-E149 PolarHBondContact O-N 3.06Å |
| 148 | A | 65.6 | Low | 69 | Low | 18 Ų | 18 | 61 Ų | 61 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | trans | -67.2 | 128.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | A128 I129 V144 C150 | A128-A148 HydrophobicContact CB-CB 3.74Å; I129-A148 CarbonylContact O-C 3.54Å; I129-A148 WeakPolarHBondContact O-CA 3.4Å; V144-A148 WeakPolarHBondContact O-CA 3.4Å; V144-A148 WeakPolarHBondContact O-CB 3.36Å; V144-A148 PolarHBondContact O-N 2.92Å; A148-C150 VanDerWaalsContact C-N 3.33Å | ||
| 149 | E | 63.8 | Low | 68.4 | Low | 143 Ų | 143 | 63.2 Ų | 63.2 | 67% | 0.668 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -67.8 | -40 | 169.9 | -174.1 | 176.6 | -171.8 | 0 | 0 | 110.2 | I129 P131 D147 | I129-E149 PolarHBondContact O-N 3.46Å; P131-E149 HydrophobicContact CB-CB 4.25Å; D147-E149 PolarHBondContact O-N 3.06Å |
| 150 | C | 61.7 | Low | 67.2 | Low | 53 Ų | 53 | 67.1 Ų | 67.1 | 36% | 0.358 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 130.2 | 175.4 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | A128 I129 A148 | A128-C150 WeakPolarHBondContact CA-O 3.23Å; I129-C150 HydrophobicContact CB-CB 4.3Å; I129-C150 HydrophobicContact CD1-CB 4.38Å; I129-C150 PolarHBondContact N-O 2.79Å; I129-C150 PolarHBondContact O-N 3.38Å; A148-C150 VanDerWaalsContact C-N 3.33Å |
| 151 | L | 69 | Low | 65.9 | Low | 10 Ų | 10 | 73.8 Ų | 73.8 | 5% | 0.052 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121.2 | 173.4 | -173.3 | 73.3 | 0 | 0 | 0 | 108.2 | T126 A128 P140 E145 W168 S169 R170 | T126-L151 HydrophobicContact CG2-CD1 3.49Å; T126-L151 VanDerWaalsContact CG2-CD1 3.49Å; T126-L151 HydrophobicContact CG2-CD2 4.47Å; T126-L151 HydrophobicContact CG2-CG 3.86Å; A128-L151 HydrophobicContact CB-CD1 3.92Å; P140-L151 HydrophobicContact CG-CD1 3.77Å; E145-L151 HydrophobicContact CB-CD1 4.18Å; E145-L151 HydrophobicContact CB-CD2 4.17Å; E145-L151 HydrophobicContact CG-CD1 3.7Å; E145-L151 HydrophobicContact CG-CD2 4.12Å; L151-W168 HydrophobicContact CD2-CZ3 4.25Å; L151-S169 VanDerWaalsContact O-CA 3.26Å; L151-S169 WeakPolarHBondContact O-CA 3.37Å; L151-R170 HydrophobicContact CB-CB 4.24Å; L151-R170 PolarHBondContact O-N 2.91Å |
| 152 | M | 71.5 | Confident | 65.1 | Low | 93 Ų | 93 | 74.3 Ų | 74.3 | 46% | 0.458 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 118.3 | -174.5 | -168.3 | -176.9 | -153.5 | 0 | 0 | 110 | T126 V127 C167 W168 | T126-M152 CarbonylContact C-O 3.42Å; T126-M152 VanDerWaalsContact CA-O 3.3Å; T126-M152 WeakPolarHBondContact CA-O 3.46Å; V127-M152 PolarHBondContact N-O 3.46Å; V127-M152 PolarHBondContact O-N 2.86Å; M152-C167 HydrophobicContact CE-CB 4.42Å; M152-C167 WeakPolarHBondContact CE-SG 3.35Å; M152-C167 WeakPolarHBondContact CG-SG 3.4Å; M152-W168 CarbonylContact C-O 3.52Å; M152-W168 VanDerWaalsContact CA-O 3.32Å; M152-W168 WeakPolarHBondContact CA-O 3.46Å |
| 153 | T | 74.5 | Confident | 64.7 | Low | 4 Ų | 4 | 77.3 Ų | 77.3 | 3% | 0.025 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 111.4 | 172.6 | -56.2 | 0 | 0 | 0 | 0 | 109.2 | L100 A124 A125 T126 C167 W168 | L100-T153 HydrophobicContact CD2-CG2 4.01Å; L100-T153 HydrophobicContact CG-CG2 4.22Å; A124-T153 HydrophobicContact CB-CG2 4.27Å; A125-T153 WeakPolarHBondContact O-CA 2.92Å; T126-T153 WeakPolarHBondContact CG2-OG1 3.29Å; T126-T153 WeakPolarHBondContact OG1-CG2 3.49Å; T126-T153 PolarHBondContact OG1-OG1 3.48Å; T153-C167 CarbonylContact O-C 3.37Å; T153-C167 WeakPolarHBondContact O-CA 3.49Å; T153-W168 PolarHBondContact N-O 3.19Å; T153-W168 PolarHBondContact O-N 3.14Å |
| 154 | A | 76.4 | Confident | 64.2 | Low | 13 Ų | 13 | 75.3 Ų | 75.3 | 11% | 0.107 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 136.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A124 A125 F156 L164 Y166 | A124-A154 CarbonylContact C-O 3.44Å; A124-A154 WeakPolarHBondContact CA-O 3.39Å; A125-A154 PolarHBondContact N-O 3.01Å; A125-A154 PolarHBondContact O-N 3.4Å; A154-F156 HydrophobicContact CB-CE2 3.66Å; A154-F156 HydrophobicContact CB-CZ 3.66Å; A154-L164 HydrophobicContact CB-CD1 3.41Å; A154-L164 VanDerWaalsContact CB-CD1 3.41Å; A154-Y166 CarbonylContact C-O 3.52Å; A154-Y166 WeakPolarHBondContact CA-O 3.34Å |
| 155 | V | 77.2 | Confident | 63.5 | Low | 6 Ų | 6 | 76.5 Ų | 76.5 | 4% | 0.036 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129.5 | 174 | -170.6 | 0 | 0 | 0 | 0 | 108.7 | L71 V104 F122 A123 A124 F165 Y166 | L71-V155 HydrophobicContact CD1-CB 4.45Å; L71-V155 HydrophobicContact CD1-CG1 3.71Å; L71-V155 HydrophobicContact CD2-CG1 4.44Å; V104-V155 HydrophobicContact CG1-CG1 4.25Å; F122-V155 HydrophobicContact CB-CG1 4.18Å; A123-V155 CarbonylContact O-C 3.57Å; A123-V155 WeakPolarHBondContact O-CA 3.41Å; A124-V155 HydrophobicContact CB-CG2 4.11Å; V155-F165 WeakPolarHBondContact O-CB 3.46Å; V155-F165 PolarHBondContact O-N 3.36Å; V155-Y166 PolarHBondContact N-O 3.16Å; V155-Y166 PolarHBondContact O-N 3.27Å |
| 156 | F | 77.5 | Confident | 63.3 | Low | 88 Ų | 88 | 79.9 Ų | 79.9 | 39% | 0.386 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 141.4 | -175.8 | -57.1 | -85.9 | 0 | 0 | 0 | 110 | F122 A123 A125 A154 L164 | F122-F156 CarbonylContact C-O 3.55Å; F122-F156 VanDerWaalsContact CA-O 3.24Å; F122-F156 WeakPolarHBondContact CA-O 3.45Å; A123-F156 PolarHBondContact N-O 3.13Å; A123-F156 PolarHBondContact O-N 2.97Å; A125-F156 HydrophobicContact CB-CE2 4.21Å; A154-F156 HydrophobicContact CB-CE2 3.66Å; A154-F156 HydrophobicContact CB-CZ 3.66Å; F156-L164 HydrophobicContact CE1-CD1 4.08Å; F156-L164 HydrophobicContact CZ-CD1 4.29Å |
| 157 | L | 72.5 | Confident | 63.1 | Low | 36 Ų | 36 | 74.1 Ų | 74.1 | 19% | 0.188 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 154 | 170.7 | -68.7 | 170.6 | 0 | 0 | 0 | 110.5 | D120 F122 H159 F165 | D120-L157 HydrophobicContact CB-CD2 3.91Å; F122-L157 HydrophobicContact CB-CD2 3.94Å; L157-H159 VanDerWaalsContact C-N 3.3Å; L157-H159 PolarHBondContact O-N 2.98Å; L157-F165 HydrophobicContact CD1-CB 3.86Å; L157-F165 HydrophobicContact CD1-CD1 4.49Å; L157-F165 HydrophobicContact CD1-CD2 3.18Å; L157-F165 HydrophobicContact CD1-CE2 3.76Å; L157-F165 HydrophobicContact CD1-CG 3.6Å; L157-F165 HydrophobicContact CD2-CG 4.49Å; L157-F165 HydrophobicContact CG-CB 3.75Å; L157-F165 HydrophobicContact CG-CD2 3.97Å; L157-F165 HydrophobicContact CG-CG 3.84Å |
| 158 | H | 65.1 | Low | 62.6 | Low | 143 Ų | 143 | 72.3 Ų | 72.3 | 66% | 0.662 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -19.5 | -174.2 | -170.5 | 20.3 | 0 | 0 | 0 | 114.1 | T121 Q160 | T121-H158 PolarHBondContact O-N 3.4Å; H158-Q160 VanDerWaalsContact C-N 3.29Å; H158-Q160 PolarHBondContact O-N 2.92Å |
| 159 | H | 57.8 | Low | 62.2 | Low | 143 Ų | 143 | 74.1 Ų | 74.1 | 66% | 0.662 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -30.6 | -163.9 | -122.8 | -39.5 | 0 | 0 | 0 | 115.5 | D120 L157 | D120-H159 IonicContact OD2-CD2 3.93Å; D120-H159 PolarHBondContact OD2-CD2 2.92Å; D120-H159 IonicContact OD2-CG 2.77Å; L157-H159 VanDerWaalsContact C-N 3.3Å; L157-H159 PolarHBondContact O-N 2.98Å |
| 160 | Q | 45.9 | Very low | 61.4 | Low | 134 Ų | 134 | 73.8 Ų | 73.8 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -151.3 | 149.5 | 164.7 | -70.3 | -157.8 | -7.8 | 0 | 0 | 112.8 | H158 G162 D163 | H158-Q160 VanDerWaalsContact C-N 3.29Å; H158-Q160 PolarHBondContact O-N 2.92Å; Q160-G162 PolarHBondContact O-N 2.83Å; Q160-D163 PolarHBondContact O-N 2.79Å |
| 161 | P | 45.3 | Very low | 60.8 | Low | 141 Ų | 141 | 77.1 Ų | 77.1 | 92% | 0.916 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 103.5 | 171.2 | 0.6 | 11.1 | 0 | 0 | 0 | 109.9 | ||
| 162 | G | 51.3 | Low | 60.1 | Low | 61 Ų | 61 | 79.8 Ų | 79.8 | 63% | 0.629 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 138.1 | -17.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q160 L164 | Q160-G162 PolarHBondContact O-N 2.83Å; G162-L164 PolarHBondContact O-N 2.85Å |
| 163 | D | 54.4 | Low | 59.7 | Low | 91 Ų | 91 | 78.1 Ų | 78.1 | 49% | 0.487 | 42% | 0.421 | S | S | . | . | trans | -78.1 | 92.1 | -176.3 | -71.3 | -22.5 | 0 | 0 | 0 | 111.5 | Q160 F165 | Q160-D163 PolarHBondContact O-N 2.79Å; D163-F165 PolarHBondContact O-N 2.82Å; D163-F165 VanDerWaalsContact O-N 3.15Å | ||
| 164 | L | 55.2 | Low | 59.6 | Low | 90 Ų | 90 | 79.2 Ų | 79.2 | 47% | 0.471 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 103.3 | 168.5 | -179.1 | 74.5 | 0 | 0 | 0 | 109 | A154 F156 G162 C167 | A154-L164 HydrophobicContact CB-CD1 3.41Å; A154-L164 VanDerWaalsContact CB-CD1 3.41Å; F156-L164 HydrophobicContact CE1-CD1 4.08Å; F156-L164 HydrophobicContact CZ-CD1 4.29Å; G162-L164 PolarHBondContact O-N 2.85Å; L164-C167 HydrophobicContact CD2-CB 4.15Å |
| 165 | F | 56 | Low | 59.4 | Low | 52 Ų | 52 | 82 Ų | 82 | 23% | 0.228 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | -41.2 | -179.7 | -179.2 | -108.1 | 0 | 0 | 0 | 112.6 | L71 V155 L157 D163 | L71-F165 HydrophobicContact CD1-CD1 3.79Å; L71-F165 HydrophobicContact CD1-CE1 3.8Å; V155-F165 WeakPolarHBondContact O-CB 3.46Å; V155-F165 PolarHBondContact O-N 3.36Å; L157-F165 HydrophobicContact CD1-CB 3.86Å; L157-F165 HydrophobicContact CD1-CD1 4.49Å; L157-F165 HydrophobicContact CD1-CD2 3.18Å; L157-F165 HydrophobicContact CD1-CE2 3.76Å; L157-F165 HydrophobicContact CD1-CG 3.6Å; L157-F165 HydrophobicContact CD2-CG 4.49Å; L157-F165 HydrophobicContact CG-CB 3.75Å; L157-F165 HydrophobicContact CG-CD2 3.97Å; L157-F165 HydrophobicContact CG-CG 3.84Å; D163-F165 PolarHBondContact O-N 2.82Å; D163-F165 VanDerWaalsContact O-N 3.15Å |
| 166 | Y | 59.2 | Low | 59.7 | Low | 93 Ų | 93 | 85.7 Ų | 85.7 | 37% | 0.365 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 139 | -176.3 | -142.8 | -101.4 | 0 | 0 | 0 | 111.2 | A154 V155 | A154-Y166 CarbonylContact C-O 3.52Å; A154-Y166 WeakPolarHBondContact CA-O 3.34Å; V155-Y166 PolarHBondContact N-O 3.16Å; V155-Y166 PolarHBondContact O-N 3.27Å |
| 167 | C | 58.5 | Low | 60.1 | Low | 50 Ų | 50 | 82.3 Ų | 82.3 | 34% | 0.338 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 126.5 | 175.2 | -171.5 | 0 | 0 | 0 | 0 | 110.8 | M152 T153 L164 | M152-C167 HydrophobicContact CE-CB 4.42Å; M152-C167 WeakPolarHBondContact CE-SG 3.35Å; M152-C167 WeakPolarHBondContact CG-SG 3.4Å; T153-C167 CarbonylContact O-C 3.37Å; T153-C167 WeakPolarHBondContact O-CA 3.49Å; L164-C167 HydrophobicContact CD2-CB 4.15Å |
| 168 | W | 56.1 | Low | 60.8 | Low | 57 Ų | 57 | 83 Ų | 83 | 22% | 0.216 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128.5 | 176.7 | 179.8 | 78.2 | 0 | 0 | 0 | 110.1 | I67 L100 L151 M152 T153 R170 | I67-W168 HydrophobicContact CD1-CG 4.29Å; L100-W168 HydrophobicContact CD2-CD2 4.08Å; L100-W168 HydrophobicContact CD2-CE3 3.81Å; L100-W168 HydrophobicContact CD2-CG 4.41Å; L100-W168 HydrophobicContact CD2-CZ3 4.37Å; L151-W168 HydrophobicContact CD2-CZ3 4.25Å; M152-W168 CarbonylContact C-O 3.52Å; M152-W168 VanDerWaalsContact CA-O 3.32Å; M152-W168 WeakPolarHBondContact CA-O 3.46Å; T153-W168 PolarHBondContact N-O 3.19Å; T153-W168 PolarHBondContact O-N 3.14Å; W168-R170 HydrophobicContact CH2-CB 3.96Å; W168-R170 HydrophobicContact CH2-CG 3.93Å; W168-R170 HydrophobicContact CZ3-CB 4.32Å |
| 169 | S | 57.4 | Low | 62 | Low | 56 Ų | 56 | 76.4 Ų | 76.4 | 39% | 0.392 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 149.9 | 166.3 | 90.1 | 0 | 0 | 0 | 0 | 111.3 | L151 E171 | L151-S169 VanDerWaalsContact O-CA 3.26Å; L151-S169 WeakPolarHBondContact O-CA 3.37Å; S169-E171 PolarHBondContact O-N 2.93Å |
| 170 | R | 47.9 | Very low | 63.2 | Low | 136 Ų | 136 | 75.1 Ų | 75.1 | 51% | 0.513 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -67.8 | -19.3 | -174.9 | -162.6 | 176.5 | -173.6 | -174.8 | 2.7 | 114 | E145 L151 W168 A172 | E145-R170 PolarHBondContact O-NH1 3.28Å; L151-R170 HydrophobicContact CB-CB 4.24Å; L151-R170 PolarHBondContact O-N 2.91Å; W168-R170 HydrophobicContact CH2-CB 3.96Å; W168-R170 HydrophobicContact CH2-CG 3.93Å; W168-R170 HydrophobicContact CZ3-CB 4.32Å; R170-A172 VanDerWaalsContact C-N 3.3Å; R170-A172 PolarHBondContact O-N 3.21Å |
| 171 | E | 49.1 | Very low | 65 | Low | 123 Ų | 123 | 71.1 Ų | 71.1 | 58% | 0.575 | 41% | 0.406 | S | S | * | . | trans | -76.6 | 84.6 | 171.2 | -71.5 | -160.5 | 153.3 | 0 | 0 | 110.1 | S169 A173 F181 | S169-E171 PolarHBondContact O-N 2.93Å; E171-A173 PolarHBondContact O-N 2.94Å; E171-A173 VanDerWaalsContact O-N 3.09Å; E171-F181 HydrophobicContact CB-CE2 4.34Å | ||
| 172 | A | 52.6 | Low | 67 | Low | 66 Ų | 66 | 64.4 Ų | 64.4 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | trans | -61.1 | 115.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | R170 | R170-A172 VanDerWaalsContact C-N 3.3Å; R170-A172 PolarHBondContact O-N 3.21Å | ||
| 173 | A | 64.8 | Low | 68.7 | Low | 57 Ų | 57 | 62.9 Ų | 62.9 | 47% | 0.471 | 34% | 0.339 | S | S | . | . | trans | -46.7 | 134.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | E171 W800 | E171-A173 PolarHBondContact O-N 2.94Å; E171-A173 VanDerWaalsContact O-N 3.09Å; A173-W800 HydrophobicContact CB-CH2 4.31Å; A173-W800 HydrophobicContact CB-CZ2 4.01Å | ||
| 174 | P | 70.6 | Confident | 69.8 | Low | 28 Ų | 28 | 64.3 Ų | 64.3 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | trans | -60.3 | 150 | -168.5 | 22.8 | -34.5 | 0 | 0 | 0 | 112.8 | T176 D178 F181 W800 | P174-T176 WeakPolarHBondContact CB-O 3.44Å; P174-T176 PolarHBondContact O-N 3.48Å; P174-D178 HydrophobicContact CB-CB 4.31Å; P174-D178 HydrophobicContact CG-CB 4.04Å; P174-F181 HydrophobicContact CG-CB 4.14Å; P174-F181 HydrophobicContact CG-CD1 3.95Å; P174-F181 HydrophobicContact CG-CG 3.93Å; P174-W800 HydrophobicContact CG-CH2 4.24Å; P174-W800 HydrophobicContact CG-CZ2 3.67Å; P174-W800 PolarHBondContact O-NE1 3.17Å | ||
| 175 | A | 73.6 | Confident | 70.9 | Confident | 72 Ų | 72 | 61.4 Ų | 61.4 | 60% | 0.595 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -60.4 | -33.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q801 | A175-Q801 PolarHBondContact O-NE2 3.35Š|
| 176 | T | 83 | Confident | 72.5 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -127.3 | 162.3 | 175.6 | 53.2 | 0 | 0 | 0 | 0 | 109.9 | P174 D178 | P174-T176 WeakPolarHBondContact CB-O 3.44Å; P174-T176 PolarHBondContact O-N 3.48Å; T176-D178 PolarHBondContact O-N 2.71Å |
| 177 | Y | 86.8 | Confident | 74 | Confident | 18 Ų | 18 | 57.4 Ų | 57.4 | 7% | 0.071 | 32% | 0.321 | C | S | . | . | trans | -53.8 | 123.6 | 176.3 | 171.3 | -107.5 | 0 | 0 | 0 | 111.2 | V182 C796 N797 W800 L913 | Y177-V182 HydrophobicContact CD2-CG2 4.02Å; Y177-V182 HydrophobicContact CE2-CB 4.09Å; Y177-V182 HydrophobicContact CE2-CG1 4.27Å; Y177-V182 HydrophobicContact CE2-CG2 3.8Å; Y177-C796 HydrophobicContact CD1-CB 3.57Å; Y177-C796 HydrophobicContact CD2-CB 4.22Å; Y177-C796 HydrophobicContact CE1-CB 3.47Å; Y177-C796 VanDerWaalsContact CE1-CB 3.47Å; Y177-C796 HydrophobicContact CE2-CB 4.13Å; Y177-C796 HydrophobicContact CG-CB 3.95Å; Y177-N797 PolarHBondContact N-OD1 2.93Å; Y177-W800 HydrophobicContact CD2-CE3 4.39Å; Y177-L913 HydrophobicContact CD2-CD1 4.14Å; Y177-L913 HydrophobicContact CE2-CD1 3.94Å; Y177-L913 HydrophobicContact CE2-CD2 4.29Å | ||
| 178 | D | 86.7 | Confident | 75.4 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 27% | 0.267 | 33% | 0.33 | S | S | . | . | trans | -121.4 | 116.2 | 170.6 | -175.6 | 1.9 | 0 | 0 | 0 | 109 | P174 T176 K180 F181 V182 R762 | P174-D178 HydrophobicContact CB-CB 4.31Å; P174-D178 HydrophobicContact CG-CB 4.04Å; T176-D178 PolarHBondContact O-N 2.71Å; D178-K180 VanDerWaalsContact C-N 3.27Å; D178-K180 PolarHBondContact O-N 2.72Å; D178-K180 PolarHBondContact OD1-N 2.92Å; D178-K180 VanDerWaalsContact OD1-N 3.09Å; D178-F181 HydrophobicContact CB-CB 4.09Å; D178-F181 PolarHBondContact O-N 3.25Å; D178-V182 WeakPolarHBondContact O-CG2 3.4Å; D178-V182 PolarHBondContact O-N 2.75Å; D178-V182 VanDerWaalsContact O-N 3.08Å; D178-R762 IonicContact OD1-CZ 2.81Å; D178-R762 IonicContact OD1-NH1 3.63Å; D178-R762 IonicContact OD1-NH2 3.53Å; D178-R762 PolarHBondContact OD1-NH2 2.57Å; D178-R762 IonicContact OD2-NH2 3.08Å | ||
| 179 | S | 89 | Confident | 76.9 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 4% | 0.035 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.6 | -29.7 | -178.1 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | Q183 | S179-Q183 VanDerWaalsContact O-CB 3.29Å; S179-Q183 WeakPolarHBondContact O-CB 3.42Å; S179-Q183 VanDerWaalsContact O-CG 3.27Å; S179-Q183 WeakPolarHBondContact O-CG 3.49Å; S179-Q183 PolarHBondContact O-N 3.45Å; S179-Q183 PolarHBondContact O-NE2 3.38Å |
| 180 | K | 84.4 | Confident | 78.5 | Confident | 115 Ų | 115 | 57.2 Ų | 57.2 | 50% | 0.5 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.8 | -44.9 | 177.4 | -87.5 | -170.8 | -171.8 | 175.1 | 0 | 111.1 | D178 Q183 N184 R762 | D178-K180 VanDerWaalsContact C-N 3.27Å; D178-K180 PolarHBondContact O-N 2.72Å; D178-K180 PolarHBondContact OD1-N 2.92Å; D178-K180 VanDerWaalsContact OD1-N 3.09Å; K180-Q183 PolarHBondContact O-N 2.76Å; K180-N184 WeakPolarHBondContact O-CB 3.06Å; K180-N184 PolarHBondContact O-N 2.92Å; K180-R762 VanDerWaalsContact CE-NH1 3.31Å |
| 181 | F | 83.4 | Confident | 80.5 | Confident | 51 Ų | 51 | 53.6 Ų | 53.6 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.6 | -53.3 | 174.5 | 178.1 | -92 | 0 | 0 | 0 | 110.6 | E171 P174 D178 Q183 N184 W800 | E171-F181 HydrophobicContact CB-CE2 4.34Å; P174-F181 HydrophobicContact CG-CB 4.14Å; P174-F181 HydrophobicContact CG-CD1 3.95Å; P174-F181 HydrophobicContact CG-CG 3.93Å; D178-F181 HydrophobicContact CB-CB 4.09Å; D178-F181 PolarHBondContact O-N 3.25Å; F181-Q183 VanDerWaalsContact C-N 3.29Å; F181-Q183 PolarHBondContact O-N 3.28Å; F181-N184 PolarHBondContact O-N 2.87Å; F181-W800 AromaticContact CD1-CH2 3.91Å; F181-W800 HydrophobicContact CD1-CH2 3.91Å; F181-W800 AromaticContact CE1-CH2 3.76Å; F181-W800 HydrophobicContact CE1-CH2 3.76Å |
| 182 | V | 86 | Confident | 82.3 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.5 | -23.7 | -175.5 | 174.2 | 0 | 0 | 0 | 0 | 113.6 | Y177 D178 W186 W800 L913 E916 | Y177-V182 HydrophobicContact CD2-CG2 4.02Å; Y177-V182 HydrophobicContact CE2-CB 4.09Å; Y177-V182 HydrophobicContact CE2-CG1 4.27Å; Y177-V182 HydrophobicContact CE2-CG2 3.8Å; D178-V182 WeakPolarHBondContact O-CG2 3.4Å; D178-V182 PolarHBondContact O-N 2.75Å; D178-V182 VanDerWaalsContact O-N 3.08Å; V182-W186 PolarHBondContact O-NE1 2.99Å; V182-W800 HydrophobicContact CG2-CE3 4.07Å; V182-W800 HydrophobicContact CG2-CH2 4.31Å; V182-W800 HydrophobicContact CG2-CZ3 3.6Å; V182-L913 HydrophobicContact CG1-CB 4.16Å; V182-L913 HydrophobicContact CG1-CD1 3.96Å; V182-L913 HydrophobicContact CG2-CD1 4.33Å; V182-E916 HydrophobicContact CG1-CB 3.99Å; V182-E916 HydrophobicContact CG1-CG 4.25Å; V182-E916 HydrophobicContact CG2-CG 4.32Å |
| 183 | Q | 87 | Confident | 83.9 | Confident | 29 Ų | 29 | 57.5 Ų | 57.5 | 14% | 0.136 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -92.8 | -14.1 | 179.3 | -74.1 | 163.3 | 33.8 | 0 | 0 | 113.3 | S179 K180 F181 G185 I755 Y912 | S179-Q183 VanDerWaalsContact O-CB 3.29Å; S179-Q183 WeakPolarHBondContact O-CB 3.42Å; S179-Q183 VanDerWaalsContact O-CG 3.27Å; S179-Q183 WeakPolarHBondContact O-CG 3.49Å; S179-Q183 PolarHBondContact O-N 3.45Å; S179-Q183 PolarHBondContact O-NE2 3.38Å; K180-Q183 PolarHBondContact O-N 2.76Å; F181-Q183 VanDerWaalsContact C-N 3.29Å; F181-Q183 PolarHBondContact O-N 3.28Å; Q183-G185 PolarHBondContact O-N 2.74Å; Q183-I755 VanDerWaalsContact OE1-CG2 3.31Å; Q183-Y912 HydrophobicContact CB-CD1 4.16Å; Q183-Y912 HydrophobicContact CB-CE1 4.33Å; Q183-Y912 HydrophobicContact CB-CG 4.48Å; Q183-Y912 HydrophobicContact CG-CD1 3.9Å; Q183-Y912 HydrophobicContact CG-CD2 3.98Å; Q183-Y912 HydrophobicContact CG-CE1 4.28Å; Q183-Y912 HydrophobicContact CG-CE2 4.34Å; Q183-Y912 HydrophobicContact CG-CG 3.73Å |
| 184 | N | 79.5 | Confident | 84.9 | Confident | 120 Ų | 120 | 57.3 Ų | 57.3 | 64% | 0.642 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 126.5 | -170.9 | -163.1 | 26.2 | 0 | 0 | 0 | 111.1 | K180 F181 W186 | K180-N184 WeakPolarHBondContact O-CB 3.06Å; K180-N184 PolarHBondContact O-N 2.92Å; F181-N184 PolarHBondContact O-N 2.87Å; N184-W186 PolarHBondContact O-N 3.09Å |
| 185 | G | 76.8 | Confident | 85.7 | Confident | 29 Ų | 29 | 57.4 Ų | 57.4 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | -20.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | Q183 Y187 D188 W189 | Q183-G185 PolarHBondContact O-N 2.74Å; G185-Y187 PolarHBondContact O-N 3.23Å; G185-D188 PolarHBondContact O-N 3.29Å; G185-W189 WeakPolarHBondContact O-CB 3.42Å; G185-W189 PolarHBondContact O-N 2.83Å |
| 186 | W | 90 | Very high | 86.3 | Confident | 49 Ų | 49 | 54.1 Ų | 54.1 | 19% | 0.186 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | -176.3 | -72.2 | 120.8 | 0 | 0 | 0 | 113.7 | V182 N184 W189 W190 Y912 E915 E916 | V182-W186 PolarHBondContact O-NE1 2.99Å; N184-W186 PolarHBondContact O-N 3.09Å; W186-W189 HydrophobicContact CE3-CD2 4.38Å; W186-W189 AromaticContact CE3-CE3 3.87Å; W186-W189 HydrophobicContact CE3-CE3 3.87Å; W186-W189 HydrophobicContact CE3-CZ3 4.37Å; W186-W189 HydrophobicContact CZ3-CD2 4.41Å; W186-W189 HydrophobicContact CZ3-CE3 4.08Å; W186-W189 HydrophobicContact CZ3-CZ3 4.31Å; W186-W189 PolarHBondContact O-N 2.96Å; W186-W190 HydrophobicContact CB-CH2 4.36Å; W186-W190 HydrophobicContact CB-CZ2 4.11Å; W186-W190 PolarHBondContact O-N 3.38Å; W186-Y912 HydrophobicContact CB-CD1 4.03Å; W186-Y912 HydrophobicContact CB-CE1 4.32Å; W186-E915 HydrophobicContact CD2-CG 4Å; W186-E915 HydrophobicContact CE3-CG 3.79Å; W186-E915 HydrophobicContact CZ3-CG 4.06Å; W186-E916 VanDerWaalsContact CZ2-OE2 3.25Å; W186-E916 WeakPolarHBondContact CZ2-OE2 3.2Å; W186-E916 PolarHBondContact NE1-OE2 3.09Å |
| 187 | Y | 91.2 | Very high | 86.2 | Confident | 13 Ų | 13 | 51.8 Ų | 51.8 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.2 | -43.6 | 179.9 | -161.3 | -91 | 0 | 0 | 0 | 111.8 | G185 W189 W190 L191 F196 E302 C306 W310 | G185-Y187 PolarHBondContact O-N 3.23Å; Y187-W189 VanDerWaalsContact C-N 3.27Å; Y187-W189 PolarHBondContact O-N 3.26Å; Y187-W190 AromaticContact CD2-CE3 3.66Å; Y187-W190 HydrophobicContact CD2-CE3 3.66Å; Y187-W190 AromaticContact CD2-CZ3 3.85Å; Y187-W190 HydrophobicContact CD2-CZ3 3.85Å; Y187-W190 HydrophobicContact CE2-CE3 4.38Å; Y187-W190 HydrophobicContact CG-CE3 4.27Å; Y187-W190 PolarHBondContact O-N 3.23Å; Y187-L191 HydrophobicContact CD1-CD1 3.88Å; Y187-L191 HydrophobicContact CD1-CG 4.03Å; Y187-L191 HydrophobicContact CE1-CD1 3.66Å; Y187-L191 HydrophobicContact CE1-CD2 4.1Å; Y187-L191 HydrophobicContact CE1-CG 3.81Å; Y187-L191 WeakPolarHBondContact O-CG 3.43Å; Y187-L191 PolarHBondContact O-N 3.36Å; Y187-F196 AromaticContact CE2-CE2 3.91Å; Y187-F196 HydrophobicContact CE2-CE2 3.91Å; Y187-F196 HydrophobicContact CE2-CZ 4.05Å; Y187-F196 AromaticContact CZ-CE2 3.91Å; Y187-E302 HydrophobicContact CD1-CB 3.95Å; Y187-E302 HydrophobicContact CD1-CG 4.22Å; Y187-E302 WeakPolarHBondContact CD2-O 3.44Å; Y187-E302 HydrophobicContact CE1-CB 3.58Å; Y187-E302 HydrophobicContact CE1-CG 3.43Å; Y187-E302 VanDerWaalsContact CE1-CG 3.43Å; Y187-C306 WeakPolarHBondContact CE2-O 3.36Å; Y187-C306 PolarHBondContact OH-O 2.95Å; Y187-W310 PolarHBondContact OH-NE1 3.43Å |
| 188 | D | 88.1 | Confident | 85.5 | Confident | 97 Ų | 97 | 53.6 Ų | 53.6 | 52% | 0.519 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.9 | -35.1 | 175.4 | -63.8 | -34.4 | 0 | 0 | 0 | 111.7 | G185 R192 | G185-D188 PolarHBondContact O-N 3.29Å; D188-R192 VanDerWaalsContact O-CB 3.32Å; D188-R192 WeakPolarHBondContact O-CB 3.49Å; D188-R192 VanDerWaalsContact O-CG 3.24Å; D188-R192 WeakPolarHBondContact O-CG 3.01Å; D188-R192 PolarHBondContact O-N 3.45Å; D188-R192 PolarHBondContact O-NE 2.87Å |
| 189 | W | 87.9 | Confident | 84.6 | Confident | 61 Ų | 61 | 55.2 Ų | 55.2 | 23% | 0.231 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.6 | -41.6 | 173.6 | -177.1 | 80.4 | 0 | 0 | 0 | 111.9 | G185 W186 Y187 L191 R192 N193 F195 V928 | G185-W189 WeakPolarHBondContact O-CB 3.42Å; G185-W189 PolarHBondContact O-N 2.83Å; W186-W189 HydrophobicContact CE3-CD2 4.38Å; W186-W189 AromaticContact CE3-CE3 3.87Å; W186-W189 HydrophobicContact CE3-CE3 3.87Å; W186-W189 HydrophobicContact CE3-CZ3 4.37Å; W186-W189 HydrophobicContact CZ3-CD2 4.41Å; W186-W189 HydrophobicContact CZ3-CE3 4.08Å; W186-W189 HydrophobicContact CZ3-CZ3 4.31Å; W186-W189 PolarHBondContact O-N 2.96Å; Y187-W189 VanDerWaalsContact C-N 3.27Å; Y187-W189 PolarHBondContact O-N 3.26Å; W189-L191 PolarHBondContact O-N 2.75Å; W189-R192 PolarHBondContact O-N 3Å; W189-N193 PolarHBondContact NE1-ND2 2.85Å; W189-N193 PolarHBondContact O-N 2.88Å; W189-N193 VanDerWaalsContact O-N 3.14Å; W189-N193 PolarHBondContact O-ND2 3.36Å; W189-F195 HydrophobicContact CD2-CE2 4.16Å; W189-F195 HydrophobicContact CE3-CD2 4.36Å; W189-F195 AromaticContact CE3-CE2 3.76Å; W189-F195 HydrophobicContact CE3-CE2 3.76Å; W189-F195 HydrophobicContact CH2-CD2 4.4Å; W189-F195 AromaticContact CH2-CE2 3.33Å; W189-F195 HydrophobicContact CH2-CE2 3.33Å; W189-F195 AromaticContact CH2-CZ 3.72Å; W189-F195 HydrophobicContact CH2-CZ 3.72Å; W189-F195 AromaticContact CZ2-CE2 3.74Å; W189-F195 HydrophobicContact CZ2-CE2 3.74Å; W189-F195 AromaticContact CZ2-CZ 3.94Å; W189-F195 HydrophobicContact CZ2-CZ 3.94Å; W189-F195 HydrophobicContact CZ3-CD2 4.05Å; W189-F195 AromaticContact CZ3-CE2 3.34Å; W189-F195 HydrophobicContact CZ3-CE2 3.34Å; W189-F195 HydrophobicContact CZ3-CZ 4.2Å; W189-V928 HydrophobicContact CH2-CG1 4Å; W189-V928 WeakPolarHBondContact CH2-O 3.39Å; W189-V928 HydrophobicContact CZ2-CG1 3.84Å |
| 190 | W | 90.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 175.5 | -62.8 | -32.8 | 0 | 0 | 0 | 112.8 | W186 Y187 D194 F195 F196 P911 Y912 E915 H931 | W186-W190 HydrophobicContact CB-CH2 4.36Å; W186-W190 HydrophobicContact CB-CZ2 4.11Å; W186-W190 PolarHBondContact O-N 3.38Å; Y187-W190 AromaticContact CD2-CE3 3.66Å; Y187-W190 HydrophobicContact CD2-CE3 3.66Å; Y187-W190 AromaticContact CD2-CZ3 3.85Å; Y187-W190 HydrophobicContact CD2-CZ3 3.85Å; Y187-W190 HydrophobicContact CE2-CE3 4.38Å; Y187-W190 HydrophobicContact CG-CE3 4.27Å; Y187-W190 PolarHBondContact O-N 3.23Å; W190-D194 PolarHBondContact O-N 2.9Å; W190-D194 VanDerWaalsContact O-N 3.14Å; W190-F195 HydrophobicContact CB-CD2 4.43Å; W190-F195 AromaticContact CD1-CD2 3.88Å; W190-F195 PolarHBondContact O-N 3.45Å; W190-F196 HydrophobicContact CB-CE1 3.91Å; W190-F196 HydrophobicContact CB-CE2 4.28Å; W190-F196 HydrophobicContact CB-CZ 3.65Å; W190-F196 HydrophobicContact CD2-CE1 4.3Å; W190-F196 HydrophobicContact CD2-CZ 4.09Å; W190-F196 HydrophobicContact CE3-CE1 4.26Å; W190-F196 AromaticContact CE3-CZ 3.7Å; W190-F196 HydrophobicContact CE3-CZ 3.7Å; W190-F196 HydrophobicContact CG-CE1 4.2Å; W190-F196 HydrophobicContact CG-CZ 4.13Å; W190-P911 HydrophobicContact CH2-CB 3.9Å; W190-Y912 AromaticContact CH2-CD1 3.68Å; W190-Y912 HydrophobicContact CH2-CD1 3.68Å; W190-Y912 AromaticContact CH2-CE1 3.84Å; W190-Y912 HydrophobicContact CH2-CE1 3.84Å; W190-Y912 HydrophobicContact CH2-CG 4.07Å; W190-Y912 HydrophobicContact CZ3-CD1 4.08Å; W190-Y912 AromaticContact CZ3-CE1 3.72Å; W190-Y912 HydrophobicContact CZ3-CE1 3.72Å; W190-Y912 AromaticContact CZ3-CZ 4Å; W190-E915 HydrophobicContact CZ2-CB 3.93Å; W190-E915 HydrophobicContact CZ2-CG 4.12Å; W190-E915 PolarHBondContact NE1-OE2 2.78Å; W190-H931 AromaticContact CE2-CD2 3.88Å; W190-H931 AromaticContact CE2-NE2 3.93Å; W190-H931 AromaticContact CZ2-NE2 3.58Å; W190-H931 AromaticContact NE1-CD2 3.79Å |
| 191 | L | 89.1 | Confident | 82.3 | Confident | 61 Ų | 61 | 58.6 Ų | 58.6 | 32% | 0.319 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67 | -46.1 | 176 | -70.9 | -176.3 | 0 | 0 | 0 | 112.1 | Y187 W189 N193 D194 F196 | Y187-L191 HydrophobicContact CD1-CD1 3.88Å; Y187-L191 HydrophobicContact CD1-CG 4.03Å; Y187-L191 HydrophobicContact CE1-CD1 3.66Å; Y187-L191 HydrophobicContact CE1-CD2 4.1Å; Y187-L191 HydrophobicContact CE1-CG 3.81Å; Y187-L191 WeakPolarHBondContact O-CG 3.43Å; Y187-L191 PolarHBondContact O-N 3.36Å; W189-L191 PolarHBondContact O-N 2.75Å; L191-N193 PolarHBondContact O-N 3.2Å; L191-D194 PolarHBondContact O-N 3.06Å; L191-D194 VanDerWaalsContact O-N 3.13Å; L191-F196 HydrophobicContact CD2-CD2 4.13Å; L191-F196 HydrophobicContact CD2-CE2 4.08Å |
| 192 | R | 87.3 | Confident | 81.4 | Confident | 190 Ų | 190 | 58.7 Ų | 58.7 | 72% | 0.717 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.2 | -33.3 | -179.9 | -80.4 | -177.9 | -72.1 | 172.8 | -3.9 | 113 | D188 W189 | D188-R192 VanDerWaalsContact O-CB 3.32Å; D188-R192 WeakPolarHBondContact O-CB 3.49Å; D188-R192 VanDerWaalsContact O-CG 3.24Å; D188-R192 WeakPolarHBondContact O-CG 3.01Å; D188-R192 PolarHBondContact O-N 3.45Å; D188-R192 PolarHBondContact O-NE 2.87Å; W189-R192 PolarHBondContact O-N 3Å |
| 193 | N | 86 | Confident | 80.5 | Confident | 81 Ų | 81 | 67.3 Ų | 67.3 | 43% | 0.433 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 3.4 | 179.1 | -65.6 | -82 | 0 | 0 | 0 | 113.7 | W189 L191 F195 | W189-N193 PolarHBondContact NE1-ND2 2.85Å; W189-N193 PolarHBondContact O-N 2.88Å; W189-N193 VanDerWaalsContact O-N 3.14Å; W189-N193 PolarHBondContact O-ND2 3.36Å; L191-N193 PolarHBondContact O-N 3.2Å; N193-F195 VanDerWaalsContact C-N 3.26Å; N193-F195 HydrophobicContact CB-CD1 4.28Å; N193-F195 HydrophobicContact CB-CD2 3.9Å; N193-F195 HydrophobicContact CB-CE1 3.88Å; N193-F195 HydrophobicContact CB-CE2 3.41Å; N193-F195 VanDerWaalsContact CB-CE2 3.41Å; N193-F195 HydrophobicContact CB-CG 4.29Å; N193-F195 HydrophobicContact CB-CZ 3.42Å; N193-F195 VanDerWaalsContact CB-CZ 3.42Å; N193-F195 PolarHBondContact O-N 2.94Å |
| 194 | D | 86.5 | Confident | 79.6 | Confident | 53 Ų | 53 | 71.2 Ų | 71.2 | 28% | 0.283 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 32.4 | 177.6 | -155.2 | 23.6 | 0 | 0 | 0 | 115.3 | W190 L191 F196 N197 K311 | W190-D194 PolarHBondContact O-N 2.9Å; W190-D194 VanDerWaalsContact O-N 3.14Å; L191-D194 PolarHBondContact O-N 3.06Å; L191-D194 VanDerWaalsContact O-N 3.13Å; D194-F196 PolarHBondContact O-N 2.73Å; D194-N197 CarbonylContact O-C 3.58Å; D194-N197 PolarHBondContact O-N 3.26Å; D194-N197 WeakPolarHBondContact OD1-CB 3.46Å; D194-N197 PolarHBondContact OD1-ND2 3.43Å; D194-K311 VanDerWaalsContact CG-NZ 3.35Å; D194-K311 IonicContact OD1-NZ 2.78Å; D194-K311 PolarHBondContact OD1-NZ 3.38Å; D194-K311 IonicContact OD2-NZ 3.82Å; D194-K311 PolarHBondContact OD2-NZ 3.26Å |
| 195 | F | 86.1 | Confident | 79.2 | Confident | 29 Ų | 29 | 73.2 Ų | 73.2 | 13% | 0.127 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -15.1 | -177.2 | -65.4 | -47.9 | 0 | 0 | 0 | 114.4 | W189 W190 N193 V928 C932 | W189-F195 HydrophobicContact CD2-CE2 4.16Å; W189-F195 HydrophobicContact CE3-CD2 4.36Å; W189-F195 AromaticContact CE3-CE2 3.76Å; W189-F195 HydrophobicContact CE3-CE2 3.76Å; W189-F195 HydrophobicContact CH2-CD2 4.4Å; W189-F195 AromaticContact CH2-CE2 3.33Å; W189-F195 HydrophobicContact CH2-CE2 3.33Å; W189-F195 AromaticContact CH2-CZ 3.72Å; W189-F195 HydrophobicContact CH2-CZ 3.72Å; W189-F195 AromaticContact CZ2-CE2 3.74Å; W189-F195 HydrophobicContact CZ2-CE2 3.74Å; W189-F195 AromaticContact CZ2-CZ 3.94Å; W189-F195 HydrophobicContact CZ2-CZ 3.94Å; W189-F195 HydrophobicContact CZ3-CD2 4.05Å; W189-F195 AromaticContact CZ3-CE2 3.34Å; W189-F195 HydrophobicContact CZ3-CE2 3.34Å; W189-F195 HydrophobicContact CZ3-CZ 4.2Å; W190-F195 HydrophobicContact CB-CD2 4.43Å; W190-F195 AromaticContact CD1-CD2 3.88Å; W190-F195 PolarHBondContact O-N 3.45Å; N193-F195 VanDerWaalsContact C-N 3.26Å; N193-F195 HydrophobicContact CB-CD1 4.28Å; N193-F195 HydrophobicContact CB-CD2 3.9Å; N193-F195 HydrophobicContact CB-CE1 3.88Å; N193-F195 HydrophobicContact CB-CE2 3.41Å; N193-F195 VanDerWaalsContact CB-CE2 3.41Å; N193-F195 HydrophobicContact CB-CG 4.29Å; N193-F195 HydrophobicContact CB-CZ 3.42Å; N193-F195 VanDerWaalsContact CB-CZ 3.42Å; N193-F195 PolarHBondContact O-N 2.94Å; F195-V928 HydrophobicContact CZ-CG1 4.23Å; F195-C932 WeakPolarHBondContact CD1-SG 3.48Å |
| 196 | F | 87.3 | Confident | 79.6 | Confident | 3 Ų | 3 | 72.8 Ų | 72.8 | 1% | 0.013 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -20.6 | 177.4 | -57.5 | -23.1 | 0 | 0 | 0 | 113 | Y187 W190 L191 D194 R239 | Y187-F196 AromaticContact CE2-CE2 3.91Å; Y187-F196 HydrophobicContact CE2-CE2 3.91Å; Y187-F196 HydrophobicContact CE2-CZ 4.05Å; Y187-F196 AromaticContact CZ-CE2 3.91Å; W190-F196 HydrophobicContact CB-CE1 3.91Å; W190-F196 HydrophobicContact CB-CE2 4.28Å; W190-F196 HydrophobicContact CB-CZ 3.65Å; W190-F196 HydrophobicContact CD2-CE1 4.3Å; W190-F196 HydrophobicContact CD2-CZ 4.09Å; W190-F196 HydrophobicContact CE3-CE1 4.26Å; W190-F196 AromaticContact CE3-CZ 3.7Å; W190-F196 HydrophobicContact CE3-CZ 3.7Å; W190-F196 HydrophobicContact CG-CE1 4.2Å; W190-F196 HydrophobicContact CG-CZ 4.13Å; L191-F196 HydrophobicContact CD2-CD2 4.13Å; L191-F196 HydrophobicContact CD2-CE2 4.08Å; D194-F196 PolarHBondContact O-N 2.73Å; F196-R239 PolarHBondContact O-NE 2.93Å; F196-R239 PolarHBondContact O-NH2 3.06Å |
| 197 | N | 81.3 | Confident | 79.6 | Confident | 33 Ų | 33 | 71.3 Ų | 71.3 | 18% | 0.176 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -128.1 | 52.2 | -176.9 | -45.2 | -70.8 | 0 | 0 | 0 | 112.4 | D194 N309 | D194-N197 CarbonylContact O-C 3.58Å; D194-N197 PolarHBondContact O-N 3.26Å; D194-N197 WeakPolarHBondContact OD1-CB 3.46Å; D194-N197 PolarHBondContact OD1-ND2 3.43Å; N197-N309 WeakPolarHBondContact OD1-CA 3.4Å; N197-N309 WeakPolarHBondContact OD1-CB 3.23Å; N197-N309 PolarHBondContact OD1-ND2 3.4Å; N197-N309 PolarHBondContact OD1-OD1 3.36Å |
| 198 | P | 71.7 | Confident | 79.7 | Confident | 56 Ų | 56 | 70.8 Ų | 70.8 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 150.4 | 179.6 | 29.5 | -34.8 | 0 | 0 | 0 | 111.2 | R239 | P198-R239 HydrophobicContact CG-CG 4.45Š|
| 199 | A | 67.7 | Low | 80 | Confident | 85 Ų | 85 | 66.2 Ų | 66.2 | 70% | 0.702 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 151.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S201 | A199-S201 PolarHBondContact O-N 2.91Š|
| 200 | P | 62.7 | Low | 80.3 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 60% | 0.604 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 124.8 | 179.7 | -16.8 | 28.3 | 0 | 0 | 0 | 110.9 | ||
| 201 | S | 61.3 | Low | 80.5 | Confident | 98 Ų | 98 | 63.3 Ų | 63.3 | 69% | 0.685 | 34% | 0.342 | S | S | * | . | trans | -100 | -11.2 | 175.1 | 61 | 0 | 0 | 0 | 0 | 113.3 | A199 | A199-S201 PolarHBondContact O-N 2.91Š| ||
| 202 | T | 65.5 | Low | 80.7 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 32% | 0.319 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -138.9 | 151.5 | -177.6 | 60.2 | 0 | 0 | 0 | 0 | 110.4 | K204 G242 | T202-K204 PolarHBondContact O-N 3.31Å; T202-K204 VanDerWaalsContact O-N 3.1Å; T202-G242 PolarHBondContact OG1-O 3.35Å |
| 203 | D | 66.3 | Low | 81 | Confident | 182 Ų | 182 | 52.5 Ų | 52.5 | 97% | 0.973 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -74.8 | 12.8 | 172.9 | -65.7 | -32.3 | 0 | 0 | 0 | 113 | ||
| 204 | K | 67.4 | Low | 81.4 | Confident | 111 Ų | 111 | 48.7 Ų | 48.7 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -69.4 | 144.7 | 178.2 | -70.2 | -177.2 | 178.7 | 179.1 | 0 | 109.9 | T202 | T202-K204 PolarHBondContact O-N 3.31Å; T202-K204 VanDerWaalsContact O-N 3.1Å |
| 205 | H | 72.2 | Confident | 81.7 | Confident | 161 Ų | 161 | 49.5 Ų | 49.5 | 75% | 0.745 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 135.6 | 170.5 | -82.5 | -71.1 | 0 | 0 | 0 | 110.5 | ||
| 206 | P | 85.1 | Confident | 82 | Confident | 21 Ų | 21 | 48.1 Ų | 48.1 | 14% | 0.136 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 142.7 | -179 | 27.4 | -36.7 | 0 | 0 | 0 | 111.3 | V208 H244 H690 S695 | P206-V208 HydrophobicContact CB-CG2 4.07Å; P206-V208 HydrophobicContact CG-CG2 4.28Å; P206-H244 CarbonylContact C-O 3.57Å; P206-H244 VanDerWaalsContact CA-O 3.27Å; P206-H244 WeakPolarHBondContact CA-O 3.42Å; P206-H244 HydrophobicContact CB-CB 4.39Å; P206-H244 WeakPolarHBondContact CB-ND1 3.47Å; P206-H690 HydrophobicContact CG-CB 4.16Å; P206-H690 WeakPolarHBondContact CG-O 3.2Å; P206-S695 PolarHBondContact O-OG 3.4Å |
| 207 | F | 90.7 | Very high | 82.1 | Confident | 18 Ų | 18 | 49 Ų | 49 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 110.8 | 172.9 | -170.8 | -93.7 | 0 | 0 | 0 | 109.3 | M209 I234 H238 H243 H244 V245 S246 S695 L696 | F207-M209 HydrophobicContact CD1-CG 4.39Å; F207-M209 HydrophobicContact CE1-CG 3.74Å; F207-M209 HydrophobicContact CE1-SD 3.54Å; F207-M209 VanDerWaalsContact CE1-SD 3.54Å; F207-M209 HydrophobicContact CZ-CG 4.34Å; F207-M209 HydrophobicContact CZ-SD 4.12Å; F207-I234 HydrophobicContact CE1-CG2 3.77Å; F207-I234 HydrophobicContact CZ-CG2 3.82Å; F207-H238 HydrophobicContact CD1-CB 4.16Å; F207-H238 AromaticContact CD1-CG 3.96Å; F207-H238 AromaticContact CD2-CE1 3.73Å; F207-H238 AromaticContact CD2-ND1 3.78Å; F207-H238 AromaticContact CD2-NE2 3.99Å; F207-H238 AromaticContact CE1-CD2 3.67Å; F207-H238 AromaticContact CE2-CD2 3.87Å; F207-H238 AromaticContact CE2-CE1 3.58Å; F207-H238 AromaticContact CE2-NE2 3.45Å; F207-H238 WeakPolarHBondContact CE2-NE2 3.16Å; F207-H238 HydrophobicContact CG-CB 4.3Å; F207-H238 AromaticContact CG-CG 3.95Å; F207-H238 AromaticContact CZ-CD2 3.6Å; F207-H238 AromaticContact CZ-NE2 3.5Å; F207-H243 HydrophobicContact CB-CB 4.4Å; F207-H244 PolarHBondContact N-O 2.81Å; F207-V245 HydrophobicContact CB-CG2 4.26Å; F207-V245 HydrophobicContact CD1-CG1 4.22Å; F207-V245 WeakPolarHBondContact O-CA 3.25Å; F207-S246 PolarHBondContact O-N 3.12Å; F207-S695 WeakPolarHBondContact CA-OG 3.42Å; F207-L696 HydrophobicContact CZ-CB 4.21Å |
| 208 | V | 92.3 | Very high | 82.3 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.8 | -169.8 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | P206 S246 I248 H690 L691 L694 S695 | P206-V208 HydrophobicContact CB-CG2 4.07Å; P206-V208 HydrophobicContact CG-CG2 4.28Å; V208-S246 WeakPolarHBondContact CA-O 3.26Å; V208-I248 HydrophobicContact CG1-CD1 4.46Å; V208-H690 WeakPolarHBondContact CG2-O 3.36Å; V208-L691 HydrophobicContact CG1-CD2 4.03Å; V208-L691 HydrophobicContact CG2-CD2 4.04Å; V208-L694 HydrophobicContact CB-CD2 4.36Å; V208-L694 HydrophobicContact CG1-CD2 3.72Å; V208-S695 PolarHBondContact N-OG 3.29Å; V208-S695 PolarHBondContact O-N 3.37Å |
| 209 | M | 95 | Very high | 83.1 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 148.1 | 174.6 | -70 | -178.1 | 62.5 | 0 | 0 | 109.6 | F207 I234 V235 S246 W247 I248 L696 E698 | F207-M209 HydrophobicContact CD1-CG 4.39Å; F207-M209 HydrophobicContact CE1-CG 3.74Å; F207-M209 HydrophobicContact CE1-SD 3.54Å; F207-M209 VanDerWaalsContact CE1-SD 3.54Å; F207-M209 HydrophobicContact CZ-CG 4.34Å; F207-M209 HydrophobicContact CZ-SD 4.12Å; M209-I234 HydrophobicContact CE-CD1 4.37Å; M209-I234 HydrophobicContact SD-CB 4.31Å; M209-I234 HydrophobicContact SD-CG2 3.81Å; M209-V235 HydrophobicContact CG-CG1 4.43Å; M209-V235 HydrophobicContact SD-CG1 3.65Å; M209-S246 PolarHBondContact N-O 2.91Å; M209-W247 WeakPolarHBondContact O-CA 3.46Å; M209-I248 PolarHBondContact O-N 2.9Å; M209-L696 HydrophobicContact CE-CD2 3.94Å; M209-L696 HydrophobicContact CE-CG 4.31Å; M209-L696 HydrophobicContact CG-CB 4.09Å; M209-L696 HydrophobicContact SD-CB 4.28Å; M209-L696 HydrophobicContact SD-CD2 4.1Å; M209-E698 HydrophobicContact CE-CB 3.85Å |
| 210 | C | 93.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 135.6 | 167 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | P212 I673 I677 L694 M697 | C210-P212 WeakPolarHBondContact O-CD 3.46Å; C210-I673 HydrophobicContact CB-CG2 4.46Å; C210-I673 WeakPolarHBondContact SG-CG2 3.33Å; C210-I677 HydrophobicContact CB-CD1 3.87Å; C210-L694 HydrophobicContact CB-CD1 3.92Å; C210-L694 HydrophobicContact CB-CD2 4.33Å; C210-M697 HydrophobicContact CB-CE 4.47Å |
| 211 | M | 94.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -69.3 | 131.3 | 166.2 | -174.1 | -175.7 | -63.8 | 0 | 0 | 108.8 | P213 M227 L228 W247 I248 P249 M301 C308 | M211-P213 WeakPolarHBondContact O-CD 3.46Å; M211-P213 VanDerWaalsContact O-N 3.08Å; M211-M227 HydrophobicContact CG-CE 3.61Å; M211-M227 HydrophobicContact CG-SD 4.46Å; M211-M227 HydrophobicContact SD-CE 4.04Å; M211-L228 HydrophobicContact CE-CD2 3.29Å; M211-L228 HydrophobicContact SD-CD2 3.72Å; M211-W247 HydrophobicContact CE-CH2 4.04Å; M211-W247 HydrophobicContact CE-CZ2 3.78Å; M211-W247 HydrophobicContact CG-CZ2 4.47Å; M211-I248 PolarHBondContact N-O 2.74Å; M211-P249 HydrophobicContact CE-CB 4.17Å; M211-M301 HydrophobicContact CE-SD 4.13Å; M211-M301 HydrophobicContact SD-CE 3.64Å; M211-M301 HydrophobicContact SD-SD 3.87Å; M211-C308 WeakPolarHBondContact CE-SG 3.44Å | ||
| 212 | P | 94.2 | Very high | 87 | Confident | 11 Ų | 11 | 36.9 Ų | 36.9 | 7% | 0.071 | 19% | 0.194 | C | C | . | . | trans | -54.4 | 114.6 | 163.2 | -25.2 | 33.9 | 0 | 0 | 0 | 110 | C210 P214 M227 E698 W707 | C210-P212 WeakPolarHBondContact O-CD 3.46Å; P212-P214 WeakPolarHBondContact O-CD 3.39Å; P212-M227 HydrophobicContact CB-SD 3.62Å; P212-M227 VanDerWaalsContact CD-SD 3.59Å; P212-M227 HydrophobicContact CG-CG 4.27Å; P212-M227 HydrophobicContact CG-SD 3.63Å; P212-E698 WeakPolarHBondContact CD-O 3.22Å; P212-E698 WeakPolarHBondContact CG-O 3.33Å; P212-W707 HydrophobicContact CB-CH2 3.88Å; P212-W707 HydrophobicContact CB-CZ3 3.66Å; P212-W707 HydrophobicContact CG-CH2 4.26Å; P212-W707 HydrophobicContact CG-CZ3 3.99Å | ||
| 213 | P | 94.2 | Very high | 88.1 | Confident | 13 Ų | 13 | 35 Ų | 35 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 123.8 | -171.2 | 29 | -36.1 | 0 | 0 | 0 | 109.4 | M211 G250 D252 F314 I673 | M211-P213 WeakPolarHBondContact O-CD 3.46Å; M211-P213 VanDerWaalsContact O-N 3.08Å; P213-G250 WeakPolarHBondContact CA-O 3.5Å; P213-G250 WeakPolarHBondContact CB-O 3.3Å; P213-D252 HydrophobicContact CB-CB 4.11Å; P213-D252 HydrophobicContact CG-CB 4.03Å; P213-F314 HydrophobicContact CB-CE2 4.23Å; P213-F314 HydrophobicContact CB-CZ 4.26Å; P213-F314 HydrophobicContact CG-CE2 4.39Å; P213-F314 HydrophobicContact CG-CZ 4.41Å; P213-I673 HydrophobicContact CG-CD1 3.55Å |
| 214 | P | 93.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.013 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 145.2 | 173.5 | 27.3 | -35.9 | 0 | 0 | 0 | 111.1 | P212 L220 G250 F251 D252 M297 M301 | P212-P214 WeakPolarHBondContact O-CD 3.39Å; P214-L220 HydrophobicContact CB-CD2 3.46Å; P214-L220 VanDerWaalsContact CB-CD2 3.46Å; P214-L220 HydrophobicContact CG-CD2 3.77Å; P214-G250 WeakPolarHBondContact CD-O 3.17Å; P214-F251 HydrophobicContact CG-CD1 4.1Å; P214-F251 HydrophobicContact CG-CE1 4.46Å; P214-D252 PolarHBondContact O-N 3.42Å; P214-M297 HydrophobicContact CB-SD 3.93Å; P214-M297 HydrophobicContact CG-SD 3.95Å; P214-M301 HydrophobicContact CG-CE 3.41Å; P214-M301 VanDerWaalsContact CG-CE 3.41Å |
| 215 | N | 92.6 | Very high | 90.6 | Very high | 69 Ų | 69 | 22.8 Ų | 22.8 | 37% | 0.369 | 12% | 0.124 | S | C | . | . | B | Isolated β-bridge | trans | -71.4 | 131.4 | 176.8 | -66.5 | -12.8 | 0 | 0 | 0 | 110.7 | T217 A254 | N215-T217 HydrophobicContact CB-CG2 4.09Å; N215-T217 PolarHBondContact O-N 2.89Å; N215-T217 PolarHBondContact O-OG1 2.87Å; N215-A254 HydrophobicContact CB-CB 3.6Å |
| 216 | V | 92.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 24.4 | 176.4 | -60.6 | 0 | 0 | 0 | 0 | 114.9 | G218 F251 D252 T258 W289 K293 M294 M297 Y315 | V216-G218 VanDerWaalsContact C-N 3.3Å; V216-G218 PolarHBondContact O-N 2.57Å; V216-F251 HydrophobicContact CG1-CB 4.22Å; V216-D252 WeakPolarHBondContact CG2-O 3.17Å; V216-D252 PolarHBondContact N-O 3.09Å; V216-T258 HydrophobicContact CG2-CG2 3.99Å; V216-T258 WeakPolarHBondContact CG2-OG1 3.1Å; V216-W289 PolarHBondContact O-NE1 3.43Å; V216-K293 HydrophobicContact CB-CB 4.48Å; V216-M294 HydrophobicContact CG1-CG 3.76Å; V216-M294 HydrophobicContact CG1-SD 4.44Å; V216-M297 HydrophobicContact CB-CE 4.18Å; V216-M297 HydrophobicContact CG1-CE 3.74Å; V216-Y315 HydrophobicContact CG1-CE2 4.12Å |
| 217 | T | 88.7 | Confident | 92.2 | Very high | 23 Ų | 23 | 14.6 Ų | 14.6 | 14% | 0.141 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -5.5 | 178.8 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | N215 A254 A257 K743 | N215-T217 HydrophobicContact CB-CG2 4.09Å; N215-T217 PolarHBondContact O-N 2.89Å; N215-T217 PolarHBondContact O-OG1 2.87Å; T217-A254 HydrophobicContact CG2-CB 4.12Å; T217-A257 HydrophobicContact CG2-CB 3.79Å; T217-K743 PolarHBondContact OG1-NZ 3.3Å |
| 218 | G | 85.7 | Confident | 92.4 | Very high | 10 Ų | 10 | 13.8 Ų | 13.8 | 10% | 0.103 | 8% | 0.081 | C | C | . | . | S | Bend | trans | 163.6 | -154.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V216 | V216-G218 VanDerWaalsContact C-N 3.3Å; V216-G218 PolarHBondContact O-N 2.57Å |
| 219 | T | 88.6 | Confident | 92.6 | Very high | 59 Ų | 59 | 13.7 Ų | 13.7 | 36% | 0.362 | 8% | 0.081 | S | C | . | . | trans | -84.5 | 163.9 | 175.6 | 55.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 220 | L | 92 | Very high | 92.6 | Very high | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | trans | -67 | 160.8 | 173.6 | -57.5 | -173.6 | 0 | 0 | 0 | 111.6 | P214 H224 L228 M297 Q300 M301 P751 | P214-L220 HydrophobicContact CB-CD2 3.46Å; P214-L220 VanDerWaalsContact CB-CD2 3.46Å; P214-L220 HydrophobicContact CG-CD2 3.77Å; L220-H224 HydrophobicContact CB-CB 4.09Å; L220-H224 HydrophobicContact CD1-CB 4.44Å; L220-H224 HydrophobicContact CD2-CB 4.12Å; L220-H224 HydrophobicContact CG-CB 4.45Å; L220-L228 HydrophobicContact CD1-CD1 4.18Å; L220-M297 HydrophobicContact CD2-CB 4.24Å; L220-M297 HydrophobicContact CD2-CG 3.84Å; L220-M297 HydrophobicContact CD2-SD 3.71Å; L220-M297 HydrophobicContact CG-CB 4.13Å; L220-M297 HydrophobicContact CG-CG 3.92Å; L220-M297 HydrophobicContact CG-SD 4.45Å; L220-Q300 HydrophobicContact CB-CB 4.46Å; L220-Q300 HydrophobicContact CD1-CB 3.92Å; L220-Q300 HydrophobicContact CG-CB 4.31Å; L220-Q300 PolarHBondContact O-NE2 3.19Å; L220-M301 HydrophobicContact CD1-CE 3.96Å; L220-M301 HydrophobicContact CD1-CG 3.68Å; L220-M301 HydrophobicContact CD2-CE 4.46Å; L220-P751 VanDerWaalsContact O-CD 3.3Å; L220-P751 WeakPolarHBondContact O-CD 3.4Å | ||
| 221 | H | 90.8 | Very high | 92.7 | Very high | 38 Ų | 38 | 13.7 Ų | 13.7 | 18% | 0.176 | 8% | 0.08 | C | C | . | . | trans | -136.4 | 175.9 | -179.9 | 59.5 | 50.7 | 0 | 0 | 0 | 111.6 | G223 H224 A225 V748 V749 | H221-G223 VanDerWaalsContact C-N 3.27Å; H221-G223 WeakPolarHBondContact ND1-CA 3.23Å; H221-G223 PolarHBondContact ND1-N 2.83Å; H221-G223 PolarHBondContact O-N 3.19Å; H221-G223 VanDerWaalsContact O-N 3.13Å; H221-H224 AromaticContact CD2-CE1 3.64Å; H221-H224 AromaticContact CD2-ND1 3.61Å; H221-H224 AromaticContact CE1-CE1 3.35Å; H221-H224 PolarHBondContact CE1-CE1 3.04Å; H221-H224 AromaticContact CE1-ND1 3.18Å; H221-H224 PolarHBondContact CE1-ND1 3.07Å; H221-H224 AromaticContact CG-CE1 3.91Å; H221-H224 AromaticContact CG-ND1 3.39Å; H221-H224 PolarHBondContact N-ND1 3.12Å; H221-H224 AromaticContact ND1-CE1 3.75Å; H221-H224 AromaticContact ND1-CG 3.98Å; H221-H224 PolarHBondContact ND1-N 2.93Å; H221-H224 AromaticContact ND1-ND1 3.12Å; H221-H224 PolarHBondContact ND1-ND1 2.9Å; H221-H224 VanDerWaalsContact ND1-ND1 3.12Å; H221-H224 AromaticContact NE2-CE1 3.27Å; H221-H224 PolarHBondContact NE2-CE1 3.32Å; H221-H224 VanDerWaalsContact NE2-CE1 3.27Å; H221-H224 AromaticContact NE2-ND1 3.48Å; H221-H224 PolarHBondContact NE2-ND1 3.3Å; H221-H224 WeakPolarHBondContact O-CA 3.25Å; H221-H224 WeakPolarHBondContact O-CB 3.39Å; H221-H224 PolarHBondContact O-N 3.02Å; H221-A225 PolarHBondContact O-N 3.07Å; H221-V748 HydrophobicContact CB-CG1 3.22Å; H221-V749 WeakPolarHBondContact CA-O 3.49Å | ||
| 222 | M | 91 | Very high | 92.7 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -55.2 | -33.5 | -178.1 | -63.5 | -50.6 | -47.5 | 0 | 0 | 115.7 | H224 A225 L226 V733 M741 V749 P751 L754 L768 L772 L784 | M222-H224 VanDerWaalsContact C-N 3.33Å; M222-H224 PolarHBondContact O-N 2.98Å; M222-A225 HydrophobicContact CE-CB 3.92Å; M222-A225 PolarHBondContact O-N 2.7Å; M222-A225 HydrophobicContact SD-CB 4.48Å; M222-L226 PolarHBondContact O-N 2.99Å; M222-V733 HydrophobicContact CB-CG1 3.98Å; M222-M741 HydrophobicContact CB-CE 4.24Å; M222-M741 HydrophobicContact CB-SD 3.81Å; M222-M741 HydrophobicContact CG-CE 4.27Å; M222-M741 HydrophobicContact CG-SD 4.19Å; M222-V749 HydrophobicContact CG-CB 3.82Å; M222-V749 HydrophobicContact CG-CG1 4.32Å; M222-V749 PolarHBondContact N-O 3.21Å; M222-V749 HydrophobicContact SD-CG1 4.41Å; M222-P751 HydrophobicContact SD-CB 4.44Å; M222-P751 HydrophobicContact SD-CG 4.21Å; M222-L754 HydrophobicContact CE-CD1 4.5Å; M222-L754 HydrophobicContact SD-CD1 3.93Å; M222-L768 HydrophobicContact CE-CD1 3.38Å; M222-L768 HydrophobicContact CE-CD2 4.2Å; M222-L768 HydrophobicContact CE-CG 4.04Å; M222-L768 HydrophobicContact SD-CD1 4.24Å; M222-L772 HydrophobicContact CE-CD1 3.7Å; M222-L772 HydrophobicContact CE-CD2 3.72Å; M222-L772 HydrophobicContact CE-CG 4.01Å; M222-L784 HydrophobicContact CB-CD2 4.4Å; M222-L784 HydrophobicContact CE-CD1 4.4Å; M222-L784 HydrophobicContact CE-CD2 3.87Å; M222-L784 HydrophobicContact CG-CD2 3.74Å; M222-L784 HydrophobicContact SD-CD2 4.15Å |
| 223 | G | 89.8 | Confident | 92.8 | Very high | 12 Ų | 12 | 13.1 Ų | 13.1 | 12% | 0.124 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.6 | -39.9 | 170 | 0 | 0 | 0 | 0 | 0 | 114 | H221 L226 M227 | H221-G223 VanDerWaalsContact C-N 3.27Å; H221-G223 WeakPolarHBondContact ND1-CA 3.23Å; H221-G223 PolarHBondContact ND1-N 2.83Å; H221-G223 PolarHBondContact O-N 3.19Å; H221-G223 VanDerWaalsContact O-N 3.13Å; G223-L226 PolarHBondContact O-N 3.21Å; G223-M227 PolarHBondContact O-N 3.44Å |
| 224 | H | 92.6 | Very high | 92.8 | Very high | 35 Ų | 35 | 12.6 Ų | 12.6 | 16% | 0.162 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -71 | -38.5 | 173.4 | -58.8 | 101.2 | 0 | 0 | 0 | 110.8 | L220 H221 M222 L226 M227 L228 | L220-H224 HydrophobicContact CB-CB 4.09Å; L220-H224 HydrophobicContact CD1-CB 4.44Å; L220-H224 HydrophobicContact CD2-CB 4.12Å; L220-H224 HydrophobicContact CG-CB 4.45Å; H221-H224 AromaticContact CD2-CE1 3.64Å; H221-H224 AromaticContact CD2-ND1 3.61Å; H221-H224 AromaticContact CE1-CE1 3.35Å; H221-H224 PolarHBondContact CE1-CE1 3.04Å; H221-H224 AromaticContact CE1-ND1 3.18Å; H221-H224 PolarHBondContact CE1-ND1 3.07Å; H221-H224 AromaticContact CG-CE1 3.91Å; H221-H224 AromaticContact CG-ND1 3.39Å; H221-H224 PolarHBondContact N-ND1 3.12Å; H221-H224 AromaticContact ND1-CE1 3.75Å; H221-H224 AromaticContact ND1-CG 3.98Å; H221-H224 PolarHBondContact ND1-N 2.93Å; H221-H224 AromaticContact ND1-ND1 3.12Å; H221-H224 PolarHBondContact ND1-ND1 2.9Å; H221-H224 VanDerWaalsContact ND1-ND1 3.12Å; H221-H224 AromaticContact NE2-CE1 3.27Å; H221-H224 PolarHBondContact NE2-CE1 3.32Å; H221-H224 VanDerWaalsContact NE2-CE1 3.27Å; H221-H224 AromaticContact NE2-ND1 3.48Å; H221-H224 PolarHBondContact NE2-ND1 3.3Å; H221-H224 WeakPolarHBondContact O-CA 3.25Å; H221-H224 WeakPolarHBondContact O-CB 3.39Å; H221-H224 PolarHBondContact O-N 3.02Å; M222-H224 VanDerWaalsContact C-N 3.33Å; M222-H224 PolarHBondContact O-N 2.98Å; H224-L226 VanDerWaalsContact C-N 3.26Å; H224-L226 PolarHBondContact O-N 2.9Å; H224-M227 PolarHBondContact O-N 2.85Å; H224-L228 WeakPolarHBondContact O-CB 3.25Å; H224-L228 WeakPolarHBondContact O-CG 3.48Å; H224-L228 PolarHBondContact O-N 2.78Å |
| 225 | A | 93.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 2% | 0.017 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.3 | -35 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | H221 M222 A229 I304 P751 L772 | H221-A225 PolarHBondContact O-N 3.07Å; M222-A225 HydrophobicContact CE-CB 3.92Å; M222-A225 PolarHBondContact O-N 2.7Å; M222-A225 HydrophobicContact SD-CB 4.48Å; A225-A229 WeakPolarHBondContact O-CB 3.38Å; A225-A229 PolarHBondContact O-N 2.83Å; A225-I304 HydrophobicContact CB-CD1 4.08Å; A225-P751 HydrophobicContact CB-CB 4.25Å; A225-P751 HydrophobicContact CB-CG 3.91Å; A225-L772 HydrophobicContact CB-CD1 3.8Å |
| 226 | L | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64 | -53.7 | 173.9 | 176.7 | 66 | 0 | 0 | 0 | 111.3 | M222 G223 H224 L228 A229 I230 V733 L772 V782 | M222-L226 PolarHBondContact O-N 2.99Å; G223-L226 PolarHBondContact O-N 3.21Å; H224-L226 VanDerWaalsContact C-N 3.26Å; H224-L226 PolarHBondContact O-N 2.9Å; L226-L228 VanDerWaalsContact C-N 3.27Å; L226-L228 PolarHBondContact O-N 2.79Å; L226-A229 PolarHBondContact O-N 3.22Å; L226-A229 VanDerWaalsContact O-N 3.11Å; L226-I230 HydrophobicContact CD1-CD1 3.75Å; L226-I230 HydrophobicContact CD1-CG1 4.19Å; L226-I230 HydrophobicContact CD2-CD1 4.46Å; L226-I230 HydrophobicContact CG-CD1 3.74Å; L226-I230 WeakPolarHBondContact O-CG1 3.29Å; L226-I230 PolarHBondContact O-N 3.14Å; L226-V733 HydrophobicContact CB-CG2 3.99Å; L226-V733 HydrophobicContact CD2-CG2 3.75Å; L226-V733 HydrophobicContact CG-CG2 4.49Å; L226-L772 HydrophobicContact CB-CD2 4.4Å; L226-L772 HydrophobicContact CD1-CB 4Å; L226-V782 HydrophobicContact CD1-CG1 4.46Å; L226-V782 HydrophobicContact CD2-CB 4.11Å; L226-V782 HydrophobicContact CD2-CG1 4.29Å; L226-V782 HydrophobicContact CD2-CG2 3.72Å |
| 227 | M | 94.6 | Very high | 92.8 | Very high | 11 Ų | 11 | 9.6 Ų | 9.6 | 5% | 0.054 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -53.4 | -46 | 175.9 | 178 | -159.1 | 75.9 | 0 | 0 | 111.2 | M211 P212 G223 H224 A229 I230 G231 E698 | M211-M227 HydrophobicContact CG-CE 3.61Å; M211-M227 HydrophobicContact CG-SD 4.46Å; M211-M227 HydrophobicContact SD-CE 4.04Å; P212-M227 HydrophobicContact CB-SD 3.62Å; P212-M227 VanDerWaalsContact CD-SD 3.59Å; P212-M227 HydrophobicContact CG-CG 4.27Å; P212-M227 HydrophobicContact CG-SD 3.63Å; G223-M227 PolarHBondContact O-N 3.44Å; H224-M227 PolarHBondContact O-N 2.85Å; M227-A229 PolarHBondContact O-N 3.39Å; M227-I230 PolarHBondContact O-N 2.94Å; M227-G231 PolarHBondContact O-N 2.71Å; M227-E698 WeakPolarHBondContact CG-OE2 3.49Å |
| 228 | L | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 177.3 | -68.2 | 170.5 | 0 | 0 | 0 | 112.3 | M211 L220 H224 L226 D232 W247 M301 I304 C306 | M211-L228 HydrophobicContact CE-CD2 3.29Å; M211-L228 HydrophobicContact SD-CD2 3.72Å; L220-L228 HydrophobicContact CD1-CD1 4.18Å; H224-L228 WeakPolarHBondContact O-CB 3.25Å; H224-L228 WeakPolarHBondContact O-CG 3.48Å; H224-L228 PolarHBondContact O-N 2.78Å; L226-L228 VanDerWaalsContact C-N 3.27Å; L226-L228 PolarHBondContact O-N 2.79Å; L228-D232 WeakPolarHBondContact O-CB 3.49Å; L228-D232 PolarHBondContact O-N 3.47Å; L228-W247 HydrophobicContact CD2-CH2 4.07Å; L228-W247 HydrophobicContact CD2-CZ2 4.4Å; L228-W247 WeakPolarHBondContact O-CH2 3.38Å; L228-M301 HydrophobicContact CD1-CB 4.49Å; L228-M301 HydrophobicContact CD1-CG 3.92Å; L228-M301 HydrophobicContact CD2-CG 4.21Å; L228-I304 HydrophobicContact CB-CG2 4.22Å; L228-I304 HydrophobicContact CD1-CD1 3.59Å; L228-C306 HydrophobicContact CD2-CB 4.46Å |
| 229 | A | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.6 | -40.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A225 L226 M227 C233 R769 L773 | A225-A229 WeakPolarHBondContact O-CB 3.38Å; A225-A229 PolarHBondContact O-N 2.83Å; L226-A229 PolarHBondContact O-N 3.22Å; L226-A229 VanDerWaalsContact O-N 3.11Å; M227-A229 PolarHBondContact O-N 3.39Å; A229-C233 WeakPolarHBondContact O-CB 3.36Å; A229-C233 PolarHBondContact O-N 2.84Å; A229-C233 PolarHBondContact O-SG 2.87Å; A229-R769 HydrophobicContact CB-CB 4.34Å; A229-R769 HydrophobicContact CB-CG 4.18Å; A229-L773 HydrophobicContact CB-CD1 4.31Å; A229-L773 HydrophobicContact CB-CD2 4.32Å; A229-L773 HydrophobicContact CB-CG 4.25Å |
| 230 | I | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -66 | -56.4 | 177.2 | -68.9 | 167.9 | 0 | 0 | 0 | 110.1 | L226 M227 D232 C233 I234 E698 F728 H730 L773 P777 F852 | L226-I230 HydrophobicContact CD1-CD1 3.75Å; L226-I230 HydrophobicContact CD1-CG1 4.19Å; L226-I230 HydrophobicContact CD2-CD1 4.46Å; L226-I230 HydrophobicContact CG-CD1 3.74Å; L226-I230 WeakPolarHBondContact O-CG1 3.29Å; L226-I230 PolarHBondContact O-N 3.14Å; M227-I230 PolarHBondContact O-N 2.94Å; I230-D232 VanDerWaalsContact C-N 3.3Å; I230-D232 PolarHBondContact O-N 3.33Å; I230-C233 WeakPolarHBondContact O-CB 3.4Å; I230-C233 PolarHBondContact O-N 3.23Å; I230-I234 HydrophobicContact CG2-CD1 3.97Å; I230-I234 WeakPolarHBondContact O-CG1 3.49Å; I230-I234 PolarHBondContact O-N 3.08Å; I230-I234 VanDerWaalsContact O-N 3.13Å; I230-E698 HydrophobicContact CG2-CG 3.85Å; I230-F728 HydrophobicContact CD1-CE1 4.24Å; I230-F728 HydrophobicContact CG2-CD1 4.13Å; I230-F728 HydrophobicContact CG2-CE1 3.82Å; I230-H730 HydrophobicContact CD1-CB 3.9Å; I230-L773 HydrophobicContact CG1-CD2 3.76Å; I230-P777 HydrophobicContact CD1-CB 3.77Å; I230-P777 HydrophobicContact CD1-CG 4.41Å; I230-F852 HydrophobicContact CG1-CE2 4.45Å; I230-F852 HydrophobicContact CG2-CE2 3.83Å; I230-F852 HydrophobicContact CG2-CZ 3.83Å |
| 231 | G | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -55.7 | -46.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M227 I234 V235 | M227-G231 PolarHBondContact O-N 2.71Å; G231-I234 PolarHBondContact O-N 3.04Å; G231-V235 WeakPolarHBondContact O-CG1 3.48Å; G231-V235 VanDerWaalsContact O-CG2 3.31Å; G231-V235 WeakPolarHBondContact O-CG2 3.41Å; G231-V235 PolarHBondContact O-N 2.79Å |
| 232 | D | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.4 | -39 | -179.7 | -166.9 | 52.6 | 0 | 0 | 0 | 113.4 | L228 I230 I234 V235 R236 W247 S307 R769 | L228-D232 WeakPolarHBondContact O-CB 3.49Å; L228-D232 PolarHBondContact O-N 3.47Å; I230-D232 VanDerWaalsContact C-N 3.3Å; I230-D232 PolarHBondContact O-N 3.33Å; D232-I234 VanDerWaalsContact C-N 3.31Å; D232-I234 PolarHBondContact O-N 3.33Å; D232-V235 PolarHBondContact O-N 2.95Å; D232-R236 VanDerWaalsContact CG-NE 3.27Å; D232-R236 VanDerWaalsContact O-CB 3.27Å; D232-R236 WeakPolarHBondContact O-CB 3.32Å; D232-R236 VanDerWaalsContact O-CG 3.26Å; D232-R236 WeakPolarHBondContact O-CG 3.42Å; D232-R236 PolarHBondContact O-N 2.96Å; D232-R236 IonicContact OD1-CZ 3.83Å; D232-R236 IonicContact OD1-NE 2.91Å; D232-R236 PolarHBondContact OD1-NE 3.21Å; D232-R236 VanDerWaalsContact OD1-NE 3.12Å; D232-R236 WeakPolarHBondContact OD2-CD 3.42Å; D232-R236 IonicContact OD2-CZ 3.51Å; D232-R236 IonicContact OD2-NE 3.57Å; D232-R236 PolarHBondContact OD2-NE 3.44Å; D232-R236 IonicContact OD2-NH2 2.71Å; D232-W247 HydrophobicContact CB-CH2 4Å; D232-W247 HydrophobicContact CB-CZ3 3.62Å; D232-S307 VanDerWaalsContact OD1-CB 3.28Å; D232-S307 WeakPolarHBondContact OD1-CB 3.43Å; D232-S307 PolarHBondContact OD1-N 3.03Å; D232-S307 PolarHBondContact OD1-OG 3.46Å; D232-R769 IonicContact OD2-CZ 3.75Å; D232-R769 IonicContact OD2-NH1 2.76Å; D232-R769 PolarHBondContact OD2-NH1 2.9Å; D232-R769 IonicContact OD2-NH2 3.98Å; D232-R769 PolarHBondContact OD2-NH2 2.89Å |
| 233 | C | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.8 | -45.1 | 172.8 | -81.2 | 0 | 0 | 0 | 0 | 111.6 | A229 I230 S237 L773 F852 P908 | A229-C233 WeakPolarHBondContact O-CB 3.36Å; A229-C233 PolarHBondContact O-N 2.84Å; A229-C233 PolarHBondContact O-SG 2.87Å; I230-C233 WeakPolarHBondContact O-CB 3.4Å; I230-C233 PolarHBondContact O-N 3.23Å; C233-S237 WeakPolarHBondContact O-CB 3.19Å; C233-S237 PolarHBondContact O-N 3.28Å; C233-S237 VanDerWaalsContact O-N 3.15Å; C233-S237 PolarHBondContact O-OG 3.01Å; C233-L773 WeakPolarHBondContact SG-CD1 3.36Å; C233-F852 HydrophobicContact CB-CD1 4.11Å; C233-F852 HydrophobicContact CB-CE1 3.86Å; C233-P908 HydrophobicContact CB-CB 4.49Å; C233-P908 PolarHBondContact SG-O 3.16Å |
| 234 | I | 94.9 | Very high | 92 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.6 | -49.3 | 179.8 | -62 | 167.1 | 0 | 0 | 0 | 110 | F207 M209 I230 G231 D232 R236 S237 H238 L696 Y850 F852 | F207-I234 HydrophobicContact CE1-CG2 3.77Å; F207-I234 HydrophobicContact CZ-CG2 3.82Å; M209-I234 HydrophobicContact CE-CD1 4.37Å; M209-I234 HydrophobicContact SD-CB 4.31Å; M209-I234 HydrophobicContact SD-CG2 3.81Å; I230-I234 HydrophobicContact CG2-CD1 3.97Å; I230-I234 WeakPolarHBondContact O-CG1 3.49Å; I230-I234 PolarHBondContact O-N 3.08Å; I230-I234 VanDerWaalsContact O-N 3.13Å; G231-I234 PolarHBondContact O-N 3.04Å; D232-I234 VanDerWaalsContact C-N 3.31Å; D232-I234 PolarHBondContact O-N 3.33Å; I234-R236 PolarHBondContact O-N 2.78Å; I234-S237 PolarHBondContact O-N 3.2Å; I234-S237 PolarHBondContact O-OG 2.83Å; I234-H238 PolarHBondContact O-CD2 3.39Å; I234-H238 VanDerWaalsContact O-CD2 3.26Å; I234-H238 PolarHBondContact O-N 3.35Å; I234-L696 HydrophobicContact CD1-CD2 3.69Å; I234-L696 HydrophobicContact CG2-CD2 4.3Å; I234-Y850 HydrophobicContact CD1-CD1 3.93Å; I234-Y850 HydrophobicContact CD1-CE1 3.81Å; I234-Y850 HydrophobicContact CG1-CD1 4.09Å; I234-Y850 HydrophobicContact CG1-CE1 3.98Å; I234-Y850 HydrophobicContact CG2-CE1 4.33Å; I234-F852 HydrophobicContact CD1-CZ 3.91Å; I234-F852 HydrophobicContact CG1-CE1 3.98Å; I234-F852 HydrophobicContact CG1-CZ 3.7Å |
| 235 | V | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -71.7 | -35.2 | -173.2 | -62.8 | 0 | 0 | 0 | 0 | 112 | M209 G231 D232 R239 V245 W247 S307 | M209-V235 HydrophobicContact CG-CG1 4.43Å; M209-V235 HydrophobicContact SD-CG1 3.65Å; G231-V235 WeakPolarHBondContact O-CG1 3.48Å; G231-V235 VanDerWaalsContact O-CG2 3.31Å; G231-V235 WeakPolarHBondContact O-CG2 3.41Å; G231-V235 PolarHBondContact O-N 2.79Å; D232-V235 PolarHBondContact O-N 2.95Å; V235-R239 VanDerWaalsContact O-CB 3.32Å; V235-R239 WeakPolarHBondContact O-CB 3.34Å; V235-R239 PolarHBondContact O-N 3.34Å; V235-V245 HydrophobicContact CB-CG1 3.64Å; V235-V245 HydrophobicContact CG1-CG1 3.92Å; V235-W247 HydrophobicContact CB-CB 4.28Å; V235-W247 HydrophobicContact CG1-CB 3.79Å; V235-W247 HydrophobicContact CG1-CD2 4.28Å; V235-W247 HydrophobicContact CG1-CG 3.91Å; V235-W247 HydrophobicContact CG2-CB 4.2Å; V235-W247 HydrophobicContact CG2-CD2 4.04Å; V235-W247 HydrophobicContact CG2-CE3 3.56Å; V235-W247 HydrophobicContact CG2-CG 4.33Å; V235-W247 HydrophobicContact CG2-CZ3 4.23Å; V235-S307 WeakPolarHBondContact CG2-OG 3.2Å |
| 236 | R | 92.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66 | -44 | 174.5 | -73 | -178.6 | -177.1 | -85.1 | 6.5 | 111.6 | D232 I234 R239 M240 G305 S307 P908 H931 | D232-R236 VanDerWaalsContact CG-NE 3.27Å; D232-R236 VanDerWaalsContact O-CB 3.27Å; D232-R236 WeakPolarHBondContact O-CB 3.32Å; D232-R236 VanDerWaalsContact O-CG 3.26Å; D232-R236 WeakPolarHBondContact O-CG 3.42Å; D232-R236 PolarHBondContact O-N 2.96Å; D232-R236 IonicContact OD1-CZ 3.83Å; D232-R236 IonicContact OD1-NE 2.91Å; D232-R236 PolarHBondContact OD1-NE 3.21Å; D232-R236 VanDerWaalsContact OD1-NE 3.12Å; D232-R236 WeakPolarHBondContact OD2-CD 3.42Å; D232-R236 IonicContact OD2-CZ 3.51Å; D232-R236 IonicContact OD2-NE 3.57Å; D232-R236 PolarHBondContact OD2-NE 3.44Å; D232-R236 IonicContact OD2-NH2 2.71Å; I234-R236 PolarHBondContact O-N 2.78Å; R236-R239 PolarHBondContact O-N 3.01Å; R236-M240 WeakPolarHBondContact O-CB 3.48Å; R236-M240 VanDerWaalsContact O-CG 3.23Å; R236-M240 WeakPolarHBondContact O-CG 3.5Å; R236-M240 PolarHBondContact O-N 2.89Å; R236-G305 PolarHBondContact NH2-O 2.87Å; R236-S307 WeakPolarHBondContact CG-OG 3.26Å; R236-P908 HydrophobicContact CB-CB 4.21Å; R236-P908 HydrophobicContact CB-CG 4.48Å; R236-H931 PolarHBondContact NH1-CD2 3.39Å; R236-H931 PolarHBondContact NH1-CE1 3.05Å; R236-H931 VanDerWaalsContact NH1-CG 3.32Å; R236-H931 PolarHBondContact NH1-ND1 2.89Å; R236-H931 PolarHBondContact NH1-NE2 3.43Å |
| 237 | S | 91.6 | Very high | 91.8 | Very high | 8 Ų | 8 | 13.7 Ų | 13.7 | 6% | 0.056 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.7 | -43.9 | 179.4 | 66.7 | 0 | 0 | 0 | 0 | 112.2 | C233 I234 R239 M240 C241 | C233-S237 WeakPolarHBondContact O-CB 3.19Å; C233-S237 PolarHBondContact O-N 3.28Å; C233-S237 VanDerWaalsContact O-N 3.15Å; C233-S237 PolarHBondContact O-OG 3.01Å; I234-S237 PolarHBondContact O-N 3.2Å; I234-S237 PolarHBondContact O-OG 2.83Å; S237-R239 VanDerWaalsContact C-N 3.29Å; S237-R239 PolarHBondContact O-N 2.82Å; S237-M240 PolarHBondContact O-N 3.41Å; S237-C241 WeakPolarHBondContact O-CB 3.34Å; S237-C241 PolarHBondContact O-N 2.98Å; S237-C241 PolarHBondContact O-SG 2.74Å |
| 238 | H | 90.1 | Very high | 91.8 | Very high | 43 Ų | 43 | 13.1 Ų | 13.1 | 20% | 0.199 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.5 | -40.3 | 174.9 | -86.5 | -79.8 | 0 | 0 | 0 | 112.3 | F207 I234 C241 G242 H243 V245 | F207-H238 HydrophobicContact CD1-CB 4.16Å; F207-H238 AromaticContact CD1-CG 3.96Å; F207-H238 AromaticContact CD2-CE1 3.73Å; F207-H238 AromaticContact CD2-ND1 3.78Å; F207-H238 AromaticContact CD2-NE2 3.99Å; F207-H238 AromaticContact CE1-CD2 3.67Å; F207-H238 AromaticContact CE2-CD2 3.87Å; F207-H238 AromaticContact CE2-CE1 3.58Å; F207-H238 AromaticContact CE2-NE2 3.45Å; F207-H238 WeakPolarHBondContact CE2-NE2 3.16Å; F207-H238 HydrophobicContact CG-CB 4.3Å; F207-H238 AromaticContact CG-CG 3.95Å; F207-H238 AromaticContact CZ-CD2 3.6Å; F207-H238 AromaticContact CZ-NE2 3.5Å; I234-H238 PolarHBondContact O-CD2 3.39Å; I234-H238 VanDerWaalsContact O-CD2 3.26Å; I234-H238 PolarHBondContact O-N 3.35Å; H238-C241 CarbonylContact O-C 3.52Å; H238-C241 WeakPolarHBondContact O-CB 3.4Å; H238-C241 PolarHBondContact O-N 3.17Å; H238-G242 PolarHBondContact O-N 2.92Å; H238-H243 HydrophobicContact CB-CB 4.4Å; H238-H243 AromaticContact ND1-CE1 3.97Å; H238-H243 AromaticContact ND1-ND1 3.77Å; H238-H243 WeakPolarHBondContact O-CB 3.42Å; H238-H243 PolarHBondContact O-N 2.84Å; H238-H243 PolarHBondContact O-ND1 2.75Å; H238-V245 HydrophobicContact CB-CG2 3.71Å |
| 239 | R | 90.2 | Very high | 91.8 | Very high | 19 Ų | 19 | 13.1 Ų | 13.1 | 7% | 0.072 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.5 | -46.4 | 177.2 | -171.2 | -175.5 | -61.4 | 111.1 | -4.9 | 111.3 | F196 P198 V235 R236 S237 C241 G242 V245 S307 | F196-R239 PolarHBondContact O-NE 2.93Å; F196-R239 PolarHBondContact O-NH2 3.06Å; P198-R239 HydrophobicContact CG-CG 4.45Å; V235-R239 VanDerWaalsContact O-CB 3.32Å; V235-R239 WeakPolarHBondContact O-CB 3.34Å; V235-R239 PolarHBondContact O-N 3.34Å; R236-R239 PolarHBondContact O-N 3.01Å; S237-R239 VanDerWaalsContact C-N 3.29Å; S237-R239 PolarHBondContact O-N 2.82Å; R239-C241 PolarHBondContact O-N 3.46Å; R239-G242 WeakPolarHBondContact O-CA 3.36Å; R239-G242 PolarHBondContact O-N 2.8Å; R239-V245 HydrophobicContact CB-CB 4.35Å; R239-V245 HydrophobicContact CB-CG2 3.87Å; R239-S307 PolarHBondContact NH1-OG 2.99Å; R239-S307 VanDerWaalsContact NH1-OG 3.09Å; R239-S307 PolarHBondContact NH2-O 3.32Å; R239-S307 PolarHBondContact NH2-OG 3.33Å |
| 240 | M | 90 | Very high | 91.7 | Very high | 10 Ų | 10 | 13.1 Ų | 13.1 | 5% | 0.049 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66 | -25.8 | 176.4 | -65.9 | 173.4 | 70.7 | 0 | 0 | 112.3 | R236 S237 G242 R904 A907 P908 V930 Y935 | R236-M240 WeakPolarHBondContact O-CB 3.48Å; R236-M240 VanDerWaalsContact O-CG 3.23Å; R236-M240 WeakPolarHBondContact O-CG 3.5Å; R236-M240 PolarHBondContact O-N 2.89Å; S237-M240 PolarHBondContact O-N 3.41Å; M240-G242 PolarHBondContact O-N 2.85Å; M240-R904 HydrophobicContact CE-CB 4.06Å; M240-R904 VanDerWaalsContact CE-O 3.23Å; M240-R904 WeakPolarHBondContact CE-O 3.44Å; M240-A907 HydrophobicContact CE-CB 4.22Å; M240-A907 HydrophobicContact SD-CB 4.17Å; M240-P908 HydrophobicContact SD-CG 4.21Å; M240-V930 WeakPolarHBondContact CE-O 3.36Å; M240-Y935 HydrophobicContact CB-CD2 4.18Å; M240-Y935 HydrophobicContact CB-CG 4.41Å; M240-Y935 HydrophobicContact CE-CD2 4.3Å; M240-Y935 PolarHBondContact O-N 2.92Å; M240-Y935 HydrophobicContact SD-CD2 4.43Å |
| 241 | C | 87 | Confident | 91.8 | Very high | 51 Ų | 51 | 13.7 Ų | 13.7 | 35% | 0.345 | 8% | 0.076 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 6.3 | 169.3 | -69.2 | 0 | 0 | 0 | 0 | 113.9 | S237 H238 R239 Y935 | S237-C241 WeakPolarHBondContact O-CB 3.34Å; S237-C241 PolarHBondContact O-N 2.98Å; S237-C241 PolarHBondContact O-SG 2.74Å; H238-C241 CarbonylContact O-C 3.52Å; H238-C241 WeakPolarHBondContact O-CB 3.4Å; H238-C241 PolarHBondContact O-N 3.17Å; R239-C241 PolarHBondContact O-N 3.46Å; C241-Y935 VanDerWaalsContact SG-CB 3.59Å |
| 242 | G | 82.4 | Confident | 91.8 | Very high | 24 Ų | 24 | 13.9 Ų | 13.9 | 25% | 0.247 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 12.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | T202 H238 R239 M240 | T202-G242 PolarHBondContact OG1-O 3.35Å; H238-G242 PolarHBondContact O-N 2.92Å; R239-G242 WeakPolarHBondContact O-CA 3.36Å; R239-G242 PolarHBondContact O-N 2.8Å; M240-G242 PolarHBondContact O-N 2.85Å |
| 243 | H | 85.1 | Confident | 91.7 | Very high | 50 Ų | 50 | 13.9 Ų | 13.9 | 23% | 0.231 | 8% | 0.077 | C | C | . | . | trans | -76.3 | 144.9 | 172.2 | -60.5 | 81.3 | 0 | 0 | 0 | 110.2 | F207 H238 V245 | F207-H243 HydrophobicContact CB-CB 4.4Å; H238-H243 HydrophobicContact CB-CB 4.4Å; H238-H243 AromaticContact ND1-CE1 3.97Å; H238-H243 AromaticContact ND1-ND1 3.77Å; H238-H243 WeakPolarHBondContact O-CB 3.42Å; H238-H243 PolarHBondContact O-N 2.84Å; H238-H243 PolarHBondContact O-ND1 2.75Å; H243-V245 HydrophobicContact CB-CG2 4.07Å; H243-V245 WeakPolarHBondContact O-CG2 3.43Å; H243-V245 PolarHBondContact O-N 3.06Å | ||
| 244 | H | 85.9 | Confident | 91.5 | Very high | 60 Ų | 60 | 14 Ų | 14 | 28% | 0.278 | 8% | 0.078 | S | C | . | . | trans | -71.9 | 112.1 | 162.8 | 177.2 | -91.2 | 0 | 0 | 0 | 108.6 | P206 F207 | P206-H244 CarbonylContact C-O 3.57Å; P206-H244 VanDerWaalsContact CA-O 3.27Å; P206-H244 WeakPolarHBondContact CA-O 3.42Å; P206-H244 HydrophobicContact CB-CB 4.39Å; P206-H244 WeakPolarHBondContact CB-ND1 3.47Å; F207-H244 PolarHBondContact N-O 2.81Å | ||
| 245 | V | 90.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 2% | 0.018 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 131.2 | -174 | -175.6 | 0 | 0 | 0 | 0 | 110.9 | F207 V235 H238 R239 H243 | F207-V245 HydrophobicContact CB-CG2 4.26Å; F207-V245 HydrophobicContact CD1-CG1 4.22Å; F207-V245 WeakPolarHBondContact O-CA 3.25Å; V235-V245 HydrophobicContact CB-CG1 3.64Å; V235-V245 HydrophobicContact CG1-CG1 3.92Å; H238-V245 HydrophobicContact CB-CG2 3.71Å; R239-V245 HydrophobicContact CB-CB 4.35Å; R239-V245 HydrophobicContact CB-CG2 3.87Å; H243-V245 HydrophobicContact CB-CG2 4.07Å; H243-V245 WeakPolarHBondContact O-CG2 3.43Å; H243-V245 PolarHBondContact O-N 3.06Å |
| 246 | S | 90.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 14.7 Ų | 14.7 | 3% | 0.028 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 108.3 | 171.4 | -171.5 | 0 | 0 | 0 | 0 | 109.9 | F207 V208 M209 N309 | F207-S246 PolarHBondContact O-N 3.12Å; V208-S246 WeakPolarHBondContact CA-O 3.26Å; M209-S246 PolarHBondContact N-O 2.91Å; S246-N309 PolarHBondContact OG-ND2 2.94Å |
| 247 | W | 94.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 105.4 | 172.2 | -170.3 | 25.8 | 0 | 0 | 0 | 109.8 | M209 M211 L228 D232 V235 P249 C306 N309 | M209-W247 WeakPolarHBondContact O-CA 3.46Å; M211-W247 HydrophobicContact CE-CH2 4.04Å; M211-W247 HydrophobicContact CE-CZ2 3.78Å; M211-W247 HydrophobicContact CG-CZ2 4.47Å; L228-W247 HydrophobicContact CD2-CH2 4.07Å; L228-W247 HydrophobicContact CD2-CZ2 4.4Å; L228-W247 WeakPolarHBondContact O-CH2 3.38Å; D232-W247 HydrophobicContact CB-CH2 4Å; D232-W247 HydrophobicContact CB-CZ3 3.62Å; V235-W247 HydrophobicContact CB-CB 4.28Å; V235-W247 HydrophobicContact CG1-CB 3.79Å; V235-W247 HydrophobicContact CG1-CD2 4.28Å; V235-W247 HydrophobicContact CG1-CG 3.91Å; V235-W247 HydrophobicContact CG2-CB 4.2Å; V235-W247 HydrophobicContact CG2-CD2 4.04Å; V235-W247 HydrophobicContact CG2-CE3 3.56Å; V235-W247 HydrophobicContact CG2-CG 4.33Å; V235-W247 HydrophobicContact CG2-CZ3 4.23Å; W247-P249 WeakPolarHBondContact O-CD 3.38Å; W247-C306 HydrophobicContact CH2-CB 4.15Å; W247-C306 HydrophobicContact CZ3-CB 3.75Å; W247-N309 PolarHBondContact O-N 2.94Å |
| 248 | I | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 116.8 | -168.1 | -57.1 | 177.9 | 0 | 0 | 0 | 109.4 | V208 M209 M211 R312 F314 I677 L691 | V208-I248 HydrophobicContact CG1-CD1 4.46Å; M209-I248 PolarHBondContact O-N 2.9Å; M211-I248 PolarHBondContact N-O 2.74Å; I248-R312 HydrophobicContact CG1-CB 4.47Å; I248-R312 HydrophobicContact CG2-CB 4.07Å; I248-R312 VanDerWaalsContact CG2-O 3.27Å; I248-R312 WeakPolarHBondContact CG2-O 3.41Å; I248-F314 HydrophobicContact CG2-CD1 4.05Å; I248-F314 HydrophobicContact CG2-CE1 4.24Å; I248-I677 HydrophobicContact CD1-CB 3.93Å; I248-I677 HydrophobicContact CD1-CD1 4.19Å; I248-I677 HydrophobicContact CD1-CG1 4.23Å; I248-I677 HydrophobicContact CG2-CB 4.35Å; I248-I677 HydrophobicContact CG2-CG2 3.97Å; I248-L691 HydrophobicContact CD1-CD2 4.49Å |
| 249 | P | 96 | Very high | 90.6 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -83 | 159.9 | 176 | 35 | -33.3 | 0 | 0 | 0 | 111.2 | M211 W247 C308 N309 W310 C313 F314 | M211-P249 HydrophobicContact CE-CB 4.17Å; W247-P249 WeakPolarHBondContact O-CD 3.38Å; P249-C308 HydrophobicContact CB-CB 4.06Å; P249-C308 HydrophobicContact CG-CB 3.87Å; P249-N309 WeakPolarHBondContact CD-O 3.48Å; P249-W310 HydrophobicContact CB-CE3 4.09Å; P249-W310 HydrophobicContact CB-CH2 4.37Å; P249-W310 HydrophobicContact CB-CZ3 3.83Å; P249-W310 HydrophobicContact CG-CD2 4.15Å; P249-W310 HydrophobicContact CG-CE3 3.58Å; P249-W310 HydrophobicContact CG-CZ3 3.88Å; P249-C313 HydrophobicContact CG-CB 4.03Å; P249-C313 VanDerWaalsContact O-CA 3.31Å; P249-C313 WeakPolarHBondContact O-CA 3.38Å; P249-F314 VanDerWaalsContact O-CD1 3.3Å; P249-F314 WeakPolarHBondContact O-CD1 3.46Å; P249-F314 PolarHBondContact O-N 2.48Å | ||
| 250 | G | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.9 | 179.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P213 P214 F314 | P213-G250 WeakPolarHBondContact CA-O 3.5Å; P213-G250 WeakPolarHBondContact CB-O 3.3Å; P214-G250 WeakPolarHBondContact CD-O 3.17Å; G250-F314 CarbonylContact C-O 3.5Å; G250-F314 WeakPolarHBondContact CA-O 3.37Å |
| 251 | F | 96.7 | Very high | 90.4 | Very high | 12 Ų | 12 | 16.9 Ų | 16.9 | 5% | 0.053 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 143.6 | -176.8 | -55.5 | -79.9 | 0 | 0 | 0 | 111.9 | P214 V216 M294 M297 R298 M301 F314 Y315 T316 | P214-F251 HydrophobicContact CG-CD1 4.1Å; P214-F251 HydrophobicContact CG-CE1 4.46Å; V216-F251 HydrophobicContact CG1-CB 4.22Å; F251-M294 HydrophobicContact CB-CG 3.94Å; F251-M294 HydrophobicContact CB-SD 3.87Å; F251-M294 HydrophobicContact CD1-CB 4.49Å; F251-M294 HydrophobicContact CD1-CG 4Å; F251-M294 HydrophobicContact CD2-CB 4.26Å; F251-M294 HydrophobicContact CD2-CG 3.84Å; F251-M294 HydrophobicContact CD2-SD 3.78Å; F251-M294 HydrophobicContact CE1-CG 4.5Å; F251-M294 HydrophobicContact CE2-CB 4.27Å; F251-M294 HydrophobicContact CE2-CG 4.34Å; F251-M294 HydrophobicContact CG-CB 4.38Å; F251-M294 HydrophobicContact CG-CG 3.65Å; F251-M294 HydrophobicContact CG-SD 3.93Å; F251-M294 HydrophobicContact CZ-CB 4.4Å; F251-M297 HydrophobicContact CD1-CE 3.85Å; F251-M297 HydrophobicContact CE1-CB 3.84Å; F251-M297 HydrophobicContact CE1-CE 4.29Å; F251-R298 HydrophobicContact CZ-CB 4.27Å; F251-M301 HydrophobicContact CE1-CE 4.12Å; F251-F314 PolarHBondContact N-O 3.19Å; F251-Y315 HydrophobicContact CB-CD2 3.89Å; F251-Y315 WeakPolarHBondContact O-CD2 3.43Å; F251-T316 PolarHBondContact O-N 3.49Å; F251-T316 PolarHBondContact O-OG1 2.77Å |
| 252 | D | 95.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 14.6 Ų | 14.6 | 2% | 0.021 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -105.1 | 130.7 | -179.5 | -160.1 | -70.3 | 0 | 0 | 0 | 110.7 | P213 P214 V216 A254 T316 T666 S670 | P213-D252 HydrophobicContact CB-CB 4.11Å; P213-D252 HydrophobicContact CG-CB 4.03Å; P214-D252 PolarHBondContact O-N 3.42Å; V216-D252 WeakPolarHBondContact CG2-O 3.17Å; V216-D252 PolarHBondContact N-O 3.09Å; D252-A254 PolarHBondContact O-N 3.11Å; D252-A254 VanDerWaalsContact OD1-CA 3.31Å; D252-A254 WeakPolarHBondContact OD1-CA 3.49Å; D252-A254 PolarHBondContact OD1-N 3.1Å; D252-T316 WeakPolarHBondContact CA-OG1 3.43Å; D252-T666 PolarHBondContact OD1-OG1 2.96Å; D252-S670 WeakPolarHBondContact OD2-CB 3.12Å; D252-S670 PolarHBondContact OD2-OG 2.94Å |
| 253 | H | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -69.1 | -19.5 | 179.6 | 75.3 | -73.1 | 0 | 0 | 0 | 112.8 | G255 T258 Y315 T316 L317 W598 T666 S669 | H253-G255 PolarHBondContact CD2-N 3.33Å; H253-G255 PolarHBondContact NE2-N 3.37Å; H253-G255 PolarHBondContact O-N 3.38Å; H253-G255 VanDerWaalsContact O-N 3.07Å; H253-T258 VanDerWaalsContact O-CB 3.26Å; H253-T258 WeakPolarHBondContact O-CB 3.39Å; H253-T258 PolarHBondContact O-OG1 3.36Å; H253-Y315 HydrophobicContact CB-CE2 3.81Å; H253-Y315 WeakPolarHBondContact CB-OH 3.25Å; H253-T316 PolarHBondContact N-OG1 2.9Å; H253-T316 PolarHBondContact ND1-OG1 3.47Å; H253-L317 HydrophobicContact CB-CB 4.4Å; H253-L317 HydrophobicContact CB-CD1 3.41Å; H253-L317 VanDerWaalsContact CB-CD1 3.41Å; H253-L317 HydrophobicContact CB-CG 3.67Å; H253-W598 PolarHBondContact O-NE1 3.33Å; H253-W598 VanDerWaalsContact O-NE1 3.11Å; H253-T666 PolarHBondContact CE1-OG1 2.6Å; H253-T666 PolarHBondContact NE2-OG1 3.1Å; H253-S669 PolarHBondContact CE1-OG 3Å | ||
| 254 | A | 91 | Very high | 91.2 | Very high | 3 Ų | 3 | 20 Ų | 20 | 3% | 0.025 | 10% | 0.103 | C | C | . | . | trans | 56 | 20.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N215 T217 D252 L256 A257 | N215-A254 HydrophobicContact CB-CB 3.6Å; T217-A254 HydrophobicContact CG2-CB 4.12Å; D252-A254 PolarHBondContact O-N 3.11Å; D252-A254 VanDerWaalsContact OD1-CA 3.31Å; D252-A254 WeakPolarHBondContact OD1-CA 3.49Å; D252-A254 PolarHBondContact OD1-N 3.1Å; A254-L256 PolarHBondContact O-N 2.9Å; A254-A257 HydrophobicContact CB-CB 4.27Å; A254-A257 WeakPolarHBondContact O-CB 3.38Å; A254-A257 PolarHBondContact O-N 3.49Å | ||
| 255 | G | 90 | Very high | 91.4 | Very high | 5 Ų | 5 | 21 Ų | 21 | 5% | 0.052 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | 32.5 | -116.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | H253 A257 T258 Q259 | H253-G255 PolarHBondContact CD2-N 3.33Å; H253-G255 PolarHBondContact NE2-N 3.37Å; H253-G255 PolarHBondContact O-N 3.38Å; H253-G255 VanDerWaalsContact O-N 3.07Å; G255-A257 PolarHBondContact O-N 2.97Å; G255-A257 VanDerWaalsContact O-N 3.15Å; G255-T258 PolarHBondContact O-N 3.08Å; G255-T258 VanDerWaalsContact O-N 3.14Å; G255-Q259 PolarHBondContact O-N 2.96Å |
| 256 | L | 85 | Confident | 91.5 | Very high | 10 Ų | 10 | 21.5 Ų | 21.5 | 5% | 0.052 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.8 | -26.8 | -176.2 | -179.6 | 63.9 | 0 | 0 | 0 | 114.1 | A254 L260 L351 I355 R538 | A254-L256 PolarHBondContact O-N 2.9Å; L256-L260 HydrophobicContact CD1-CG 4.36Å; L256-L260 HydrophobicContact CG-CD1 4.26Å; L256-L260 VanDerWaalsContact O-CG 3.3Å; L256-L260 WeakPolarHBondContact O-CG 3.13Å; L256-L260 PolarHBondContact O-N 3.24Å; L256-L351 HydrophobicContact CD2-CD1 3.88Å; L256-I355 HydrophobicContact CD2-CD1 4.16Å; L256-R538 VanDerWaalsContact CB-NH1 3.31Å |
| 257 | A | 85.9 | Confident | 91.5 | Very high | 24 Ų | 24 | 26.4 Ų | 26.4 | 20% | 0.198 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.5 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T217 A254 G255 V261 | T217-A257 HydrophobicContact CG2-CB 3.79Å; A254-A257 HydrophobicContact CB-CB 4.27Å; A254-A257 WeakPolarHBondContact O-CB 3.38Å; A254-A257 PolarHBondContact O-N 3.49Å; G255-A257 PolarHBondContact O-N 2.97Å; G255-A257 VanDerWaalsContact O-N 3.15Å; A257-V261 WeakPolarHBondContact O-CG2 3.5Å; A257-V261 PolarHBondContact O-N 2.76Å |
| 258 | T | 91.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67 | -45 | 175 | -63.3 | 0 | 0 | 0 | 0 | 110.5 | V216 H253 G255 L260 V261 V262 | V216-T258 HydrophobicContact CG2-CG2 3.99Å; V216-T258 WeakPolarHBondContact CG2-OG1 3.1Å; H253-T258 VanDerWaalsContact O-CB 3.26Å; H253-T258 WeakPolarHBondContact O-CB 3.39Å; H253-T258 PolarHBondContact O-OG1 3.36Å; G255-T258 PolarHBondContact O-N 3.08Å; G255-T258 VanDerWaalsContact O-N 3.14Å; T258-L260 VanDerWaalsContact C-N 3.32Å; T258-L260 PolarHBondContact O-N 2.81Å; T258-V261 PolarHBondContact O-N 3.1Å; T258-V261 VanDerWaalsContact O-N 3.15Å; T258-V262 HydrophobicContact CG2-CG2 4.17Å; T258-V262 WeakPolarHBondContact O-CG2 3.17Å; T258-V262 PolarHBondContact O-N 3.04Å |
| 259 | Q | 91 | Very high | 91.1 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -52.9 | -48.8 | 176.4 | 170.6 | 167.3 | -39.4 | 0 | 0 | 111.6 | G255 V261 V262 E263 F282 S596 W598 | G255-Q259 PolarHBondContact O-N 2.96Å; Q259-V261 VanDerWaalsContact C-N 3.34Å; Q259-V261 PolarHBondContact O-N 2.78Å; Q259-V262 PolarHBondContact O-N 2.88Å; Q259-E263 HydrophobicContact CG-CG 4.34Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.44Å; Q259-E263 PolarHBondContact NE2-OE1 3.46Å; Q259-E263 WeakPolarHBondContact O-CB 3.46Å; Q259-E263 VanDerWaalsContact O-CG 3.32Å; Q259-E263 WeakPolarHBondContact O-CG 3.38Å; Q259-E263 PolarHBondContact O-N 3.46Å; Q259-F282 HydrophobicContact CB-CE1 4.29Å; Q259-F282 HydrophobicContact CB-CZ 4.41Å; Q259-F282 HydrophobicContact CG-CE1 3.67Å; Q259-F282 HydrophobicContact CG-CZ 3.71Å; Q259-S596 PolarHBondContact OE1-OG 2.64Å; Q259-W598 HydrophobicContact CB-CB 4.19Å |
| 260 | L | 87.4 | Confident | 90.8 | Very high | 51 Ų | 51 | 40.7 Ų | 40.7 | 27% | 0.267 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.2 | -37.4 | -179.5 | -71.8 | 168.3 | 0 | 0 | 0 | 113.6 | L256 T258 K264 L351 | L256-L260 HydrophobicContact CD1-CG 4.36Å; L256-L260 HydrophobicContact CG-CD1 4.26Å; L256-L260 VanDerWaalsContact O-CG 3.3Å; L256-L260 WeakPolarHBondContact O-CG 3.13Å; L256-L260 PolarHBondContact O-N 3.24Å; T258-L260 VanDerWaalsContact C-N 3.32Å; T258-L260 PolarHBondContact O-N 2.81Å; L260-K264 WeakPolarHBondContact O-CB 3.38Å; L260-K264 PolarHBondContact O-N 2.78Å; L260-L351 HydrophobicContact CD1-CD2 3.73Å; L260-L351 HydrophobicContact CD2-CD2 3.4Å; L260-L351 HydrophobicContact CG-CD2 4.08Å |
| 261 | V | 89.5 | Confident | 90.4 | Very high | 51 Ų | 51 | 43 Ų | 43 | 31% | 0.309 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.9 | -40.1 | 177.5 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | A257 T258 Q259 K264 H265 W289 | A257-V261 WeakPolarHBondContact O-CG2 3.5Å; A257-V261 PolarHBondContact O-N 2.76Å; T258-V261 PolarHBondContact O-N 3.1Å; T258-V261 VanDerWaalsContact O-N 3.15Å; Q259-V261 VanDerWaalsContact C-N 3.34Å; Q259-V261 PolarHBondContact O-N 2.78Å; V261-K264 PolarHBondContact O-N 2.92Å; V261-H265 WeakPolarHBondContact O-CB 3.13Å; V261-H265 PolarHBondContact O-N 2.97Å; V261-W289 HydrophobicContact CB-CZ2 4.45Å; V261-W289 HydrophobicContact CG1-CH2 3.62Å; V261-W289 HydrophobicContact CG1-CZ2 3.31Å |
| 262 | V | 92.2 | Very high | 90 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.8 | -43.4 | 176.8 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | T258 Q259 K264 H265 L266 F282 A285 W289 | T258-V262 HydrophobicContact CG2-CG2 4.17Å; T258-V262 WeakPolarHBondContact O-CG2 3.17Å; T258-V262 PolarHBondContact O-N 3.04Å; Q259-V262 PolarHBondContact O-N 2.88Å; V262-K264 VanDerWaalsContact C-N 3.34Å; V262-K264 PolarHBondContact O-N 3.01Å; V262-H265 WeakPolarHBondContact O-CB 3.46Å; V262-H265 PolarHBondContact O-N 3.13Å; V262-H265 VanDerWaalsContact O-N 3.16Å; V262-L266 HydrophobicContact CG1-CD1 3.86Å; V262-L266 HydrophobicContact CG1-CG 4.22Å; V262-L266 WeakPolarHBondContact O-CB 3.33Å; V262-L266 WeakPolarHBondContact O-CG 3.44Å; V262-L266 PolarHBondContact O-N 2.78Å; V262-F282 HydrophobicContact CB-CZ 4.42Å; V262-F282 HydrophobicContact CG1-CE2 4.12Å; V262-F282 HydrophobicContact CG1-CZ 4.22Å; V262-A285 HydrophobicContact CG1-CB 4.33Å; V262-W289 HydrophobicContact CG2-CB 3.83Å; V262-W289 HydrophobicContact CG2-CD2 3.87Å; V262-W289 HydrophobicContact CG2-CE3 4.45Å; V262-W289 HydrophobicContact CG2-CG 3.56Å |
| 263 | E | 90.6 | Very high | 89.5 | Confident | 45 Ų | 45 | 48.3 Ų | 48.3 | 21% | 0.21 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.8 | -47.6 | 173.8 | -74.1 | -176.9 | -146.9 | 0 | 0 | 111.6 | Q259 H265 F267 R274 F282 | Q259-E263 HydrophobicContact CG-CG 4.34Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.44Å; Q259-E263 PolarHBondContact NE2-OE1 3.46Å; Q259-E263 WeakPolarHBondContact O-CB 3.46Å; Q259-E263 VanDerWaalsContact O-CG 3.32Å; Q259-E263 WeakPolarHBondContact O-CG 3.38Å; Q259-E263 PolarHBondContact O-N 3.46Å; E263-H265 VanDerWaalsContact C-N 3.32Å; E263-H265 PolarHBondContact O-N 3.29Å; E263-F267 WeakPolarHBondContact O-CB 3.35Å; E263-F267 PolarHBondContact O-N 3.25Å; E263-R274 HydrophobicContact CG-CB 4.01Å; E263-R274 WeakPolarHBondContact OE1-CD 3.42Å; E263-R274 IonicContact OE1-CZ 3.38Å; E263-R274 IonicContact OE1-NE 2.72Å; E263-R274 PolarHBondContact OE1-NE 3.33Å; E263-R274 IonicContact OE1-NH2 3.61Å; E263-R274 IonicContact OE2-NE 2.61Å; E263-F282 HydrophobicContact CG-CE2 3.69Å; E263-F282 HydrophobicContact CG-CZ 3.7Å |
| 264 | K | 88.4 | Confident | 89 | Confident | 142 Ų | 142 | 50.5 Ų | 50.5 | 62% | 0.617 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64.9 | -37.6 | 177.3 | -174.6 | 175 | -178.7 | 177.3 | 0 | 112 | L260 V261 V262 N268 | L260-K264 WeakPolarHBondContact O-CB 3.38Å; L260-K264 PolarHBondContact O-N 2.78Å; V261-K264 PolarHBondContact O-N 2.92Å; V262-K264 VanDerWaalsContact C-N 3.34Å; V262-K264 PolarHBondContact O-N 3.01Å; K264-N268 WeakPolarHBondContact O-CB 3.48Å; K264-N268 PolarHBondContact O-N 3.44Å; K264-N268 VanDerWaalsContact O-N 3.08Å; K264-N268 PolarHBondContact O-ND2 2.77Å |
| 265 | H | 90.9 | Very high | 88.6 | Confident | 83 Ų | 83 | 58.4 Ų | 58.4 | 38% | 0.384 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.8 | -54.4 | 176.9 | 178.6 | 59.5 | 0 | 0 | 0 | 110.8 | V261 V262 E263 F267 N268 S269 W289 | V261-H265 WeakPolarHBondContact O-CB 3.13Å; V261-H265 PolarHBondContact O-N 2.97Å; V262-H265 WeakPolarHBondContact O-CB 3.46Å; V262-H265 PolarHBondContact O-N 3.13Å; V262-H265 VanDerWaalsContact O-N 3.16Å; E263-H265 VanDerWaalsContact C-N 3.32Å; E263-H265 PolarHBondContact O-N 3.29Å; H265-F267 VanDerWaalsContact C-N 3.3Å; H265-F267 PolarHBondContact O-N 3.09Å; H265-N268 PolarHBondContact O-N 3.24Å; H265-N268 VanDerWaalsContact O-N 3.08Å; H265-S269 WeakPolarHBondContact O-CB 3.38Å; H265-S269 PolarHBondContact O-N 2.81Å; H265-S269 PolarHBondContact O-OG 3.29Å; H265-W289 HydrophobicContact CB-CE3 4.4Å; H265-W289 HydrophobicContact CB-CH2 4.45Å; H265-W289 HydrophobicContact CB-CZ3 3.81Å; H265-W289 AromaticContact CD2-CE3 3.84Å; H265-W289 AromaticContact CD2-CZ3 3.69Å; H265-W289 AromaticContact CG-CZ3 3.54Å; H265-W289 AromaticContact ND1-CZ3 3.97Å |
| 266 | L | 92.4 | Very high | 88.5 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.6 | -40 | 178.9 | -69.6 | 172.9 | 0 | 0 | 0 | 112.3 | V262 E270 G271 L272 M277 F282 A285 | V262-L266 HydrophobicContact CG1-CD1 3.86Å; V262-L266 HydrophobicContact CG1-CG 4.22Å; V262-L266 WeakPolarHBondContact O-CB 3.33Å; V262-L266 WeakPolarHBondContact O-CG 3.44Å; V262-L266 PolarHBondContact O-N 2.78Å; L266-E270 CarbonylContact O-C 3.53Å; L266-E270 WeakPolarHBondContact O-CA 3.1Å; L266-E270 WeakPolarHBondContact O-CB 3.36Å; L266-E270 PolarHBondContact O-N 3.15Å; L266-G271 PolarHBondContact O-N 2.82Å; L266-G271 VanDerWaalsContact O-N 3.11Å; L266-L272 PolarHBondContact O-N 3.24Å; L266-M277 HydrophobicContact CD1-CE 4.13Å; L266-M277 HydrophobicContact CD1-SD 3.91Å; L266-F282 HydrophobicContact CD1-CD2 4.24Å; L266-F282 HydrophobicContact CD1-CE2 4.13Å; L266-A285 HydrophobicContact CD1-CB 4.17Å |
| 267 | F | 89.7 | Confident | 88.8 | Confident | 107 Ų | 107 | 64.8 Ų | 64.8 | 47% | 0.469 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 175.3 | -177.4 | -104.5 | 0 | 0 | 0 | 112 | E263 H265 G271 L272 L273 | E263-F267 WeakPolarHBondContact O-CB 3.35Å; E263-F267 PolarHBondContact O-N 3.25Å; H265-F267 VanDerWaalsContact C-N 3.3Å; H265-F267 PolarHBondContact O-N 3.09Å; F267-G271 WeakPolarHBondContact O-CA 3.16Å; F267-G271 PolarHBondContact O-N 2.74Å; F267-L272 WeakPolarHBondContact CA-O 3.44Å; F267-L272 PolarHBondContact N-O 3.15Å; F267-L273 HydrophobicContact CD2-CD2 3.54Å; F267-L273 HydrophobicContact CD2-CG 4.12Å; F267-L273 HydrophobicContact CE2-CD2 3.9Å; F267-L273 HydrophobicContact CE2-CG 4.38Å; F267-L273 HydrophobicContact CG-CD2 4.41Å |
| 268 | N | 89.5 | Confident | 89 | Confident | 115 Ų | 115 | 66.2 Ų | 66.2 | 62% | 0.615 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -75.7 | -31.8 | -178.7 | -70.5 | -18.5 | 0 | 0 | 0 | 113.6 | K264 H265 | K264-N268 WeakPolarHBondContact O-CB 3.48Å; K264-N268 PolarHBondContact O-N 3.44Å; K264-N268 VanDerWaalsContact O-N 3.08Å; K264-N268 PolarHBondContact O-ND2 2.77Å; H265-N268 PolarHBondContact O-N 3.24Å; H265-N268 VanDerWaalsContact O-N 3.08Å |
| 269 | S | 90.7 | Very high | 88.9 | Confident | 65 Ų | 65 | 68.4 Ų | 68.4 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -89.6 | -38.9 | -178.2 | 57.9 | 0 | 0 | 0 | 0 | 113 | H265 | H265-S269 WeakPolarHBondContact O-CB 3.38Å; H265-S269 PolarHBondContact O-N 2.81Å; H265-S269 PolarHBondContact O-OG 3.29Å |
| 270 | E | 90.2 | Very high | 88.9 | Confident | 123 Ų | 123 | 74.4 Ų | 74.4 | 58% | 0.575 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -125.5 | -7 | -168.5 | -64.8 | 170.8 | -146.1 | 0 | 0 | 113.1 | L266 L272 | L266-E270 CarbonylContact O-C 3.53Å; L266-E270 WeakPolarHBondContact O-CA 3.1Å; L266-E270 WeakPolarHBondContact O-CB 3.36Å; L266-E270 PolarHBondContact O-N 3.15Å; E270-L272 HydrophobicContact CB-CD1 4.12Å; E270-L272 HydrophobicContact CB-CG 4.04Å; E270-L272 PolarHBondContact O-N 2.76Å; E270-L272 VanDerWaalsContact OE2-CD1 3.29Å; E270-L272 WeakPolarHBondContact OE2-CD1 3.4Å |
| 271 | G | 87.1 | Confident | 89.1 | Confident | 48 Ų | 48 | 76.4 Ų | 76.4 | 50% | 0.495 | 39% | 0.391 | S | S | . | . | trans | 70 | 10.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | L266 F267 | L266-G271 PolarHBondContact O-N 2.82Å; L266-G271 VanDerWaalsContact O-N 3.11Å; F267-G271 WeakPolarHBondContact O-CA 3.16Å; F267-G271 PolarHBondContact O-N 2.74Å | ||
| 272 | L | 87.3 | Confident | 89.3 | Confident | 63 Ų | 63 | 74 Ų | 74 | 33% | 0.33 | 38% | 0.376 | S | S | . | . | trans | -82.6 | 137.4 | -177.9 | -68.6 | 175.8 | 0 | 0 | 0 | 111.5 | L266 F267 E270 M277 | L266-L272 PolarHBondContact O-N 3.24Å; F267-L272 WeakPolarHBondContact CA-O 3.44Å; F267-L272 PolarHBondContact N-O 3.15Å; E270-L272 HydrophobicContact CB-CD1 4.12Å; E270-L272 HydrophobicContact CB-CG 4.04Å; E270-L272 PolarHBondContact O-N 2.76Å; E270-L272 VanDerWaalsContact OE2-CD1 3.29Å; E270-L272 WeakPolarHBondContact OE2-CD1 3.4Å; L272-M277 HydrophobicContact CB-SD 4.47Å | ||
| 273 | L | 84.5 | Confident | 89.3 | Confident | 65 Ų | 65 | 75 Ų | 75 | 34% | 0.34 | 38% | 0.382 | S | S | . | . | trans | -106 | 140.3 | 171.3 | -66.5 | 168.7 | 0 | 0 | 0 | 108.8 | F267 K275 N276 | F267-L273 HydrophobicContact CD2-CD2 3.54Å; F267-L273 HydrophobicContact CD2-CG 4.12Å; F267-L273 HydrophobicContact CE2-CD2 3.9Å; F267-L273 HydrophobicContact CE2-CG 4.38Å; F267-L273 HydrophobicContact CG-CD2 4.41Å; L273-K275 HydrophobicContact CB-CG 3.97Å; L273-K275 PolarHBondContact O-N 2.9Å; L273-K275 VanDerWaalsContact O-N 3.1Å; L273-N276 WeakPolarHBondContact O-CA 3.17Å; L273-N276 WeakPolarHBondContact O-CB 3.5Å; L273-N276 PolarHBondContact O-N 2.81Å | ||
| 274 | R | 84.9 | Confident | 89.5 | Confident | 45 Ų | 45 | 76.1 Ų | 76.1 | 17% | 0.17 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -50.1 | -39.5 | 179 | 178.4 | 175.8 | 59.3 | 128.2 | -2.6 | 113.4 | E263 N276 M277 F282 W597 | E263-R274 HydrophobicContact CG-CB 4.01Å; E263-R274 WeakPolarHBondContact OE1-CD 3.42Å; E263-R274 IonicContact OE1-CZ 3.38Å; E263-R274 IonicContact OE1-NE 2.72Å; E263-R274 PolarHBondContact OE1-NE 3.33Å; E263-R274 IonicContact OE1-NH2 3.61Å; E263-R274 IonicContact OE2-NE 2.61Å; R274-N276 PolarHBondContact O-N 3.07Å; R274-N276 VanDerWaalsContact O-N 3.14Å; R274-M277 PolarHBondContact O-N 2.76Å; R274-F282 HydrophobicContact CB-CD2 4.37Å; R274-F282 HydrophobicContact CB-CE2 4.34Å; R274-F282 HydrophobicContact CG-CD2 4.05Å; R274-F282 HydrophobicContact CG-CE2 4.24Å; R274-F282 HydrophobicContact CG-CG 4.27Å; R274-W597 HydrophobicContact CG-CE3 3.66Å; R274-W597 HydrophobicContact CG-CH2 4.05Å; R274-W597 HydrophobicContact CG-CZ3 3.4Å; R274-W597 VanDerWaalsContact CG-CZ3 3.4Å |
| 275 | K | 81.7 | Confident | 89.8 | Confident | 170 Ų | 170 | 70.5 Ų | 70.5 | 74% | 0.739 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -61.7 | -18 | 178.1 | 60.1 | 171 | -178.9 | -179.4 | 0 | 114.4 | L273 | L273-K275 HydrophobicContact CB-CG 3.97Å; L273-K275 PolarHBondContact O-N 2.9Å; L273-K275 VanDerWaalsContact O-N 3.1Å |
| 276 | N | 88.3 | Confident | 89.9 | Confident | 112 Ų | 112 | 66.6 Ų | 66.6 | 60% | 0.599 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -97.6 | 7 | 177.7 | -58.8 | -14.4 | 0 | 0 | 0 | 112.1 | L273 R274 | L273-N276 WeakPolarHBondContact O-CA 3.17Å; L273-N276 WeakPolarHBondContact O-CB 3.5Å; L273-N276 PolarHBondContact O-N 2.81Å; R274-N276 PolarHBondContact O-N 3.07Å; R274-N276 VanDerWaalsContact O-N 3.14Å |
| 277 | M | 90.4 | Very high | 90 | Very high | 36 Ų | 36 | 70.6 Ų | 70.6 | 18% | 0.177 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -117.7 | 154.5 | -178.2 | -59.6 | 177.8 | 71.6 | 0 | 0 | 110.6 | L266 L272 R274 D281 F282 | L266-M277 HydrophobicContact CD1-CE 4.13Å; L266-M277 HydrophobicContact CD1-SD 3.91Å; L272-M277 HydrophobicContact CB-SD 4.47Å; R274-M277 PolarHBondContact O-N 2.76Å; M277-D281 HydrophobicContact CE-CB 4.17Å; M277-F282 HydrophobicContact CE-CB 4.46Å; M277-F282 HydrophobicContact CE-CD2 4.46Å; M277-F282 HydrophobicContact SD-CD2 4.09Å |
| 278 | S | 90.8 | Very high | 90.2 | Very high | 54 Ų | 54 | 72.1 Ų | 72.1 | 38% | 0.378 | 38% | 0.379 | S | S | . | . | trans | -73 | 156.5 | 165.6 | 81.6 | 0 | 0 | 0 | 0 | 110.4 | Q280 D281 F282 | S278-Q280 PolarHBondContact O-N 2.93Å; S278-D281 WeakPolarHBondContact CB-OD2 3.44Å; S278-D281 PolarHBondContact O-N 3.2Å; S278-D281 PolarHBondContact OG-N 2.9Å; S278-D281 VanDerWaalsContact OG-N 3.11Å; S278-D281 PolarHBondContact OG-OD2 3.35Å; S278-F282 PolarHBondContact O-N 3.35Å; S278-F282 VanDerWaalsContact O-N 3.1Å | ||
| 279 | R | 88.8 | Confident | 90.5 | Very high | 46 Ų | 46 | 67.7 Ų | 67.7 | 17% | 0.174 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.1 | -40.4 | 174.1 | -178.5 | 175.9 | -176.9 | 156.5 | 9.4 | 111.1 | F282 V283 W597 E661 | R279-F282 PolarHBondContact O-N 3.02Å; R279-V283 HydrophobicContact CG-CG2 4.31Å; R279-V283 WeakPolarHBondContact O-CB 3.44Å; R279-V283 VanDerWaalsContact O-CG2 3.24Å; R279-V283 WeakPolarHBondContact O-CG2 3.47Å; R279-V283 PolarHBondContact O-N 3.48Å; R279-W597 HydrophobicContact CB-CD2 4.2Å; R279-W597 HydrophobicContact CB-CE3 4.28Å; R279-W597 HydrophobicContact CG-CB 4.09Å; R279-W597 HydrophobicContact CG-CD2 4.11Å; R279-W597 HydrophobicContact CG-CE3 4.47Å; R279-W597 HydrophobicContact CG-CG 3.94Å; R279-E661 IonicContact CZ-OE2 3.86Å; R279-E661 PolarHBondContact NH1-O 3.15Å; R279-E661 IonicContact NH1-OE2 2.89Å; R279-E661 PolarHBondContact NH1-OE2 3.26Å; R279-E661 PolarHBondContact NH2-O 2.91Å |
| 280 | Q | 90.5 | Very high | 90.7 | Very high | 127 Ų | 127 | 64.7 Ų | 64.7 | 59% | 0.593 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.5 | -50.2 | -178.8 | -171.7 | 61 | 35.4 | 0 | 0 | 111.2 | S278 F282 V283 T284 | S278-Q280 PolarHBondContact O-N 2.93Å; Q280-F282 VanDerWaalsContact C-N 3.26Å; Q280-F282 PolarHBondContact O-N 3.47Å; Q280-V283 PolarHBondContact O-N 3.27Å; Q280-T284 PolarHBondContact O-N 3.33Å; Q280-T284 PolarHBondContact O-OG1 2.88Å |
| 281 | D | 92.7 | Very high | 90.9 | Very high | 93 Ų | 93 | 62 Ų | 62 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.7 | -40 | 179.6 | -57.6 | -38.3 | 0 | 0 | 0 | 111.4 | M277 S278 T284 A285 | M277-D281 HydrophobicContact CE-CB 4.17Å; S278-D281 WeakPolarHBondContact CB-OD2 3.44Å; S278-D281 PolarHBondContact O-N 3.2Å; S278-D281 PolarHBondContact OG-N 2.9Å; S278-D281 VanDerWaalsContact OG-N 3.11Å; S278-D281 PolarHBondContact OG-OD2 3.35Å; D281-T284 PolarHBondContact O-N 3.15Å; D281-A285 PolarHBondContact O-N 2.99Å |
| 282 | F | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 178.1 | -173.1 | -97 | 0 | 0 | 0 | 112.5 | Q259 V262 E263 L266 R274 M277 S278 R279 Q280 T284 A285 C286 W597 | Q259-F282 HydrophobicContact CB-CE1 4.29Å; Q259-F282 HydrophobicContact CB-CZ 4.41Å; Q259-F282 HydrophobicContact CG-CE1 3.67Å; Q259-F282 HydrophobicContact CG-CZ 3.71Å; V262-F282 HydrophobicContact CB-CZ 4.42Å; V262-F282 HydrophobicContact CG1-CE2 4.12Å; V262-F282 HydrophobicContact CG1-CZ 4.22Å; E263-F282 HydrophobicContact CG-CE2 3.69Å; E263-F282 HydrophobicContact CG-CZ 3.7Å; L266-F282 HydrophobicContact CD1-CD2 4.24Å; L266-F282 HydrophobicContact CD1-CE2 4.13Å; R274-F282 HydrophobicContact CB-CD2 4.37Å; R274-F282 HydrophobicContact CB-CE2 4.34Å; R274-F282 HydrophobicContact CG-CD2 4.05Å; R274-F282 HydrophobicContact CG-CE2 4.24Å; R274-F282 HydrophobicContact CG-CG 4.27Å; M277-F282 HydrophobicContact CE-CB 4.46Å; M277-F282 HydrophobicContact CE-CD2 4.46Å; M277-F282 HydrophobicContact SD-CD2 4.09Å; S278-F282 PolarHBondContact O-N 3.35Å; S278-F282 VanDerWaalsContact O-N 3.1Å; R279-F282 PolarHBondContact O-N 3.02Å; Q280-F282 VanDerWaalsContact C-N 3.26Å; Q280-F282 PolarHBondContact O-N 3.47Å; F282-T284 VanDerWaalsContact C-N 3.35Å; F282-A285 WeakPolarHBondContact O-CB 3.44Å; F282-A285 PolarHBondContact O-N 3.47Å; F282-C286 VanDerWaalsContact CE1-SG 3.55Å; F282-C286 PolarHBondContact O-N 3.32Å; F282-W597 HydrophobicContact CB-CE3 3.91Å; F282-W597 HydrophobicContact CB-CZ3 4.22Å; F282-W597 HydrophobicContact CD1-CB 4.2Å; F282-W597 HydrophobicContact CD1-CE3 4.01Å; F282-W597 HydrophobicContact CG-CE3 4.03Å |
| 283 | V | 92.7 | Very high | 91.6 | Very high | 25 Ų | 25 | 63.5 Ų | 63.5 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 174.9 | 168.1 | 0 | 0 | 0 | 0 | 110.4 | R279 Q280 A285 C286 E287 W598 | R279-V283 HydrophobicContact CG-CG2 4.31Å; R279-V283 WeakPolarHBondContact O-CB 3.44Å; R279-V283 VanDerWaalsContact O-CG2 3.24Å; R279-V283 WeakPolarHBondContact O-CG2 3.47Å; R279-V283 PolarHBondContact O-N 3.48Å; Q280-V283 PolarHBondContact O-N 3.27Å; V283-A285 VanDerWaalsContact C-N 3.3Å; V283-A285 PolarHBondContact O-N 2.88Å; V283-C286 WeakPolarHBondContact O-CA 3.26Å; V283-C286 WeakPolarHBondContact O-CB 3.29Å; V283-C286 PolarHBondContact O-N 3Å; V283-C286 VanDerWaalsContact O-N 3.07Å; V283-E287 WeakPolarHBondContact O-CG 3.45Å; V283-E287 PolarHBondContact O-N 3.21Å; V283-W598 HydrophobicContact CG1-CE3 4.25Å; V283-W598 HydrophobicContact CG1-CZ3 4Å |
| 284 | T | 94.4 | Very high | 92.1 | Very high | 68 Ų | 68 | 62 Ų | 62 | 42% | 0.417 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.8 | -37.8 | 175.2 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | Q280 D281 F282 E287 K288 | Q280-T284 PolarHBondContact O-N 3.33Å; Q280-T284 PolarHBondContact O-OG1 2.88Å; D281-T284 PolarHBondContact O-N 3.15Å; F282-T284 VanDerWaalsContact C-N 3.35Å; T284-E287 PolarHBondContact O-N 2.93Å; T284-K288 PolarHBondContact O-N 3.24Å |
| 285 | A | 93.9 | Very high | 92.6 | Very high | 24 Ų | 24 | 65 Ų | 65 | 20% | 0.198 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V262 L266 D281 F282 V283 W289 | V262-A285 HydrophobicContact CG1-CB 4.33Å; L266-A285 HydrophobicContact CD1-CB 4.17Å; D281-A285 PolarHBondContact O-N 2.99Å; F282-A285 WeakPolarHBondContact O-CB 3.44Å; F282-A285 PolarHBondContact O-N 3.47Å; V283-A285 VanDerWaalsContact C-N 3.3Å; V283-A285 PolarHBondContact O-N 2.88Å; A285-W289 WeakPolarHBondContact O-CB 3.16Å; A285-W289 PolarHBondContact O-N 3.35Å |
| 286 | C | 94.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.4 | -37.2 | 174.7 | -72.5 | 0 | 0 | 0 | 0 | 113.1 | F282 V283 S290 W598 | F282-C286 VanDerWaalsContact CE1-SG 3.55Å; F282-C286 PolarHBondContact O-N 3.32Å; V283-C286 WeakPolarHBondContact O-CA 3.26Å; V283-C286 WeakPolarHBondContact O-CB 3.29Å; V283-C286 PolarHBondContact O-N 3Å; V283-C286 VanDerWaalsContact O-N 3.07Å; C286-S290 VanDerWaalsContact O-CB 3.29Å; C286-S290 WeakPolarHBondContact O-CB 3.43Å; C286-S290 PolarHBondContact O-N 3.33Å; C286-S290 PolarHBondContact O-OG 3.36Å; C286-W598 HydrophobicContact CB-CD2 3.52Å; C286-W598 HydrophobicContact CB-CE3 3.27Å; C286-W598 HydrophobicContact CB-CG 4.23Å; C286-W598 HydrophobicContact CB-CH2 3.76Å; C286-W598 HydrophobicContact CB-CZ2 3.97Å; C286-W598 HydrophobicContact CB-CZ3 3.41Å; C286-W598 VanDerWaalsContact CB-CZ3 3.41Å |
| 287 | E | 94.3 | Very high | 93.4 | Very high | 96 Ų | 96 | 53.3 Ų | 53.3 | 45% | 0.449 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.6 | -51 | 174.5 | -72.2 | 172.3 | 163.5 | 0 | 0 | 110.6 | V283 T284 W289 S290 S291 W598 | V283-E287 WeakPolarHBondContact O-CG 3.45Å; V283-E287 PolarHBondContact O-N 3.21Å; T284-E287 PolarHBondContact O-N 2.93Å; E287-W289 VanDerWaalsContact C-N 3.33Å; E287-W289 PolarHBondContact O-N 3.11Å; E287-S290 PolarHBondContact O-N 2.98Å; E287-S290 VanDerWaalsContact O-N 3.12Å; E287-S291 PolarHBondContact O-N 3.11Å; E287-S291 PolarHBondContact O-OG 2.81Å; E287-W598 HydrophobicContact CG-CH2 3.82Å; E287-W598 HydrophobicContact CG-CZ3 3.82Å |
| 288 | K | 94.3 | Very high | 93.6 | Very high | 139 Ų | 139 | 56.6 Ų | 56.6 | 60% | 0.604 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -55.6 | -49 | 176.4 | -178.2 | -178.4 | 175.3 | -173.1 | 0 | 111.4 | T284 S290 S291 E292 | T284-K288 PolarHBondContact O-N 3.24Å; K288-S290 VanDerWaalsContact C-N 3.34Å; K288-S290 PolarHBondContact O-N 3.44Å; K288-S291 PolarHBondContact O-N 3.28Å; K288-E292 VanDerWaalsContact CE-OE1 3.29Å; K288-E292 WeakPolarHBondContact CE-OE1 3.39Å; K288-E292 WeakPolarHBondContact O-CG 3.2Å; K288-E292 PolarHBondContact O-N 3.04Å; K288-E292 VanDerWaalsContact O-N 3.11Å |
| 289 | W | 94.9 | Very high | 93.7 | Very high | 23 Ų | 23 | 59.5 Ų | 59.5 | 9% | 0.087 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.9 | -47.7 | 176.1 | 173.7 | -83.5 | 0 | 0 | 0 | 111.8 | V216 V261 V262 H265 A285 E287 S291 E292 K293 | V216-W289 PolarHBondContact O-NE1 3.43Å; V261-W289 HydrophobicContact CB-CZ2 4.45Å; V261-W289 HydrophobicContact CG1-CH2 3.62Å; V261-W289 HydrophobicContact CG1-CZ2 3.31Å; V262-W289 HydrophobicContact CG2-CB 3.83Å; V262-W289 HydrophobicContact CG2-CD2 3.87Å; V262-W289 HydrophobicContact CG2-CE3 4.45Å; V262-W289 HydrophobicContact CG2-CG 3.56Å; H265-W289 HydrophobicContact CB-CE3 4.4Å; H265-W289 HydrophobicContact CB-CH2 4.45Å; H265-W289 HydrophobicContact CB-CZ3 3.81Å; H265-W289 AromaticContact CD2-CE3 3.84Å; H265-W289 AromaticContact CD2-CZ3 3.69Å; H265-W289 AromaticContact CG-CZ3 3.54Å; H265-W289 AromaticContact ND1-CZ3 3.97Å; A285-W289 WeakPolarHBondContact O-CB 3.16Å; A285-W289 PolarHBondContact O-N 3.35Å; E287-W289 VanDerWaalsContact C-N 3.33Å; E287-W289 PolarHBondContact O-N 3.11Å; W289-S291 PolarHBondContact O-N 3.4Å; W289-E292 PolarHBondContact O-N 3.4Å; W289-K293 HydrophobicContact CD2-CG 4.35Å; W289-K293 VanDerWaalsContact CE2-CE 3.46Å; W289-K293 HydrophobicContact CG-CG 4.46Å; W289-K293 VanDerWaalsContact CH2-CE 3.43Å; W289-K293 HydrophobicContact CZ2-CD 4.28Å; W289-K293 HydrophobicContact CZ2-CG 4.19Å; W289-K293 WeakPolarHBondContact O-CG 3.39Å; W289-K293 PolarHBondContact O-N 2.86Å |
| 290 | S | 95.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.3 | -45.6 | -178 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | C286 E287 K288 E292 K293 M294 Y315 W598 | C286-S290 VanDerWaalsContact O-CB 3.29Å; C286-S290 WeakPolarHBondContact O-CB 3.43Å; C286-S290 PolarHBondContact O-N 3.33Å; C286-S290 PolarHBondContact O-OG 3.36Å; E287-S290 PolarHBondContact O-N 2.98Å; E287-S290 VanDerWaalsContact O-N 3.12Å; K288-S290 VanDerWaalsContact C-N 3.34Å; K288-S290 PolarHBondContact O-N 3.44Å; S290-E292 PolarHBondContact O-N 3.08Å; S290-K293 PolarHBondContact O-N 2.96Å; S290-M294 WeakPolarHBondContact O-CB 3.32Å; S290-M294 VanDerWaalsContact O-CG 3.24Å; S290-M294 WeakPolarHBondContact O-CG 3.24Å; S290-M294 PolarHBondContact O-N 3.07Å; S290-Y315 PolarHBondContact OG-OH 3.17Å; S290-W598 WeakPolarHBondContact OG-CZ2 3.45Å |
| 291 | S | 94.6 | Very high | 94.1 | Very high | 66 Ų | 66 | 51.3 Ų | 51.3 | 46% | 0.462 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.5 | -49.2 | 175.4 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | E287 K288 W289 K293 M294 V295 | E287-S291 PolarHBondContact O-N 3.11Å; E287-S291 PolarHBondContact O-OG 2.81Å; K288-S291 PolarHBondContact O-N 3.28Å; W289-S291 PolarHBondContact O-N 3.4Å; S291-K293 PolarHBondContact O-N 3.35Å; S291-M294 PolarHBondContact O-N 2.93Å; S291-V295 WeakPolarHBondContact O-CG2 3.34Å; S291-V295 PolarHBondContact O-N 3.21Å; S291-V295 VanDerWaalsContact O-N 3.12Å |
| 292 | E | 94.3 | Very high | 94.2 | Very high | 97 Ų | 97 | 48.8 Ų | 48.8 | 45% | 0.453 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61 | -43.3 | 178.3 | -70.9 | 175 | -169.1 | 0 | 0 | 112.3 | K288 W289 S290 V295 A296 | K288-E292 VanDerWaalsContact CE-OE1 3.29Å; K288-E292 WeakPolarHBondContact CE-OE1 3.39Å; K288-E292 WeakPolarHBondContact O-CG 3.2Å; K288-E292 PolarHBondContact O-N 3.04Å; K288-E292 VanDerWaalsContact O-N 3.11Å; W289-E292 PolarHBondContact O-N 3.4Å; S290-E292 PolarHBondContact O-N 3.08Å; E292-V295 PolarHBondContact O-N 3.08Å; E292-A296 PolarHBondContact O-N 3.23Å; E292-A296 VanDerWaalsContact O-N 3.11Å |
| 293 | K | 94.6 | Very high | 94.1 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 20% | 0.2 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.3 | -37.1 | 179.4 | -62.5 | -42.5 | 175.9 | -156.4 | 0 | 112.5 | V216 W289 S290 S291 A296 M297 | V216-K293 HydrophobicContact CB-CB 4.48Å; W289-K293 HydrophobicContact CD2-CG 4.35Å; W289-K293 VanDerWaalsContact CE2-CE 3.46Å; W289-K293 HydrophobicContact CG-CG 4.46Å; W289-K293 VanDerWaalsContact CH2-CE 3.43Å; W289-K293 HydrophobicContact CZ2-CD 4.28Å; W289-K293 HydrophobicContact CZ2-CG 4.19Å; W289-K293 WeakPolarHBondContact O-CG 3.39Å; W289-K293 PolarHBondContact O-N 2.86Å; S290-K293 PolarHBondContact O-N 2.96Å; S291-K293 PolarHBondContact O-N 3.35Å; K293-A296 PolarHBondContact O-N 3.42Å; K293-M297 HydrophobicContact CB-CE 4.03Å; K293-M297 WeakPolarHBondContact O-CB 3.47Å; K293-M297 WeakPolarHBondContact O-CE 3.35Å; K293-M297 VanDerWaalsContact O-CG 3.24Å; K293-M297 WeakPolarHBondContact O-CG 3.36Å; K293-M297 PolarHBondContact O-N 3.42Å |
| 294 | M | 95.3 | Very high | 94.2 | Very high | 35 Ų | 35 | 48.6 Ų | 48.6 | 17% | 0.172 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -42.9 | 175.2 | -72.4 | -173.6 | -66.8 | 0 | 0 | 111.5 | V216 F251 S290 S291 M297 R298 Y315 | V216-M294 HydrophobicContact CG1-CG 3.76Å; V216-M294 HydrophobicContact CG1-SD 4.44Å; F251-M294 HydrophobicContact CB-CG 3.94Å; F251-M294 HydrophobicContact CB-SD 3.87Å; F251-M294 HydrophobicContact CD1-CB 4.49Å; F251-M294 HydrophobicContact CD1-CG 4Å; F251-M294 HydrophobicContact CD2-CB 4.26Å; F251-M294 HydrophobicContact CD2-CG 3.84Å; F251-M294 HydrophobicContact CD2-SD 3.78Å; F251-M294 HydrophobicContact CE1-CG 4.5Å; F251-M294 HydrophobicContact CE2-CB 4.27Å; F251-M294 HydrophobicContact CE2-CG 4.34Å; F251-M294 HydrophobicContact CG-CB 4.38Å; F251-M294 HydrophobicContact CG-CG 3.65Å; F251-M294 HydrophobicContact CG-SD 3.93Å; F251-M294 HydrophobicContact CZ-CB 4.4Å; S290-M294 WeakPolarHBondContact O-CB 3.32Å; S290-M294 VanDerWaalsContact O-CG 3.24Å; S290-M294 WeakPolarHBondContact O-CG 3.24Å; S290-M294 PolarHBondContact O-N 3.07Å; S291-M294 PolarHBondContact O-N 2.93Å; M294-M297 PolarHBondContact O-N 3.02Å; M294-R298 VanDerWaalsContact O-CB 3.29Å; M294-R298 WeakPolarHBondContact O-CB 3.41Å; M294-R298 PolarHBondContact O-N 3.25Å; M294-Y315 HydrophobicContact CE-CD1 4.36Å; M294-Y315 HydrophobicContact CE-CE1 4.46Å; M294-Y315 HydrophobicContact CE-CG 4.41Å; M294-Y315 HydrophobicContact SD-CD1 4.35Å; M294-Y315 HydrophobicContact SD-CD2 3.71Å; M294-Y315 HydrophobicContact SD-CE2 4.15Å; M294-Y315 HydrophobicContact SD-CG 3.81Å |
| 295 | V | 94.2 | Very high | 94.1 | Very high | 106 Ų | 106 | 45.3 Ų | 45.3 | 64% | 0.642 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -61 | -46.6 | 174.5 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | S291 E292 R298 K299 | S291-V295 WeakPolarHBondContact O-CG2 3.34Å; S291-V295 PolarHBondContact O-N 3.21Å; S291-V295 VanDerWaalsContact O-N 3.12Å; E292-V295 PolarHBondContact O-N 3.08Å; V295-R298 PolarHBondContact O-N 3.38Å; V295-K299 PolarHBondContact O-N 3.47Å |
| 296 | A | 93.2 | Very high | 94.1 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 31% | 0.306 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.8 | -45.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E292 K293 K299 Q300 | E292-A296 PolarHBondContact O-N 3.23Å; E292-A296 VanDerWaalsContact O-N 3.11Å; K293-A296 PolarHBondContact O-N 3.42Å; A296-K299 PolarHBondContact O-N 2.85Å; A296-Q300 WeakPolarHBondContact O-CG 3.46Å; A296-Q300 PolarHBondContact O-N 2.93Å |
| 297 | M | 94.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.4 | -40 | 178.7 | -72.2 | -172.1 | -76.5 | 0 | 0 | 111.7 | P214 V216 L220 F251 K293 M294 Q300 M301 | P214-M297 HydrophobicContact CB-SD 3.93Å; P214-M297 HydrophobicContact CG-SD 3.95Å; V216-M297 HydrophobicContact CB-CE 4.18Å; V216-M297 HydrophobicContact CG1-CE 3.74Å; L220-M297 HydrophobicContact CD2-CB 4.24Å; L220-M297 HydrophobicContact CD2-CG 3.84Å; L220-M297 HydrophobicContact CD2-SD 3.71Å; L220-M297 HydrophobicContact CG-CB 4.13Å; L220-M297 HydrophobicContact CG-CG 3.92Å; L220-M297 HydrophobicContact CG-SD 4.45Å; F251-M297 HydrophobicContact CD1-CE 3.85Å; F251-M297 HydrophobicContact CE1-CB 3.84Å; F251-M297 HydrophobicContact CE1-CE 4.29Å; K293-M297 HydrophobicContact CB-CE 4.03Å; K293-M297 WeakPolarHBondContact O-CB 3.47Å; K293-M297 WeakPolarHBondContact O-CE 3.35Å; K293-M297 VanDerWaalsContact O-CG 3.24Å; K293-M297 WeakPolarHBondContact O-CG 3.36Å; K293-M297 PolarHBondContact O-N 3.42Å; M294-M297 PolarHBondContact O-N 3.02Å; M297-Q300 WeakPolarHBondContact O-CB 3.5Å; M297-Q300 PolarHBondContact O-N 3.32Å; M297-M301 VanDerWaalsContact O-CG 3.3Å; M297-M301 WeakPolarHBondContact O-CG 3.44Å; M297-M301 PolarHBondContact O-N 3.06Å |
| 298 | R | 94.6 | Very high | 94 | Very high | 104 Ų | 104 | 39.7 Ų | 39.7 | 39% | 0.392 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.5 | -50 | 172.8 | 176.9 | 170.8 | 174.3 | 170.4 | -0.3 | 110.8 | F251 M294 V295 Q300 M301 E302 W310 | F251-R298 HydrophobicContact CZ-CB 4.27Å; M294-R298 VanDerWaalsContact O-CB 3.29Å; M294-R298 WeakPolarHBondContact O-CB 3.41Å; M294-R298 PolarHBondContact O-N 3.25Å; V295-R298 PolarHBondContact O-N 3.38Å; R298-Q300 VanDerWaalsContact C-N 3.28Å; R298-Q300 PolarHBondContact O-N 2.9Å; R298-M301 WeakPolarHBondContact O-CB 3.27Å; R298-M301 PolarHBondContact O-N 3.14Å; R298-E302 HydrophobicContact CG-CG 4.19Å; R298-E302 IonicContact CZ-OE1 4Å; R298-E302 IonicContact NE-OE1 2.83Å; R298-E302 PolarHBondContact NE-OE1 3.03Å; R298-E302 IonicContact NH2-OE1 3.86Å; R298-E302 PolarHBondContact NH2-OE1 3.39Å; R298-E302 WeakPolarHBondContact O-CG 3.4Å; R298-E302 PolarHBondContact O-N 2.68Å; R298-W310 HydrophobicContact CB-CH2 4.46Å; R298-W310 HydrophobicContact CG-CH2 3.87Å; R298-W310 HydrophobicContact CG-CZ2 4.34Å; R298-W310 HydrophobicContact CG-CZ3 3.98Å |
| 299 | K | 92 | Very high | 93.9 | Very high | 115 Ų | 115 | 33.9 Ų | 33.9 | 50% | 0.5 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.3 | -42.2 | 176.3 | -171.7 | -179.8 | 179.8 | -177.3 | 0 | 112.1 | V295 A296 M301 E302 S303 | V295-K299 PolarHBondContact O-N 3.47Å; A296-K299 PolarHBondContact O-N 2.85Å; K299-M301 PolarHBondContact O-N 2.98Å; K299-E302 PolarHBondContact O-N 3.27Å; K299-S303 PolarHBondContact O-N 2.87Å; K299-S303 PolarHBondContact O-OG 3.32Å |
| 300 | Q | 93.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 175.2 | -69.1 | 178.4 | -68.6 | 0 | 0 | 112.3 | L220 A296 M297 R298 I304 D750 L752 | L220-Q300 HydrophobicContact CB-CB 4.46Å; L220-Q300 HydrophobicContact CD1-CB 3.92Å; L220-Q300 HydrophobicContact CG-CB 4.31Å; L220-Q300 PolarHBondContact O-NE2 3.19Å; A296-Q300 WeakPolarHBondContact O-CG 3.46Å; A296-Q300 PolarHBondContact O-N 2.93Å; M297-Q300 WeakPolarHBondContact O-CB 3.5Å; M297-Q300 PolarHBondContact O-N 3.32Å; R298-Q300 VanDerWaalsContact C-N 3.28Å; R298-Q300 PolarHBondContact O-N 2.9Å; Q300-I304 WeakPolarHBondContact O-CD1 3.3Å; Q300-I304 VanDerWaalsContact O-CG1 3.28Å; Q300-I304 WeakPolarHBondContact O-CG1 3.2Å; Q300-I304 PolarHBondContact O-N 3.15Å; Q300-I304 VanDerWaalsContact O-N 3.15Å; Q300-D750 PolarHBondContact NE2-OD1 3.34Å; Q300-L752 HydrophobicContact CB-CD1 4.38Å; Q300-L752 HydrophobicContact CB-CG 4.41Å; Q300-L752 HydrophobicContact CG-CD1 3.37Å; Q300-L752 HydrophobicContact CG-CG 3.73Å |
| 301 | M | 95 | Very high | 93.4 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.9 | -41.6 | 177.4 | -67.6 | 176.5 | -175 | 0 | 0 | 112 | M211 P214 L220 L228 F251 M297 R298 K299 I304 G305 C306 W310 | M211-M301 HydrophobicContact CE-SD 4.13Å; M211-M301 HydrophobicContact SD-CE 3.64Å; M211-M301 HydrophobicContact SD-SD 3.87Å; P214-M301 HydrophobicContact CG-CE 3.41Å; P214-M301 VanDerWaalsContact CG-CE 3.41Å; L220-M301 HydrophobicContact CD1-CE 3.96Å; L220-M301 HydrophobicContact CD1-CG 3.68Å; L220-M301 HydrophobicContact CD2-CE 4.46Å; L228-M301 HydrophobicContact CD1-CB 4.49Å; L228-M301 HydrophobicContact CD1-CG 3.92Å; L228-M301 HydrophobicContact CD2-CG 4.21Å; F251-M301 HydrophobicContact CE1-CE 4.12Å; M297-M301 VanDerWaalsContact O-CG 3.3Å; M297-M301 WeakPolarHBondContact O-CG 3.44Å; M297-M301 PolarHBondContact O-N 3.06Å; R298-M301 WeakPolarHBondContact O-CB 3.27Å; R298-M301 PolarHBondContact O-N 3.14Å; K299-M301 PolarHBondContact O-N 2.98Å; M301-I304 PolarHBondContact O-N 3.37Å; M301-G305 PolarHBondContact O-N 2.75Å; M301-C306 VanDerWaalsContact C-SG 3.53Å; M301-C306 PolarHBondContact O-N 2.81Å; M301-C306 PolarHBondContact O-SG 2.71Å; M301-W310 HydrophobicContact CB-CH2 3.99Å; M301-W310 HydrophobicContact CB-CZ2 4.2Å; M301-W310 HydrophobicContact SD-CH2 3.72Å; M301-W310 HydrophobicContact SD-CZ3 4.43Å |
| 302 | E | 93.3 | Very high | 93.2 | Very high | 40 Ų | 40 | 42.5 Ų | 42.5 | 19% | 0.187 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64 | -46.2 | 176.5 | -66.1 | 177.9 | 162.3 | 0 | 0 | 110.8 | Y187 R298 K299 I304 G305 W310 Y912 | Y187-E302 HydrophobicContact CD1-CB 3.95Å; Y187-E302 HydrophobicContact CD1-CG 4.22Å; Y187-E302 WeakPolarHBondContact CD2-O 3.44Å; Y187-E302 HydrophobicContact CE1-CB 3.58Å; Y187-E302 HydrophobicContact CE1-CG 3.43Å; Y187-E302 VanDerWaalsContact CE1-CG 3.43Å; R298-E302 HydrophobicContact CG-CG 4.19Å; R298-E302 IonicContact CZ-OE1 4Å; R298-E302 IonicContact NE-OE1 2.83Å; R298-E302 PolarHBondContact NE-OE1 3.03Å; R298-E302 IonicContact NH2-OE1 3.86Å; R298-E302 PolarHBondContact NH2-OE1 3.39Å; R298-E302 WeakPolarHBondContact O-CG 3.4Å; R298-E302 PolarHBondContact O-N 2.68Å; K299-E302 PolarHBondContact O-N 3.27Å; E302-I304 VanDerWaalsContact C-N 3.27Å; E302-I304 PolarHBondContact O-N 2.65Å; E302-G305 WeakPolarHBondContact O-CA 3.31Å; E302-G305 PolarHBondContact O-N 3.06Å; E302-W310 HydrophobicContact CG-CZ2 3.96Å; E302-Y912 PolarHBondContact O-OH 2.61Å |
| 303 | S | 93.2 | Very high | 93.1 | Very high | 17 Ų | 17 | 40 Ų | 40 | 12% | 0.119 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.1 | -26.1 | 175.9 | -62.8 | 0 | 0 | 0 | 0 | 113.8 | K299 L752 E756 A765 | K299-S303 PolarHBondContact O-N 2.87Å; K299-S303 PolarHBondContact O-OG 3.32Å; S303-L752 WeakPolarHBondContact OG-CD2 3.36Å; S303-E756 PolarHBondContact OG-OE1 3.18Å; S303-A765 WeakPolarHBondContact O-CB 3.23Å |
| 304 | I | 94.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -74.7 | -16.7 | 172.2 | -70.7 | 164.9 | 0 | 0 | 0 | 111.5 | A225 L228 Q300 M301 E302 P751 I755 R769 | A225-I304 HydrophobicContact CB-CD1 4.08Å; L228-I304 HydrophobicContact CB-CG2 4.22Å; L228-I304 HydrophobicContact CD1-CD1 3.59Å; Q300-I304 WeakPolarHBondContact O-CD1 3.3Å; Q300-I304 VanDerWaalsContact O-CG1 3.28Å; Q300-I304 WeakPolarHBondContact O-CG1 3.2Å; Q300-I304 PolarHBondContact O-N 3.15Å; Q300-I304 VanDerWaalsContact O-N 3.15Å; M301-I304 PolarHBondContact O-N 3.37Å; E302-I304 VanDerWaalsContact C-N 3.27Å; E302-I304 PolarHBondContact O-N 2.65Å; I304-P751 HydrophobicContact CD1-CB 4Å; I304-P751 HydrophobicContact CD1-CG 4.39Å; I304-I755 HydrophobicContact CG1-CD1 3.61Å; I304-R769 PolarHBondContact O-NH1 3.5Å |
| 305 | G | 92.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 29.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R236 M301 E302 Y912 | R236-G305 PolarHBondContact NH2-O 2.87Å; M301-G305 PolarHBondContact O-N 2.75Å; E302-G305 WeakPolarHBondContact O-CA 3.31Å; E302-G305 PolarHBondContact O-N 3.06Å; G305-Y912 VanDerWaalsContact CA-OH 3.27Å; G305-Y912 WeakPolarHBondContact CA-OH 3.42Å; G305-Y912 PolarHBondContact N-OH 3.09Å |
| 306 | C | 92.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -67.6 | 132.9 | 179.6 | 69.1 | 0 | 0 | 0 | 0 | 112.7 | Y187 L228 W247 M301 C308 | Y187-C306 WeakPolarHBondContact CE2-O 3.36Å; Y187-C306 PolarHBondContact OH-O 2.95Å; L228-C306 HydrophobicContact CD2-CB 4.46Å; W247-C306 HydrophobicContact CH2-CB 4.15Å; W247-C306 HydrophobicContact CZ3-CB 3.75Å; M301-C306 VanDerWaalsContact C-SG 3.53Å; M301-C306 PolarHBondContact O-N 2.81Å; M301-C306 PolarHBondContact O-SG 2.71Å; C306-C308 VanDerWaalsContact C-N 3.3Å; C306-C308 PolarHBondContact O-N 3.11Å | ||
| 307 | S | 93.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | trans | -89.9 | 53.8 | 179.9 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | D232 V235 R236 R239 | D232-S307 VanDerWaalsContact OD1-CB 3.28Å; D232-S307 WeakPolarHBondContact OD1-CB 3.43Å; D232-S307 PolarHBondContact OD1-N 3.03Å; D232-S307 PolarHBondContact OD1-OG 3.46Å; V235-S307 WeakPolarHBondContact CG2-OG 3.2Å; R236-S307 WeakPolarHBondContact CG-OG 3.26Å; R239-S307 PolarHBondContact NH1-OG 2.99Å; R239-S307 VanDerWaalsContact NH1-OG 3.09Å; R239-S307 PolarHBondContact NH2-O 3.32Å; R239-S307 PolarHBondContact NH2-OG 3.33Å | ||
| 308 | C | 93 | Very high | 93.1 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | trans | -80.1 | 152.1 | -175.4 | -63.1 | 0 | 0 | 0 | 0 | 113.3 | M211 P249 C306 W310 | M211-C308 WeakPolarHBondContact CE-SG 3.44Å; P249-C308 HydrophobicContact CB-CB 4.06Å; P249-C308 HydrophobicContact CG-CB 3.87Å; C306-C308 VanDerWaalsContact C-N 3.3Å; C306-C308 PolarHBondContact O-N 3.11Å; C308-W310 HydrophobicContact CB-CD2 4.32Å; C308-W310 HydrophobicContact CB-CZ2 4.26Å; C308-W310 PolarHBondContact O-N 3.46Å; C308-W310 VanDerWaalsContact O-N 3.14Å | ||
| 309 | N | 92.5 | Very high | 93 | Very high | 17 Ų | 17 | 38.8 Ų | 38.8 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | trans | -82.6 | 80.1 | 167.8 | -173.8 | -11.4 | 0 | 0 | 0 | 110.5 | N197 S246 W247 P249 K311 R312 | N197-N309 WeakPolarHBondContact OD1-CA 3.4Å; N197-N309 WeakPolarHBondContact OD1-CB 3.23Å; N197-N309 PolarHBondContact OD1-ND2 3.4Å; N197-N309 PolarHBondContact OD1-OD1 3.36Å; S246-N309 PolarHBondContact OG-ND2 2.94Å; W247-N309 PolarHBondContact O-N 2.94Å; P249-N309 WeakPolarHBondContact CD-O 3.48Å; N309-K311 PolarHBondContact O-N 2.98Å; N309-K311 VanDerWaalsContact O-N 3.13Å; N309-K311 WeakPolarHBondContact OD1-CB 3.3Å; N309-K311 PolarHBondContact OD1-N 3.43Å; N309-R312 PolarHBondContact O-N 2.87Å; N309-R312 VanDerWaalsContact O-N 3.15Å | ||
| 310 | W | 91.6 | Very high | 92.8 | Very high | 28 Ų | 28 | 41.4 Ų | 41.4 | 11% | 0.106 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -60.5 | -21 | 179.7 | -64.7 | 111.9 | 0 | 0 | 0 | 114.1 | Y187 P249 R298 M301 E302 C308 R312 C313 | Y187-W310 PolarHBondContact OH-NE1 3.43Å; P249-W310 HydrophobicContact CB-CE3 4.09Å; P249-W310 HydrophobicContact CB-CH2 4.37Å; P249-W310 HydrophobicContact CB-CZ3 3.83Å; P249-W310 HydrophobicContact CG-CD2 4.15Å; P249-W310 HydrophobicContact CG-CE3 3.58Å; P249-W310 HydrophobicContact CG-CZ3 3.88Å; R298-W310 HydrophobicContact CB-CH2 4.46Å; R298-W310 HydrophobicContact CG-CH2 3.87Å; R298-W310 HydrophobicContact CG-CZ2 4.34Å; R298-W310 HydrophobicContact CG-CZ3 3.98Å; M301-W310 HydrophobicContact CB-CH2 3.99Å; M301-W310 HydrophobicContact CB-CZ2 4.2Å; M301-W310 HydrophobicContact SD-CH2 3.72Å; M301-W310 HydrophobicContact SD-CZ3 4.43Å; E302-W310 HydrophobicContact CG-CZ2 3.96Å; C308-W310 HydrophobicContact CB-CD2 4.32Å; C308-W310 HydrophobicContact CB-CZ2 4.26Å; C308-W310 PolarHBondContact O-N 3.46Å; C308-W310 VanDerWaalsContact O-N 3.14Å; W310-R312 PolarHBondContact O-N 2.99Å; W310-C313 HydrophobicContact CE3-CB 4.49Å; W310-C313 WeakPolarHBondContact O-CB 3.48Å; W310-C313 PolarHBondContact O-N 2.8Å |
| 311 | K | 88.6 | Confident | 92.9 | Very high | 150 Ų | 150 | 41.4 Ų | 41.4 | 65% | 0.652 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -67.9 | -22.5 | 177.9 | -56.9 | 179.8 | -173.7 | 171.9 | 0 | 112.8 | D194 N309 | D194-K311 VanDerWaalsContact CG-NZ 3.35Å; D194-K311 IonicContact OD1-NZ 2.78Å; D194-K311 PolarHBondContact OD1-NZ 3.38Å; D194-K311 IonicContact OD2-NZ 3.82Å; D194-K311 PolarHBondContact OD2-NZ 3.26Å; N309-K311 PolarHBondContact O-N 2.98Å; N309-K311 VanDerWaalsContact O-N 3.13Å; N309-K311 WeakPolarHBondContact OD1-CB 3.3Å; N309-K311 PolarHBondContact OD1-N 3.43Å |
| 312 | R | 88.8 | Confident | 92.8 | Very high | 92 Ų | 92 | 42.9 Ų | 42.9 | 35% | 0.347 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -107.5 | 18.4 | 175.8 | -71.3 | -167.1 | 172.6 | -104.6 | 2.6 | 113.1 | I248 N309 W310 F314 D687 L691 | I248-R312 HydrophobicContact CG1-CB 4.47Å; I248-R312 HydrophobicContact CG2-CB 4.07Å; I248-R312 VanDerWaalsContact CG2-O 3.27Å; I248-R312 WeakPolarHBondContact CG2-O 3.41Å; N309-R312 PolarHBondContact O-N 2.87Å; N309-R312 VanDerWaalsContact O-N 3.15Å; W310-R312 PolarHBondContact O-N 2.99Å; R312-F314 PolarHBondContact O-N 3.41Å; R312-D687 IonicContact CZ-OD1 2.8Å; R312-D687 IonicContact CZ-OD2 3.66Å; R312-D687 IonicContact NH1-OD1 2.71Å; R312-D687 IonicContact NH1-OD2 3.87Å; R312-D687 PolarHBondContact NH1-OD2 2.95Å; R312-D687 IonicContact NH2-OD1 3.79Å; R312-D687 PolarHBondContact NH2-OD1 3.47Å; R312-D687 IonicContact NH2-OD2 2.82Å; R312-D687 PolarHBondContact NH2-OD2 2.93Å; R312-L691 VanDerWaalsContact CZ-CD1 3.41Å; R312-L691 VanDerWaalsContact NH1-CD1 3.28Å |
| 313 | C | 93.9 | Very high | 92.9 | Very high | 46 Ų | 46 | 44.2 Ų | 44.2 | 31% | 0.311 | 21% | 0.211 | S | C | . | . | trans | -58.4 | 136.4 | 177.9 | -169.2 | 0 | 0 | 0 | 0 | 111.1 | P249 W310 | P249-C313 HydrophobicContact CG-CB 4.03Å; P249-C313 VanDerWaalsContact O-CA 3.31Å; P249-C313 WeakPolarHBondContact O-CA 3.38Å; W310-C313 HydrophobicContact CE3-CB 4.49Å; W310-C313 WeakPolarHBondContact O-CB 3.48Å; W310-C313 PolarHBondContact O-N 2.8Å | ||
| 314 | F | 94.4 | Very high | 93 | Very high | 15 Ų | 15 | 43.4 Ų | 43.4 | 7% | 0.066 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 150.3 | 179.1 | 67.9 | -89.3 | 0 | 0 | 0 | 111.7 | P213 I248 P249 G250 F251 R312 T316 F321 I673 I677 | P213-F314 HydrophobicContact CB-CE2 4.23Å; P213-F314 HydrophobicContact CB-CZ 4.26Å; P213-F314 HydrophobicContact CG-CE2 4.39Å; P213-F314 HydrophobicContact CG-CZ 4.41Å; I248-F314 HydrophobicContact CG2-CD1 4.05Å; I248-F314 HydrophobicContact CG2-CE1 4.24Å; P249-F314 VanDerWaalsContact O-CD1 3.3Å; P249-F314 WeakPolarHBondContact O-CD1 3.46Å; P249-F314 PolarHBondContact O-N 2.48Å; G250-F314 CarbonylContact C-O 3.5Å; G250-F314 WeakPolarHBondContact CA-O 3.37Å; F251-F314 PolarHBondContact N-O 3.19Å; R312-F314 PolarHBondContact O-N 3.41Å; F314-T316 HydrophobicContact CE2-CG2 4.3Å; F314-F321 HydrophobicContact CB-CD2 4.49Å; F314-F321 AromaticContact CD2-CD2 3.97Å; F314-F321 HydrophobicContact CD2-CD2 3.97Å; F314-F321 AromaticContact CD2-CE2 3.69Å; F314-F321 HydrophobicContact CD2-CE2 3.69Å; F314-F321 HydrophobicContact CE2-CE2 4.1Å; F314-F321 HydrophobicContact CG-CE2 4.44Å; F314-I673 HydrophobicContact CE1-CG2 4.06Å; F314-I673 HydrophobicContact CE2-CD1 3.87Å; F314-I673 HydrophobicContact CE2-CG1 3.8Å; F314-I673 HydrophobicContact CE2-CG2 4.14Å; F314-I673 HydrophobicContact CZ-CB 4.45Å; F314-I673 HydrophobicContact CZ-CD1 4.03Å; F314-I673 HydrophobicContact CZ-CG1 4.05Å; F314-I673 HydrophobicContact CZ-CG2 3.55Å; F314-I677 HydrophobicContact CD1-CG2 3.55Å; F314-I677 HydrophobicContact CE1-CG2 3.7Å; F314-I677 HydrophobicContact CG-CG2 4.29Å |
| 315 | Y | 96.1 | Very high | 93.1 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 8% | 0.078 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.6 | 161.8 | 171.1 | -127.1 | 0 | 0 | 0 | 109.5 | V216 F251 H253 S290 M294 L317 D318 W598 | V216-Y315 HydrophobicContact CG1-CE2 4.12Å; F251-Y315 HydrophobicContact CB-CD2 3.89Å; F251-Y315 WeakPolarHBondContact O-CD2 3.43Å; H253-Y315 HydrophobicContact CB-CE2 3.81Å; H253-Y315 WeakPolarHBondContact CB-OH 3.25Å; S290-Y315 PolarHBondContact OG-OH 3.17Å; M294-Y315 HydrophobicContact CE-CD1 4.36Å; M294-Y315 HydrophobicContact CE-CE1 4.46Å; M294-Y315 HydrophobicContact CE-CG 4.41Å; M294-Y315 HydrophobicContact SD-CD1 4.35Å; M294-Y315 HydrophobicContact SD-CD2 3.71Å; M294-Y315 HydrophobicContact SD-CE2 4.15Å; M294-Y315 HydrophobicContact SD-CG 3.81Å; Y315-L317 HydrophobicContact CD1-CB 3.96Å; Y315-L317 HydrophobicContact CE1-CB 3.46Å; Y315-L317 VanDerWaalsContact CE1-CB 3.46Å; Y315-L317 HydrophobicContact CE1-CD1 4.47Å; Y315-L317 HydrophobicContact CE1-CG 4.49Å; Y315-L317 PolarHBondContact O-N 2.89Å; Y315-D318 WeakPolarHBondContact CB-OD2 3.36Å; Y315-D318 PolarHBondContact N-OD2 3.39Å; Y315-D318 VanDerWaalsContact O-CB 3.31Å; Y315-D318 WeakPolarHBondContact O-CB 3.48Å; Y315-D318 PolarHBondContact O-N 3.37Å; Y315-W598 VanDerWaalsContact OH-CZ2 3.26Å; Y315-W598 WeakPolarHBondContact OH-CZ2 3.49Å |
| 316 | T | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -14.1 | -174.2 | 50.6 | 0 | 0 | 0 | 0 | 114.5 | F251 D252 H253 F314 F321 H600 I673 | F251-T316 PolarHBondContact O-N 3.49Å; F251-T316 PolarHBondContact O-OG1 2.77Å; D252-T316 WeakPolarHBondContact CA-OG1 3.43Å; H253-T316 PolarHBondContact N-OG1 2.9Å; H253-T316 PolarHBondContact ND1-OG1 3.47Å; F314-T316 HydrophobicContact CE2-CG2 4.3Å; T316-F321 HydrophobicContact CG2-CE1 4.46Å; T316-F321 HydrophobicContact CG2-CE2 4.17Å; T316-F321 HydrophobicContact CG2-CZ 4.11Å; T316-F321 WeakPolarHBondContact O-CD1 3.35Å; T316-H600 PolarHBondContact O-CE1 3.31Å; T316-H600 PolarHBondContact O-NE2 3.29Å; T316-I673 HydrophobicContact CG2-CD1 4.41Å |
| 317 | L | 94 | Very high | 93.3 | Very high | 38 Ų | 38 | 46.8 Ų | 46.8 | 20% | 0.199 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 7 | 171.3 | -81.3 | 173.1 | 0 | 0 | 0 | 113.6 | H253 Y315 S322 W598 | H253-L317 HydrophobicContact CB-CB 4.4Å; H253-L317 HydrophobicContact CB-CD1 3.41Å; H253-L317 VanDerWaalsContact CB-CD1 3.41Å; H253-L317 HydrophobicContact CB-CG 3.67Å; Y315-L317 HydrophobicContact CD1-CB 3.96Å; Y315-L317 HydrophobicContact CE1-CB 3.46Å; Y315-L317 VanDerWaalsContact CE1-CB 3.46Å; Y315-L317 HydrophobicContact CE1-CD1 4.47Å; Y315-L317 HydrophobicContact CE1-CG 4.49Å; Y315-L317 PolarHBondContact O-N 2.89Å; L317-S322 PolarHBondContact O-OG 3.01Å; L317-W598 HydrophobicContact CD1-CD2 4.32Å; L317-W598 HydrophobicContact CD1-CH2 3.85Å; L317-W598 HydrophobicContact CD1-CZ2 3.55Å; L317-W598 HydrophobicContact CD1-CZ3 4.35Å |
| 318 | D | 92.2 | Very high | 93.4 | Very high | 70 Ų | 70 | 46.8 Ų | 46.8 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -59.1 | 153.9 | 171.6 | -77.6 | -22 | 0 | 0 | 0 | 110.7 | Y315 K320 F321 S322 | Y315-D318 WeakPolarHBondContact CB-OD2 3.36Å; Y315-D318 PolarHBondContact N-OD2 3.39Å; Y315-D318 VanDerWaalsContact O-CB 3.31Å; Y315-D318 WeakPolarHBondContact O-CB 3.48Å; Y315-D318 PolarHBondContact O-N 3.37Å; D318-K320 VanDerWaalsContact C-N 3.31Å; D318-K320 PolarHBondContact O-N 2.95Å; D318-F321 HydrophobicContact CB-CB 4.44Å; D318-F321 WeakPolarHBondContact O-CA 3.47Å; D318-F321 WeakPolarHBondContact O-CB 3.45Å; D318-F321 PolarHBondContact O-N 3.46Å; D318-S322 PolarHBondContact O-N 3.46Å; D318-S322 PolarHBondContact O-OG 2.83Å |
| 319 | Q | 90.8 | Very high | 93.6 | Very high | 159 Ų | 159 | 46.7 Ų | 46.7 | 74% | 0.743 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -55.9 | -44 | -177.9 | -171.4 | 176.4 | 10.5 | 0 | 0 | 112.7 | F321 S322 I323 | Q319-F321 VanDerWaalsContact C-N 3.28Å; Q319-F321 PolarHBondContact O-N 3.48Å; Q319-S322 PolarHBondContact O-N 2.93Å; Q319-I323 HydrophobicContact CG-CD1 4.4Å; Q319-I323 WeakPolarHBondContact O-CG1 3.49Å; Q319-I323 PolarHBondContact O-N 3.28Å |
| 320 | K | 89.2 | Confident | 93.6 | Very high | 170 Ų | 170 | 49.5 Ų | 49.5 | 74% | 0.739 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -60.3 | -39.9 | 176.6 | -67.9 | -178.2 | -178.6 | 176.4 | 0 | 112 | D318 A324 | D318-K320 VanDerWaalsContact C-N 3.31Å; D318-K320 PolarHBondContact O-N 2.95Å; K320-A324 PolarHBondContact O-N 2.9Å |
| 321 | F | 94.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.5 | -42.5 | 179.1 | -148 | -64.7 | 0 | 0 | 0 | 110.8 | F314 T316 D318 Q319 I323 A324 V325 S669 L672 I673 V676 | F314-F321 HydrophobicContact CB-CD2 4.49Å; F314-F321 AromaticContact CD2-CD2 3.97Å; F314-F321 HydrophobicContact CD2-CD2 3.97Å; F314-F321 AromaticContact CD2-CE2 3.69Å; F314-F321 HydrophobicContact CD2-CE2 3.69Å; F314-F321 HydrophobicContact CE2-CE2 4.1Å; F314-F321 HydrophobicContact CG-CE2 4.44Å; T316-F321 HydrophobicContact CG2-CE1 4.46Å; T316-F321 HydrophobicContact CG2-CE2 4.17Å; T316-F321 HydrophobicContact CG2-CZ 4.11Å; T316-F321 WeakPolarHBondContact O-CD1 3.35Å; D318-F321 HydrophobicContact CB-CB 4.44Å; D318-F321 WeakPolarHBondContact O-CA 3.47Å; D318-F321 WeakPolarHBondContact O-CB 3.45Å; D318-F321 PolarHBondContact O-N 3.46Å; Q319-F321 VanDerWaalsContact C-N 3.28Å; Q319-F321 PolarHBondContact O-N 3.48Å; F321-I323 VanDerWaalsContact C-N 3.34Å; F321-I323 PolarHBondContact O-N 3.07Å; F321-A324 WeakPolarHBondContact O-CB 3.33Å; F321-A324 PolarHBondContact O-N 3.38Å; F321-A324 VanDerWaalsContact O-N 3.14Å; F321-V325 HydrophobicContact CD1-CG2 3.91Å; F321-V325 HydrophobicContact CE1-CG2 4.12Å; F321-V325 WeakPolarHBondContact O-CG2 3.37Å; F321-V325 PolarHBondContact O-N 3.37Å; F321-S669 WeakPolarHBondContact CE1-O 3.43Å; F321-S669 WeakPolarHBondContact CZ-O 3.09Å; F321-L672 HydrophobicContact CE1-CB 4.45Å; F321-I673 HydrophobicContact CE2-CG1 3.91Å; F321-I673 HydrophobicContact CZ-CB 4.49Å; F321-I673 HydrophobicContact CZ-CG1 3.64Å; F321-V676 HydrophobicContact CB-CG1 4.4Å; F321-V676 HydrophobicContact CD1-CG2 4.19Å; F321-V676 HydrophobicContact CD2-CB 4.05Å; F321-V676 HydrophobicContact CD2-CG1 3.56Å; F321-V676 HydrophobicContact CD2-CG2 4.18Å; F321-V676 HydrophobicContact CE1-CG2 3.93Å; F321-V676 HydrophobicContact CE2-CB 3.82Å; F321-V676 HydrophobicContact CE2-CG1 3.86Å; F321-V676 HydrophobicContact CE2-CG2 3.94Å; F321-V676 HydrophobicContact CG-CG1 4.02Å; F321-V676 HydrophobicContact CG-CG2 4.28Å; F321-V676 HydrophobicContact CZ-CB 4.15Å; F321-V676 HydrophobicContact CZ-CG2 3.78Å |
| 322 | S | 94.1 | Very high | 94.1 | Very high | 32 Ų | 32 | 45.4 Ų | 45.4 | 22% | 0.224 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.2 | -42 | 177.7 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | L317 D318 Q319 A324 V325 V326 H600 | L317-S322 PolarHBondContact O-OG 3.01Å; D318-S322 PolarHBondContact O-N 3.46Å; D318-S322 PolarHBondContact O-OG 2.83Å; Q319-S322 PolarHBondContact O-N 2.93Å; S322-A324 VanDerWaalsContact C-N 3.3Å; S322-A324 PolarHBondContact O-N 3.18Å; S322-V325 PolarHBondContact O-N 2.86Å; S322-V326 VanDerWaalsContact O-CG2 3.31Å; S322-V326 WeakPolarHBondContact O-CG2 3.46Å; S322-V326 PolarHBondContact O-N 2.86Å; S322-H600 PolarHBondContact OG-CE1 3.29Å |
| 323 | I | 94.6 | Very high | 94.2 | Very high | 68 Ų | 68 | 44.6 Ų | 44.6 | 35% | 0.349 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.2 | -44 | 174.7 | -69.2 | 165 | 0 | 0 | 0 | 111.2 | Q319 F321 V326 E327 P681 H682 | Q319-I323 HydrophobicContact CG-CD1 4.4Å; Q319-I323 WeakPolarHBondContact O-CG1 3.49Å; Q319-I323 PolarHBondContact O-N 3.28Å; F321-I323 VanDerWaalsContact C-N 3.34Å; F321-I323 PolarHBondContact O-N 3.07Å; I323-V326 PolarHBondContact O-N 2.89Å; I323-E327 WeakPolarHBondContact O-CB 3.38Å; I323-E327 PolarHBondContact O-N 2.83Å; I323-P681 HydrophobicContact CG2-CG 4.16Å; I323-H682 WeakPolarHBondContact CG2-NE2 3.22Å |
| 324 | A | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.7 | -45.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K320 F321 S322 V326 E327 A328 V676 W680 | K320-A324 PolarHBondContact O-N 2.9Å; F321-A324 WeakPolarHBondContact O-CB 3.33Å; F321-A324 PolarHBondContact O-N 3.38Å; F321-A324 VanDerWaalsContact O-N 3.14Å; S322-A324 VanDerWaalsContact C-N 3.3Å; S322-A324 PolarHBondContact O-N 3.18Å; A324-V326 VanDerWaalsContact C-N 3.27Å; A324-V326 PolarHBondContact O-N 3.07Å; A324-E327 PolarHBondContact O-N 3.24Å; A324-A328 WeakPolarHBondContact O-CB 3.41Å; A324-A328 PolarHBondContact O-N 3.03Å; A324-V676 HydrophobicContact CB-CG2 3.52Å; A324-W680 HydrophobicContact CB-CE3 3.7Å; A324-W680 HydrophobicContact CB-CZ3 3.73Å; A324-W680 WeakPolarHBondContact O-CZ3 3.49Å |
| 325 | V | 96.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56 | -45.3 | 177.5 | 172 | 0 | 0 | 0 | 0 | 111.2 | F321 S322 A328 F329 H600 L664 F668 L672 | F321-V325 HydrophobicContact CD1-CG2 3.91Å; F321-V325 HydrophobicContact CE1-CG2 4.12Å; F321-V325 WeakPolarHBondContact O-CG2 3.37Å; F321-V325 PolarHBondContact O-N 3.37Å; S322-V325 PolarHBondContact O-N 2.86Å; V325-A328 PolarHBondContact O-N 3.16Å; V325-F329 PolarHBondContact O-N 3.15Å; V325-H600 HydrophobicContact CG1-CB 4.12Å; V325-L664 HydrophobicContact CG1-CD1 3.49Å; V325-L664 VanDerWaalsContact CG1-CD1 3.49Å; V325-F668 HydrophobicContact CG1-CD1 4.12Å; V325-F668 HydrophobicContact CG1-CE1 4.06Å; V325-L672 HydrophobicContact CB-CD1 4.42Å; V325-L672 HydrophobicContact CG2-CD1 3.98Å |
| 326 | V | 95.3 | Very high | 93.7 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 16% | 0.164 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 179.1 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | S322 I323 A324 A328 F329 R330 P603 A638 | S322-V326 VanDerWaalsContact O-CG2 3.31Å; S322-V326 WeakPolarHBondContact O-CG2 3.46Å; S322-V326 PolarHBondContact O-N 2.86Å; I323-V326 PolarHBondContact O-N 2.89Å; A324-V326 VanDerWaalsContact C-N 3.27Å; A324-V326 PolarHBondContact O-N 3.07Å; V326-A328 VanDerWaalsContact C-N 3.32Å; V326-A328 PolarHBondContact O-N 2.99Å; V326-F329 PolarHBondContact O-N 2.94Å; V326-R330 WeakPolarHBondContact O-CG 3.35Å; V326-R330 PolarHBondContact O-N 3.03Å; V326-P603 HydrophobicContact CB-CB 4.47Å; V326-P603 HydrophobicContact CG1-CB 3.96Å; V326-P603 HydrophobicContact CG1-CG 4.36Å; V326-P603 HydrophobicContact CG2-CB 4.08Å; V326-P603 HydrophobicContact CG2-CG 4.35Å; V326-A638 HydrophobicContact CG1-CB 4.13Å |
| 327 | E | 95.7 | Very high | 93.6 | Very high | 46 Ų | 46 | 56 Ų | 56 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63 | -38 | 176.7 | 178.5 | 62 | -174.1 | 0 | 0 | 112.1 | I323 A324 R330 R331 W680 P681 | I323-E327 WeakPolarHBondContact O-CB 3.38Å; I323-E327 PolarHBondContact O-N 2.83Å; A324-E327 PolarHBondContact O-N 3.24Å; E327-R330 PolarHBondContact O-N 3.44Å; E327-R331 WeakPolarHBondContact O-CG 3.26Å; E327-R331 PolarHBondContact O-N 3.44Å; E327-R331 IonicContact OE1-CZ 3.59Å; E327-R331 VanDerWaalsContact OE1-CZ 3.26Å; E327-R331 IonicContact OE1-NE 2.79Å; E327-R331 PolarHBondContact OE1-NE 3.3Å; E327-R331 IonicContact OE1-NH2 3.31Å; E327-R331 PolarHBondContact OE1-NH2 2.77Å; E327-W680 HydrophobicContact CB-CH2 3.79Å; E327-W680 HydrophobicContact CB-CZ2 4.46Å; E327-W680 HydrophobicContact CB-CZ3 4.27Å; E327-W680 HydrophobicContact CG-CH2 3.55Å; E327-W680 HydrophobicContact CG-CZ2 3.73Å; E327-W680 HydrophobicContact CG-CZ3 4.39Å; E327-P681 HydrophobicContact CB-CB 4.48Å; E327-P681 HydrophobicContact CB-CG 4.09Å; E327-P681 HydrophobicContact CG-CB 3.92Å; E327-P681 HydrophobicContact CG-CG 4.06Å |
| 328 | A | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65 | -45.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A324 V325 V326 R330 R331 L332 F668 L672 W680 L718 | A324-A328 WeakPolarHBondContact O-CB 3.41Å; A324-A328 PolarHBondContact O-N 3.03Å; V325-A328 PolarHBondContact O-N 3.16Å; V326-A328 VanDerWaalsContact C-N 3.32Å; V326-A328 PolarHBondContact O-N 2.99Å; A328-R330 VanDerWaalsContact C-N 3.34Å; A328-R330 PolarHBondContact O-N 3.34Å; A328-R331 PolarHBondContact O-N 3.24Å; A328-L332 WeakPolarHBondContact O-CB 3.31Å; A328-L332 VanDerWaalsContact O-CG 3.23Å; A328-L332 WeakPolarHBondContact O-CG 3.43Å; A328-L332 PolarHBondContact O-N 3.41Å; A328-F668 HydrophobicContact CB-CZ 4.31Å; A328-L672 HydrophobicContact CB-CD1 3.66Å; A328-L672 HydrophobicContact CB-CD2 3.95Å; A328-L672 HydrophobicContact CB-CG 4.48Å; A328-W680 HydrophobicContact CB-CH2 3.88Å; A328-W680 HydrophobicContact CB-CZ3 4.13Å; A328-L718 HydrophobicContact CB-CD1 3.85Å; A328-L718 HydrophobicContact CB-CD2 4.45Å |
| 329 | F | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 176.2 | -163.3 | -81.8 | 0 | 0 | 0 | 111.3 | V325 V326 R331 L332 H333 L338 W551 L592 I602 P603 I636 L664 F668 | V325-F329 PolarHBondContact O-N 3.15Å; V326-F329 PolarHBondContact O-N 2.94Å; F329-R331 PolarHBondContact O-N 3.33Å; F329-L332 PolarHBondContact O-N 3.18Å; F329-H333 WeakPolarHBondContact O-CB 3.44Å; F329-H333 PolarHBondContact O-N 3.11Å; F329-L338 HydrophobicContact CB-CD1 4.45Å; F329-L338 HydrophobicContact CD1-CD1 3.76Å; F329-L338 HydrophobicContact CD2-CD1 3.68Å; F329-L338 HydrophobicContact CE1-CD1 3.79Å; F329-L338 HydrophobicContact CE2-CD1 3.71Å; F329-L338 HydrophobicContact CE2-CD2 4.2Å; F329-L338 HydrophobicContact CG-CD1 3.71Å; F329-L338 HydrophobicContact CZ-CD1 3.78Å; F329-L338 WeakPolarHBondContact O-CD1 3.26Å; F329-W551 HydrophobicContact CZ-CD2 4.1Å; F329-W551 HydrophobicContact CZ-CE3 4.04Å; F329-W551 HydrophobicContact CZ-CG 4.47Å; F329-W551 HydrophobicContact CZ-CZ3 4.47Å; F329-L592 HydrophobicContact CE2-CD1 4.15Å; F329-I602 HydrophobicContact CE1-CG2 4.15Å; F329-I602 HydrophobicContact CE2-CG2 3.94Å; F329-I602 HydrophobicContact CZ-CG2 3.57Å; F329-P603 HydrophobicContact CB-CG 3.76Å; F329-P603 HydrophobicContact CD1-CG 3.65Å; F329-P603 HydrophobicContact CE1-CG 4.39Å; F329-P603 HydrophobicContact CG-CG 3.71Å; F329-I636 HydrophobicContact CD1-CD1 4.4Å; F329-I636 HydrophobicContact CD1-CG2 3.68Å; F329-I636 HydrophobicContact CE1-CD1 3.67Å; F329-I636 HydrophobicContact CE1-CG1 4.11Å; F329-I636 HydrophobicContact CE1-CG2 4.08Å; F329-L664 HydrophobicContact CD2-CD1 4.38Å; F329-L664 HydrophobicContact CD2-CD2 3.79Å; F329-L664 HydrophobicContact CE2-CD2 3.68Å; F329-F668 HydrophobicContact CB-CE1 4.44Å; F329-F668 HydrophobicContact CB-CZ 4.39Å; F329-F668 HydrophobicContact CD2-CE1 4.39Å; F329-F668 HydrophobicContact CD2-CZ 4.29Å |
| 330 | R | 93.4 | Very high | 93.3 | Very high | 76 Ų | 76 | 47.4 Ų | 47.4 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58 | -47.8 | 175.6 | -75.9 | 176.1 | 67.1 | 156.3 | 7.8 | 112.9 | V326 E327 A328 H333 K334 I636 E642 | V326-R330 WeakPolarHBondContact O-CG 3.35Å; V326-R330 PolarHBondContact O-N 3.03Å; E327-R330 PolarHBondContact O-N 3.44Å; A328-R330 VanDerWaalsContact C-N 3.34Å; A328-R330 PolarHBondContact O-N 3.34Å; R330-H333 PolarHBondContact O-N 2.65Å; R330-K334 WeakPolarHBondContact O-CB 3.42Å; R330-K334 PolarHBondContact O-N 3.07Å; R330-I636 HydrophobicContact CB-CG2 4.49Å; R330-I636 HydrophobicContact CG-CG2 3.75Å; R330-E642 IonicContact CZ-OE1 3.06Å; R330-E642 IonicContact CZ-OE2 3.16Å; R330-E642 VanDerWaalsContact NH1-CD 3.28Å; R330-E642 IonicContact NH1-OE1 3.99Å; R330-E642 PolarHBondContact NH1-OE1 3.09Å; R330-E642 IonicContact NH1-OE2 2.68Å; R330-E642 PolarHBondContact NH1-OE2 3.02Å; R330-E642 IonicContact NH2-OE1 3.45Å; R330-E642 PolarHBondContact NH2-OE1 3.17Å; R330-E642 IonicContact NH2-OE2 2.66Å |
| 331 | R | 94.2 | Very high | 93.1 | Very high | 91 Ų | 91 | 41.2 Ų | 41.2 | 34% | 0.343 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.2 | -46 | 179.8 | -71.5 | -174.6 | -170.1 | -164.4 | 3.4 | 112 | E327 A328 F329 H333 K334 D335 L718 | E327-R331 WeakPolarHBondContact O-CG 3.26Å; E327-R331 PolarHBondContact O-N 3.44Å; E327-R331 IonicContact OE1-CZ 3.59Å; E327-R331 VanDerWaalsContact OE1-CZ 3.26Å; E327-R331 IonicContact OE1-NE 2.79Å; E327-R331 PolarHBondContact OE1-NE 3.3Å; E327-R331 IonicContact OE1-NH2 3.31Å; E327-R331 PolarHBondContact OE1-NH2 2.77Å; A328-R331 PolarHBondContact O-N 3.24Å; F329-R331 PolarHBondContact O-N 3.33Å; R331-H333 VanDerWaalsContact C-N 3.27Å; R331-H333 PolarHBondContact O-N 3.02Å; R331-K334 WeakPolarHBondContact O-CB 3.4Å; R331-K334 PolarHBondContact O-N 3.22Å; R331-K334 VanDerWaalsContact O-N 3.15Å; R331-D335 VanDerWaalsContact O-CG 3.3Å; R331-D335 PolarHBondContact O-N 3.31Å; R331-L718 HydrophobicContact CB-CD2 3.95Å |
| 332 | L | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.3 | -33.2 | 179.1 | -66 | 168.4 | 0 | 0 | 0 | 112.4 | A328 F329 G336 L337 L338 L553 F668 L714 Q717 L718 | A328-L332 WeakPolarHBondContact O-CB 3.31Å; A328-L332 VanDerWaalsContact O-CG 3.23Å; A328-L332 WeakPolarHBondContact O-CG 3.43Å; A328-L332 PolarHBondContact O-N 3.41Å; F329-L332 PolarHBondContact O-N 3.18Å; L332-G336 PolarHBondContact O-N 3.34Å; L332-L337 HydrophobicContact CD2-CD1 4.03Å; L332-L337 PolarHBondContact O-N 3.02Å; L332-L338 HydrophobicContact CB-CD1 3.62Å; L332-L338 HydrophobicContact CB-CG 3.78Å; L332-L338 PolarHBondContact O-N 2.98Å; L332-L553 HydrophobicContact CB-CD1 4.32Å; L332-L553 HydrophobicContact CD1-CD1 4.14Å; L332-L553 HydrophobicContact CD1-CD2 4.35Å; L332-L553 HydrophobicContact CD2-CD1 4.29Å; L332-L553 HydrophobicContact CG-CD1 4.49Å; L332-F668 HydrophobicContact CD1-CE2 3.7Å; L332-F668 HydrophobicContact CD1-CZ 3.87Å; L332-L714 HydrophobicContact CD1-CD2 3.99Å; L332-Q717 HydrophobicContact CD2-CG 3.7Å; L332-L718 HydrophobicContact CD2-CD2 4.39Å; L332-L718 HydrophobicContact CG-CD2 4.28Å |
| 333 | H | 92.3 | Very high | 92.2 | Very high | 75 Ų | 75 | 46.9 Ų | 46.9 | 35% | 0.347 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.8 | -44.9 | 172.4 | 178.5 | -96.9 | 0 | 0 | 0 | 111.5 | F329 R330 R331 D335 G336 L338 I636 | F329-H333 WeakPolarHBondContact O-CB 3.44Å; F329-H333 PolarHBondContact O-N 3.11Å; R330-H333 PolarHBondContact O-N 2.65Å; R331-H333 VanDerWaalsContact C-N 3.27Å; R331-H333 PolarHBondContact O-N 3.02Å; H333-D335 PolarHBondContact O-N 3.43Å; H333-G336 PolarHBondContact O-N 2.69Å; H333-L338 HydrophobicContact CB-CB 4.2Å; H333-L338 HydrophobicContact CB-CD1 4.14Å; H333-I636 HydrophobicContact CB-CG1 4.12Å |
| 334 | K | 89.9 | Confident | 91.9 | Very high | 182 Ų | 182 | 44.5 Ų | 44.5 | 79% | 0.791 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -59.4 | -35.4 | 175 | -175.3 | -178.4 | 175.8 | -176.2 | 0 | 112.4 | R330 R331 G336 | R330-K334 WeakPolarHBondContact O-CB 3.42Å; R330-K334 PolarHBondContact O-N 3.07Å; R331-K334 WeakPolarHBondContact O-CB 3.4Å; R331-K334 PolarHBondContact O-N 3.22Å; R331-K334 VanDerWaalsContact O-N 3.15Å; K334-G336 PolarHBondContact O-N 3.01Å |
| 335 | D | 91.8 | Very high | 91.6 | Very high | 82 Ų | 82 | 45 Ų | 45 | 44% | 0.439 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -2 | 176.3 | -69 | -5.6 | 0 | 0 | 0 | 113.3 | R331 H333 L337 Q717 | R331-D335 VanDerWaalsContact O-CG 3.3Å; R331-D335 PolarHBondContact O-N 3.31Å; H333-D335 PolarHBondContact O-N 3.43Å; D335-L337 HydrophobicContact CB-CD1 4.24Å; D335-L337 HydrophobicContact CB-CG 4.16Å; D335-L337 PolarHBondContact O-N 3.23Å; D335-Q717 PolarHBondContact OD2-NE2 2.99Å |
| 336 | G | 90.4 | Very high | 91.3 | Very high | 39 Ų | 39 | 46.7 Ų | 46.7 | 40% | 0.402 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 17.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L332 H333 K334 | L332-G336 PolarHBondContact O-N 3.34Å; H333-G336 PolarHBondContact O-N 2.69Å; K334-G336 PolarHBondContact O-N 3.01Å |
| 337 | L | 93.8 | Very high | 91.2 | Very high | 18 Ų | 18 | 45.8 Ų | 45.8 | 9% | 0.094 | 21% | 0.212 | C | C | . | . | trans | -89.6 | -27.6 | 178.9 | -64.9 | 176.2 | 0 | 0 | 0 | 112.6 | L332 D335 L553 R554 M558 Q717 | L332-L337 HydrophobicContact CD2-CD1 4.03Å; L332-L337 PolarHBondContact O-N 3.02Å; D335-L337 HydrophobicContact CB-CD1 4.24Å; D335-L337 HydrophobicContact CB-CG 4.16Å; D335-L337 PolarHBondContact O-N 3.23Å; L337-L553 HydrophobicContact CB-CD1 3.88Å; L337-R554 HydrophobicContact CD2-CB 4.16Å; L337-R554 PolarHBondContact O-N 2.95Å; L337-M558 HydrophobicContact CD1-SD 4.43Å; L337-Q717 HydrophobicContact CD1-CG 3.78Å | ||
| 338 | L | 93.1 | Very high | 91 | Very high | 8 Ų | 8 | 43.6 Ų | 43.6 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.8 | 172.1 | -70.2 | 170.1 | 0 | 0 | 0 | 110.7 | F329 L332 H333 F552 L553 L592 | F329-L338 HydrophobicContact CB-CD1 4.45Å; F329-L338 HydrophobicContact CD1-CD1 3.76Å; F329-L338 HydrophobicContact CD2-CD1 3.68Å; F329-L338 HydrophobicContact CE1-CD1 3.79Å; F329-L338 HydrophobicContact CE2-CD1 3.71Å; F329-L338 HydrophobicContact CE2-CD2 4.2Å; F329-L338 HydrophobicContact CG-CD1 3.71Å; F329-L338 HydrophobicContact CZ-CD1 3.78Å; F329-L338 WeakPolarHBondContact O-CD1 3.26Å; L332-L338 HydrophobicContact CB-CD1 3.62Å; L332-L338 HydrophobicContact CB-CG 3.78Å; L332-L338 PolarHBondContact O-N 2.98Å; H333-L338 HydrophobicContact CB-CB 4.2Å; H333-L338 HydrophobicContact CB-CD1 4.14Å; L338-F552 WeakPolarHBondContact CA-O 3.49Å; L338-L553 HydrophobicContact CD2-CB 3.87Å; L338-L553 HydrophobicContact CD2-CD1 3.77Å; L338-L553 HydrophobicContact CD2-CG 4.37Å; L338-L553 HydrophobicContact CG-CD1 4.06Å; L338-L592 HydrophobicContact CD2-CD1 3.42Å; L338-L592 VanDerWaalsContact CD2-CD1 3.42Å |
| 339 | Y | 89.9 | Confident | 90.7 | Very high | 34 Ų | 34 | 43.9 Ų | 43.9 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 161 | 175.5 | 68.7 | -80.3 | 0 | 0 | 0 | 110.1 | D341 R343 F552 R554 D589 | Y339-D341 HydrophobicContact CD2-CB 3.96Å; Y339-D341 HydrophobicContact CE2-CB 3.74Å; Y339-R343 VanDerWaalsContact OH-CZ 3.28Å; Y339-R343 PolarHBondContact OH-NH1 3.12Å; Y339-R343 PolarHBondContact OH-NH2 3.4Å; Y339-F552 HydrophobicContact CD1-CB 4.27Å; Y339-F552 HydrophobicContact CE1-CB 3.71Å; Y339-F552 HydrophobicContact CE2-CB 4.07Å; Y339-F552 HydrophobicContact CE2-CD2 4.41Å; Y339-F552 PolarHBondContact N-O 3.42Å; Y339-F552 PolarHBondContact O-N 2.85Å; Y339-R554 HydrophobicContact CD1-CG 3.78Å; Y339-R554 HydrophobicContact CE1-CG 3.4Å; Y339-D589 WeakPolarHBondContact CE1-OD2 3.46Å; Y339-D589 PolarHBondContact OH-OD2 3.41Å |
| 340 | R | 87.4 | Confident | 90.3 | Very high | 44 Ų | 44 | 48.4 Ų | 48.4 | 17% | 0.166 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 131.3 | 176.3 | -164.3 | -179.9 | 179.9 | 127.9 | 8.9 | 108.3 | E549 Q550 W551 W634 D660 | R340-E549 WeakPolarHBondContact CD-OE1 3.15Å; R340-E549 HydrophobicContact CG-CG 3.89Å; R340-E549 IonicContact NE-OE1 3.36Å; R340-E549 PolarHBondContact NE-OE1 2.95Å; R340-E549 VanDerWaalsContact NE-OE1 3.09Å; R340-E549 IonicContact NE-OE2 2.92Å; R340-Q550 WeakPolarHBondContact CA-O 3.41Å; R340-Q550 WeakPolarHBondContact CG-O 3.15Å; R340-W551 HydrophobicContact CB-CD2 4.18Å; R340-W551 HydrophobicContact CB-CE3 4.1Å; R340-W551 HydrophobicContact CB-CH2 4.39Å; R340-W551 HydrophobicContact CB-CZ2 4.48Å; R340-W551 HydrophobicContact CB-CZ3 4.21Å; R340-W551 HydrophobicContact CG-CD2 4.36Å; R340-W551 VanDerWaalsContact NH1-NE1 3.18Å; R340-W634 VanDerWaalsContact NH1-NE1 3.11Å; R340-D660 IonicContact CZ-OD2 3.48Å; R340-D660 IonicContact NH1-OD2 2.74Å; R340-D660 PolarHBondContact NH1-OD2 3.18Å; R340-D660 IonicContact NH2-OD2 2.91Å |
| 341 | D | 85.6 | Confident | 89.9 | Confident | 41 Ų | 41 | 45.3 Ų | 45.3 | 22% | 0.219 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 151.4 | -177.8 | -165.3 | 1.5 | 0 | 0 | 0 | 110.6 | Y339 R343 E549 Q550 F552 | Y339-D341 HydrophobicContact CD2-CB 3.96Å; Y339-D341 HydrophobicContact CE2-CB 3.74Å; D341-R343 HydrophobicContact CB-CG 4.14Å; D341-R343 PolarHBondContact O-N 2.97Å; D341-R343 IonicContact OD2-CZ 2.71Å; D341-R343 VanDerWaalsContact OD2-CZ 3.31Å; D341-R343 IonicContact OD2-NE 3.74Å; D341-R343 PolarHBondContact OD2-NE 3.38Å; D341-R343 IonicContact OD2-NH2 2.75Å; D341-R343 PolarHBondContact OD2-NH2 3.21Å; D341-E549 WeakPolarHBondContact O-CA 3.42Å; D341-Q550 PolarHBondContact N-O 3.25Å; D341-Q550 PolarHBondContact O-N 2.85Å; D341-Q550 VanDerWaalsContact O-N 3.12Å; D341-F552 HydrophobicContact CB-CD2 4.41Å |
| 342 | Y | 84.9 | Confident | 89.6 | Confident | 75 Ų | 75 | 45.1 Ų | 45.1 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 100.2 | 173.3 | -169.7 | -113.6 | 0 | 0 | 0 | 108.6 | F472 R476 P547 E549 | Y342-F472 HydrophobicContact CD1-CE2 4.38Å; Y342-F472 HydrophobicContact CD1-CZ 4.26Å; Y342-F472 HydrophobicContact CE1-CE2 4.34Å; Y342-F472 WeakPolarHBondContact O-CZ 3.46Å; Y342-R476 PolarHBondContact O-NH2 3.39Å; Y342-P547 HydrophobicContact CD1-CB 4.32Å; Y342-P547 HydrophobicContact CE1-CB 3.65Å; Y342-P547 HydrophobicContact CE1-CG 4.24Å; Y342-P547 HydrophobicContact CE2-CB 4.23Å; Y342-P547 WeakPolarHBondContact CE2-O 3.32Å; Y342-P547 WeakPolarHBondContact OH-CG 3.42Å; Y342-P547 PolarHBondContact OH-O 3.45Å; Y342-E549 HydrophobicContact CD2-CB 4.19Å |
| 343 | R | 84.5 | Confident | 89.3 | Confident | 78 Ų | 78 | 45.1 Ų | 45.1 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 155.6 | -175.2 | -69.8 | -169.6 | -179.3 | -175.7 | 5.8 | 111.8 | Y339 D341 V345 P547 K548 F552 D589 | Y339-R343 VanDerWaalsContact OH-CZ 3.28Å; Y339-R343 PolarHBondContact OH-NH1 3.12Å; Y339-R343 PolarHBondContact OH-NH2 3.4Å; D341-R343 HydrophobicContact CB-CG 4.14Å; D341-R343 PolarHBondContact O-N 2.97Å; D341-R343 IonicContact OD2-CZ 2.71Å; D341-R343 VanDerWaalsContact OD2-CZ 3.31Å; D341-R343 IonicContact OD2-NE 3.74Å; D341-R343 PolarHBondContact OD2-NE 3.38Å; D341-R343 IonicContact OD2-NH2 2.75Å; D341-R343 PolarHBondContact OD2-NH2 3.21Å; R343-V345 PolarHBondContact O-N 3.2Å; R343-P547 WeakPolarHBondContact O-CA 3.28Å; R343-K548 PolarHBondContact N-O 3.03Å; R343-K548 PolarHBondContact O-N 3.32Å; R343-K548 VanDerWaalsContact O-O 3.12Å; R343-F552 HydrophobicContact CB-CE2 4.23Å; R343-F552 HydrophobicContact CB-CZ 3.98Å; R343-F552 HydrophobicContact CG-CE2 4.46Å; R343-D589 IonicContact NH1-OD2 3.45Å |
| 344 | V | 87.9 | Confident | 89.2 | Confident | 18 Ų | 18 | 41.5 Ų | 41.5 | 11% | 0.109 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 122.1 | 171 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | R469 F472 P545 P547 | V344-R469 HydrophobicContact CB-CB 4.44Å; V344-R469 HydrophobicContact CG1-CB 4.23Å; V344-F472 HydrophobicContact CG2-CB 3.57Å; V344-F472 HydrophobicContact CG2-CD1 3.96Å; V344-F472 HydrophobicContact CG2-CD2 3.73Å; V344-F472 HydrophobicContact CG2-CE2 4.37Å; V344-F472 HydrophobicContact CG2-CG 3.49Å; V344-F472 VanDerWaalsContact CG2-CG 3.49Å; V344-P545 HydrophobicContact CG1-CB 3.46Å; V344-P545 VanDerWaalsContact CG1-CB 3.46Å; V344-P547 HydrophobicContact CG2-CB 4.34Å |
| 345 | V | 89.4 | Confident | 89.1 | Confident | 9 Ų | 9 | 33.1 Ų | 33.1 | 6% | 0.055 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 155.2 | 173.3 | -62.6 | 0 | 0 | 0 | 0 | 110.6 | R343 W347 P545 V546 K548 Q550 F552 | R343-V345 PolarHBondContact O-N 3.2Å; V345-W347 PolarHBondContact O-N 2.97Å; V345-P545 WeakPolarHBondContact O-CA 3.32Å; V345-V546 WeakPolarHBondContact CG2-O 3.2Å; V345-V546 PolarHBondContact N-O 3.42Å; V345-V546 PolarHBondContact O-N 3.36Å; V345-K548 HydrophobicContact CG2-CB 3.99Å; V345-K548 HydrophobicContact CG2-CG 4.14Å; V345-Q550 HydrophobicContact CG1-CG 3.93Å; V345-F552 HydrophobicContact CG1-CZ 4.05Å |
| 346 | N | 90.3 | Very high | 88.6 | Confident | 37 Ų | 37 | 29.5 Ų | 29.5 | 20% | 0.198 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 98.6 | 170.9 | -75.8 | -51.3 | 0 | 0 | 0 | 109.3 | S354 I355 D357 V360 L543 | N346-S354 CarbonylContact O-C 3.59Å; N346-S354 WeakPolarHBondContact O-CA 3.33Å; N346-I355 PolarHBondContact O-N 2.93Å; N346-D357 PolarHBondContact ND2-OD1 2.57Å; N346-V360 HydrophobicContact CB-CG2 4.03Å; N346-L543 HydrophobicContact CB-CD1 4.32Å |
| 347 | W | 92.3 | Very high | 88 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 3% | 0.03 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 133.4 | -178.9 | -172.2 | -98.2 | 0 | 0 | 0 | 110.3 | V345 P349 Q352 A489 L543 E544 V546 K548 Q595 | V345-W347 PolarHBondContact O-N 2.97Å; W347-P349 WeakPolarHBondContact O-CD 3.47Å; W347-Q352 VanDerWaalsContact CH2-C 3.47Å; W347-Q352 WeakPolarHBondContact CH2-O 3.42Å; W347-Q352 HydrophobicContact CZ2-CB 4.1Å; W347-Q352 VanDerWaalsContact CZ2-O 3.25Å; W347-Q352 WeakPolarHBondContact CZ2-O 3.43Å; W347-A489 HydrophobicContact CZ2-CB 4Å; W347-A489 PolarHBondContact NE1-O 2.76Å; W347-L543 CarbonylContact O-C 3.53Å; W347-L543 WeakPolarHBondContact O-CA 3.26Å; W347-L543 WeakPolarHBondContact O-CD2 3.32Å; W347-E544 WeakPolarHBondContact CA-O 3.11Å; W347-E544 WeakPolarHBondContact CB-O 3.43Å; W347-E544 PolarHBondContact N-O 3.5Å; W347-E544 PolarHBondContact O-N 3.02Å; W347-V546 HydrophobicContact CB-CB 3.98Å; W347-V546 HydrophobicContact CB-CG2 3.76Å; W347-V546 HydrophobicContact CG-CB 4.41Å; W347-V546 HydrophobicContact CG-CG2 4.12Å; W347-K548 HydrophobicContact CE3-CG 4.24Å; W347-K548 HydrophobicContact CZ3-CD 4.43Å; W347-K548 HydrophobicContact CZ3-CG 4.29Å; W347-Q595 HydrophobicContact CH2-CB 4.33Å; W347-Q595 HydrophobicContact CH2-CG 3.98Å; W347-Q595 HydrophobicContact CZ3-CG 4.14Å; W347-Q595 VanDerWaalsContact CZ3-OE1 3.28Å |
| 348 | S | 91.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 111.9 | 167.2 | 174.6 | 0 | 0 | 0 | 0 | 109.4 | L350 L351 Q352 S353 | S348-L350 VanDerWaalsContact C-N 3.26Å; S348-L350 PolarHBondContact O-N 2.74Å; S348-L351 PolarHBondContact O-N 3.11Å; S348-L351 WeakPolarHBondContact OG-CG 3.48Å; S348-L351 PolarHBondContact OG-N 3.38Å; S348-Q352 VanDerWaalsContact O-CA 3.32Å; S348-Q352 WeakPolarHBondContact O-CA 3.4Å; S348-Q352 PolarHBondContact O-N 2.85Å; S348-S353 PolarHBondContact N-O 2.88Å |
| 349 | P | 90.6 | Very high | 86 | Confident | 7 Ų | 7 | 32.1 Ų | 32.1 | 5% | 0.045 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -38.7 | 175.5 | -26.9 | 36.8 | 0 | 0 | 0 | 112.8 | W347 Q352 D541 E544 | W347-P349 WeakPolarHBondContact O-CD 3.47Å; P349-Q352 WeakPolarHBondContact O-CG 3.49Å; P349-D541 WeakPolarHBondContact CD-OD2 3.3Å; P349-E544 HydrophobicContact CG-CB 4.14Å |
| 350 | L | 87.3 | Confident | 85.8 | Confident | 95 Ų | 95 | 31.6 Ų | 31.6 | 50% | 0.497 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -42.1 | 177.6 | -170.8 | 68.2 | 0 | 0 | 0 | 113.4 | S348 P374 T539 D541 | S348-L350 VanDerWaalsContact C-N 3.26Å; S348-L350 PolarHBondContact O-N 2.74Å; L350-P374 HydrophobicContact CD2-CB 3.91Å; L350-P374 HydrophobicContact CD2-CG 4.49Å; L350-T539 HydrophobicContact CD2-CG2 3.86Å; L350-D541 HydrophobicContact CB-CB 4.16Å; L350-D541 WeakPolarHBondContact CB-OD2 3.4Å; L350-D541 PolarHBondContact N-OD2 3.16Å |
| 351 | L | 85 | Confident | 85.7 | Confident | 11 Ų | 11 | 32.7 Ų | 32.7 | 6% | 0.058 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -15.7 | 179.8 | -61.2 | 172.6 | 0 | 0 | 0 | 112.9 | L256 L260 S348 S353 I355 T539 | L256-L351 HydrophobicContact CD2-CD1 3.88Å; L260-L351 HydrophobicContact CD1-CD2 3.73Å; L260-L351 HydrophobicContact CD2-CD2 3.4Å; L260-L351 HydrophobicContact CG-CD2 4.08Å; S348-L351 PolarHBondContact O-N 3.11Å; S348-L351 WeakPolarHBondContact OG-CG 3.48Å; S348-L351 PolarHBondContact OG-N 3.38Å; L351-S353 PolarHBondContact O-N 3.23Å; L351-I355 HydrophobicContact CD1-CD1 3.67Å; L351-T539 HydrophobicContact CD1-CG2 3.84Å; L351-T539 HydrophobicContact CD2-CG2 3.61Å; L351-T539 HydrophobicContact CG-CG2 3.68Å |
| 352 | Q | 87.5 | Confident | 85.8 | Confident | 86 Ų | 86 | 34.9 Ų | 34.9 | 40% | 0.402 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 44 | -170.6 | -61.9 | -176 | -32.8 | 0 | 0 | 112.6 | W347 S348 P349 S490 Q595 | W347-Q352 VanDerWaalsContact CH2-C 3.47Å; W347-Q352 WeakPolarHBondContact CH2-O 3.42Å; W347-Q352 HydrophobicContact CZ2-CB 4.1Å; W347-Q352 VanDerWaalsContact CZ2-O 3.25Å; W347-Q352 WeakPolarHBondContact CZ2-O 3.43Å; S348-Q352 VanDerWaalsContact O-CA 3.32Å; S348-Q352 WeakPolarHBondContact O-CA 3.4Å; S348-Q352 PolarHBondContact O-N 2.85Å; P349-Q352 WeakPolarHBondContact O-CG 3.49Å; Q352-S490 PolarHBondContact NE2-OG 3.43Å; Q352-Q595 WeakPolarHBondContact O-CB 3.19Å |
| 353 | S | 89.6 | Confident | 86 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 150.6 | -177.6 | -174.1 | 0 | 0 | 0 | 0 | 111.6 | S348 L351 Q595 | S348-S353 PolarHBondContact N-O 2.88Å; L351-S353 PolarHBondContact O-N 3.23Å; S353-Q595 PolarHBondContact OG-N 2.8Å |
| 354 | S | 89.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 134.9 | 168.5 | 62.2 | 0 | 0 | 0 | 0 | 110.6 | N346 S593 R594 Q595 | N346-S354 CarbonylContact O-C 3.59Å; N346-S354 WeakPolarHBondContact O-CA 3.33Å; S354-S593 PolarHBondContact OG-O 2.73Å; S354-R594 WeakPolarHBondContact O-CD 3.46Å; S354-Q595 VanDerWaalsContact N-OE1 3.12Å; S354-Q595 PolarHBondContact OG-OE1 2.74Å |
| 355 | I | 87.4 | Confident | 86.4 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | trans | -105.5 | 140.1 | 177.7 | -56.4 | -54.6 | 0 | 0 | 0 | 108.2 | L256 N346 L351 E359 L543 | L256-I355 HydrophobicContact CD2-CD1 4.16Å; N346-I355 PolarHBondContact O-N 2.93Å; L351-I355 HydrophobicContact CD1-CD1 3.67Å; I355-E359 HydrophobicContact CG2-CB 3.6Å; I355-L543 HydrophobicContact CB-CD2 4.23Å; I355-L543 HydrophobicContact CG1-CD2 3.8Å | ||
| 356 | S | 82 | Confident | 86.3 | Confident | 7 Ų | 7 | 39 Ų | 39 | 5% | 0.049 | 21% | 0.214 | C | C | . | . | trans | -62.7 | 141.9 | 175.8 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | A358 E359 | S356-A358 PolarHBondContact O-N 2.95Å; S356-A358 VanDerWaalsContact O-N 3.07Å; S356-E359 WeakPolarHBondContact O-CA 3.21Å; S356-E359 WeakPolarHBondContact O-CB 3.14Å; S356-E359 PolarHBondContact O-N 3.41Å | ||
| 357 | D | 77.3 | Confident | 86.3 | Confident | 76 Ų | 76 | 43.7 Ų | 43.7 | 41% | 0.406 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -52.9 | -31.9 | 174.8 | -63.4 | -16.2 | 0 | 0 | 0 | 112.4 | N346 E359 V360 | N346-D357 PolarHBondContact ND2-OD1 2.57Å; D357-E359 VanDerWaalsContact C-N 3.26Å; D357-E359 PolarHBondContact O-N 2.95Å; D357-V360 WeakPolarHBondContact O-CB 3.36Å; D357-V360 PolarHBondContact O-N 3.08Å |
| 358 | A | 69.1 | Low | 86.3 | Confident | 25 Ų | 25 | 45.5 Ų | 45.5 | 21% | 0.207 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -76.5 | -7.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | S356 W583 L706 | S356-A358 PolarHBondContact O-N 2.95Å; S356-A358 VanDerWaalsContact O-N 3.07Å; A358-W583 HydrophobicContact CB-CH2 3.81Å; A358-W583 HydrophobicContact CB-CZ3 4.29Å; A358-L706 HydrophobicContact CB-CD2 3.34Å; A358-L706 HydrophobicContact CB-CG 4.38Å |
| 359 | E | 76.2 | Confident | 86.3 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -105.4 | 10.7 | 174 | -63.6 | -170 | 145.4 | 0 | 0 | 112.4 | I355 S356 D357 R537 R538 | I355-E359 HydrophobicContact CG2-CB 3.6Å; S356-E359 WeakPolarHBondContact O-CA 3.21Å; S356-E359 WeakPolarHBondContact O-CB 3.14Å; S356-E359 PolarHBondContact O-N 3.41Å; D357-E359 VanDerWaalsContact C-N 3.26Å; D357-E359 PolarHBondContact O-N 2.95Å; E359-R537 WeakPolarHBondContact O-CB 3.48Å; E359-R537 PolarHBondContact O-N 3.32Å; E359-R537 VanDerWaalsContact O-N 3.15Å; E359-R538 IonicContact OE1-CZ 3.72Å; E359-R538 IonicContact OE1-NE 3.09Å; E359-R538 IonicContact OE1-NH2 3.86Å; E359-R538 PolarHBondContact OE1-NH2 3.25Å; E359-R538 IonicContact OE2-CZ 3.64Å; E359-R538 VanDerWaalsContact OE2-CZ 3.29Å; E359-R538 IonicContact OE2-NE 3.89Å; E359-R538 IonicContact OE2-NH1 2.94Å; E359-R538 PolarHBondContact OE2-NH1 3.35Å; E359-R538 IonicContact OE2-NH2 3.69Å; E359-R538 PolarHBondContact OE2-NH2 3.26Å |
| 360 | V | 85.5 | Confident | 86.5 | Confident | 22 Ų | 22 | 52.1 Ų | 52.1 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 113.7 | 174.2 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | N346 D357 V362 P534 L543 | N346-V360 HydrophobicContact CB-CG2 4.03Å; D357-V360 WeakPolarHBondContact O-CB 3.36Å; D357-V360 PolarHBondContact O-N 3.08Å; V360-V362 HydrophobicContact CG1-CG2 4.02Å; V360-P534 HydrophobicContact CG1-CB 3.71Å; V360-L543 HydrophobicContact CB-CD1 4.02Å; V360-L543 HydrophobicContact CG1-CD1 3.73Å; V360-L543 HydrophobicContact CG2-CD1 3.47Å; V360-L543 VanDerWaalsContact CG2-CD1 3.47Å |
| 361 | D | 85.3 | Confident | 86.6 | Confident | 67 Ų | 67 | 47.8 Ų | 47.8 | 36% | 0.358 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 108.4 | 170.9 | -72.4 | -18.2 | 0 | 0 | 0 | 108.2 | K363 M535 R537 | D361-K363 PolarHBondContact O-N 3.45Å; D361-M535 PolarHBondContact N-O 3.34Å; D361-M535 WeakPolarHBondContact O-CB 3.06Å; D361-M535 PolarHBondContact O-N 3.27Å; D361-R537 WeakPolarHBondContact OD2-CB 3.38Å; D361-R537 VanDerWaalsContact OD2-CG 3.26Å; D361-R537 WeakPolarHBondContact OD2-CG 3.4Å |
| 362 | V | 87 | Confident | 86.8 | Confident | 88 Ų | 88 | 52.1 Ų | 52.1 | 53% | 0.533 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 111.9 | 178.1 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | V360 N532 | V360-V362 HydrophobicContact CG1-CG2 4.02Å; V362-N532 HydrophobicContact CG1-CB 3.58Å |
| 363 | K | 89.3 | Confident | 86.8 | Confident | 78 Ų | 78 | 48.5 Ų | 48.5 | 34% | 0.339 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 107.2 | 174.8 | -172.8 | 178.5 | 177.8 | -176.4 | 0 | 109.8 | D361 I365 I371 V533 M535 | D361-K363 PolarHBondContact O-N 3.45Å; K363-I365 HydrophobicContact CD-CG2 4.39Å; K363-I365 HydrophobicContact CG-CG2 4.17Å; K363-I371 HydrophobicContact CD-CD1 4.15Å; K363-V533 PolarHBondContact N-O 3.44Å; K363-V533 PolarHBondContact O-N 3.34Å; K363-M535 HydrophobicContact CB-CE 3.73Å; K363-M535 HydrophobicContact CB-SD 4.16Å; K363-M535 HydrophobicContact CD-CE 4.08Å; K363-M535 HydrophobicContact CD-SD 4.15Å; K363-M535 HydrophobicContact CG-CE 4.45Å |
| 364 | S | 89.8 | Confident | 86.5 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 127.5 | 168.9 | -169.1 | 0 | 0 | 0 | 0 | 109.5 | N532 | S364-N532 WeakPolarHBondContact CA-OD1 3.3Å; S364-N532 WeakPolarHBondContact CB-OD1 3.4Å; S364-N532 PolarHBondContact OG-OD1 2.93Å |
| 365 | I | 91.1 | Very high | 85.8 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.036 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 124.1 | 175.2 | 50.5 | 168.7 | 0 | 0 | 0 | 109.4 | K363 T369 F382 V530 T531 V533 | K363-I365 HydrophobicContact CD-CG2 4.39Å; K363-I365 HydrophobicContact CG-CG2 4.17Å; I365-T369 HydrophobicContact CG2-CG2 4.44Å; I365-F382 HydrophobicContact CD1-CB 3.34Å; I365-V530 CarbonylContact O-C 3.44Å; I365-V530 VanDerWaalsContact O-CA 3.29Å; I365-V530 WeakPolarHBondContact O-CA 3.18Å; I365-T531 WeakPolarHBondContact CG1-O 3.29Å; I365-T531 PolarHBondContact N-O 2.99Å; I365-T531 PolarHBondContact O-N 3.36Å; I365-V533 HydrophobicContact CD1-CG2 3.84Å; I365-V533 HydrophobicContact CG1-CG2 4.16Å |
| 366 | D | 88.3 | Confident | 85.5 | Confident | 113 Ų | 113 | 56.7 Ų | 56.7 | 60% | 0.604 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -90.6 | -18.5 | -172.9 | -53.2 | -28.3 | 0 | 0 | 0 | 112.9 | ||
| 367 | Q | 89.9 | Confident | 85.4 | Confident | 135 Ų | 135 | 63.5 Ų | 63.5 | 63% | 0.631 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -140.5 | 161.1 | -179.2 | 63.6 | -175.5 | -16.1 | 0 | 0 | 110.3 | T369 | Q367-T369 PolarHBondContact O-N 3.32Å; Q367-T369 VanDerWaalsContact O-N 3.12Å; Q367-T369 PolarHBondContact O-OG1 2.88Å |
| 368 | P | 92.1 | Very high | 85.9 | Confident | 47 Ų | 47 | 67 Ų | 67 | 31% | 0.305 | 39% | 0.391 | S | S | . | . | trans | -47.7 | 120.8 | 176 | -32.5 | 35.7 | 0 | 0 | 0 | 112.4 | F382 Y384 S528 | P368-F382 CarbonylContact C-O 3.5Å; P368-F382 VanDerWaalsContact CA-O 3.25Å; P368-F382 WeakPolarHBondContact CA-O 3.43Å; P368-Y384 HydrophobicContact CB-CD1 4.42Å; P368-Y384 HydrophobicContact CB-CD2 4.5Å; P368-Y384 HydrophobicContact CB-CE1 3.78Å; P368-Y384 HydrophobicContact CB-CE2 3.87Å; P368-Y384 VanDerWaalsContact CB-CZ 3.47Å; P368-Y384 HydrophobicContact CG-CD1 3.95Å; P368-Y384 HydrophobicContact CG-CE1 3.52Å; P368-Y384 HydrophobicContact CG-CE2 4.42Å; P368-S528 VanDerWaalsContact CD-OG 3.23Å; P368-S528 WeakPolarHBondContact CD-OG 3.38Å | ||
| 369 | T | 93.1 | Very high | 86.9 | Confident | 41 Ų | 41 | 68 Ų | 68 | 25% | 0.252 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 129.1 | -173.8 | -58.4 | 0 | 0 | 0 | 0 | 109.8 | I365 Q367 I371 F382 | I365-T369 HydrophobicContact CG2-CG2 4.44Å; Q367-T369 PolarHBondContact O-N 3.32Å; Q367-T369 VanDerWaalsContact O-N 3.12Å; Q367-T369 PolarHBondContact O-OG1 2.88Å; T369-I371 HydrophobicContact CG2-CG1 4.28Å; T369-F382 PolarHBondContact N-O 2.9Å; T369-F382 PolarHBondContact O-N 3.5Å |
| 370 | D | 93 | Very high | 87.6 | Confident | 104 Ų | 104 | 67.3 Ų | 67.3 | 56% | 0.556 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 119.3 | 171.4 | -70.3 | -23.2 | 0 | 0 | 0 | 110 | A379 S381 | D370-A379 HydrophobicContact CB-CB 3.93Å; D370-S381 WeakPolarHBondContact OD1-CA 3.29Å; D370-S381 VanDerWaalsContact OD1-CB 3.22Å; D370-S381 WeakPolarHBondContact OD1-CB 3.41Å; D370-S381 PolarHBondContact OD1-OG 2.88Å |
| 371 | I | 90.7 | Very high | 87.8 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 2% | 0.021 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.5 | 179.9 | -58.1 | 179.7 | 0 | 0 | 0 | 108.6 | K363 T369 V373 V380 F382 V533 | K363-I371 HydrophobicContact CD-CD1 4.15Å; T369-I371 HydrophobicContact CG2-CG1 4.28Å; I371-V373 PolarHBondContact O-N 2.79Å; I371-V380 PolarHBondContact N-O 3.43Å; I371-V380 PolarHBondContact O-N 3.02Å; I371-F382 HydrophobicContact CB-CD2 3.9Å; I371-F382 HydrophobicContact CB-CE2 4.01Å; I371-F382 HydrophobicContact CD1-CB 4.35Å; I371-F382 HydrophobicContact CD1-CD2 3.71Å; I371-F382 HydrophobicContact CD1-CE2 4.35Å; I371-F382 HydrophobicContact CD1-CG 4.24Å; I371-F382 HydrophobicContact CG1-CD2 3.91Å; I371-F382 HydrophobicContact CG1-CE2 4.5Å; I371-V533 HydrophobicContact CD1-CB 4.49Å; I371-V533 HydrophobicContact CD1-CG1 4.38Å; I371-V533 HydrophobicContact CD1-CG2 4.25Å |
| 372 | P | 89.4 | Confident | 88.2 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 66% | 0.662 | 39% | 0.39 | S | S | * | . | trans | -66.9 | 127.8 | 172.4 | 27.4 | -32.3 | 0 | 0 | 0 | 109.7 | ||||
| 373 | V | 87.2 | Confident | 88.5 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | trans | -113.1 | 132.7 | 178.9 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | I371 G375 R376 V380 F382 F507 I542 | I371-V373 PolarHBondContact O-N 2.79Å; V373-G375 PolarHBondContact O-N 3.47Å; V373-R376 PolarHBondContact O-N 3.28Å; V373-V380 HydrophobicContact CB-CG2 4.3Å; V373-V380 HydrophobicContact CG2-CB 3.97Å; V373-V380 HydrophobicContact CG2-CG2 3.76Å; V373-F382 HydrophobicContact CG2-CE2 4.42Å; V373-F507 HydrophobicContact CG1-CE2 3.94Å; V373-F507 HydrophobicContact CG2-CE2 4.37Å; V373-I542 HydrophobicContact CG2-CG1 4.05Å | ||
| 374 | P | 82.3 | Confident | 88.7 | Confident | 45 Ų | 45 | 61.8 Ų | 61.8 | 29% | 0.292 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 135 | 178 | -24.7 | 34.1 | 0 | 0 | 0 | 112.6 | L350 R376 T539 D541 | L350-P374 HydrophobicContact CD2-CB 3.91Å; L350-P374 HydrophobicContact CD2-CG 4.49Å; P374-R376 VanDerWaalsContact C-N 3.35Å; P374-T539 WeakPolarHBondContact CG-O 3.42Å; P374-D541 HydrophobicContact CG-CB 4.1Å |
| 375 | G | 76.9 | Confident | 88.9 | Confident | 89 Ų | 89 | 59.3 Ų | 59.3 | 92% | 0.918 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | -5.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | V373 | V373-G375 PolarHBondContact O-N 3.47Š|
| 376 | R | 80.9 | Confident | 89 | Confident | 44 Ų | 44 | 60 Ų | 60 | 17% | 0.166 | 35% | 0.348 | C | S | . | . | trans | -109 | 142.8 | 172.9 | -73 | -176.2 | 62.4 | 121.2 | -8.1 | 112 | V373 P374 K378 E508 E511 | V373-R376 PolarHBondContact O-N 3.28Å; P374-R376 VanDerWaalsContact C-N 3.35Å; R376-K378 WeakPolarHBondContact CB-O 3.45Å; R376-K378 PolarHBondContact NE-O 2.93Å; R376-E508 VanDerWaalsContact NH1-N 3.11Å; R376-E511 IonicContact NH2-OE1 3.99Å; R376-E511 PolarHBondContact NH2-OE1 3.49Å | ||
| 377 | T | 79.9 | Confident | 89.4 | Confident | 150 Ų | 150 | 55.4 Ų | 55.4 | 92% | 0.92 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -78.9 | -34.6 | 172.1 | 50.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 378 | K | 86.1 | Confident | 89.7 | Confident | 149 Ų | 149 | 49 Ų | 49 | 65% | 0.648 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -97.2 | 133.3 | 175.3 | -66.2 | -177.6 | -179.3 | 178.6 | 0 | 110.4 | R376 | R376-K378 WeakPolarHBondContact CB-O 3.45Å; R376-K378 PolarHBondContact NE-O 2.93Å |
| 379 | A | 90.5 | Very high | 89.8 | Confident | 45 Ų | 45 | 47.8 Ų | 47.8 | 37% | 0.372 | 28% | 0.284 | S | S | . | . | trans | -58.2 | 154.6 | 169 | 0 | 0 | 0 | 0 | 0 | 110.7 | D370 | D370-A379 HydrophobicContact CB-CB 3.93Š| ||
| 380 | V | 90.7 | Very high | 89.9 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.9 | 179.9 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | I371 V373 F382 F507 | I371-V380 PolarHBondContact N-O 3.43Å; I371-V380 PolarHBondContact O-N 3.02Å; V373-V380 HydrophobicContact CB-CG2 4.3Å; V373-V380 HydrophobicContact CG2-CB 3.97Å; V373-V380 HydrophobicContact CG2-CG2 3.76Å; V380-F382 HydrophobicContact CB-CD2 4.44Å; V380-F382 HydrophobicContact CB-CE2 3.65Å; V380-F382 HydrophobicContact CB-CZ 4.13Å; V380-F382 HydrophobicContact CG1-CD2 4.23Å; V380-F382 HydrophobicContact CG1-CE1 4.44Å; V380-F382 HydrophobicContact CG1-CE2 3.53Å; V380-F382 HydrophobicContact CG1-CZ 3.62Å; V380-F382 WeakPolarHBondContact O-CD2 3.42Å; V380-F382 WeakPolarHBondContact O-CE2 3.34Å; V380-F507 HydrophobicContact CB-CG 4.46Å; V380-F507 HydrophobicContact CG1-CB 4.11Å; V380-F507 HydrophobicContact CG1-CD1 3.56Å; V380-F507 HydrophobicContact CG1-CE1 4.07Å; V380-F507 HydrophobicContact CG1-CG 3.85Å; V380-F507 HydrophobicContact CG2-CB 3.87Å; V380-F507 HydrophobicContact CG2-CD1 4.35Å; V380-F507 HydrophobicContact CG2-CD2 3.94Å; V380-F507 HydrophobicContact CG2-CG 3.8Å |
| 381 | S | 91.5 | Very high | 89.9 | Confident | 42 Ų | 42 | 43 Ų | 43 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 131.2 | 178.5 | -40.2 | 0 | 0 | 0 | 0 | 111.3 | D370 R510 | D370-S381 WeakPolarHBondContact OD1-CA 3.29Å; D370-S381 VanDerWaalsContact OD1-CB 3.22Å; D370-S381 WeakPolarHBondContact OD1-CB 3.41Å; D370-S381 PolarHBondContact OD1-OG 2.88Å; S381-R510 PolarHBondContact O-NH1 3.15Å |
| 382 | F | 93.4 | Very high | 89.9 | Confident | 16 Ų | 16 | 43.4 Ų | 43.4 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 166.5 | 174.5 | -64 | -92 | 0 | 0 | 0 | 110 | I365 P368 T369 I371 V373 V380 F507 V533 I542 | I365-F382 HydrophobicContact CD1-CB 3.34Å; P368-F382 CarbonylContact C-O 3.5Å; P368-F382 VanDerWaalsContact CA-O 3.25Å; P368-F382 WeakPolarHBondContact CA-O 3.43Å; T369-F382 PolarHBondContact N-O 2.9Å; T369-F382 PolarHBondContact O-N 3.5Å; I371-F382 HydrophobicContact CB-CD2 3.9Å; I371-F382 HydrophobicContact CB-CE2 4.01Å; I371-F382 HydrophobicContact CD1-CB 4.35Å; I371-F382 HydrophobicContact CD1-CD2 3.71Å; I371-F382 HydrophobicContact CD1-CE2 4.35Å; I371-F382 HydrophobicContact CD1-CG 4.24Å; I371-F382 HydrophobicContact CG1-CD2 3.91Å; I371-F382 HydrophobicContact CG1-CE2 4.5Å; V373-F382 HydrophobicContact CG2-CE2 4.42Å; V380-F382 HydrophobicContact CB-CD2 4.44Å; V380-F382 HydrophobicContact CB-CE2 3.65Å; V380-F382 HydrophobicContact CB-CZ 4.13Å; V380-F382 HydrophobicContact CG1-CD2 4.23Å; V380-F382 HydrophobicContact CG1-CE1 4.44Å; V380-F382 HydrophobicContact CG1-CE2 3.53Å; V380-F382 HydrophobicContact CG1-CZ 3.62Å; V380-F382 WeakPolarHBondContact O-CD2 3.42Å; V380-F382 WeakPolarHBondContact O-CE2 3.34Å; F382-F507 HydrophobicContact CE1-CE1 4.04Å; F382-F507 HydrophobicContact CZ-CD1 4.45Å; F382-F507 AromaticContact CZ-CE1 3.7Å; F382-F507 HydrophobicContact CZ-CE1 3.7Å; F382-F507 HydrophobicContact CZ-CZ 4.03Å; F382-V533 HydrophobicContact CB-CG2 4.08Å; F382-V533 HydrophobicContact CD1-CG1 4.46Å; F382-V533 HydrophobicContact CD1-CG2 4.1Å; F382-V533 HydrophobicContact CE1-CG1 4.46Å; F382-V533 HydrophobicContact CG-CG2 4.14Å; F382-I542 HydrophobicContact CE1-CG1 4.47Å; F382-I542 HydrophobicContact CE2-CG1 4.33Å; F382-I542 HydrophobicContact CZ-CD1 4.33Å; F382-I542 HydrophobicContact CZ-CG1 3.76Å |
| 383 | G | 92.6 | Very high | 89.8 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 91.8 | 19.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | H529 | G383-H529 CarbonylContact C-O 3.59Å; G383-H529 WeakPolarHBondContact CA-O 3.2Å; G383-H529 PolarHBondContact O-N 3.13Å |
| 384 | Y | 93.6 | Very high | 89.6 | Confident | 77 Ų | 77 | 45 Ų | 45 | 30% | 0.302 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 139.5 | 175 | -69.3 | -71.1 | 0 | 0 | 0 | 111.1 | P368 T406 C526 R527 | P368-Y384 HydrophobicContact CB-CD1 4.42Å; P368-Y384 HydrophobicContact CB-CD2 4.5Å; P368-Y384 HydrophobicContact CB-CE1 3.78Å; P368-Y384 HydrophobicContact CB-CE2 3.87Å; P368-Y384 VanDerWaalsContact CB-CZ 3.47Å; P368-Y384 HydrophobicContact CG-CD1 3.95Å; P368-Y384 HydrophobicContact CG-CE1 3.52Å; P368-Y384 HydrophobicContact CG-CE2 4.42Å; Y384-T406 WeakPolarHBondContact O-CA 3.4Å; Y384-C526 VanDerWaalsContact CD1-SG 3.53Å; Y384-R527 CarbonylContact C-O 3.55Å; Y384-R527 WeakPolarHBondContact CA-O 3.38Å |
| 385 | L | 93.1 | Very high | 89.4 | Confident | 16 Ų | 16 | 44 Ų | 44 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 112.8 | 169.4 | -172.7 | 68.3 | 0 | 0 | 0 | 108.8 | F387 A404 T406 C526 R527 H529 | L385-F387 HydrophobicContact CB-CE2 4.39Å; L385-F387 HydrophobicContact CD2-CE2 4.03Å; L385-F387 HydrophobicContact CD2-CZ 3.8Å; L385-F387 HydrophobicContact CG-CE2 4.06Å; L385-F387 HydrophobicContact CG-CZ 4.26Å; L385-F387 WeakPolarHBondContact O-CD2 3.34Å; L385-A404 HydrophobicContact CD1-CB 3.89Å; L385-A404 HydrophobicContact CD2-CB 4.04Å; L385-A404 HydrophobicContact CG-CB 3.94Å; L385-T406 HydrophobicContact CD1-CG2 3.84Å; L385-C526 WeakPolarHBondContact O-CA 3.34Å; L385-R527 PolarHBondContact N-O 3.12Å; L385-R527 PolarHBondContact O-N 2.86Å; L385-H529 HydrophobicContact CB-CB 3.68Å |
| 386 | Y | 94.9 | Very high | 89.1 | Confident | 22 Ų | 22 | 45.4 Ų | 45.4 | 9% | 0.086 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 128.2 | -177.2 | -58.6 | -90.8 | 0 | 0 | 0 | 109.7 | A404 T405 P408 V514 L523 C526 | Y386-A404 CarbonylContact O-C 3.54Å; Y386-A404 WeakPolarHBondContact O-CA 3.29Å; Y386-T405 WeakPolarHBondContact CD2-O 3.38Å; Y386-T405 PolarHBondContact N-O 3.32Å; Y386-T405 PolarHBondContact O-N 3.42Å; Y386-P408 HydrophobicContact CD2-CG 3.85Å; Y386-P408 HydrophobicContact CE2-CG 3.98Å; Y386-P408 HydrophobicContact CG-CG 4.2Å; Y386-V514 HydrophobicContact CD1-CG2 4.04Å; Y386-V514 HydrophobicContact CE1-CG1 4.18Å; Y386-V514 HydrophobicContact CE1-CG2 3.68Å; Y386-L523 HydrophobicContact CD1-CD1 4.13Å; Y386-C526 HydrophobicContact CD1-CB 4.32Å |
| 387 | F | 96.1 | Very high | 88.7 | Confident | 17 Ų | 17 | 49.3 Ų | 49.3 | 8% | 0.075 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 108 | 179 | -68.3 | -99.8 | 0 | 0 | 0 | 109.2 | L385 T402 I403 A404 T458 M524 D525 R527 | L385-F387 HydrophobicContact CB-CE2 4.39Å; L385-F387 HydrophobicContact CD2-CE2 4.03Å; L385-F387 HydrophobicContact CD2-CZ 3.8Å; L385-F387 HydrophobicContact CG-CE2 4.06Å; L385-F387 HydrophobicContact CG-CZ 4.26Å; L385-F387 WeakPolarHBondContact O-CD2 3.34Å; F387-T402 HydrophobicContact CB-CG2 3.87Å; F387-T402 HydrophobicContact CD1-CG2 4.29Å; F387-I403 WeakPolarHBondContact CA-O 3.47Å; F387-A404 HydrophobicContact CD1-CB 4.16Å; F387-A404 HydrophobicContact CE1-CB 3.98Å; F387-A404 HydrophobicContact CZ-CB 4.4Å; F387-T458 HydrophobicContact CD1-CG2 3.65Å; F387-T458 HydrophobicContact CE1-CG2 3.77Å; F387-M524 HydrophobicContact CB-CB 4.28Å; F387-M524 PolarHBondContact O-N 2.9Å; F387-D525 HydrophobicContact CB-CB 4.02Å; F387-D525 HydrophobicContact CD2-CB 3.91Å; F387-D525 HydrophobicContact CG-CB 4.15Å; F387-D525 PolarHBondContact N-O 2.81Å; F387-R527 HydrophobicContact CD2-CG 4.45Å; F387-R527 HydrophobicContact CE2-CB 4.1Å; F387-R527 HydrophobicContact CE2-CG 3.81Å |
| 388 | I | 95.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.8 | -168.2 | -51.2 | 170.3 | 0 | 0 | 0 | 109.8 | Y390 T402 I403 T405 P408 M411 P437 L517 L522 L523 | I388-Y390 HydrophobicContact CB-CE2 4.13Å; I388-Y390 HydrophobicContact CG2-CD2 4.32Å; I388-Y390 HydrophobicContact CG2-CE2 3.96Å; I388-T402 CarbonylContact O-C 3.6Å; I388-T402 WeakPolarHBondContact O-CA 3.43Å; I388-I403 PolarHBondContact N-O 3.41Å; I388-I403 PolarHBondContact O-N 2.71Å; I388-T405 HydrophobicContact CD1-CG2 3.75Å; I388-P408 HydrophobicContact CD1-CB 4.11Å; I388-M411 HydrophobicContact CD1-CE 3.76Å; I388-M411 HydrophobicContact CG2-CE 4.1Å; I388-P437 HydrophobicContact CG2-CG 4.21Å; I388-L517 HydrophobicContact CD1-CD1 3.7Å; I388-L517 HydrophobicContact CG1-CD1 4.01Å; I388-L517 HydrophobicContact CG2-CD1 4.07Å; I388-L517 HydrophobicContact CG2-CD2 3.81Å; I388-L522 WeakPolarHBondContact CA-O 3.37Å; I388-L523 HydrophobicContact CG1-CD1 4.17Å |
| 389 | N | 94.5 | Very high | 88.5 | Confident | 20 Ų | 20 | 43.1 Ų | 43.1 | 11% | 0.107 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 126.3 | 175.9 | -81.2 | -13.9 | 0 | 0 | 0 | 112.1 | S400 T402 L522 M524 | N389-S400 VanDerWaalsContact CG-OG 3.29Å; N389-S400 PolarHBondContact ND2-OG 2.9Å; N389-T402 WeakPolarHBondContact OD1-CB 3.35Å; N389-T402 PolarHBondContact OD1-OG1 3.32Å; N389-L522 HydrophobicContact CB-CD2 4.33Å; N389-L522 PolarHBondContact N-O 3.13Å; N389-M524 VanDerWaalsContact CG-CG 3.49Å; N389-M524 VanDerWaalsContact ND2-CG 3.29Å; N389-M524 WeakPolarHBondContact ND2-CG 3.42Å; N389-M524 PolarHBondContact ND2-SD 3.45Å; N389-M524 WeakPolarHBondContact OD1-CG 3.29Å |
| 390 | Y | 94.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 110 | 170.8 | -76.3 | -121.3 | 0 | 0 | 0 | 107.9 | I388 S400 I401 I403 M411 D414 I417 V434 P437 L444 | I388-Y390 HydrophobicContact CB-CE2 4.13Å; I388-Y390 HydrophobicContact CG2-CD2 4.32Å; I388-Y390 HydrophobicContact CG2-CE2 3.96Å; Y390-S400 CarbonylContact O-C 3.47Å; Y390-S400 VanDerWaalsContact O-CA 3.25Å; Y390-S400 WeakPolarHBondContact O-CA 3.14Å; Y390-S400 WeakPolarHBondContact O-CB 3.44Å; Y390-I401 PolarHBondContact N-O 3.39Å; Y390-I401 PolarHBondContact O-N 3.28Å; Y390-I403 HydrophobicContact CD1-CD1 4.2Å; Y390-I403 HydrophobicContact CD2-CB 4.14Å; Y390-I403 HydrophobicContact CD2-CD1 3.74Å; Y390-I403 HydrophobicContact CD2-CG1 3.87Å; Y390-I403 HydrophobicContact CE1-CD1 4.38Å; Y390-I403 HydrophobicContact CE2-CB 4.08Å; Y390-I403 HydrophobicContact CE2-CD1 3.96Å; Y390-I403 HydrophobicContact CE2-CG1 4.21Å; Y390-I403 HydrophobicContact CG-CD1 3.9Å; Y390-I403 HydrophobicContact CG-CG1 4.37Å; Y390-M411 HydrophobicContact CE2-CE 4.18Å; Y390-M411 WeakPolarHBondContact OH-CE 3.49Å; Y390-D414 WeakPolarHBondContact CE1-OD2 3.39Å; Y390-D414 PolarHBondContact OH-OD2 3.43Å; Y390-I417 HydrophobicContact CD1-CD1 3.98Å; Y390-I417 HydrophobicContact CE1-CD1 3.98Å; Y390-V434 HydrophobicContact CD1-CG2 4.15Å; Y390-P437 VanDerWaalsContact CD1-CD 3.4Å; Y390-P437 HydrophobicContact CD1-CG 3.87Å; Y390-P437 HydrophobicContact CD2-CG 3.67Å; Y390-P437 HydrophobicContact CE1-CG 3.86Å; Y390-P437 HydrophobicContact CE2-CG 3.64Å; Y390-P437 HydrophobicContact CG-CG 3.76Å; Y390-L444 HydrophobicContact CD1-CD1 4.25Å; Y390-L444 HydrophobicContact CE1-CD1 3.99Å |
| 391 | P | 93.1 | Very high | 88.7 | Confident | 45 Ų | 45 | 43 Ų | 43 | 29% | 0.292 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 138.9 | -178.8 | -23.7 | 33.8 | 0 | 0 | 0 | 112.1 | V434 R435 | P391-V434 CarbonylContact O-C 3.5Å; P391-V434 VanDerWaalsContact O-CA 3.31Å; P391-V434 WeakPolarHBondContact O-CA 3.39Å; P391-V434 WeakPolarHBondContact O-CB 3.42Å; P391-R435 HydrophobicContact CB-CB 4.48Å; P391-R435 WeakPolarHBondContact CD-O 3.36Å; P391-R435 PolarHBondContact O-N 3.24Å |
| 392 | I | 91.7 | Very high | 88.8 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -77.3 | 128 | 175.4 | -59.6 | 172.1 | 0 | 0 | 0 | 108.5 | D394 S395 Q399 L429 V434 | I392-D394 VanDerWaalsContact C-N 3.3Å; I392-D394 PolarHBondContact O-N 3.27Å; I392-S395 PolarHBondContact O-N 2.87Å; I392-Q399 WeakPolarHBondContact CB-O 3.42Å; I392-Q399 HydrophobicContact CD1-CB 3.84Å; I392-Q399 PolarHBondContact N-O 3.2Å; I392-L429 HydrophobicContact CD1-CD1 4.32Å; I392-L429 HydrophobicContact CD1-CD2 3.73Å; I392-V434 HydrophobicContact CG1-CG1 4.41Å |
| 393 | A | 86.1 | Confident | 88.8 | Confident | 24 Ų | 24 | 42.2 Ų | 42.2 | 20% | 0.198 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -38.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | H433 L443 | A393-H433 HydrophobicContact CB-CB 4.22Å; A393-H433 WeakPolarHBondContact CB-O 3.38Å; A393-H433 PolarHBondContact N-O 2.76Å; A393-L443 HydrophobicContact CB-CD2 3.59Å |
| 394 | D | 82.2 | Confident | 88.8 | Confident | 120 Ų | 120 | 42.7 Ų | 42.7 | 64% | 0.642 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 19 | -174.6 | -46.7 | -38.7 | 0 | 0 | 0 | 112.8 | I392 | I392-D394 VanDerWaalsContact C-N 3.3Å; I392-D394 PolarHBondContact O-N 3.27Å |
| 395 | S | 78.4 | Confident | 88.7 | Confident | 26 Ų | 26 | 39.8 Ų | 39.8 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | trans | -85.3 | 118.2 | 180 | -171.4 | 0 | 0 | 0 | 0 | 111.9 | I392 N397 Q399 | I392-S395 PolarHBondContact O-N 2.87Å; S395-N397 PolarHBondContact O-N 3.46Å; S395-N397 PolarHBondContact OG-N 3.44Å; S395-Q399 VanDerWaalsContact OG-CB 3.25Å; S395-Q399 WeakPolarHBondContact OG-CB 3.28Å; S395-Q399 WeakPolarHBondContact OG-CG 3.21Å; S395-Q399 PolarHBondContact OG-N 3.15Å; S395-Q399 VanDerWaalsContact OG-N 3.08Å; S395-Q399 PolarHBondContact OG-OE1 2.98Å | ||
| 396 | S | 70.8 | Confident | 88.6 | Confident | 117 Ų | 117 | 41.1 Ų | 41.1 | 82% | 0.818 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -22 | 170 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 397 | N | 73.1 | Confident | 88.5 | Confident | 127 Ų | 127 | 42.3 Ų | 42.3 | 68% | 0.679 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 11.4 | -170.1 | -60.4 | 9 | 0 | 0 | 0 | 112.6 | S395 Q399 | S395-N397 PolarHBondContact O-N 3.46Å; S395-N397 PolarHBondContact OG-N 3.44Å; N397-Q399 VanDerWaalsContact C-N 3.26Å; N397-Q399 HydrophobicContact CB-CG 4.34Å; N397-Q399 PolarHBondContact O-N 3.3Å |
| 398 | G | 75.8 | Confident | 88.5 | Confident | 66 Ų | 66 | 41.5 Ų | 41.5 | 68% | 0.68 | 26% | 0.256 | S | S | * | . | trans | 65.7 | 25.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 399 | Q | 86.9 | Confident | 88.4 | Confident | 103 Ų | 103 | 41.4 Ų | 41.4 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | trans | -64 | 144.5 | 178.5 | -65.8 | 173.4 | -26.7 | 0 | 0 | 111.2 | I392 S395 N397 | I392-Q399 WeakPolarHBondContact CB-O 3.42Å; I392-Q399 HydrophobicContact CD1-CB 3.84Å; I392-Q399 PolarHBondContact N-O 3.2Å; S395-Q399 VanDerWaalsContact OG-CB 3.25Å; S395-Q399 WeakPolarHBondContact OG-CB 3.28Å; S395-Q399 WeakPolarHBondContact OG-CG 3.21Å; S395-Q399 PolarHBondContact OG-N 3.15Å; S395-Q399 VanDerWaalsContact OG-N 3.08Å; S395-Q399 PolarHBondContact OG-OE1 2.98Å; N397-Q399 VanDerWaalsContact C-N 3.26Å; N397-Q399 HydrophobicContact CB-CG 4.34Å; N397-Q399 PolarHBondContact O-N 3.3Å | ||
| 400 | S | 91 | Very high | 88.4 | Confident | 44 Ų | 44 | 40.6 Ų | 40.6 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 156.3 | 177.4 | 55.9 | 0 | 0 | 0 | 0 | 111.4 | N389 Y390 | N389-S400 VanDerWaalsContact CG-OG 3.29Å; N389-S400 PolarHBondContact ND2-OG 2.9Å; Y390-S400 CarbonylContact O-C 3.47Å; Y390-S400 VanDerWaalsContact O-CA 3.25Å; Y390-S400 WeakPolarHBondContact O-CA 3.14Å; Y390-S400 WeakPolarHBondContact O-CB 3.44Å |
| 401 | I | 92.6 | Very high | 88.3 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.2 | 164.6 | -168.7 | 171 | 0 | 0 | 0 | 109 | Y390 I403 I417 V419 Y426 L429 V434 A460 | Y390-I401 PolarHBondContact N-O 3.39Å; Y390-I401 PolarHBondContact O-N 3.28Å; I401-I403 HydrophobicContact CG2-CD1 4.43Å; I401-I403 HydrophobicContact CG2-CG1 4.34Å; I401-I417 HydrophobicContact CD1-CG2 4.21Å; I401-V419 HydrophobicContact CD1-CG1 4.27Å; I401-Y426 HydrophobicContact CD1-CD1 3.69Å; I401-Y426 HydrophobicContact CD1-CE1 3.9Å; I401-Y426 HydrophobicContact CD1-CG 4.35Å; I401-Y426 HydrophobicContact CG1-CD1 4.1Å; I401-Y426 HydrophobicContact CG1-CE1 3.84Å; I401-L429 HydrophobicContact CB-CD1 4.37Å; I401-L429 HydrophobicContact CD1-CD1 4Å; I401-L429 HydrophobicContact CG1-CD1 4.4Å; I401-V434 HydrophobicContact CG2-CG1 3.79Å; I401-A460 HydrophobicContact CD1-CB 3.84Å; I401-A460 HydrophobicContact CG1-CB 4.26Å |
| 402 | T | 94.1 | Very high | 88.3 | Confident | 40 Ų | 40 | 38.8 Ų | 38.8 | 25% | 0.245 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 125.6 | 176.1 | -47.7 | 0 | 0 | 0 | 0 | 109.9 | F387 I388 N389 T458 M524 | F387-T402 HydrophobicContact CB-CG2 3.87Å; F387-T402 HydrophobicContact CD1-CG2 4.29Å; I388-T402 CarbonylContact O-C 3.6Å; I388-T402 WeakPolarHBondContact O-CA 3.43Å; N389-T402 WeakPolarHBondContact OD1-CB 3.35Å; N389-T402 PolarHBondContact OD1-OG1 3.32Å; T402-T458 HydrophobicContact CG2-CG2 4.18Å; T402-T458 WeakPolarHBondContact O-CB 3.22Å; T402-T458 WeakPolarHBondContact O-CG2 3.13Å; T402-T458 PolarHBondContact O-OG1 3.31Å; T402-M524 HydrophobicContact CG2-CG 4.36Å |
| 403 | I | 93.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132 | -178.6 | -57.5 | -166.4 | 0 | 0 | 0 | 109.3 | F387 I388 Y390 I401 I417 K462 | F387-I403 WeakPolarHBondContact CA-O 3.47Å; I388-I403 PolarHBondContact N-O 3.41Å; I388-I403 PolarHBondContact O-N 2.71Å; Y390-I403 HydrophobicContact CD1-CD1 4.2Å; Y390-I403 HydrophobicContact CD2-CB 4.14Å; Y390-I403 HydrophobicContact CD2-CD1 3.74Å; Y390-I403 HydrophobicContact CD2-CG1 3.87Å; Y390-I403 HydrophobicContact CE1-CD1 4.38Å; Y390-I403 HydrophobicContact CE2-CB 4.08Å; Y390-I403 HydrophobicContact CE2-CD1 3.96Å; Y390-I403 HydrophobicContact CE2-CG1 4.21Å; Y390-I403 HydrophobicContact CG-CD1 3.9Å; Y390-I403 HydrophobicContact CG-CG1 4.37Å; I401-I403 HydrophobicContact CG2-CD1 4.43Å; I401-I403 HydrophobicContact CG2-CG1 4.34Å; I403-I417 HydrophobicContact CD1-CB 4.12Å; I403-I417 HydrophobicContact CD1-CD1 3.13Å; I403-I417 HydrophobicContact CD1-CG1 3.57Å; I403-I417 HydrophobicContact CD1-CG2 3.48Å; I403-I417 VanDerWaalsContact CD1-CG2 3.48Å; I403-I417 HydrophobicContact CG1-CG2 4.35Å; I403-K462 HydrophobicContact CG2-CB 4.12Å |
| 404 | A | 92.1 | Very high | 88.8 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 129 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L385 Y386 F387 T458 | L385-A404 HydrophobicContact CD1-CB 3.89Å; L385-A404 HydrophobicContact CD2-CB 4.04Å; L385-A404 HydrophobicContact CG-CB 3.94Å; Y386-A404 CarbonylContact O-C 3.54Å; Y386-A404 WeakPolarHBondContact O-CA 3.29Å; F387-A404 HydrophobicContact CD1-CB 4.16Å; F387-A404 HydrophobicContact CE1-CB 3.98Å; F387-A404 HydrophobicContact CZ-CB 4.4Å; A404-T458 HydrophobicContact CB-CG2 4.47Å |
| 405 | T | 92.4 | Very high | 89.4 | Confident | 16 Ų | 16 | 33.1 Ų | 33.1 | 10% | 0.098 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 145.5 | 174.6 | -172 | 0 | 0 | 0 | 0 | 112.1 | Y386 I388 R407 P408 K462 | Y386-T405 WeakPolarHBondContact CD2-O 3.38Å; Y386-T405 PolarHBondContact N-O 3.32Å; Y386-T405 PolarHBondContact O-N 3.42Å; I388-T405 HydrophobicContact CD1-CG2 3.75Å; T405-R407 PolarHBondContact OG1-N 3.42Å; T405-P408 HydrophobicContact CG2-CB 4.46Å; T405-K462 HydrophobicContact CG2-CD 4.18Å; T405-K462 VanDerWaalsContact OG1-CE 3.23Å; T405-K462 WeakPolarHBondContact OG1-CE 3.41Å |
| 406 | T | 91.7 | Very high | 90.2 | Very high | 45 Ų | 45 | 31.9 Ų | 31.9 | 28% | 0.276 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -89 | -7.2 | 172.4 | 56 | 0 | 0 | 0 | 0 | 112.7 | Y384 L385 | Y384-T406 WeakPolarHBondContact O-CA 3.4Å; L385-T406 HydrophobicContact CD1-CG2 3.84Å |
| 407 | R | 92.9 | Very high | 91.4 | Very high | 46 Ų | 46 | 26.3 Ų | 26.3 | 17% | 0.174 | 16% | 0.157 | C | C | . | . | trans | -133.7 | 70.3 | -172.8 | -60.3 | -168 | 66.2 | -168.4 | 2.1 | 111.5 | T405 E409 T410 H467 E544 | T405-R407 PolarHBondContact OG1-N 3.42Å; R407-E409 WeakPolarHBondContact CA-OE2 3.41Å; R407-E409 IonicContact NE-OE1 2.84Å; R407-E409 PolarHBondContact NE-OE1 2.87Å; R407-E409 IonicContact NH2-OE1 3.45Å; R407-E409 PolarHBondContact O-N 3.12Å; R407-T410 HydrophobicContact CB-CG2 4.1Å; R407-T410 VanDerWaalsContact CZ-CG2 3.46Å; R407-T410 PolarHBondContact O-N 2.93Å; R407-T410 VanDerWaalsContact O-N 3.16Å; R407-T410 PolarHBondContact O-OG1 2.97Å; R407-H467 PolarHBondContact NH1-O 3.33Å; R407-E544 IonicContact CZ-OE1 2.66Å; R407-E544 VanDerWaalsContact CZ-OE1 3.29Å; R407-E544 IonicContact CZ-OE2 2.91Å; R407-E544 IonicContact NH1-OE1 3.3Å; R407-E544 PolarHBondContact NH1-OE1 3.14Å; R407-E544 IonicContact NH1-OE2 3.68Å; R407-E544 IonicContact NH2-OE1 3.59Å; R407-E544 PolarHBondContact NH2-OE1 2.85Å; R407-E544 IonicContact NH2-OE2 3.42Å; R407-E544 PolarHBondContact NH2-OE2 3.25Å | ||
| 408 | P | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -62.5 | -26.5 | -179.4 | 26.5 | -33.5 | 0 | 0 | 0 | 112.2 | Y386 I388 T405 T410 M411 R510 I513 V514 | Y386-P408 HydrophobicContact CD2-CG 3.85Å; Y386-P408 HydrophobicContact CE2-CG 3.98Å; Y386-P408 HydrophobicContact CG-CG 4.2Å; I388-P408 HydrophobicContact CD1-CB 4.11Å; T405-P408 HydrophobicContact CG2-CB 4.46Å; P408-T410 PolarHBondContact O-N 3.49Å; P408-M411 VanDerWaalsContact O-CB 3.31Å; P408-M411 WeakPolarHBondContact O-CB 3.41Å; P408-M411 WeakPolarHBondContact O-CG 3.23Å; P408-M411 PolarHBondContact O-N 3.44Å; P408-M411 VanDerWaalsContact O-N 3.12Å; P408-R510 HydrophobicContact CG-CG 3.93Å; P408-I513 HydrophobicContact CB-CG2 4.11Å; P408-V514 HydrophobicContact CB-CG2 4.42Å; P408-V514 HydrophobicContact CG-CG2 3.8Å |
| 409 | E | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -63 | -22.5 | 176.7 | 71.2 | -77.3 | -175.5 | 0 | 0 | 114.6 | R407 M411 R506 R510 | R407-E409 WeakPolarHBondContact CA-OE2 3.41Å; R407-E409 IonicContact NE-OE1 2.84Å; R407-E409 PolarHBondContact NE-OE1 2.87Å; R407-E409 IonicContact NH2-OE1 3.45Å; R407-E409 PolarHBondContact O-N 3.12Å; E409-M411 VanDerWaalsContact C-N 3.31Å; E409-R506 WeakPolarHBondContact CB-O 3.42Å; E409-R510 HydrophobicContact CB-CB 3.94Å; E409-R510 VanDerWaalsContact CD-NE 3.33Å; E409-R510 HydrophobicContact CG-CB 4.4Å; E409-R510 IonicContact OE1-CZ 2.72Å; E409-R510 IonicContact OE1-NE 3.14Å; E409-R510 PolarHBondContact OE1-NE 2.78Å; E409-R510 IonicContact OE1-NH2 3.29Å; E409-R510 PolarHBondContact OE1-NH2 2.88Å; E409-R510 WeakPolarHBondContact OE2-CG 3.31Å; E409-R510 IonicContact OE2-CZ 3.18Å; E409-R510 IonicContact OE2-NE 2.64Å; E409-R510 PolarHBondContact OE2-NE 3.46Å; E409-R510 IonicContact OE2-NH2 3.92Å; E409-R510 PolarHBondContact OE2-NH2 3.08Å |
| 410 | T | 94.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.012 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -85.8 | -5.6 | 179 | 66.2 | 0 | 0 | 0 | 0 | 112.8 | R407 P408 L412 A413 K462 T464 H467 I487 | R407-T410 HydrophobicContact CB-CG2 4.1Å; R407-T410 VanDerWaalsContact CZ-CG2 3.46Å; R407-T410 PolarHBondContact O-N 2.93Å; R407-T410 VanDerWaalsContact O-N 3.16Å; R407-T410 PolarHBondContact O-OG1 2.97Å; P408-T410 PolarHBondContact O-N 3.49Å; T410-L412 PolarHBondContact O-N 3.22Å; T410-L412 VanDerWaalsContact O-N 3.11Å; T410-A413 PolarHBondContact O-N 2.73Å; T410-K462 PolarHBondContact OG1-NZ 3.39Å; T410-T464 WeakPolarHBondContact O-CG2 3.47Å; T410-H467 HydrophobicContact CG2-CB 3.81Å; T410-I487 HydrophobicContact CG2-CD1 4.06Å |
| 411 | M | 93.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -61 | -26.4 | -172.8 | 78.1 | -168.8 | -33 | 0 | 0 | 113.7 | I388 Y390 P408 E409 A413 D414 H436 P437 L438 K462 I513 L517 | I388-M411 HydrophobicContact CD1-CE 3.76Å; I388-M411 HydrophobicContact CG2-CE 4.1Å; Y390-M411 HydrophobicContact CE2-CE 4.18Å; Y390-M411 WeakPolarHBondContact OH-CE 3.49Å; P408-M411 VanDerWaalsContact O-CB 3.31Å; P408-M411 WeakPolarHBondContact O-CB 3.41Å; P408-M411 WeakPolarHBondContact O-CG 3.23Å; P408-M411 PolarHBondContact O-N 3.44Å; P408-M411 VanDerWaalsContact O-N 3.12Å; E409-M411 VanDerWaalsContact C-N 3.31Å; M411-A413 PolarHBondContact O-N 3.11Å; M411-D414 VanDerWaalsContact CA-OD1 3.27Å; M411-D414 WeakPolarHBondContact CA-OD1 3.35Å; M411-D414 VanDerWaalsContact O-CB 3.27Å; M411-D414 WeakPolarHBondContact O-CB 3.48Å; M411-D414 PolarHBondContact O-N 3.4Å; M411-H436 PolarHBondContact O-NE2 3.4Å; M411-P437 HydrophobicContact CE-CB 4.46Å; M411-P437 HydrophobicContact CE-CG 4.17Å; M411-L438 HydrophobicContact CG-CD1 4.4Å; M411-L438 HydrophobicContact SD-CD1 3.79Å; M411-L438 HydrophobicContact SD-CG 4.19Å; M411-K462 HydrophobicContact CB-CD 4.38Å; M411-I513 HydrophobicContact SD-CG2 3.65Å; M411-L517 HydrophobicContact CE-CD1 4.4Å; M411-L517 HydrophobicContact SD-CD1 4.29Å |
| 412 | L | 93.1 | Very high | 93.5 | Very high | 8 Ų | 8 | 18.1 Ų | 18.1 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -58.4 | -21.1 | 176 | -58 | 176.6 | 0 | 0 | 0 | 112.9 | T410 L438 L439 R442 C486 I493 L498 L501 I513 | T410-L412 PolarHBondContact O-N 3.22Å; T410-L412 VanDerWaalsContact O-N 3.11Å; L412-L438 HydrophobicContact CD2-CD1 4.23Å; L412-L439 HydrophobicContact CD2-CD1 4.43Å; L412-L439 HydrophobicContact CD2-CG 4.46Å; L412-R442 PolarHBondContact O-NH1 2.91Å; L412-C486 HydrophobicContact CB-CB 3.67Å; L412-I493 HydrophobicContact CD1-CG2 3.83Å; L412-L498 HydrophobicContact CD2-CD1 3.85Å; L412-L501 HydrophobicContact CD1-CD1 4.05Å; L412-L501 HydrophobicContact CD2-CD1 4.34Å; L412-I513 HydrophobicContact CD1-CD1 4.3Å; L412-I513 HydrophobicContact CG-CD1 4.3Å |
| 413 | A | 92.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.008 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -101.3 | 10.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T410 M411 E415 T464 C486 | T410-A413 PolarHBondContact O-N 2.73Å; M411-A413 PolarHBondContact O-N 3.11Å; A413-E415 PolarHBondContact O-N 2.78Å; A413-T464 HydrophobicContact CB-CG2 4.4Å; A413-C486 HydrophobicContact CB-CB 3.86Å |
| 414 | D | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -61.2 | 127.7 | -179.1 | -69.5 | -13.5 | 0 | 0 | 0 | 110.8 | Y390 M411 R442 L444 K462 V463 T464 | Y390-D414 WeakPolarHBondContact CE1-OD2 3.39Å; Y390-D414 PolarHBondContact OH-OD2 3.43Å; M411-D414 VanDerWaalsContact CA-OD1 3.27Å; M411-D414 WeakPolarHBondContact CA-OD1 3.35Å; M411-D414 VanDerWaalsContact O-CB 3.27Å; M411-D414 WeakPolarHBondContact O-CB 3.48Å; M411-D414 PolarHBondContact O-N 3.4Å; D414-R442 PolarHBondContact O-NH2 3.43Å; D414-L444 HydrophobicContact CB-CD1 3.73Å; D414-L444 WeakPolarHBondContact O-CD2 3.32Å; D414-K462 VanDerWaalsContact OD1-CD 3.26Å; D414-K462 WeakPolarHBondContact OD1-CD 2.95Å; D414-K462 IonicContact OD1-NZ 3.88Å; D414-K462 PolarHBondContact OD1-NZ 3.42Å; D414-V463 WeakPolarHBondContact CA-O 3.43Å; D414-T464 HydrophobicContact CB-CG2 4.43Å; D414-T464 WeakPolarHBondContact OD1-CG2 3.31Å | ||
| 415 | E | 94.6 | Very high | 93.2 | Very high | 36 Ų | 36 | 26.2 Ų | 26.2 | 17% | 0.168 | 15% | 0.147 | C | C | . | . | trans | -107.5 | -22.8 | 179.4 | -78.3 | -67.8 | 111.5 | 0 | 0 | 113.2 | A413 R442 P445 V463 P465 S481 K484 | A413-E415 PolarHBondContact O-N 2.78Å; E415-R442 IonicContact OE1-CZ 3.95Å; E415-R442 IonicContact OE1-NH2 3.79Å; E415-R442 PolarHBondContact OE1-NH2 2.77Å; E415-P445 WeakPolarHBondContact O-CD 3.42Å; E415-V463 PolarHBondContact N-O 2.87Å; E415-P465 HydrophobicContact CB-CG 4.45Å; E415-P465 HydrophobicContact CG-CG 4.45Å; E415-S481 WeakPolarHBondContact OE2-CB 3.19Å; E415-K484 HydrophobicContact CG-CB 4.47Å; E415-K484 WeakPolarHBondContact OE1-CD 3.46Å; E415-K484 IonicContact OE1-NZ 3.93Å | ||
| 416 | A | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 170.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | P445 I447 V463 L480 | A416-P445 WeakPolarHBondContact CA-O 3.15Å; A416-P445 HydrophobicContact CB-CG 4.02Å; A416-P445 WeakPolarHBondContact CB-O 3.43Å; A416-I447 HydrophobicContact CB-CD1 4.15Å; A416-I447 HydrophobicContact CB-CG1 4.16Å; A416-I447 HydrophobicContact CB-CG2 4.4Å; A416-V463 HydrophobicContact CB-CB 4.22Å; A416-V463 HydrophobicContact CB-CG2 4.25Å; A416-V463 PolarHBondContact O-N 3.09Å; A416-L480 HydrophobicContact CB-CD1 3.46Å; A416-L480 VanDerWaalsContact CB-CD1 3.46Å; A416-L480 HydrophobicContact CB-CD2 4.36Å |
| 417 | I | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122.1 | 164 | -52.9 | -44 | 0 | 0 | 0 | 107.9 | Y390 I401 I403 V434 L444 P445 V446 I447 A460 V461 K462 | Y390-I417 HydrophobicContact CD1-CD1 3.98Å; Y390-I417 HydrophobicContact CE1-CD1 3.98Å; I401-I417 HydrophobicContact CD1-CG2 4.21Å; I403-I417 HydrophobicContact CD1-CB 4.12Å; I403-I417 HydrophobicContact CD1-CD1 3.13Å; I403-I417 HydrophobicContact CD1-CG1 3.57Å; I403-I417 HydrophobicContact CD1-CG2 3.48Å; I403-I417 VanDerWaalsContact CD1-CG2 3.48Å; I403-I417 HydrophobicContact CG1-CG2 4.35Å; I417-V434 HydrophobicContact CD1-CG2 4.35Å; I417-V434 HydrophobicContact CG1-CG2 3.56Å; I417-L444 HydrophobicContact CD1-CD1 4.19Å; I417-P445 PolarHBondContact N-O 3.18Å; I417-V446 HydrophobicContact CB-CG2 4.36Å; I417-V446 CarbonylContact O-C 3.56Å; I417-V446 VanDerWaalsContact O-CA 3.29Å; I417-V446 WeakPolarHBondContact O-CA 3.34Å; I417-I447 PolarHBondContact O-N 2.85Å; I417-A460 HydrophobicContact CG2-CB 4.42Å; I417-V461 CarbonylContact C-O 3.54Å; I417-V461 WeakPolarHBondContact CA-O 3.4Å; I417-K462 HydrophobicContact CD1-CB 4.2Å |
| 418 | A | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 134.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | I447 V452 V461 V463 I474 | A418-I447 WeakPolarHBondContact CA-O 3.37Å; A418-I447 HydrophobicContact CB-CD1 4.17Å; A418-I447 HydrophobicContact CB-CG1 3.87Å; A418-V452 HydrophobicContact CB-CG2 3.58Å; A418-V461 HydrophobicContact CB-CG2 3.98Å; A418-V461 PolarHBondContact N-O 3.11Å; A418-V461 PolarHBondContact O-N 3.07Å; A418-V463 HydrophobicContact CB-CG2 3.57Å; A418-I474 HydrophobicContact CB-CG2 4.47Å |
| 419 | V | 94.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 155.2 | 173.8 | -62.3 | 0 | 0 | 0 | 0 | 109.4 | I401 Y426 V430 V446 I447 A448 D449 A460 | I401-V419 HydrophobicContact CD1-CG1 4.27Å; V419-Y426 HydrophobicContact CB-CD2 4.1Å; V419-Y426 HydrophobicContact CB-CG 4.27Å; V419-Y426 HydrophobicContact CG1-CD2 3.79Å; V419-Y426 HydrophobicContact CG1-CG 3.78Å; V419-V430 HydrophobicContact CG2-CG2 3.68Å; V419-V446 HydrophobicContact CG1-CG1 4.38Å; V419-V446 HydrophobicContact CG2-CG1 4.13Å; V419-I447 WeakPolarHBondContact CG2-O 3.13Å; V419-I447 PolarHBondContact N-O 3.4Å; V419-A448 CarbonylContact O-C 3.18Å; V419-A448 VanDerWaalsContact O-CA 3.27Å; V419-A448 WeakPolarHBondContact O-CA 3.33Å; V419-D449 PolarHBondContact O-N 2.99Å; V419-A460 HydrophobicContact CG1-CB 3.69Å |
| 420 | H | 93.8 | Very high | 92.3 | Very high | 41 Ų | 41 | 33.8 Ų | 33.8 | 19% | 0.19 | 20% | 0.202 | C | C | . | . | trans | -71.2 | 135.5 | 176.6 | -171.5 | -82.7 | 0 | 0 | 0 | 110.6 | A422 D423 V452 R454 | H420-A422 VanDerWaalsContact C-N 3.26Å; H420-A422 WeakPolarHBondContact ND1-CB 3.36Å; H420-A422 PolarHBondContact ND1-N 3.27Å; H420-A422 PolarHBondContact O-N 3.27Å; H420-D423 HydrophobicContact CB-CB 4.26Å; H420-D423 VanDerWaalsContact O-CB 3.26Å; H420-D423 WeakPolarHBondContact O-CB 3.39Å; H420-D423 PolarHBondContact O-N 2.89Å; H420-V452 HydrophobicContact CB-CB 4.4Å; H420-V452 WeakPolarHBondContact CB-O 3.45Å; H420-V452 PolarHBondContact CD2-O 2.99Å; H420-R454 HydrophobicContact CB-CG 3.49Å; H420-R454 VanDerWaalsContact CB-CG 3.49Å | ||
| 421 | P | 90.6 | Very high | 92 | Very high | 70 Ų | 70 | 36.6 Ų | 36.6 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -33.8 | -176.6 | 19.9 | -32.7 | 0 | 0 | 0 | 113.9 | D423 A448 D449 A450 | P421-D423 VanDerWaalsContact C-N 3.29Å; P421-D423 PolarHBondContact O-N 3.38Å; P421-A448 HydrophobicContact CB-CB 4.07Å; P421-D449 WeakPolarHBondContact CD-O 3.49Å; P421-A450 HydrophobicContact CG-CB 4.45Å |
| 422 | A | 89.3 | Confident | 92 | Very high | 62 Ų | 62 | 40.1 Ų | 40.1 | 51% | 0.512 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 8.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H420 S424 | H420-A422 VanDerWaalsContact C-N 3.26Å; H420-A422 WeakPolarHBondContact ND1-CB 3.36Å; H420-A422 PolarHBondContact ND1-N 3.27Å; H420-A422 PolarHBondContact O-N 3.27Å; A422-S424 PolarHBondContact O-N 3.5Å |
| 423 | D | 92.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | trans | -86.7 | 105 | 179.1 | -160.4 | -25.9 | 0 | 0 | 0 | 111.6 | H420 P421 R425 Y426 S427 R454 | H420-D423 HydrophobicContact CB-CB 4.26Å; H420-D423 VanDerWaalsContact O-CB 3.26Å; H420-D423 WeakPolarHBondContact O-CB 3.39Å; H420-D423 PolarHBondContact O-N 2.89Å; P421-D423 VanDerWaalsContact C-N 3.29Å; P421-D423 PolarHBondContact O-N 3.38Å; D423-R425 PolarHBondContact O-N 3.03Å; D423-R425 VanDerWaalsContact O-N 3.13Å; D423-R425 VanDerWaalsContact OD1-CB 3.26Å; D423-R425 WeakPolarHBondContact OD1-CB 3.34Å; D423-R425 WeakPolarHBondContact OD1-CG 3.43Å; D423-R425 IonicContact OD1-CZ 3.87Å; D423-R425 PolarHBondContact OD1-N 3.26Å; D423-R425 IonicContact OD1-NE 3.72Å; D423-R425 PolarHBondContact OD1-NE 2.97Å; D423-R425 IonicContact OD1-NH2 3.86Å; D423-R425 IonicContact OD2-CZ 2.89Å; D423-R425 VanDerWaalsContact OD2-CZ 3.29Å; D423-R425 IonicContact OD2-NE 2.78Å; D423-R425 PolarHBondContact OD2-NE 2.76Å; D423-R425 VanDerWaalsContact OD2-NE 3.14Å; D423-R425 IonicContact OD2-NH2 3.32Å; D423-R425 PolarHBondContact OD2-NH2 2.87Å; D423-Y426 HydrophobicContact CB-CD2 4.36Å; D423-Y426 PolarHBondContact O-N 3.03Å; D423-S427 PolarHBondContact O-N 3.14Å; D423-S427 VanDerWaalsContact O-N 3.1Å; D423-R454 HydrophobicContact CB-CG 4.39Å | ||
| 424 | S | 90.3 | Very high | 92.1 | Very high | 99 Ų | 99 | 43.6 Ų | 43.6 | 69% | 0.692 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -17.6 | 179.6 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | A422 Y426 | A422-S424 PolarHBondContact O-N 3.5Å; S424-Y426 VanDerWaalsContact C-N 3.3Å; S424-Y426 PolarHBondContact O-N 3.45Å |
| 425 | R | 90.9 | Very high | 92.1 | Very high | 123 Ų | 123 | 48.8 Ų | 48.8 | 46% | 0.464 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -30.6 | 176.8 | -61.6 | 175.4 | -69.8 | -174.8 | -2.7 | 112.4 | D423 R454 T458 | D423-R425 PolarHBondContact O-N 3.03Å; D423-R425 VanDerWaalsContact O-N 3.13Å; D423-R425 VanDerWaalsContact OD1-CB 3.26Å; D423-R425 WeakPolarHBondContact OD1-CB 3.34Å; D423-R425 WeakPolarHBondContact OD1-CG 3.43Å; D423-R425 IonicContact OD1-CZ 3.87Å; D423-R425 PolarHBondContact OD1-N 3.26Å; D423-R425 IonicContact OD1-NE 3.72Å; D423-R425 PolarHBondContact OD1-NE 2.97Å; D423-R425 IonicContact OD1-NH2 3.86Å; D423-R425 IonicContact OD2-CZ 2.89Å; D423-R425 VanDerWaalsContact OD2-CZ 3.29Å; D423-R425 IonicContact OD2-NE 2.78Å; D423-R425 PolarHBondContact OD2-NE 2.76Å; D423-R425 VanDerWaalsContact OD2-NE 3.14Å; D423-R425 IonicContact OD2-NH2 3.32Å; D423-R425 PolarHBondContact OD2-NH2 2.87Å; R425-R454 PolarHBondContact NH2-O 2.99Å; R425-T458 VanDerWaalsContact CZ-O 3.24Å; R425-T458 PolarHBondContact NH1-O 2.97Å; R425-T458 VanDerWaalsContact NH1-O 3.09Å; R425-T458 PolarHBondContact NH2-O 3.15Å |
| 426 | Y | 91.9 | Very high | 92.1 | Very high | 29 Ų | 29 | 47.1 Ų | 47.1 | 11% | 0.114 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | -4.1 | -169.3 | -53.6 | -57.8 | 0 | 0 | 0 | 114.3 | I401 V419 D423 S424 S428 L429 V430 T458 A460 | I401-Y426 HydrophobicContact CD1-CD1 3.69Å; I401-Y426 HydrophobicContact CD1-CE1 3.9Å; I401-Y426 HydrophobicContact CD1-CG 4.35Å; I401-Y426 HydrophobicContact CG1-CD1 4.1Å; I401-Y426 HydrophobicContact CG1-CE1 3.84Å; V419-Y426 HydrophobicContact CB-CD2 4.1Å; V419-Y426 HydrophobicContact CB-CG 4.27Å; V419-Y426 HydrophobicContact CG1-CD2 3.79Å; V419-Y426 HydrophobicContact CG1-CG 3.78Å; D423-Y426 HydrophobicContact CB-CD2 4.36Å; D423-Y426 PolarHBondContact O-N 3.03Å; S424-Y426 VanDerWaalsContact C-N 3.3Å; S424-Y426 PolarHBondContact O-N 3.45Å; Y426-S428 PolarHBondContact O-N 3.38Å; Y426-S428 VanDerWaalsContact O-N 3.13Å; Y426-L429 HydrophobicContact CD1-CD1 4.21Å; Y426-L429 WeakPolarHBondContact O-CA 3.24Å; Y426-L429 WeakPolarHBondContact O-CB 3.43Å; Y426-L429 PolarHBondContact O-N 2.88Å; Y426-V430 PolarHBondContact O-N 3.34Å; Y426-T458 WeakPolarHBondContact CE2-O 3.24Å; Y426-T458 PolarHBondContact OH-O 3.02Å; Y426-A460 HydrophobicContact CD2-CB 4.4Å; Y426-A460 HydrophobicContact CE1-CB 4.48Å; Y426-A460 HydrophobicContact CE2-CB 4Å |
| 427 | S | 85.1 | Confident | 91.9 | Very high | 69 Ų | 69 | 47.3 Ų | 47.3 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -35.4 | -177.1 | 58.7 | 0 | 0 | 0 | 0 | 113.8 | D423 L429 | D423-S427 PolarHBondContact O-N 3.14Å; D423-S427 VanDerWaalsContact O-N 3.1Å; S427-L429 VanDerWaalsContact C-N 3.26Å; S427-L429 PolarHBondContact O-N 3.14Å |
| 428 | S | 88.6 | Confident | 91.7 | Very high | 90 Ų | 90 | 47.6 Ų | 47.6 | 63% | 0.629 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -11.3 | 177.2 | 63.2 | 0 | 0 | 0 | 0 | 114.4 | Y426 R432 | Y426-S428 PolarHBondContact O-N 3.38Å; Y426-S428 VanDerWaalsContact O-N 3.13Å; S428-R432 WeakPolarHBondContact O-CD 3.31Å |
| 429 | L | 89.8 | Confident | 91.5 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 11% | 0.105 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -20.9 | 179.3 | -57.3 | -176.9 | 0 | 0 | 0 | 112.6 | I392 I401 Y426 S427 G431 R432 V446 | I392-L429 HydrophobicContact CD1-CD1 4.32Å; I392-L429 HydrophobicContact CD1-CD2 3.73Å; I401-L429 HydrophobicContact CB-CD1 4.37Å; I401-L429 HydrophobicContact CD1-CD1 4Å; I401-L429 HydrophobicContact CG1-CD1 4.4Å; Y426-L429 HydrophobicContact CD1-CD1 4.21Å; Y426-L429 WeakPolarHBondContact O-CA 3.24Å; Y426-L429 WeakPolarHBondContact O-CB 3.43Å; Y426-L429 PolarHBondContact O-N 2.88Å; S427-L429 VanDerWaalsContact C-N 3.26Å; S427-L429 PolarHBondContact O-N 3.14Å; L429-G431 PolarHBondContact O-N 3.28Å; L429-R432 VanDerWaalsContact O-CB 3.22Å; L429-R432 WeakPolarHBondContact O-CB 3.48Å; L429-R432 PolarHBondContact O-N 3.3Å; L429-V446 HydrophobicContact CB-CG1 4.24Å; L429-V446 WeakPolarHBondContact O-CB 3.32Å |
| 430 | V | 89.9 | Confident | 90.8 | Very high | 59 Ų | 59 | 51.4 Ų | 51.4 | 36% | 0.358 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 128.3 | 179 | 180 | 0 | 0 | 0 | 0 | 110.1 | V419 Y426 R432 A448 | V419-V430 HydrophobicContact CG2-CG2 3.68Å; Y426-V430 PolarHBondContact O-N 3.34Å; V430-R432 VanDerWaalsContact C-N 3.32Å; V430-A448 HydrophobicContact CG1-CB 3.86Å; V430-A448 HydrophobicContact CG2-CB 4.11Å |
| 431 | G | 89.4 | Confident | 90.4 | Very high | 60 Ų | 60 | 57 Ų | 57 | 62% | 0.619 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | -9.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | L429 V446 | L429-G431 PolarHBondContact O-N 3.28Å; G431-V446 PolarHBondContact N-O 3.36Å |
| 432 | R | 93.6 | Very high | 90.4 | Very high | 75 Ų | 75 | 55 Ų | 55 | 28% | 0.283 | 31% | 0.312 | S | S | . | . | trans | -85.4 | 174.3 | 171.5 | -57.6 | -176.4 | 65.8 | -173.6 | 0.7 | 111 | S428 L429 V430 V446 | S428-R432 WeakPolarHBondContact O-CD 3.31Å; L429-R432 VanDerWaalsContact O-CB 3.22Å; L429-R432 WeakPolarHBondContact O-CB 3.48Å; L429-R432 PolarHBondContact O-N 3.3Å; V430-R432 VanDerWaalsContact C-N 3.32Å; R432-V446 PolarHBondContact O-N 3.01Å | ||
| 433 | H | 94.3 | Very high | 90.7 | Very high | 79 Ų | 79 | 56.3 Ų | 56.3 | 37% | 0.366 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 142.2 | 178.3 | -62.3 | 78.9 | 0 | 0 | 0 | 111.5 | A393 L443 L444 | A393-H433 HydrophobicContact CB-CB 4.22Å; A393-H433 WeakPolarHBondContact CB-O 3.38Å; A393-H433 PolarHBondContact N-O 2.76Å; H433-L443 HydrophobicContact CB-CB 4.21Å; H433-L444 CarbonylContact C-O 3.48Å; H433-L444 VanDerWaalsContact CA-O 3.31Å; H433-L444 WeakPolarHBondContact CA-O 3.35Å |
| 434 | V | 94.1 | Very high | 90.7 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 148.6 | 167.3 | -58.6 | 0 | 0 | 0 | 0 | 109.6 | Y390 P391 I392 I401 I417 L443 L444 V446 | Y390-V434 HydrophobicContact CD1-CG2 4.15Å; P391-V434 CarbonylContact O-C 3.5Å; P391-V434 VanDerWaalsContact O-CA 3.31Å; P391-V434 WeakPolarHBondContact O-CA 3.39Å; P391-V434 WeakPolarHBondContact O-CB 3.42Å; I392-V434 HydrophobicContact CG1-CG1 4.41Å; I401-V434 HydrophobicContact CG2-CG1 3.79Å; I417-V434 HydrophobicContact CD1-CG2 4.35Å; I417-V434 HydrophobicContact CG1-CG2 3.56Å; V434-L443 CarbonylContact O-C 3.52Å; V434-L443 WeakPolarHBondContact O-CA 3.37Å; V434-L444 HydrophobicContact CG2-CB 3.91Å; V434-L444 PolarHBondContact N-O 3.34Å; V434-L444 PolarHBondContact O-N 2.86Å; V434-V446 HydrophobicContact CG1-CG2 3.82Å |
| 435 | R | 93.9 | Very high | 91 | Very high | 108 Ų | 108 | 53.4 Ų | 53.4 | 41% | 0.408 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 133.3 | 174.1 | -171.2 | 175 | -72.5 | -157.5 | 2.8 | 108.9 | P391 T440 L443 | P391-R435 HydrophobicContact CB-CB 4.48Å; P391-R435 WeakPolarHBondContact CD-O 3.36Å; P391-R435 PolarHBondContact O-N 3.24Å; R435-T440 WeakPolarHBondContact CD-O 3.34Å; R435-T440 WeakPolarHBondContact CG-O 3.45Å; R435-T440 PolarHBondContact NE-O 3.35Å; R435-L443 HydrophobicContact CB-CD2 4.34Å |
| 436 | H | 94.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | trans | -64.5 | 134.7 | 176.7 | -178.8 | -64.3 | 0 | 0 | 0 | 110.3 | M411 L438 L439 R442 L444 | M411-H436 PolarHBondContact O-NE2 3.4Å; H436-L438 PolarHBondContact ND1-N 3.35Å; H436-L438 PolarHBondContact O-N 3.06Å; H436-L439 HydrophobicContact CB-CB 4.28Å; H436-L439 PolarHBondContact ND1-N 3.25Å; H436-R442 HydrophobicContact CB-CB 4.08Å; H436-R442 PolarHBondContact N-O 2.72Å; H436-L444 HydrophobicContact CB-CD1 4.31Å | ||
| 437 | P | 92.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -56.6 | -42.6 | -174.4 | -30.5 | 36 | 0 | 0 | 0 | 115.3 | I388 Y390 M411 L517 L522 | I388-P437 HydrophobicContact CG2-CG 4.21Å; Y390-P437 VanDerWaalsContact CD1-CD 3.4Å; Y390-P437 HydrophobicContact CD1-CG 3.87Å; Y390-P437 HydrophobicContact CD2-CG 3.67Å; Y390-P437 HydrophobicContact CE1-CG 3.86Å; Y390-P437 HydrophobicContact CE2-CG 3.64Å; Y390-P437 HydrophobicContact CG-CG 3.76Å; M411-P437 HydrophobicContact CE-CB 4.46Å; M411-P437 HydrophobicContact CE-CG 4.17Å; P437-L517 HydrophobicContact CB-CD2 4.05Å; P437-L522 HydrophobicContact CB-CD1 4.01Å |
| 438 | L | 91.5 | Very high | 91.8 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -96 | -48.6 | -178.1 | -53.2 | -179 | 0 | 0 | 0 | 113.2 | M411 L412 H436 T440 L498 I513 W516 L517 | M411-L438 HydrophobicContact CG-CD1 4.4Å; M411-L438 HydrophobicContact SD-CD1 3.79Å; M411-L438 HydrophobicContact SD-CG 4.19Å; L412-L438 HydrophobicContact CD2-CD1 4.23Å; H436-L438 PolarHBondContact ND1-N 3.35Å; H436-L438 PolarHBondContact O-N 3.06Å; L438-T440 PolarHBondContact O-N 2.84Å; L438-L498 HydrophobicContact CB-CD1 4.25Å; L438-I513 HydrophobicContact CD1-CB 4.44Å; L438-I513 HydrophobicContact CD1-CD1 4.14Å; L438-I513 HydrophobicContact CD1-CG1 3.79Å; L438-I513 HydrophobicContact CD1-CG2 4.07Å; L438-W516 HydrophobicContact CD1-CE3 4.34Å; L438-W516 HydrophobicContact CD2-CB 4.36Å; L438-W516 HydrophobicContact CD2-CE3 4.17Å; L438-L517 HydrophobicContact CD2-CD2 4.02Å |
| 439 | L | 90 | Very high | 92.1 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -85.4 | 72.3 | 176.1 | -57.2 | 174 | 0 | 0 | 0 | 110.9 | L412 H436 N441 R442 E497 L498 | L412-L439 HydrophobicContact CD2-CD1 4.43Å; L412-L439 HydrophobicContact CD2-CG 4.46Å; H436-L439 HydrophobicContact CB-CB 4.28Å; H436-L439 PolarHBondContact ND1-N 3.25Å; L439-N441 PolarHBondContact O-N 2.91Å; L439-R442 HydrophobicContact CB-CB 4.13Å; L439-R442 VanDerWaalsContact O-CB 3.28Å; L439-R442 WeakPolarHBondContact O-CB 3.44Å; L439-R442 PolarHBondContact O-N 3.23Å; L439-E497 WeakPolarHBondContact CD1-OE2 3.5Å; L439-E497 HydrophobicContact CD2-CB 3.84Å; L439-E497 WeakPolarHBondContact CD2-OE2 2.98Å; L439-L498 HydrophobicContact CD2-CD1 3.51Å; L439-L498 HydrophobicContact CD2-CD2 4.3Å; L439-L498 HydrophobicContact CD2-CG 3.62Å; L439-L498 HydrophobicContact CG-CD1 4.29Å |
| 440 | T | 80.8 | Confident | 92.2 | Very high | 64 Ų | 64 | 44.7 Ų | 44.7 | 39% | 0.393 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -15.9 | -167.6 | 54.9 | 0 | 0 | 0 | 0 | 115.7 | R435 L438 R442 | R435-T440 WeakPolarHBondContact CD-O 3.34Å; R435-T440 WeakPolarHBondContact CG-O 3.45Å; R435-T440 PolarHBondContact NE-O 3.35Å; L438-T440 PolarHBondContact O-N 2.84Å; T440-R442 VanDerWaalsContact C-N 3.3Å |
| 441 | N | 85.5 | Confident | 92 | Very high | 159 Ų | 159 | 47.3 Ų | 47.3 | 85% | 0.85 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -5.8 | 174.9 | -65.6 | -18.9 | 0 | 0 | 0 | 112.8 | L439 | L439-N441 PolarHBondContact O-N 2.91Š|
| 442 | R | 90.6 | Very high | 92.1 | Very high | 29 Ų | 29 | 44.8 Ų | 44.8 | 11% | 0.109 | 24% | 0.236 | C | C | . | . | trans | -96.2 | 126.5 | -177.5 | -170.4 | 176.6 | 178.9 | -167.6 | -4.5 | 110.9 | L412 D414 E415 H436 L439 T440 L444 K484 | L412-R442 PolarHBondContact O-NH1 2.91Å; D414-R442 PolarHBondContact O-NH2 3.43Å; E415-R442 IonicContact OE1-CZ 3.95Å; E415-R442 IonicContact OE1-NH2 3.79Å; E415-R442 PolarHBondContact OE1-NH2 2.77Å; H436-R442 HydrophobicContact CB-CB 4.08Å; H436-R442 PolarHBondContact N-O 2.72Å; L439-R442 HydrophobicContact CB-CB 4.13Å; L439-R442 VanDerWaalsContact O-CB 3.28Å; L439-R442 WeakPolarHBondContact O-CB 3.44Å; L439-R442 PolarHBondContact O-N 3.23Å; T440-R442 VanDerWaalsContact C-N 3.3Å; R442-L444 HydrophobicContact CG-CD2 4.23Å; R442-K484 VanDerWaalsContact CZ-CE 3.47Å | ||
| 443 | L | 94.2 | Very high | 91.9 | Very high | 89 Ų | 89 | 45.3 Ų | 45.3 | 47% | 0.466 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 134.8 | 173.8 | -61.9 | -177.6 | 0 | 0 | 0 | 109.5 | A393 H433 V434 R435 | A393-L443 HydrophobicContact CB-CD2 3.59Å; H433-L443 HydrophobicContact CB-CB 4.21Å; V434-L443 CarbonylContact O-C 3.52Å; V434-L443 WeakPolarHBondContact O-CA 3.37Å; R435-L443 HydrophobicContact CB-CD2 4.34Å |
| 444 | L | 94.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128.5 | 178.1 | -56 | 176.9 | 0 | 0 | 0 | 108.8 | Y390 D414 I417 H433 V434 H436 R442 | Y390-L444 HydrophobicContact CD1-CD1 4.25Å; Y390-L444 HydrophobicContact CE1-CD1 3.99Å; D414-L444 HydrophobicContact CB-CD1 3.73Å; D414-L444 WeakPolarHBondContact O-CD2 3.32Å; I417-L444 HydrophobicContact CD1-CD1 4.19Å; H433-L444 CarbonylContact C-O 3.48Å; H433-L444 VanDerWaalsContact CA-O 3.31Å; H433-L444 WeakPolarHBondContact CA-O 3.35Å; V434-L444 HydrophobicContact CG2-CB 3.91Å; V434-L444 PolarHBondContact N-O 3.34Å; V434-L444 PolarHBondContact O-N 2.86Å; H436-L444 HydrophobicContact CB-CD1 4.31Å; R442-L444 HydrophobicContact CG-CD2 4.23Å |
| 445 | P | 95.9 | Very high | 91.4 | Very high | 37 Ų | 37 | 53.1 Ų | 53.1 | 24% | 0.24 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 147.4 | 175.2 | 29.7 | -35 | 0 | 0 | 0 | 111.1 | E415 A416 I417 I447 L480 | E415-P445 WeakPolarHBondContact O-CD 3.42Å; A416-P445 WeakPolarHBondContact CA-O 3.15Å; A416-P445 HydrophobicContact CB-CG 4.02Å; A416-P445 WeakPolarHBondContact CB-O 3.43Å; I417-P445 PolarHBondContact N-O 3.18Å; P445-I447 HydrophobicContact CB-CG2 4.45Å; P445-L480 HydrophobicContact CG-CD2 4.44Å |
| 446 | V | 95.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 117.1 | 167 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | I417 V419 L429 G431 R432 V434 | I417-V446 HydrophobicContact CB-CG2 4.36Å; I417-V446 CarbonylContact O-C 3.56Å; I417-V446 VanDerWaalsContact O-CA 3.29Å; I417-V446 WeakPolarHBondContact O-CA 3.34Å; V419-V446 HydrophobicContact CG1-CG1 4.38Å; V419-V446 HydrophobicContact CG2-CG1 4.13Å; L429-V446 HydrophobicContact CB-CG1 4.24Å; L429-V446 WeakPolarHBondContact O-CB 3.32Å; G431-V446 PolarHBondContact N-O 3.36Å; R432-V446 PolarHBondContact O-N 3.01Å; V434-V446 HydrophobicContact CG1-CG2 3.82Å |
| 447 | I | 95.3 | Very high | 90.5 | Very high | 21 Ų | 21 | 53 Ų | 53 | 11% | 0.108 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 156 | -177.5 | 62.7 | 166.9 | 0 | 0 | 0 | 111.1 | A416 I417 A418 V419 P445 V463 I474 H478 L480 | A416-I447 HydrophobicContact CB-CD1 4.15Å; A416-I447 HydrophobicContact CB-CG1 4.16Å; A416-I447 HydrophobicContact CB-CG2 4.4Å; I417-I447 PolarHBondContact O-N 2.85Å; A418-I447 WeakPolarHBondContact CA-O 3.37Å; A418-I447 HydrophobicContact CB-CD1 4.17Å; A418-I447 HydrophobicContact CB-CG1 3.87Å; V419-I447 WeakPolarHBondContact CG2-O 3.13Å; V419-I447 PolarHBondContact N-O 3.4Å; P445-I447 HydrophobicContact CB-CG2 4.45Å; I447-V463 HydrophobicContact CD1-CG2 4.41Å; I447-I474 HydrophobicContact CD1-CG2 3.78Å; I447-H478 HydrophobicContact CD1-CB 4.09Å; I447-L480 HydrophobicContact CD1-CD1 4.05Å |
| 448 | A | 94.1 | Very high | 90.3 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V419 P421 V430 H478 | V419-A448 CarbonylContact O-C 3.18Å; V419-A448 VanDerWaalsContact O-CA 3.27Å; V419-A448 WeakPolarHBondContact O-CA 3.33Å; P421-A448 HydrophobicContact CB-CB 4.07Å; V430-A448 HydrophobicContact CG1-CB 3.86Å; V430-A448 HydrophobicContact CG2-CB 4.11Å; A448-H478 PolarHBondContact O-CE1 3.44Å |
| 449 | D | 93.6 | Very high | 90.3 | Very high | 18 Ų | 18 | 53.3 Ų | 53.3 | 10% | 0.096 | 30% | 0.302 | C | S | . | . | trans | -135 | 133 | 177.5 | -162.6 | -67.2 | 0 | 0 | 0 | 111.2 | V419 P421 Q451 V452 I474 H478 | V419-D449 PolarHBondContact O-N 2.99Å; P421-D449 WeakPolarHBondContact CD-O 3.49Å; D449-Q451 PolarHBondContact O-N 3.07Å; D449-Q451 VanDerWaalsContact OD1-CB 3.23Å; D449-Q451 WeakPolarHBondContact OD1-CB 3.25Å; D449-Q451 VanDerWaalsContact OD1-CG 3.31Å; D449-Q451 WeakPolarHBondContact OD1-CG 3.31Å; D449-Q451 PolarHBondContact OD1-N 2.76Å; D449-V452 HydrophobicContact CB-CG2 4.3Å; D449-V452 PolarHBondContact O-N 3.24Å; D449-I474 HydrophobicContact CB-CG2 4.29Å; D449-H478 IonicContact OD2-CD2 2.61Å; D449-H478 PolarHBondContact OD2-CD2 3.3Å; D449-H478 VanDerWaalsContact OD2-CD2 3.32Å; D449-H478 IonicContact OD2-CE1 2.92Å; D449-H478 IonicContact OD2-NE2 3.8Å; D449-H478 PolarHBondContact OD2-NE2 3.35Å | ||
| 450 | A | 91.8 | Very high | 90.4 | Very high | 74 Ų | 74 | 52.6 Ų | 52.6 | 61% | 0.612 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -14.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P421 V452 | P421-A450 HydrophobicContact CG-CB 4.45Å; A450-V452 PolarHBondContact O-N 3.49Å |
| 451 | Q | 87.4 | Confident | 90.9 | Very high | 114 Ų | 114 | 51.7 Ų | 51.7 | 53% | 0.533 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -16.4 | 173.5 | -62.5 | -173.9 | -0.3 | 0 | 0 | 112.8 | D449 D453 I474 | D449-Q451 PolarHBondContact O-N 3.07Å; D449-Q451 VanDerWaalsContact OD1-CB 3.23Å; D449-Q451 WeakPolarHBondContact OD1-CB 3.25Å; D449-Q451 VanDerWaalsContact OD1-CG 3.31Å; D449-Q451 WeakPolarHBondContact OD1-CG 3.31Å; D449-Q451 PolarHBondContact OD1-N 2.76Å; Q451-D453 PolarHBondContact O-N 3.44Å; Q451-I474 HydrophobicContact CB-CD1 4.41Å; Q451-I474 HydrophobicContact CB-CG1 4.47Å |
| 452 | V | 90.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -74.5 | 119.1 | 178.4 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | A418 H420 D449 A450 R454 G459 V461 | A418-V452 HydrophobicContact CB-CG2 3.58Å; H420-V452 HydrophobicContact CB-CB 4.4Å; H420-V452 WeakPolarHBondContact CB-O 3.45Å; H420-V452 PolarHBondContact CD2-O 2.99Å; D449-V452 HydrophobicContact CB-CG2 4.3Å; D449-V452 PolarHBondContact O-N 3.24Å; A450-V452 PolarHBondContact O-N 3.49Å; V452-R454 PolarHBondContact O-N 2.69Å; V452-G459 WeakPolarHBondContact CG1-O 3.45Å; V452-V461 HydrophobicContact CG1-CG1 4.4Å; V452-V461 HydrophobicContact CG1-CG2 4.12Å; V452-V461 HydrophobicContact CG2-CG2 3.86Å |
| 453 | D | 89.1 | Confident | 91.6 | Very high | 86 Ų | 86 | 43 Ų | 43 | 46% | 0.46 | 25% | 0.248 | S | C | . | . | trans | -73.5 | 126.3 | 173.9 | -167.1 | -23.2 | 0 | 0 | 0 | 110.7 | Q451 D455 V456 | Q451-D453 PolarHBondContact O-N 3.44Å; D453-D455 VanDerWaalsContact C-N 3.28Å; D453-D455 PolarHBondContact O-N 2.96Å; D453-D455 PolarHBondContact OD1-N 2.93Å; D453-V456 HydrophobicContact CB-CB 4.18Å; D453-V456 HydrophobicContact CB-CG2 3.9Å; D453-V456 WeakPolarHBondContact OD2-CG2 3.5Å | ||
| 454 | R | 89.8 | Confident | 91.6 | Very high | 101 Ų | 101 | 39 Ų | 39 | 38% | 0.381 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -68.6 | -28.5 | 179.1 | -66 | 173.5 | 60.8 | -170.6 | -3.4 | 112.4 | H420 D423 R425 V452 | H420-R454 HydrophobicContact CB-CG 3.49Å; H420-R454 VanDerWaalsContact CB-CG 3.49Å; D423-R454 HydrophobicContact CB-CG 4.39Å; R425-R454 PolarHBondContact NH2-O 2.99Å; V452-R454 PolarHBondContact O-N 2.69Å |
| 455 | D | 87.7 | Confident | 91.3 | Very high | 146 Ų | 146 | 39 Ų | 39 | 78% | 0.781 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -95.8 | -10 | -169 | -61.5 | -33.9 | 0 | 0 | 0 | 112.4 | D453 | D453-D455 VanDerWaalsContact C-N 3.28Å; D453-D455 PolarHBondContact O-N 2.96Å; D453-D455 PolarHBondContact OD1-N 2.93Å |
| 456 | V | 83.5 | Confident | 91 | Very high | 72 Ų | 72 | 37.3 Ų | 37.3 | 44% | 0.436 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -92.2 | 123.8 | 179.4 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | D453 T458 G459 | D453-V456 HydrophobicContact CB-CB 4.18Å; D453-V456 HydrophobicContact CB-CG2 3.9Å; D453-V456 WeakPolarHBondContact OD2-CG2 3.5Å; V456-T458 PolarHBondContact O-N 3.3Å; V456-T458 VanDerWaalsContact O-N 3.13Å; V456-G459 PolarHBondContact O-N 3.25Å |
| 457 | G | 85.7 | Confident | 90.7 | Very high | 35 Ų | 35 | 37.5 Ų | 37.5 | 36% | 0.361 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | -110.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 458 | T | 89.5 | Confident | 90.5 | Very high | 17 Ų | 17 | 37.9 Ų | 37.9 | 10% | 0.104 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -9.6 | 174.1 | 56.3 | 0 | 0 | 0 | 0 | 113 | F387 T402 A404 R425 Y426 V456 A460 | F387-T458 HydrophobicContact CD1-CG2 3.65Å; F387-T458 HydrophobicContact CE1-CG2 3.77Å; T402-T458 HydrophobicContact CG2-CG2 4.18Å; T402-T458 WeakPolarHBondContact O-CB 3.22Å; T402-T458 WeakPolarHBondContact O-CG2 3.13Å; T402-T458 PolarHBondContact O-OG1 3.31Å; A404-T458 HydrophobicContact CB-CG2 4.47Å; R425-T458 VanDerWaalsContact CZ-O 3.24Å; R425-T458 PolarHBondContact NH1-O 2.97Å; R425-T458 VanDerWaalsContact NH1-O 3.09Å; R425-T458 PolarHBondContact NH2-O 3.15Å; Y426-T458 WeakPolarHBondContact CE2-O 3.24Å; Y426-T458 PolarHBondContact OH-O 3.02Å; V456-T458 PolarHBondContact O-N 3.3Å; V456-T458 VanDerWaalsContact O-N 3.13Å; T458-A460 VanDerWaalsContact C-N 3.26Å; T458-A460 PolarHBondContact OG1-N 3.5Å; T458-A460 PolarHBondContact OG1-O 3.05Å |
| 459 | G | 90.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 80.2 | 5.3 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114 | V452 V456 | V452-G459 WeakPolarHBondContact CG1-O 3.45Å; V456-G459 PolarHBondContact O-N 3.25Å |
| 460 | A | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | I401 I417 V419 Y426 T458 | I401-A460 HydrophobicContact CD1-CB 3.84Å; I401-A460 HydrophobicContact CG1-CB 4.26Å; I417-A460 HydrophobicContact CG2-CB 4.42Å; V419-A460 HydrophobicContact CG1-CB 3.69Å; Y426-A460 HydrophobicContact CD2-CB 4.4Å; Y426-A460 HydrophobicContact CE1-CB 4.48Å; Y426-A460 HydrophobicContact CE2-CB 4Å; T458-A460 VanDerWaalsContact C-N 3.26Å; T458-A460 PolarHBondContact OG1-N 3.5Å; T458-A460 PolarHBondContact OG1-O 3.05Å |
| 461 | V | 92.8 | Very high | 90 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 27% | 0.267 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 144.1 | -176.3 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | I417 A418 V452 | I417-V461 CarbonylContact C-O 3.54Å; I417-V461 WeakPolarHBondContact CA-O 3.4Å; A418-V461 HydrophobicContact CB-CG2 3.98Å; A418-V461 PolarHBondContact N-O 3.11Å; A418-V461 PolarHBondContact O-N 3.07Å; V452-V461 HydrophobicContact CG1-CG1 4.4Å; V452-V461 HydrophobicContact CG1-CG2 4.12Å; V452-V461 HydrophobicContact CG2-CG2 3.86Å |
| 462 | K | 94.7 | Very high | 90.1 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 3% | 0.03 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 135.3 | 168.9 | 67.8 | -170.9 | -156.2 | 64.3 | 0 | 109.4 | I403 T405 T410 M411 D414 I417 T464 | I403-K462 HydrophobicContact CG2-CB 4.12Å; T405-K462 HydrophobicContact CG2-CD 4.18Å; T405-K462 VanDerWaalsContact OG1-CE 3.23Å; T405-K462 WeakPolarHBondContact OG1-CE 3.41Å; T410-K462 PolarHBondContact OG1-NZ 3.39Å; M411-K462 HydrophobicContact CB-CD 4.38Å; D414-K462 VanDerWaalsContact OD1-CD 3.26Å; D414-K462 WeakPolarHBondContact OD1-CD 2.95Å; D414-K462 IonicContact OD1-NZ 3.88Å; D414-K462 PolarHBondContact OD1-NZ 3.42Å; I417-K462 HydrophobicContact CD1-CB 4.2Å; K462-T464 PolarHBondContact NZ-OG1 3.39Å |
| 463 | V | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 108.9 | 178.2 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | D414 E415 A416 A418 I447 P465 D471 I474 A475 L480 | D414-V463 WeakPolarHBondContact CA-O 3.43Å; E415-V463 PolarHBondContact N-O 2.87Å; A416-V463 HydrophobicContact CB-CB 4.22Å; A416-V463 HydrophobicContact CB-CG2 4.25Å; A416-V463 PolarHBondContact O-N 3.09Å; A418-V463 HydrophobicContact CB-CG2 3.57Å; I447-V463 HydrophobicContact CD1-CG2 4.41Å; V463-P465 HydrophobicContact CG1-CG 4.18Å; V463-P465 WeakPolarHBondContact O-CD 3.25Å; V463-D471 HydrophobicContact CG1-CB 3.97Å; V463-D471 WeakPolarHBondContact CG1-O 3.33Å; V463-I474 HydrophobicContact CG1-CG2 4.3Å; V463-I474 HydrophobicContact CG2-CG2 4.16Å; V463-A475 HydrophobicContact CG1-CB 4.11Å; V463-L480 HydrophobicContact CG1-CD1 4.2Å |
| 464 | T | 93.9 | Very high | 90.2 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | trans | -117.6 | 82.8 | 177 | 35.3 | 0 | 0 | 0 | 0 | 112.6 | T410 A413 D414 K462 S466 H467 S468 D471 | T410-T464 WeakPolarHBondContact O-CG2 3.47Å; A413-T464 HydrophobicContact CB-CG2 4.4Å; D414-T464 HydrophobicContact CB-CG2 4.43Å; D414-T464 WeakPolarHBondContact OD1-CG2 3.31Å; K462-T464 PolarHBondContact NZ-OG1 3.39Å; T464-S466 PolarHBondContact O-N 2.91Å; T464-S466 VanDerWaalsContact O-N 3.11Å; T464-H467 PolarHBondContact O-N 3.23Å; T464-S468 PolarHBondContact O-N 3.25Å; T464-D471 WeakPolarHBondContact CA-OD2 3.49Å; T464-D471 PolarHBondContact N-OD2 3.28Å; T464-D471 PolarHBondContact OG1-OD2 3.44Å | ||
| 465 | P | 89.7 | Confident | 90.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -58.4 | -36.3 | -168.3 | -28.6 | 40.7 | 0 | 0 | 0 | 113.3 | E415 V463 H467 F472 A475 S481 L482 | E415-P465 HydrophobicContact CB-CG 4.45Å; E415-P465 HydrophobicContact CG-CG 4.45Å; V463-P465 HydrophobicContact CG1-CG 4.18Å; V463-P465 WeakPolarHBondContact O-CD 3.25Å; P465-H467 PolarHBondContact O-N 3.18Å; P465-F472 HydrophobicContact CB-CD2 4.24Å; P465-F472 WeakPolarHBondContact O-CB 3.49Å; P465-F472 WeakPolarHBondContact O-CD2 3.11Å; P465-A475 HydrophobicContact CB-CB 3.82Å; P465-A475 HydrophobicContact CG-CB 3.25Å; P465-S481 WeakPolarHBondContact CG-O 3.44Å; P465-L482 HydrophobicContact CB-CD2 4.34Å |
| 466 | S | 88.4 | Confident | 90.3 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -77.6 | -3.3 | -178 | -62.4 | 0 | 0 | 0 | 0 | 115.2 | T464 K484 P547 | T464-S466 PolarHBondContact O-N 2.91Å; T464-S466 VanDerWaalsContact O-N 3.11Å; S466-K484 WeakPolarHBondContact CB-O 3.27Å; S466-K484 VanDerWaalsContact OG-C 3.25Å; S466-K484 PolarHBondContact OG-O 3.17Å; S466-P547 VanDerWaalsContact O-CD 3.29Å; S466-P547 WeakPolarHBondContact O-CD 3.47Å |
| 467 | H | 90.9 | Very high | 90.5 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 3% | 0.028 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -138.2 | 10.6 | -170.2 | -60.6 | -62.7 | 0 | 0 | 0 | 114 | R407 T410 T464 P465 C486 E544 P545 | R407-H467 PolarHBondContact NH1-O 3.33Å; T410-H467 HydrophobicContact CG2-CB 3.81Å; T464-H467 PolarHBondContact O-N 3.23Å; P465-H467 PolarHBondContact O-N 3.18Å; H467-C486 PolarHBondContact NE2-N 3.34Å; H467-C486 VanDerWaalsContact NE2-N 3.2Å; H467-C486 PolarHBondContact NE2-SG 3.26Å; H467-C486 VanDerWaalsContact NE2-SG 3.4Å; H467-E544 IonicContact CG-OE1 3.61Å; H467-E544 IonicContact ND1-OE1 2.84Å; H467-E544 PolarHBondContact ND1-OE1 2.86Å; H467-P545 VanDerWaalsContact C-CG 3.42Å; H467-P545 WeakPolarHBondContact CA-O 3.41Å; H467-P545 WeakPolarHBondContact O-CG 3.43Å |
| 468 | S | 90 | Very high | 90.8 | Very high | 30 Ų | 30 | 31.8 Ų | 31.8 | 21% | 0.21 | 17% | 0.168 | C | C | . | . | trans | -157.2 | 131.5 | 176.1 | 165.1 | 0 | 0 | 0 | 0 | 109.4 | T464 D471 F472 | T464-S468 PolarHBondContact O-N 3.25Å; S468-D471 WeakPolarHBondContact CB-OD1 3.24Å; S468-D471 VanDerWaalsContact CB-OD2 3.3Å; S468-D471 WeakPolarHBondContact CB-OD2 3.23Å; S468-D471 PolarHBondContact O-N 3.19Å; S468-D471 PolarHBondContact OG-N 3.14Å; S468-D471 PolarHBondContact OG-OD1 3.08Å; S468-F472 WeakPolarHBondContact O-CB 3.4Å; S468-F472 PolarHBondContact O-N 3.11Å | ||
| 469 | R | 87.8 | Confident | 90.8 | Very high | 128 Ų | 128 | 34.3 Ų | 34.3 | 48% | 0.483 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.6 | -40.4 | 179.1 | -175 | 173.4 | 176.5 | 168.2 | 0.8 | 111.8 | V344 F472 E473 | V344-R469 HydrophobicContact CB-CB 4.44Å; V344-R469 HydrophobicContact CG1-CB 4.23Å; R469-F472 WeakPolarHBondContact O-CB 3.5Å; R469-F472 PolarHBondContact O-N 3.49Å; R469-E473 IonicContact NE-OE1 3.48Å; R469-E473 WeakPolarHBondContact O-CG 3.33Å; R469-E473 PolarHBondContact O-N 3.12Å; R469-E473 VanDerWaalsContact O-N 3.09Å |
| 470 | A | 88.7 | Confident | 90.8 | Very high | 49 Ų | 49 | 35.9 Ų | 35.9 | 41% | 0.405 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.1 | -47.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | F472 E473 I474 | A470-F472 PolarHBondContact O-N 3.45Å; A470-E473 PolarHBondContact O-N 3.37Å; A470-E473 VanDerWaalsContact O-N 3.09Å; A470-I474 WeakPolarHBondContact O-CG1 3.21Å; A470-I474 PolarHBondContact O-N 2.83Å |
| 471 | D | 92.3 | Very high | 90.5 | Very high | 21 Ų | 21 | 38.4 Ų | 38.4 | 11% | 0.112 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -34.3 | 179.3 | -56 | 14 | 0 | 0 | 0 | 111.5 | V463 T464 S468 A475 | V463-D471 HydrophobicContact CG1-CB 3.97Å; V463-D471 WeakPolarHBondContact CG1-O 3.33Å; T464-D471 WeakPolarHBondContact CA-OD2 3.49Å; T464-D471 PolarHBondContact N-OD2 3.28Å; T464-D471 PolarHBondContact OG1-OD2 3.44Å; S468-D471 WeakPolarHBondContact CB-OD1 3.24Å; S468-D471 VanDerWaalsContact CB-OD2 3.3Å; S468-D471 WeakPolarHBondContact CB-OD2 3.23Å; S468-D471 PolarHBondContact O-N 3.19Å; S468-D471 PolarHBondContact OG-N 3.14Å; S468-D471 PolarHBondContact OG-OD1 3.08Å; D471-A475 WeakPolarHBondContact O-CB 3.42Å; D471-A475 PolarHBondContact O-N 2.94Å |
| 472 | F | 90.5 | Very high | 90.1 | Very high | 7 Ų | 7 | 38.1 Ų | 38.1 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 174.7 | -174 | -95.6 | 0 | 0 | 0 | 112 | Y342 V344 P465 S468 R469 A470 R476 L482 P547 | Y342-F472 HydrophobicContact CD1-CE2 4.38Å; Y342-F472 HydrophobicContact CD1-CZ 4.26Å; Y342-F472 HydrophobicContact CE1-CE2 4.34Å; Y342-F472 WeakPolarHBondContact O-CZ 3.46Å; V344-F472 HydrophobicContact CG2-CB 3.57Å; V344-F472 HydrophobicContact CG2-CD1 3.96Å; V344-F472 HydrophobicContact CG2-CD2 3.73Å; V344-F472 HydrophobicContact CG2-CE2 4.37Å; V344-F472 HydrophobicContact CG2-CG 3.49Å; V344-F472 VanDerWaalsContact CG2-CG 3.49Å; P465-F472 HydrophobicContact CB-CD2 4.24Å; P465-F472 WeakPolarHBondContact O-CB 3.49Å; P465-F472 WeakPolarHBondContact O-CD2 3.11Å; S468-F472 WeakPolarHBondContact O-CB 3.4Å; S468-F472 PolarHBondContact O-N 3.11Å; R469-F472 WeakPolarHBondContact O-CB 3.5Å; R469-F472 PolarHBondContact O-N 3.49Å; A470-F472 PolarHBondContact O-N 3.45Å; F472-R476 VanDerWaalsContact O-CB 3.23Å; F472-R476 WeakPolarHBondContact O-CB 3.14Å; F472-R476 PolarHBondContact O-N 2.86Å; F472-L482 HydrophobicContact CD2-CD2 4.14Å; F472-L482 HydrophobicContact CE2-CB 3.94Å; F472-L482 HydrophobicContact CE2-CD1 4.26Å; F472-L482 HydrophobicContact CE2-CD2 4.11Å; F472-L482 HydrophobicContact CE2-CG 4.34Å; F472-L482 HydrophobicContact CZ-CD1 4.14Å; F472-P547 HydrophobicContact CD2-CB 4.18Å; F472-P547 HydrophobicContact CE2-CB 3.69Å; F472-P547 HydrophobicContact CE2-CG 4.44Å; F472-P547 HydrophobicContact CZ-CB 4.41Å |
| 473 | E | 89.1 | Confident | 89.3 | Confident | 86 Ų | 86 | 44.9 Ų | 44.9 | 40% | 0.402 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.2 | -44 | 176.4 | -71.5 | 173.7 | -167 | 0 | 0 | 111.4 | R469 A470 R476 A477 | R469-E473 IonicContact NE-OE1 3.48Å; R469-E473 WeakPolarHBondContact O-CG 3.33Å; R469-E473 PolarHBondContact O-N 3.12Å; R469-E473 VanDerWaalsContact O-N 3.09Å; A470-E473 PolarHBondContact O-N 3.37Å; A470-E473 VanDerWaalsContact O-N 3.09Å; E473-R476 PolarHBondContact O-N 2.9Å; E473-A477 WeakPolarHBondContact O-CB 3.37Å; E473-A477 PolarHBondContact O-N 3.48Å |
| 474 | I | 91.6 | Very high | 88.8 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.6 | -52.3 | 172.8 | -66.4 | 171.3 | 0 | 0 | 0 | 110 | A418 I447 D449 Q451 V463 A470 R476 A477 H478 | A418-I474 HydrophobicContact CB-CG2 4.47Å; I447-I474 HydrophobicContact CD1-CG2 3.78Å; D449-I474 HydrophobicContact CB-CG2 4.29Å; Q451-I474 HydrophobicContact CB-CD1 4.41Å; Q451-I474 HydrophobicContact CB-CG1 4.47Å; V463-I474 HydrophobicContact CG1-CG2 4.3Å; V463-I474 HydrophobicContact CG2-CG2 4.16Å; A470-I474 WeakPolarHBondContact O-CG1 3.21Å; A470-I474 PolarHBondContact O-N 2.83Å; I474-R476 VanDerWaalsContact C-N 3.27Å; I474-R476 PolarHBondContact O-N 2.87Å; I474-A477 WeakPolarHBondContact O-CB 3.2Å; I474-A477 PolarHBondContact O-N 3.18Å; I474-H478 PolarHBondContact O-CD2 3.27Å; I474-H478 PolarHBondContact O-N 3.12Å |
| 475 | A | 91.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.5 | -37.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | V463 P465 D471 H478 G479 L480 L482 | V463-A475 HydrophobicContact CG1-CB 4.11Å; P465-A475 HydrophobicContact CB-CB 3.82Å; P465-A475 HydrophobicContact CG-CB 3.25Å; D471-A475 WeakPolarHBondContact O-CB 3.42Å; D471-A475 PolarHBondContact O-N 2.94Å; A475-H478 PolarHBondContact O-N 3.32Å; A475-G479 PolarHBondContact O-N 3.39Å; A475-L480 HydrophobicContact CB-CB 3.79Å; A475-L480 HydrophobicContact CB-CD1 4.15Å; A475-L480 HydrophobicContact CB-CG 4.44Å; A475-L480 PolarHBondContact O-N 3.08Å; A475-L482 HydrophobicContact CB-CD2 3.73Å |
| 476 | R | 87.5 | Confident | 88.5 | Confident | 108 Ų | 108 | 54.6 Ų | 54.6 | 41% | 0.408 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 174.7 | -177.8 | 179.7 | -75.4 | -163.1 | -11.4 | 111.3 | Y342 F472 E473 I474 L482 | Y342-R476 PolarHBondContact O-NH2 3.39Å; F472-R476 VanDerWaalsContact O-CB 3.23Å; F472-R476 WeakPolarHBondContact O-CB 3.14Å; F472-R476 PolarHBondContact O-N 2.86Å; E473-R476 PolarHBondContact O-N 2.9Å; I474-R476 VanDerWaalsContact C-N 3.27Å; I474-R476 PolarHBondContact O-N 2.87Å; R476-L482 HydrophobicContact CB-CD1 4.29Å; R476-L482 HydrophobicContact CB-CD2 4.12Å; R476-L482 HydrophobicContact CG-CD1 4.44Å |
| 477 | A | 89.7 | Confident | 88.7 | Confident | 77 Ų | 77 | 54.6 Ų | 54.6 | 64% | 0.636 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.2 | -34.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E473 I474 | E473-A477 WeakPolarHBondContact O-CB 3.37Å; E473-A477 PolarHBondContact O-N 3.48Å; I474-A477 WeakPolarHBondContact O-CB 3.2Å; I474-A477 PolarHBondContact O-N 3.18Å |
| 478 | H | 91.7 | Very high | 88.7 | Confident | 74 Ų | 74 | 56.6 Ų | 56.6 | 34% | 0.343 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 4.8 | -178.5 | -71.4 | -86.5 | 0 | 0 | 0 | 114.5 | I447 A448 D449 I474 A475 L480 | I447-H478 HydrophobicContact CD1-CB 4.09Å; A448-H478 PolarHBondContact O-CE1 3.44Å; D449-H478 IonicContact OD2-CD2 2.61Å; D449-H478 PolarHBondContact OD2-CD2 3.3Å; D449-H478 VanDerWaalsContact OD2-CD2 3.32Å; D449-H478 IonicContact OD2-CE1 2.92Å; D449-H478 IonicContact OD2-NE2 3.8Å; D449-H478 PolarHBondContact OD2-NE2 3.35Å; I474-H478 PolarHBondContact O-CD2 3.27Å; I474-H478 PolarHBondContact O-N 3.12Å; A475-H478 PolarHBondContact O-N 3.32Å; H478-L480 VanDerWaalsContact C-N 3.28Å; H478-L480 HydrophobicContact CB-CD1 4.48Å; H478-L480 HydrophobicContact CB-CG 4.12Å; H478-L480 PolarHBondContact O-N 3.2Å |
| 479 | G | 87.8 | Confident | 88.5 | Confident | 71 Ų | 71 | 56.7 Ų | 56.7 | 73% | 0.732 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 27.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A475 | A475-G479 PolarHBondContact O-N 3.39Š|
| 480 | L | 90.7 | Very high | 88.5 | Confident | 33 Ų | 33 | 52.6 Ų | 52.6 | 17% | 0.173 | 30% | 0.295 | C | S | . | . | trans | -78.9 | 166.4 | 175.3 | -57.6 | 177.9 | 0 | 0 | 0 | 111.3 | A416 P445 I447 V463 A475 H478 L482 | A416-L480 HydrophobicContact CB-CD1 3.46Å; A416-L480 VanDerWaalsContact CB-CD1 3.46Å; A416-L480 HydrophobicContact CB-CD2 4.36Å; P445-L480 HydrophobicContact CG-CD2 4.44Å; I447-L480 HydrophobicContact CD1-CD1 4.05Å; V463-L480 HydrophobicContact CG1-CD1 4.2Å; A475-L480 HydrophobicContact CB-CB 3.79Å; A475-L480 HydrophobicContact CB-CD1 4.15Å; A475-L480 HydrophobicContact CB-CG 4.44Å; A475-L480 PolarHBondContact O-N 3.08Å; H478-L480 VanDerWaalsContact C-N 3.28Å; H478-L480 HydrophobicContact CB-CD1 4.48Å; H478-L480 HydrophobicContact CB-CG 4.12Å; H478-L480 PolarHBondContact O-N 3.2Å; L480-L482 PolarHBondContact O-N 2.97Å | ||
| 481 | S | 86.9 | Confident | 88.6 | Confident | 52 Ų | 52 | 50.3 Ų | 50.3 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | trans | -64.4 | 125.8 | 176.9 | -170.1 | 0 | 0 | 0 | 0 | 111.3 | E415 P465 | E415-S481 WeakPolarHBondContact OE2-CB 3.19Å; P465-S481 WeakPolarHBondContact CG-O 3.44Å | ||
| 482 | L | 83.7 | Confident | 88.7 | Confident | 39 Ų | 39 | 52.6 Ų | 52.6 | 20% | 0.204 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -93 | -11.5 | 177.9 | -60.1 | -177 | 0 | 0 | 0 | 113.5 | P465 F472 A475 R476 L480 | P465-L482 HydrophobicContact CB-CD2 4.34Å; F472-L482 HydrophobicContact CD2-CD2 4.14Å; F472-L482 HydrophobicContact CE2-CB 3.94Å; F472-L482 HydrophobicContact CE2-CD1 4.26Å; F472-L482 HydrophobicContact CE2-CD2 4.11Å; F472-L482 HydrophobicContact CE2-CG 4.34Å; F472-L482 HydrophobicContact CZ-CD1 4.14Å; A475-L482 HydrophobicContact CB-CD2 3.73Å; R476-L482 HydrophobicContact CB-CD1 4.29Å; R476-L482 HydrophobicContact CB-CD2 4.12Å; R476-L482 HydrophobicContact CG-CD1 4.44Å; L480-L482 PolarHBondContact O-N 2.97Å |
| 483 | E | 78.3 | Confident | 88.9 | Confident | 148 Ų | 148 | 52.4 Ų | 52.4 | 69% | 0.692 | 29% | 0.285 | S | S | * | . | trans | -100 | -15.9 | -168.5 | -62.4 | -172.6 | 169.4 | 0 | 0 | 113.4 | R485 | E483-R485 PolarHBondContact O-N 2.96Å; E483-R485 VanDerWaalsContact O-N 3.12Å | ||
| 484 | K | 83.2 | Confident | 89 | Confident | 68 Ų | 68 | 50.9 Ų | 50.9 | 30% | 0.296 | 28% | 0.279 | S | S | . | . | trans | -70.7 | 115.1 | -173.3 | -162.3 | 172 | -174.5 | 159 | 0 | 110.7 | E415 R442 S466 | E415-K484 HydrophobicContact CG-CB 4.47Å; E415-K484 WeakPolarHBondContact OE1-CD 3.46Å; E415-K484 IonicContact OE1-NZ 3.93Å; R442-K484 VanDerWaalsContact CZ-CE 3.47Å; S466-K484 WeakPolarHBondContact CB-O 3.27Å; S466-K484 VanDerWaalsContact OG-C 3.25Å; S466-K484 PolarHBondContact OG-O 3.17Å | ||
| 485 | R | 86.1 | Confident | 88.9 | Confident | 139 Ų | 139 | 50.9 Ų | 50.9 | 53% | 0.525 | 28% | 0.28 | S | S | . | . | trans | -122.5 | 144.9 | -176.7 | 66.5 | -178.8 | -172.5 | -161.8 | 0.6 | 110.4 | E483 I494 | E483-R485 PolarHBondContact O-N 2.96Å; E483-R485 VanDerWaalsContact O-N 3.12Å; R485-I494 HydrophobicContact CG-CD1 4.08Å | ||
| 486 | C | 91.4 | Very high | 88.5 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.014 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -117.2 | -4.9 | 173.7 | 65.8 | 0 | 0 | 0 | 0 | 113.1 | L412 A413 H467 I493 I494 | L412-C486 HydrophobicContact CB-CB 3.67Å; A413-C486 HydrophobicContact CB-CB 3.86Å; H467-C486 PolarHBondContact NE2-N 3.34Å; H467-C486 VanDerWaalsContact NE2-N 3.2Å; H467-C486 PolarHBondContact NE2-SG 3.26Å; H467-C486 VanDerWaalsContact NE2-SG 3.4Å; C486-I493 CarbonylContact O-C 3.53Å; C486-I493 WeakPolarHBondContact O-CA 3.29Å; C486-I494 PolarHBondContact O-N 2.85Å |
| 487 | I | 92.8 | Very high | 88.4 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -119.9 | 129.7 | 173.8 | -55.7 | 168.8 | 0 | 0 | 0 | 107.9 | T410 H492 I493 R506 | T410-I487 HydrophobicContact CG2-CD1 4.06Å; I487-H492 CarbonylContact C-O 3.57Å; I487-H492 WeakPolarHBondContact CA-O 3.4Å; I487-I493 HydrophobicContact CG1-CD1 3.96Å; I487-R506 HydrophobicContact CD1-CB 4.03Å; I487-R506 HydrophobicContact CG1-CB 4.33Å; I487-R506 HydrophobicContact CG2-CB 4.48Å |
| 488 | D | 90.6 | Very high | 88.4 | Confident | 47 Ų | 47 | 53.9 Ų | 53.9 | 25% | 0.251 | 29% | 0.294 | S | S | . | . | trans | -76.7 | 177.6 | 176.6 | 81.3 | -2.8 | 0 | 0 | 0 | 112.4 | S490 G491 H492 I494 | D488-S490 PolarHBondContact O-N 3.16Å; D488-S490 VanDerWaalsContact O-N 3.14Å; D488-S490 VanDerWaalsContact OD1-C 3.27Å; D488-S490 VanDerWaalsContact OD1-CA 3.29Å; D488-S490 WeakPolarHBondContact OD1-CA 3.44Å; D488-S490 WeakPolarHBondContact OD1-CB 3.11Å; D488-S490 PolarHBondContact OD1-N 3.03Å; D488-G491 PolarHBondContact O-N 3.47Å; D488-G491 PolarHBondContact OD1-N 2.96Å; D488-H492 PolarHBondContact N-O 3.34Å; D488-H492 PolarHBondContact OD1-N 3.18Å; D488-I494 HydrophobicContact CB-CD1 3.64Å; D488-I494 HydrophobicContact CB-CG1 3.78Å | ||
| 489 | A | 86.4 | Confident | 88.3 | Confident | 32 Ų | 32 | 55.2 Ų | 55.2 | 26% | 0.264 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | W347 | W347-A489 HydrophobicContact CZ2-CB 4Å; W347-A489 PolarHBondContact NE1-O 2.76Å |
| 490 | S | 88.4 | Confident | 88.4 | Confident | 43 Ų | 43 | 57.7 Ų | 57.7 | 30% | 0.301 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -2 | -179.7 | -49.7 | 0 | 0 | 0 | 0 | 112.6 | Q352 D488 | Q352-S490 PolarHBondContact NE2-OG 3.43Å; D488-S490 PolarHBondContact O-N 3.16Å; D488-S490 VanDerWaalsContact O-N 3.14Å; D488-S490 VanDerWaalsContact OD1-C 3.27Å; D488-S490 VanDerWaalsContact OD1-CA 3.29Å; D488-S490 WeakPolarHBondContact OD1-CA 3.44Å; D488-S490 WeakPolarHBondContact OD1-CB 3.11Å; D488-S490 PolarHBondContact OD1-N 3.03Å |
| 491 | G | 91 | Very high | 88.5 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 85.9 | 17 | -180 | 0 | 0 | 0 | 0 | 0 | 114.7 | D488 R506 | D488-G491 PolarHBondContact O-N 3.47Å; D488-G491 PolarHBondContact OD1-N 2.96Å; G491-R506 WeakPolarHBondContact O-CB 3.29Å; G491-R506 PolarHBondContact O-N 3.33Å |
| 492 | H | 93.6 | Very high | 88.8 | Confident | 69 Ų | 69 | 57.4 Ų | 57.4 | 32% | 0.319 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -99.4 | 155.8 | 173.5 | -59.4 | 89.1 | 0 | 0 | 0 | 111.2 | I487 D488 G503 L504 | I487-H492 CarbonylContact C-O 3.57Å; I487-H492 WeakPolarHBondContact CA-O 3.4Å; D488-H492 PolarHBondContact N-O 3.34Å; D488-H492 PolarHBondContact OD1-N 3.18Å; H492-G503 PolarHBondContact CD2-O 3.12Å; H492-G503 VanDerWaalsContact CD2-O 3.27Å; H492-L504 CarbonylContact C-O 3.5Å; H492-L504 VanDerWaalsContact CA-O 3.26Å; H492-L504 WeakPolarHBondContact CA-O 3.3Å |
| 493 | I | 94.7 | Very high | 89.1 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -78.7 | 137 | -175.9 | -65 | -73.8 | 0 | 0 | 0 | 110.9 | L412 C486 I487 L501 G503 L504 C509 | L412-I493 HydrophobicContact CD1-CG2 3.83Å; C486-I493 CarbonylContact O-C 3.53Å; C486-I493 WeakPolarHBondContact O-CA 3.29Å; I487-I493 HydrophobicContact CG1-CD1 3.96Å; I493-L501 WeakPolarHBondContact CB-O 3.45Å; I493-L501 HydrophobicContact CG2-CB 4.35Å; I493-G503 PolarHBondContact O-N 2.94Å; I493-L504 PolarHBondContact N-O 3.15Å; I493-C509 HydrophobicContact CD1-CB 3.97Å; I493-C509 HydrophobicContact CG1-CB 3.47Å; I493-C509 VanDerWaalsContact CG1-CB 3.47Å |
| 494 | I | 90.6 | Very high | 89.8 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 28% | 0.277 | 29% | 0.288 | S | S | . | . | trans | -106.5 | 106.8 | 169.3 | -55 | 166.3 | 0 | 0 | 0 | 106.8 | R485 C486 D488 | R485-I494 HydrophobicContact CG-CD1 4.08Å; C486-I494 PolarHBondContact O-N 2.85Å; D488-I494 HydrophobicContact CB-CD1 3.64Å; D488-I494 HydrophobicContact CB-CG1 3.78Å | ||
| 495 | S | 89.8 | Confident | 90.2 | Very high | 6 Ų | 6 | 51.1 Ų | 51.1 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | trans | -151.4 | 75.7 | 177.6 | -161 | 0 | 0 | 0 | 0 | 111.4 | E497 L498 D502 | S495-E497 PolarHBondContact O-N 2.97Å; S495-E497 VanDerWaalsContact O-N 3.15Å; S495-L498 CarbonylContact O-C 3.55Å; S495-L498 PolarHBondContact O-N 2.98Å; S495-L498 VanDerWaalsContact O-O 3.09Å; S495-D502 PolarHBondContact N-OD1 2.91Å | ||
| 496 | P | 83.8 | Confident | 90.6 | Very high | 101 Ų | 101 | 44.8 Ų | 44.8 | 66% | 0.656 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -24.4 | 177.6 | 24.8 | -33.6 | 0 | 0 | 0 | 112.9 | L498 | P496-L498 VanDerWaalsContact C-N 3.29Š|
| 497 | E | 85.5 | Confident | 90.7 | Very high | 120 Ų | 120 | 44.9 Ų | 44.9 | 56% | 0.561 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -21.5 | 175.7 | -63.7 | 170.1 | -158.4 | 0 | 0 | 112.8 | L439 S495 | L439-E497 WeakPolarHBondContact CD1-OE2 3.5Å; L439-E497 HydrophobicContact CD2-CB 3.84Å; L439-E497 WeakPolarHBondContact CD2-OE2 2.98Å; S495-E497 PolarHBondContact O-N 2.97Å; S495-E497 VanDerWaalsContact O-N 3.15Å |
| 498 | L | 90.1 | Very high | 90.7 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 14% | 0.141 | 28% | 0.279 | C | S | . | . | trans | -130.9 | 80.9 | 178 | -64.4 | 170.7 | 0 | 0 | 0 | 109.4 | L412 L438 L439 S495 P496 E500 L501 D502 W516 | L412-L498 HydrophobicContact CD2-CD1 3.85Å; L438-L498 HydrophobicContact CB-CD1 4.25Å; L439-L498 HydrophobicContact CD2-CD1 3.51Å; L439-L498 HydrophobicContact CD2-CD2 4.3Å; L439-L498 HydrophobicContact CD2-CG 3.62Å; L439-L498 HydrophobicContact CG-CD1 4.29Å; S495-L498 CarbonylContact O-C 3.55Å; S495-L498 PolarHBondContact O-N 2.98Å; S495-L498 VanDerWaalsContact O-O 3.09Å; P496-L498 VanDerWaalsContact C-N 3.29Å; L498-E500 PolarHBondContact O-N 2.98Å; L498-L501 HydrophobicContact CB-CB 4.37Å; L498-L501 HydrophobicContact CB-CD1 4.27Å; L498-L501 HydrophobicContact CB-CG 4.25Å; L498-L501 HydrophobicContact CD1-CD1 3.81Å; L498-L501 PolarHBondContact O-N 3.18Å; L498-D502 PolarHBondContact O-N 3.02Å; L498-D502 VanDerWaalsContact O-N 3.16Å; L498-W516 HydrophobicContact CD1-CZ3 4.25Å; L498-W516 HydrophobicContact CD2-CZ3 4.4Å | ||
| 499 | P | 88.3 | Confident | 90.8 | Very high | 103 Ų | 103 | 47 Ų | 47 | 67% | 0.669 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -25.7 | -176.1 | -25.6 | 33.7 | 0 | 0 | 0 | 114 | L501 | P499-L501 VanDerWaalsContact C-N 3.27Å; P499-L501 PolarHBondContact O-N 2.81Å |
| 500 | E | 91.6 | Very high | 91.2 | Very high | 123 Ų | 123 | 46.2 Ų | 46.2 | 58% | 0.575 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -19.6 | 177.4 | -65.2 | -178.7 | -143.7 | 0 | 0 | 114.4 | L498 K512 W516 | L498-E500 PolarHBondContact O-N 2.98Å; E500-K512 PolarHBondContact O-NZ 3.34Å; E500-K512 IonicContact OE2-NZ 3.75Å; E500-W516 HydrophobicContact CB-CH2 4.15Å; E500-W516 HydrophobicContact CB-CZ2 4.2Å; E500-W516 VanDerWaalsContact OE2-CZ2 3.28Å; E500-W516 WeakPolarHBondContact OE2-CZ2 3.19Å |
| 501 | L | 92.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -25.1 | 175.7 | -58.6 | -174.7 | 0 | 0 | 0 | 112 | L412 I493 L498 P499 G503 L504 K512 I513 W516 | L412-L501 HydrophobicContact CD1-CD1 4.05Å; L412-L501 HydrophobicContact CD2-CD1 4.34Å; I493-L501 WeakPolarHBondContact CB-O 3.45Å; I493-L501 HydrophobicContact CG2-CB 4.35Å; L498-L501 HydrophobicContact CB-CB 4.37Å; L498-L501 HydrophobicContact CB-CD1 4.27Å; L498-L501 HydrophobicContact CB-CG 4.25Å; L498-L501 HydrophobicContact CD1-CD1 3.81Å; L498-L501 PolarHBondContact O-N 3.18Å; P499-L501 VanDerWaalsContact C-N 3.27Å; P499-L501 PolarHBondContact O-N 2.81Å; L501-G503 PolarHBondContact O-N 2.96Å; L501-L504 HydrophobicContact CD2-CD1 4.26Å; L501-L504 WeakPolarHBondContact O-CB 3.45Å; L501-L504 WeakPolarHBondContact O-CG 3.3Å; L501-L504 PolarHBondContact O-N 3.2Å; L501-L504 VanDerWaalsContact O-N 3.16Å; L501-K512 HydrophobicContact CD2-CB 4.28Å; L501-K512 HydrophobicContact CD2-CD 3.65Å; L501-K512 HydrophobicContact CD2-CG 3.87Å; L501-I513 HydrophobicContact CD1-CD1 4.15Å; L501-I513 HydrophobicContact CD1-CG1 3.99Å; L501-W516 HydrophobicContact CD1-CE3 4.36Å; L501-W516 HydrophobicContact CD1-CH2 4.19Å; L501-W516 HydrophobicContact CD1-CZ3 3.73Å; L501-W516 HydrophobicContact CD2-CH2 3.9Å; L501-W516 HydrophobicContact CD2-CZ2 4.23Å; L501-W516 HydrophobicContact CD2-CZ3 4.1Å; L501-W516 HydrophobicContact CG-CH2 3.82Å; L501-W516 HydrophobicContact CG-CZ3 3.89Å |
| 502 | D | 91.7 | Very high | 91.6 | Very high | 79 Ų | 79 | 50.4 Ų | 50.4 | 42% | 0.422 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 133 | -178.3 | -159.7 | 49.8 | 0 | 0 | 0 | 111.6 | S495 L498 L504 | S495-D502 PolarHBondContact N-OD1 2.91Å; L498-D502 PolarHBondContact O-N 3.02Å; L498-D502 VanDerWaalsContact O-N 3.16Å; D502-L504 PolarHBondContact O-N 3.45Å |
| 503 | G | 90.6 | Very high | 91.7 | Very high | 46 Ų | 46 | 47.1 Ų | 47.1 | 47% | 0.474 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | -7.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | H492 I493 L501 | H492-G503 PolarHBondContact CD2-O 3.12Å; H492-G503 VanDerWaalsContact CD2-O 3.27Å; I493-G503 PolarHBondContact O-N 2.94Å; L501-G503 PolarHBondContact O-N 2.96Å |
| 504 | L | 93.1 | Very high | 91.7 | Very high | 46 Ų | 46 | 48.1 Ų | 48.1 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | trans | -66.5 | 148.3 | 175.6 | -67 | -175.8 | 0 | 0 | 0 | 111.6 | H492 I493 L501 D502 C509 K512 | H492-L504 CarbonylContact C-O 3.5Å; H492-L504 VanDerWaalsContact CA-O 3.26Å; H492-L504 WeakPolarHBondContact CA-O 3.3Å; I493-L504 PolarHBondContact N-O 3.15Å; L501-L504 HydrophobicContact CD2-CD1 4.26Å; L501-L504 WeakPolarHBondContact O-CB 3.45Å; L501-L504 WeakPolarHBondContact O-CG 3.3Å; L501-L504 PolarHBondContact O-N 3.2Å; L501-L504 VanDerWaalsContact O-N 3.16Å; D502-L504 PolarHBondContact O-N 3.45Å; L504-C509 HydrophobicContact CB-CB 4.29Å; L504-K512 HydrophobicContact CD1-CD 3.88Å | ||
| 505 | N | 92.2 | Very high | 91.9 | Very high | 30 Ų | 30 | 52.4 Ų | 52.4 | 16% | 0.16 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -61.8 | 139.8 | 169.3 | 178.5 | -88.4 | 0 | 0 | 0 | 110.3 | F507 E508 C509 | N505-F507 PolarHBondContact O-N 3.31Å; N505-F507 PolarHBondContact OD1-N 2.79Å; N505-F507 VanDerWaalsContact OD1-N 3.13Å; N505-E508 HydrophobicContact CB-CB 4.47Å; N505-E508 HydrophobicContact CB-CG 4.05Å; N505-E508 PolarHBondContact O-N 3Å; N505-C509 PolarHBondContact O-N 3.04Å |
| 506 | R | 93.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 53.9 Ų | 53.9 | 2% | 0.023 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -48.8 | -35.4 | -176 | 67.6 | -170.9 | -177.1 | -78.3 | 6.1 | 114.6 | E409 I487 G491 R510 D541 I542 | E409-R506 WeakPolarHBondContact CB-O 3.42Å; I487-R506 HydrophobicContact CD1-CB 4.03Å; I487-R506 HydrophobicContact CG1-CB 4.33Å; I487-R506 HydrophobicContact CG2-CB 4.48Å; G491-R506 WeakPolarHBondContact O-CB 3.29Å; G491-R506 PolarHBondContact O-N 3.33Å; R506-R510 PolarHBondContact O-N 3.1Å; R506-D541 IonicContact NH2-OD1 3.54Å; R506-D541 PolarHBondContact NH2-OD1 2.97Å; R506-D541 IonicContact NH2-OD2 3.5Å; R506-I542 PolarHBondContact NH2-O 3.01Å |
| 507 | F | 94 | Very high | 92.6 | Very high | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.022 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -84 | -28.2 | -179.5 | -56.3 | -60 | 0 | 0 | 0 | 113.3 | V373 V380 F382 N505 C509 R510 E511 I542 | V373-F507 HydrophobicContact CG1-CE2 3.94Å; V373-F507 HydrophobicContact CG2-CE2 4.37Å; V380-F507 HydrophobicContact CB-CG 4.46Å; V380-F507 HydrophobicContact CG1-CB 4.11Å; V380-F507 HydrophobicContact CG1-CD1 3.56Å; V380-F507 HydrophobicContact CG1-CE1 4.07Å; V380-F507 HydrophobicContact CG1-CG 3.85Å; V380-F507 HydrophobicContact CG2-CB 3.87Å; V380-F507 HydrophobicContact CG2-CD1 4.35Å; V380-F507 HydrophobicContact CG2-CD2 3.94Å; V380-F507 HydrophobicContact CG2-CG 3.8Å; F382-F507 HydrophobicContact CE1-CE1 4.04Å; F382-F507 HydrophobicContact CZ-CD1 4.45Å; F382-F507 AromaticContact CZ-CE1 3.7Å; F382-F507 HydrophobicContact CZ-CE1 3.7Å; F382-F507 HydrophobicContact CZ-CZ 4.03Å; N505-F507 PolarHBondContact O-N 3.31Å; N505-F507 PolarHBondContact OD1-N 2.79Å; N505-F507 VanDerWaalsContact OD1-N 3.13Å; F507-C509 VanDerWaalsContact C-N 3.35Å; F507-R510 WeakPolarHBondContact O-CB 3.32Å; F507-R510 PolarHBondContact O-N 3.44Å; F507-E511 PolarHBondContact O-N 3.07Å; F507-I542 HydrophobicContact CZ-CB 4.05Å; F507-I542 HydrophobicContact CZ-CG1 4.05Å |
| 508 | E | 92.2 | Very high | 93.1 | Very high | 95 Ų | 95 | 47.9 Ų | 47.9 | 44% | 0.444 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -70.2 | -39.3 | 169.9 | -59.7 | 179.7 | 159.4 | 0 | 0 | 110.2 | R376 N505 R510 E511 K512 | R376-E508 VanDerWaalsContact NH1-N 3.11Å; N505-E508 HydrophobicContact CB-CB 4.47Å; N505-E508 HydrophobicContact CB-CG 4.05Å; N505-E508 PolarHBondContact O-N 3Å; E508-R510 VanDerWaalsContact C-N 3.33Å; E508-R510 PolarHBondContact O-N 2.81Å; E508-E511 PolarHBondContact O-N 3.44Å; E508-K512 PolarHBondContact O-N 3.41Å |
| 509 | C | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 172.4 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | I493 L504 N505 F507 E511 K512 I513 | I493-C509 HydrophobicContact CD1-CB 3.97Å; I493-C509 HydrophobicContact CG1-CB 3.47Å; I493-C509 VanDerWaalsContact CG1-CB 3.47Å; L504-C509 HydrophobicContact CB-CB 4.29Å; N505-C509 PolarHBondContact O-N 3.04Å; F507-C509 VanDerWaalsContact C-N 3.35Å; C509-E511 PolarHBondContact O-N 3.4Å; C509-K512 PolarHBondContact O-N 2.84Å; C509-K512 VanDerWaalsContact O-N 3.15Å; C509-I513 WeakPolarHBondContact O-CB 3.3Å; C509-I513 WeakPolarHBondContact O-CG1 3.27Å; C509-I513 PolarHBondContact O-N 2.85Å; C509-I513 WeakPolarHBondContact SG-CD1 3.34Å |
| 510 | R | 94.7 | Very high | 93.4 | Very high | 15 Ų | 15 | 53.3 Ų | 53.3 | 6% | 0.057 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -51 | -53.7 | 172 | -177.2 | -174 | -71.3 | 176.4 | -0.7 | 111.5 | S381 P408 E409 R506 F507 E508 K512 I513 V514 | S381-R510 PolarHBondContact O-NH1 3.15Å; P408-R510 HydrophobicContact CG-CG 3.93Å; E409-R510 HydrophobicContact CB-CB 3.94Å; E409-R510 VanDerWaalsContact CD-NE 3.33Å; E409-R510 HydrophobicContact CG-CB 4.4Å; E409-R510 IonicContact OE1-CZ 2.72Å; E409-R510 IonicContact OE1-NE 3.14Å; E409-R510 PolarHBondContact OE1-NE 2.78Å; E409-R510 IonicContact OE1-NH2 3.29Å; E409-R510 PolarHBondContact OE1-NH2 2.88Å; E409-R510 WeakPolarHBondContact OE2-CG 3.31Å; E409-R510 IonicContact OE2-CZ 3.18Å; E409-R510 IonicContact OE2-NE 2.64Å; E409-R510 PolarHBondContact OE2-NE 3.46Å; E409-R510 IonicContact OE2-NH2 3.92Å; E409-R510 PolarHBondContact OE2-NH2 3.08Å; R506-R510 PolarHBondContact O-N 3.1Å; F507-R510 WeakPolarHBondContact O-CB 3.32Å; F507-R510 PolarHBondContact O-N 3.44Å; E508-R510 VanDerWaalsContact C-N 3.33Å; E508-R510 PolarHBondContact O-N 2.81Å; R510-K512 VanDerWaalsContact C-N 3.3Å; R510-K512 PolarHBondContact O-N 3.5Å; R510-I513 PolarHBondContact O-N 3.45Å; R510-V514 WeakPolarHBondContact O-CB 3.42Å; R510-V514 VanDerWaalsContact O-CG2 3.26Å; R510-V514 WeakPolarHBondContact O-CG2 3.17Å; R510-V514 PolarHBondContact O-N 2.89Å |
| 511 | E | 93.3 | Very high | 93.4 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 35% | 0.35 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | 179.8 | -66.6 | 174 | -144.6 | 0 | 0 | 111.8 | R376 F507 E508 C509 R515 | R376-E511 IonicContact NH2-OE1 3.99Å; R376-E511 PolarHBondContact NH2-OE1 3.49Å; F507-E511 PolarHBondContact O-N 3.07Å; E508-E511 PolarHBondContact O-N 3.44Å; C509-E511 PolarHBondContact O-N 3.4Å; E511-R515 WeakPolarHBondContact O-CG 3.45Å; E511-R515 PolarHBondContact O-N 3.01Å; E511-R515 VanDerWaalsContact O-N 3.1Å; E511-R515 IonicContact OE2-NH2 2.71Å; E511-R515 PolarHBondContact OE2-NH2 3.02Å |
| 512 | K | 94.7 | Very high | 93.5 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.3 | -43.3 | -179.4 | -170.4 | 165.3 | 175 | 178.6 | 0 | 112.4 | E500 L501 L504 E508 C509 R510 R515 W516 | E500-K512 PolarHBondContact O-NZ 3.34Å; E500-K512 IonicContact OE2-NZ 3.75Å; L501-K512 HydrophobicContact CD2-CB 4.28Å; L501-K512 HydrophobicContact CD2-CD 3.65Å; L501-K512 HydrophobicContact CD2-CG 3.87Å; L504-K512 HydrophobicContact CD1-CD 3.88Å; E508-K512 PolarHBondContact O-N 3.41Å; C509-K512 PolarHBondContact O-N 2.84Å; C509-K512 VanDerWaalsContact O-N 3.15Å; R510-K512 VanDerWaalsContact C-N 3.3Å; R510-K512 PolarHBondContact O-N 3.5Å; K512-R515 PolarHBondContact O-N 2.99Å; K512-W516 PolarHBondContact O-N 3.05Å |
| 513 | I | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -46 | 175 | -78.3 | 174.4 | 0 | 0 | 0 | 110.5 | P408 M411 L412 L438 L501 C509 R510 R515 W516 L517 | P408-I513 HydrophobicContact CB-CG2 4.11Å; M411-I513 HydrophobicContact SD-CG2 3.65Å; L412-I513 HydrophobicContact CD1-CD1 4.3Å; L412-I513 HydrophobicContact CG-CD1 4.3Å; L438-I513 HydrophobicContact CD1-CB 4.44Å; L438-I513 HydrophobicContact CD1-CD1 4.14Å; L438-I513 HydrophobicContact CD1-CG1 3.79Å; L438-I513 HydrophobicContact CD1-CG2 4.07Å; L501-I513 HydrophobicContact CD1-CD1 4.15Å; L501-I513 HydrophobicContact CD1-CG1 3.99Å; C509-I513 WeakPolarHBondContact O-CB 3.3Å; C509-I513 WeakPolarHBondContact O-CG1 3.27Å; C509-I513 PolarHBondContact O-N 2.85Å; C509-I513 WeakPolarHBondContact SG-CD1 3.34Å; R510-I513 PolarHBondContact O-N 3.45Å; I513-R515 VanDerWaalsContact C-N 3.31Å; I513-R515 PolarHBondContact O-N 3.46Å; I513-W516 PolarHBondContact O-N 2.89Å; I513-W516 VanDerWaalsContact O-N 3.16Å; I513-L517 HydrophobicContact CG2-CD1 3.81Å; I513-L517 HydrophobicContact CG2-CG 4.27Å; I513-L517 VanDerWaalsContact O-CG 3.28Å; I513-L517 WeakPolarHBondContact O-CG 3.42Å; I513-L517 PolarHBondContact O-N 2.78Å |
| 514 | V | 94.7 | Very high | 93.7 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 14% | 0.139 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 178.2 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | Y386 P408 R510 L517 I518 L523 | Y386-V514 HydrophobicContact CD1-CG2 4.04Å; Y386-V514 HydrophobicContact CE1-CG1 4.18Å; Y386-V514 HydrophobicContact CE1-CG2 3.68Å; P408-V514 HydrophobicContact CB-CG2 4.42Å; P408-V514 HydrophobicContact CG-CG2 3.8Å; R510-V514 WeakPolarHBondContact O-CB 3.42Å; R510-V514 VanDerWaalsContact O-CG2 3.26Å; R510-V514 WeakPolarHBondContact O-CG2 3.17Å; R510-V514 PolarHBondContact O-N 2.89Å; V514-L517 PolarHBondContact O-N 3.08Å; V514-I518 HydrophobicContact CG1-CD1 4.09Å; V514-I518 WeakPolarHBondContact O-CG1 3.5Å; V514-I518 PolarHBondContact O-N 3.21Å; V514-L523 HydrophobicContact CG1-CD2 4.14Å |
| 515 | R | 94.8 | Very high | 93.7 | Very high | 144 Ų | 144 | 56.6 Ų | 56.6 | 54% | 0.543 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 173.7 | -72.1 | 178.8 | -163.7 | 129.1 | 13.1 | 112 | E511 K512 I513 L517 I518 D519 | E511-R515 WeakPolarHBondContact O-CG 3.45Å; E511-R515 PolarHBondContact O-N 3.01Å; E511-R515 VanDerWaalsContact O-N 3.1Å; E511-R515 IonicContact OE2-NH2 2.71Å; E511-R515 PolarHBondContact OE2-NH2 3.02Å; K512-R515 PolarHBondContact O-N 2.99Å; I513-R515 VanDerWaalsContact C-N 3.31Å; I513-R515 PolarHBondContact O-N 3.46Å; R515-L517 VanDerWaalsContact C-N 3.28Å; R515-L517 PolarHBondContact O-N 3.3Å; R515-I518 WeakPolarHBondContact O-CB 3.35Å; R515-I518 PolarHBondContact O-N 3.31Å; R515-I518 VanDerWaalsContact O-N 3.09Å; R515-D519 PolarHBondContact O-N 3.23Å |
| 516 | W | 94.9 | Very high | 93.6 | Very high | 37 Ų | 37 | 57.6 Ų | 57.6 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.7 | -37.3 | 177.3 | -74.5 | 2.2 | 0 | 0 | 0 | 113.4 | L438 L498 E500 L501 K512 I513 I518 D519 R520 | L438-W516 HydrophobicContact CD1-CE3 4.34Å; L438-W516 HydrophobicContact CD2-CB 4.36Å; L438-W516 HydrophobicContact CD2-CE3 4.17Å; L498-W516 HydrophobicContact CD1-CZ3 4.25Å; L498-W516 HydrophobicContact CD2-CZ3 4.4Å; E500-W516 HydrophobicContact CB-CH2 4.15Å; E500-W516 HydrophobicContact CB-CZ2 4.2Å; E500-W516 VanDerWaalsContact OE2-CZ2 3.28Å; E500-W516 WeakPolarHBondContact OE2-CZ2 3.19Å; L501-W516 HydrophobicContact CD1-CE3 4.36Å; L501-W516 HydrophobicContact CD1-CH2 4.19Å; L501-W516 HydrophobicContact CD1-CZ3 3.73Å; L501-W516 HydrophobicContact CD2-CH2 3.9Å; L501-W516 HydrophobicContact CD2-CZ2 4.23Å; L501-W516 HydrophobicContact CD2-CZ3 4.1Å; L501-W516 HydrophobicContact CG-CH2 3.82Å; L501-W516 HydrophobicContact CG-CZ3 3.89Å; K512-W516 PolarHBondContact O-N 3.05Å; I513-W516 PolarHBondContact O-N 2.89Å; I513-W516 VanDerWaalsContact O-N 3.16Å; W516-I518 VanDerWaalsContact C-N 3.32Å; W516-D519 PolarHBondContact O-N 3.28Å; W516-R520 VanDerWaalsContact O-CB 3.27Å; W516-R520 WeakPolarHBondContact O-CB 3.44Å; W516-R520 WeakPolarHBondContact O-CG 3.45Å; W516-R520 PolarHBondContact O-N 3.04Å |
| 517 | L | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.4 | -34 | 176.4 | -66.8 | 169.9 | 0 | 0 | 0 | 111.4 | I388 M411 P437 L438 I513 V514 R515 D521 L522 L523 | I388-L517 HydrophobicContact CD1-CD1 3.7Å; I388-L517 HydrophobicContact CG1-CD1 4.01Å; I388-L517 HydrophobicContact CG2-CD1 4.07Å; I388-L517 HydrophobicContact CG2-CD2 3.81Å; M411-L517 HydrophobicContact CE-CD1 4.4Å; M411-L517 HydrophobicContact SD-CD1 4.29Å; P437-L517 HydrophobicContact CB-CD2 4.05Å; L438-L517 HydrophobicContact CD2-CD2 4.02Å; I513-L517 HydrophobicContact CG2-CD1 3.81Å; I513-L517 HydrophobicContact CG2-CG 4.27Å; I513-L517 VanDerWaalsContact O-CG 3.28Å; I513-L517 WeakPolarHBondContact O-CG 3.42Å; I513-L517 PolarHBondContact O-N 2.78Å; V514-L517 PolarHBondContact O-N 3.08Å; R515-L517 VanDerWaalsContact C-N 3.28Å; R515-L517 PolarHBondContact O-N 3.3Å; L517-D521 PolarHBondContact O-N 3.23Å; L517-L522 HydrophobicContact CD2-CB 3.94Å; L517-L522 HydrophobicContact CD2-CD1 4.39Å; L517-L522 PolarHBondContact O-N 3.39Å; L517-L523 HydrophobicContact CB-CB 3.9Å; L517-L523 PolarHBondContact O-N 2.96Å; L517-L523 VanDerWaalsContact O-N 3.07Å |
| 518 | I | 94.2 | Very high | 93.5 | Very high | 96 Ų | 96 | 67.1 Ų | 67.1 | 49% | 0.492 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.2 | -51 | 171.7 | -66.1 | 164.1 | 0 | 0 | 0 | 110.3 | V514 R515 W516 R520 D521 L523 | V514-I518 HydrophobicContact CG1-CD1 4.09Å; V514-I518 WeakPolarHBondContact O-CG1 3.5Å; V514-I518 PolarHBondContact O-N 3.21Å; R515-I518 WeakPolarHBondContact O-CB 3.35Å; R515-I518 PolarHBondContact O-N 3.31Å; R515-I518 VanDerWaalsContact O-N 3.09Å; W516-I518 VanDerWaalsContact C-N 3.32Å; I518-R520 PolarHBondContact O-N 3.19Å; I518-D521 PolarHBondContact O-N 3.44Å; I518-L523 HydrophobicContact CD1-CD2 4.01Å; I518-L523 HydrophobicContact CG1-CB 4.18Å; I518-L523 HydrophobicContact CG1-CD2 3.55Å; I518-L523 HydrophobicContact CG1-CG 4.49Å |
| 519 | D | 94.2 | Very high | 93.3 | Very high | 130 Ų | 130 | 65.7 Ų | 65.7 | 70% | 0.695 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.3 | -27 | -177.2 | -64 | -23.4 | 0 | 0 | 0 | 112.6 | R515 W516 | R515-D519 PolarHBondContact O-N 3.23Å; W516-D519 PolarHBondContact O-N 3.28Å |
| 520 | R | 91.8 | Very high | 93.1 | Very high | 114 Ų | 114 | 69.6 Ų | 69.6 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 3.7 | 177.5 | -65.8 | 179.1 | -172.8 | -162.9 | 2.9 | 114 | W516 I518 L522 | W516-R520 VanDerWaalsContact O-CB 3.27Å; W516-R520 WeakPolarHBondContact O-CB 3.44Å; W516-R520 WeakPolarHBondContact O-CG 3.45Å; W516-R520 PolarHBondContact O-N 3.04Å; I518-R520 PolarHBondContact O-N 3.19Å; R520-L522 HydrophobicContact CB-CD1 3.85Å; R520-L522 HydrophobicContact CB-CG 4.03Å; R520-L522 PolarHBondContact O-N 2.84Å |
| 521 | D | 91.9 | Very high | 92.8 | Very high | 135 Ų | 135 | 69.9 Ų | 69.9 | 72% | 0.722 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 38.2 | -176.9 | -156.9 | 29.6 | 0 | 0 | 0 | 113.3 | L517 I518 | L517-D521 PolarHBondContact O-N 3.23Å; I518-D521 PolarHBondContact O-N 3.44Å |
| 522 | L | 93.4 | Very high | 92.7 | Very high | 27 Ų | 27 | 71.2 Ų | 71.2 | 14% | 0.141 | 35% | 0.354 | C | S | . | . | trans | -108.3 | -15.9 | 179.8 | -66.4 | 172.4 | 0 | 0 | 0 | 113 | I388 N389 P437 L517 R520 | I388-L522 WeakPolarHBondContact CA-O 3.37Å; N389-L522 HydrophobicContact CB-CD2 4.33Å; N389-L522 PolarHBondContact N-O 3.13Å; P437-L522 HydrophobicContact CB-CD1 4.01Å; L517-L522 HydrophobicContact CD2-CB 3.94Å; L517-L522 HydrophobicContact CD2-CD1 4.39Å; L517-L522 PolarHBondContact O-N 3.39Å; R520-L522 HydrophobicContact CB-CD1 3.85Å; R520-L522 HydrophobicContact CB-CG 4.03Å; R520-L522 PolarHBondContact O-N 2.84Å | ||
| 523 | L | 95 | Very high | 92.5 | Very high | 30 Ų | 30 | 68.8 Ų | 68.8 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 105.3 | 172.3 | -174.1 | 70.3 | 0 | 0 | 0 | 109.9 | Y386 I388 V514 L517 I518 | Y386-L523 HydrophobicContact CD1-CD1 4.13Å; I388-L523 HydrophobicContact CG1-CD1 4.17Å; V514-L523 HydrophobicContact CG1-CD2 4.14Å; L517-L523 HydrophobicContact CB-CB 3.9Å; L517-L523 PolarHBondContact O-N 2.96Å; L517-L523 VanDerWaalsContact O-N 3.07Å; I518-L523 HydrophobicContact CD1-CD2 4.01Å; I518-L523 HydrophobicContact CG1-CB 4.18Å; I518-L523 HydrophobicContact CG1-CD2 3.55Å; I518-L523 HydrophobicContact CG1-CG 4.49Å |
| 524 | M | 92.2 | Very high | 92.4 | Very high | 110 Ų | 110 | 70.6 Ų | 70.6 | 54% | 0.542 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | -38.8 | -177.2 | -68.8 | -56.2 | -58.3 | 0 | 0 | 113.4 | F387 N389 T402 | F387-M524 HydrophobicContact CB-CB 4.28Å; F387-M524 PolarHBondContact O-N 2.9Å; N389-M524 VanDerWaalsContact CG-CG 3.49Å; N389-M524 VanDerWaalsContact ND2-CG 3.29Å; N389-M524 WeakPolarHBondContact ND2-CG 3.42Å; N389-M524 PolarHBondContact ND2-SD 3.45Å; N389-M524 WeakPolarHBondContact OD1-CG 3.29Å; T402-M524 HydrophobicContact CG2-CG 4.36Å |
| 525 | D | 92.2 | Very high | 92.2 | Very high | 60 Ų | 60 | 71.4 Ų | 71.4 | 32% | 0.321 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 159.5 | -173.7 | -156.6 | -13.4 | 0 | 0 | 0 | 110.2 | F387 R527 | F387-D525 HydrophobicContact CB-CB 4.02Å; F387-D525 HydrophobicContact CD2-CB 3.91Å; F387-D525 HydrophobicContact CG-CB 4.15Å; F387-D525 PolarHBondContact N-O 2.81Å; D525-R527 IonicContact OD2-CZ 2.82Å; D525-R527 IonicContact OD2-NE 3.93Å; D525-R527 PolarHBondContact OD2-NE 3.4Å; D525-R527 IonicContact OD2-NH2 3.8Å; D525-R527 PolarHBondContact OD2-NH2 3.45Å |
| 526 | C | 91.6 | Very high | 91.9 | Very high | 52 Ų | 52 | 64.6 Ų | 64.6 | 35% | 0.351 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 108.9 | 174.1 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | Y384 L385 Y386 | Y384-C526 VanDerWaalsContact CD1-SG 3.53Å; L385-C526 WeakPolarHBondContact O-CA 3.34Å; Y386-C526 HydrophobicContact CD1-CB 4.32Å |
| 527 | R | 92.3 | Very high | 91.2 | Very high | 139 Ų | 139 | 69.1 Ų | 69.1 | 53% | 0.525 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 158.1 | -173.5 | -59.5 | -176.3 | -175.6 | 171.2 | 5.1 | 112.4 | Y384 L385 F387 D525 | Y384-R527 CarbonylContact C-O 3.55Å; Y384-R527 WeakPolarHBondContact CA-O 3.38Å; L385-R527 PolarHBondContact N-O 3.12Å; L385-R527 PolarHBondContact O-N 2.86Å; F387-R527 HydrophobicContact CD2-CG 4.45Å; F387-R527 HydrophobicContact CE2-CB 4.1Å; F387-R527 HydrophobicContact CE2-CG 3.81Å; D525-R527 IonicContact OD2-CZ 2.82Å; D525-R527 IonicContact OD2-NE 3.93Å; D525-R527 PolarHBondContact OD2-NE 3.4Å; D525-R527 IonicContact OD2-NH2 3.8Å; D525-R527 PolarHBondContact OD2-NH2 3.45Å |
| 528 | S | 91.2 | Very high | 90.3 | Very high | 72 Ų | 72 | 72.9 Ų | 72.9 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 137 | 167.3 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | P368 | P368-S528 VanDerWaalsContact CD-OG 3.23Å; P368-S528 WeakPolarHBondContact CD-OG 3.38Å |
| 529 | H | 89.2 | Confident | 89.8 | Confident | 64 Ų | 64 | 70 Ų | 70 | 30% | 0.296 | 35% | 0.35 | S | S | . | . | trans | -147.7 | 133.3 | 178.4 | -177.6 | 70.4 | 0 | 0 | 0 | 112.5 | G383 L385 T531 | G383-H529 CarbonylContact C-O 3.59Å; G383-H529 WeakPolarHBondContact CA-O 3.2Å; G383-H529 PolarHBondContact O-N 3.13Å; L385-H529 HydrophobicContact CB-CB 3.68Å; H529-T531 PolarHBondContact O-N 3.23Å; H529-T531 PolarHBondContact O-OG1 3.49Å | ||
| 530 | V | 89 | Confident | 89.3 | Confident | 82 Ų | 82 | 65.2 Ų | 65.2 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | trans | -62.4 | 119.2 | 175.9 | -175.6 | 0 | 0 | 0 | 0 | 109 | I365 | I365-V530 CarbonylContact O-C 3.44Å; I365-V530 VanDerWaalsContact O-CA 3.29Å; I365-V530 WeakPolarHBondContact O-CA 3.18Å | ||
| 531 | T | 88.7 | Confident | 89.3 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 13% | 0.129 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 136.7 | -172.6 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | I365 H529 V533 | I365-T531 WeakPolarHBondContact CG1-O 3.29Å; I365-T531 PolarHBondContact N-O 2.99Å; I365-T531 PolarHBondContact O-N 3.36Å; H529-T531 PolarHBondContact O-N 3.23Å; H529-T531 PolarHBondContact O-OG1 3.49Å; T531-V533 HydrophobicContact CG2-CG2 4.13Å |
| 532 | N | 90.7 | Very high | 89.3 | Confident | 104 Ų | 104 | 54.3 Ų | 54.3 | 56% | 0.556 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 111.3 | 170.1 | -78.6 | -27.7 | 0 | 0 | 0 | 109.5 | V362 S364 P534 | V362-N532 HydrophobicContact CG1-CB 3.58Å; S364-N532 WeakPolarHBondContact CA-OD1 3.3Å; S364-N532 WeakPolarHBondContact CB-OD1 3.4Å; S364-N532 PolarHBondContact OG-OD1 2.93Å; N532-P534 WeakPolarHBondContact O-CD 3.49Å |
| 533 | V | 91.3 | Very high | 89.3 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 110.5 | -178.7 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | K363 I365 I371 F382 T531 M535 I542 | K363-V533 PolarHBondContact N-O 3.44Å; K363-V533 PolarHBondContact O-N 3.34Å; I365-V533 HydrophobicContact CD1-CG2 3.84Å; I365-V533 HydrophobicContact CG1-CG2 4.16Å; I371-V533 HydrophobicContact CD1-CB 4.49Å; I371-V533 HydrophobicContact CD1-CG1 4.38Å; I371-V533 HydrophobicContact CD1-CG2 4.25Å; F382-V533 HydrophobicContact CB-CG2 4.08Å; F382-V533 HydrophobicContact CD1-CG1 4.46Å; F382-V533 HydrophobicContact CD1-CG2 4.1Å; F382-V533 HydrophobicContact CE1-CG1 4.46Å; F382-V533 HydrophobicContact CG-CG2 4.14Å; T531-V533 HydrophobicContact CG2-CG2 4.13Å; V533-M535 HydrophobicContact CG1-CG 4.24Å; V533-M535 PolarHBondContact O-N 2.87Å; V533-I542 HydrophobicContact CG1-CD1 3.58Å; V533-I542 HydrophobicContact CG1-CG1 4.39Å; V533-I542 HydrophobicContact CG1-CG2 4.1Å |
| 534 | P | 91.8 | Very high | 89.1 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 25% | 0.253 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 117.1 | 178 | 30.7 | -33.3 | 0 | 0 | 0 | 109.9 | V360 N532 L543 | V360-P534 HydrophobicContact CG1-CB 3.71Å; N532-P534 WeakPolarHBondContact O-CD 3.49Å; P534-L543 HydrophobicContact CB-CB 4.34Å; P534-L543 PolarHBondContact O-N 3.27Å |
| 535 | M | 91.2 | Very high | 89 | Confident | 39 Ų | 39 | 47.7 Ų | 47.7 | 19% | 0.192 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 143.3 | 179.5 | -56.7 | -174.1 | -52.6 | 0 | 0 | 110.4 | D361 K363 V533 R537 D541 I542 | D361-M535 PolarHBondContact N-O 3.34Å; D361-M535 WeakPolarHBondContact O-CB 3.06Å; D361-M535 PolarHBondContact O-N 3.27Å; K363-M535 HydrophobicContact CB-CE 3.73Å; K363-M535 HydrophobicContact CB-SD 4.16Å; K363-M535 HydrophobicContact CD-CE 4.08Å; K363-M535 HydrophobicContact CD-SD 4.15Å; K363-M535 HydrophobicContact CG-CE 4.45Å; V533-M535 HydrophobicContact CG1-CG 4.24Å; V533-M535 PolarHBondContact O-N 2.87Å; M535-R537 PolarHBondContact O-N 3.03Å; M535-D541 WeakPolarHBondContact CA-O 3.31Å; M535-I542 HydrophobicContact CG-CD1 3.82Å; M535-I542 HydrophobicContact SD-CD1 4.41Å |
| 536 | C | 87.9 | Confident | 88.8 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 115.1 | 169.3 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | R538 T539 G540 D541 L543 | C536-R538 PolarHBondContact O-N 2.98Å; C536-T539 WeakPolarHBondContact CB-OG1 3.35Å; C536-T539 PolarHBondContact O-N 3.3Å; C536-G540 WeakPolarHBondContact O-CA 3.49Å; C536-G540 PolarHBondContact O-N 2.93Å; C536-D541 PolarHBondContact N-O 2.81Å; C536-L543 HydrophobicContact CB-CD2 3.72Å; C536-L543 HydrophobicContact CB-CG 4.09Å |
| 537 | R | 79.7 | Confident | 88.6 | Confident | 132 Ų | 132 | 43.2 Ų | 43.2 | 50% | 0.498 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -27.1 | 178.2 | -179.2 | 167.3 | -178.4 | -177.3 | 1 | 114 | E359 D361 M535 | E359-R537 WeakPolarHBondContact O-CB 3.48Å; E359-R537 PolarHBondContact O-N 3.32Å; E359-R537 VanDerWaalsContact O-N 3.15Å; D361-R537 WeakPolarHBondContact OD2-CB 3.38Å; D361-R537 VanDerWaalsContact OD2-CG 3.26Å; D361-R537 WeakPolarHBondContact OD2-CG 3.4Å; M535-R537 PolarHBondContact O-N 3.03Å |
| 538 | R | 77.6 | Confident | 88.3 | Confident | 79 Ų | 79 | 39.1 Ų | 39.1 | 30% | 0.298 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -40.3 | -176.4 | -67.2 | -177.3 | 175.1 | 161.5 | -3.7 | 113.5 | L256 E359 C536 | L256-R538 VanDerWaalsContact CB-NH1 3.31Å; E359-R538 IonicContact OE1-CZ 3.72Å; E359-R538 IonicContact OE1-NE 3.09Å; E359-R538 IonicContact OE1-NH2 3.86Å; E359-R538 PolarHBondContact OE1-NH2 3.25Å; E359-R538 IonicContact OE2-CZ 3.64Å; E359-R538 VanDerWaalsContact OE2-CZ 3.29Å; E359-R538 IonicContact OE2-NE 3.89Å; E359-R538 IonicContact OE2-NH1 2.94Å; E359-R538 PolarHBondContact OE2-NH1 3.35Å; E359-R538 IonicContact OE2-NH2 3.69Å; E359-R538 PolarHBondContact OE2-NH2 3.26Å; C536-R538 PolarHBondContact O-N 2.98Å |
| 539 | T | 82.1 | Confident | 88.1 | Confident | 36 Ų | 36 | 39.8 Ų | 39.8 | 22% | 0.221 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | -20.6 | -171.8 | 60 | 0 | 0 | 0 | 0 | 113.5 | L350 L351 P374 C536 D541 | L350-T539 HydrophobicContact CD2-CG2 3.86Å; L351-T539 HydrophobicContact CD1-CG2 3.84Å; L351-T539 HydrophobicContact CD2-CG2 3.61Å; L351-T539 HydrophobicContact CG-CG2 3.68Å; P374-T539 WeakPolarHBondContact CG-O 3.42Å; C536-T539 WeakPolarHBondContact CB-OG1 3.35Å; C536-T539 PolarHBondContact O-N 3.3Å; T539-D541 PolarHBondContact O-N 2.82Å; T539-D541 WeakPolarHBondContact OG1-CB 3.17Å; T539-D541 PolarHBondContact OG1-N 2.95Å |
| 540 | G | 84.6 | Confident | 88.1 | Confident | 30 Ų | 30 | 36.8 Ų | 36.8 | 31% | 0.309 | 19% | 0.191 | S | C | . | . | trans | 74.7 | 3 | -169 | 0 | 0 | 0 | 0 | 0 | 113.9 | C536 | C536-G540 WeakPolarHBondContact O-CA 3.49Å; C536-G540 PolarHBondContact O-N 2.93Å | ||
| 541 | D | 90.9 | Very high | 88.4 | Confident | 7 Ų | 7 | 33.1 Ų | 33.1 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 151.6 | 174.8 | -172.1 | 19.7 | 0 | 0 | 0 | 110.8 | P349 L350 P374 R506 M535 C536 T539 L543 | P349-D541 WeakPolarHBondContact CD-OD2 3.3Å; L350-D541 HydrophobicContact CB-CB 4.16Å; L350-D541 WeakPolarHBondContact CB-OD2 3.4Å; L350-D541 PolarHBondContact N-OD2 3.16Å; P374-D541 HydrophobicContact CG-CB 4.1Å; R506-D541 IonicContact NH2-OD1 3.54Å; R506-D541 PolarHBondContact NH2-OD1 2.97Å; R506-D541 IonicContact NH2-OD2 3.5Å; M535-D541 WeakPolarHBondContact CA-O 3.31Å; C536-D541 PolarHBondContact N-O 2.81Å; T539-D541 PolarHBondContact O-N 2.82Å; T539-D541 WeakPolarHBondContact OG1-CB 3.17Å; T539-D541 PolarHBondContact OG1-N 2.95Å; D541-L543 PolarHBondContact O-N 3.05Å |
| 542 | I | 92.8 | Very high | 88.5 | Confident | 12 Ų | 12 | 32.7 Ų | 32.7 | 6% | 0.062 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -78.6 | 121.9 | 177.4 | -51.6 | -49 | 0 | 0 | 0 | 108.3 | V373 F382 R506 F507 V533 M535 | V373-I542 HydrophobicContact CG2-CG1 4.05Å; F382-I542 HydrophobicContact CE1-CG1 4.47Å; F382-I542 HydrophobicContact CE2-CG1 4.33Å; F382-I542 HydrophobicContact CZ-CD1 4.33Å; F382-I542 HydrophobicContact CZ-CG1 3.76Å; R506-I542 PolarHBondContact NH2-O 3.01Å; F507-I542 HydrophobicContact CZ-CB 4.05Å; F507-I542 HydrophobicContact CZ-CG1 4.05Å; V533-I542 HydrophobicContact CG1-CD1 3.58Å; V533-I542 HydrophobicContact CG1-CG1 4.39Å; V533-I542 HydrophobicContact CG1-CG2 4.1Å; M535-I542 HydrophobicContact CG-CD1 3.82Å; M535-I542 HydrophobicContact SD-CD1 4.41Å |
| 543 | L | 92.7 | Very high | 88.7 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -70.8 | 140.3 | -179.2 | -66 | 168.7 | 0 | 0 | 0 | 110.4 | N346 W347 I355 V360 P534 C536 D541 | N346-L543 HydrophobicContact CB-CD1 4.32Å; W347-L543 CarbonylContact O-C 3.53Å; W347-L543 WeakPolarHBondContact O-CA 3.26Å; W347-L543 WeakPolarHBondContact O-CD2 3.32Å; I355-L543 HydrophobicContact CB-CD2 4.23Å; I355-L543 HydrophobicContact CG1-CD2 3.8Å; V360-L543 HydrophobicContact CB-CD1 4.02Å; V360-L543 HydrophobicContact CG1-CD1 3.73Å; V360-L543 HydrophobicContact CG2-CD1 3.47Å; V360-L543 VanDerWaalsContact CG2-CD1 3.47Å; P534-L543 HydrophobicContact CB-CB 4.34Å; P534-L543 PolarHBondContact O-N 3.27Å; C536-L543 HydrophobicContact CB-CD2 3.72Å; C536-L543 HydrophobicContact CB-CG 4.09Å; D541-L543 PolarHBondContact O-N 3.05Å |
| 544 | E | 91.5 | Very high | 88.8 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.009 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 121.9 | 174.4 | -169.2 | 62.4 | -138.1 | 0 | 0 | 108.4 | W347 P349 R407 H467 V546 | W347-E544 WeakPolarHBondContact CA-O 3.11Å; W347-E544 WeakPolarHBondContact CB-O 3.43Å; W347-E544 PolarHBondContact N-O 3.5Å; W347-E544 PolarHBondContact O-N 3.02Å; P349-E544 HydrophobicContact CG-CB 4.14Å; R407-E544 IonicContact CZ-OE1 2.66Å; R407-E544 VanDerWaalsContact CZ-OE1 3.29Å; R407-E544 IonicContact CZ-OE2 2.91Å; R407-E544 IonicContact NH1-OE1 3.3Å; R407-E544 PolarHBondContact NH1-OE1 3.14Å; R407-E544 IonicContact NH1-OE2 3.68Å; R407-E544 IonicContact NH2-OE1 3.59Å; R407-E544 PolarHBondContact NH2-OE1 2.85Å; R407-E544 IonicContact NH2-OE2 3.42Å; R407-E544 PolarHBondContact NH2-OE2 3.25Å; H467-E544 IonicContact CG-OE1 3.61Å; H467-E544 IonicContact ND1-OE1 2.84Å; H467-E544 PolarHBondContact ND1-OE1 2.86Å; E544-V546 HydrophobicContact CB-CG2 3.88Å; E544-V546 HydrophobicContact CG-CG2 3.5Å; E544-V546 PolarHBondContact O-N 2.91Å |
| 545 | P | 90.3 | Very high | 88.8 | Confident | 23 Ų | 23 | 31.9 Ų | 31.9 | 15% | 0.149 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 115.6 | 164.5 | 26 | -32.6 | 0 | 0 | 0 | 108.2 | V344 V345 H467 | V344-P545 HydrophobicContact CG1-CB 3.46Å; V344-P545 VanDerWaalsContact CG1-CB 3.46Å; V345-P545 WeakPolarHBondContact O-CA 3.32Å; H467-P545 VanDerWaalsContact C-CG 3.42Å; H467-P545 WeakPolarHBondContact CA-O 3.41Å; H467-P545 WeakPolarHBondContact O-CG 3.43Å |
| 546 | V | 88.1 | Confident | 88.8 | Confident | 13 Ų | 13 | 33.2 Ų | 33.2 | 8% | 0.079 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 130.5 | -179.6 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | V345 W347 E544 K548 | V345-V546 WeakPolarHBondContact CG2-O 3.2Å; V345-V546 PolarHBondContact N-O 3.42Å; V345-V546 PolarHBondContact O-N 3.36Å; W347-V546 HydrophobicContact CB-CB 3.98Å; W347-V546 HydrophobicContact CB-CG2 3.76Å; W347-V546 HydrophobicContact CG-CB 4.41Å; W347-V546 HydrophobicContact CG-CG2 4.12Å; E544-V546 HydrophobicContact CB-CG2 3.88Å; E544-V546 HydrophobicContact CG-CG2 3.5Å; E544-V546 PolarHBondContact O-N 2.91Å; V546-K548 HydrophobicContact CG1-CG 4.17Å; V546-K548 PolarHBondContact O-N 3.29Å |
| 547 | P | 87.4 | Confident | 88.9 | Confident | 6 Ų | 6 | 35.8 Ų | 35.8 | 4% | 0.039 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 120.2 | 173.6 | 31.1 | -35.7 | 0 | 0 | 0 | 110.2 | Y342 R343 V344 S466 F472 | Y342-P547 HydrophobicContact CD1-CB 4.32Å; Y342-P547 HydrophobicContact CE1-CB 3.65Å; Y342-P547 HydrophobicContact CE1-CG 4.24Å; Y342-P547 HydrophobicContact CE2-CB 4.23Å; Y342-P547 WeakPolarHBondContact CE2-O 3.32Å; Y342-P547 WeakPolarHBondContact OH-CG 3.42Å; Y342-P547 PolarHBondContact OH-O 3.45Å; R343-P547 WeakPolarHBondContact O-CA 3.28Å; V344-P547 HydrophobicContact CG2-CB 4.34Å; S466-P547 VanDerWaalsContact O-CD 3.29Å; S466-P547 WeakPolarHBondContact O-CD 3.47Å; F472-P547 HydrophobicContact CD2-CB 4.18Å; F472-P547 HydrophobicContact CE2-CB 3.69Å; F472-P547 HydrophobicContact CE2-CG 4.44Å; F472-P547 HydrophobicContact CZ-CB 4.41Å |
| 548 | K | 85.8 | Confident | 89.6 | Confident | 53 Ų | 53 | 29.6 Ų | 29.6 | 23% | 0.23 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 149.6 | 179.2 | -71.4 | -74.6 | -173.5 | 165.6 | 0 | 109.4 | R343 V345 W347 V546 Q550 | R343-K548 PolarHBondContact N-O 3.03Å; R343-K548 PolarHBondContact O-N 3.32Å; R343-K548 VanDerWaalsContact O-O 3.12Å; V345-K548 HydrophobicContact CG2-CB 3.99Å; V345-K548 HydrophobicContact CG2-CG 4.14Å; W347-K548 HydrophobicContact CE3-CG 4.24Å; W347-K548 HydrophobicContact CZ3-CD 4.43Å; W347-K548 HydrophobicContact CZ3-CG 4.29Å; V546-K548 HydrophobicContact CG1-CG 4.17Å; V546-K548 PolarHBondContact O-N 3.29Å; K548-Q550 HydrophobicContact CB-CG 3.97Å; K548-Q550 PolarHBondContact O-N 3.4Å |
| 549 | E | 86.6 | Confident | 90.3 | Very high | 85 Ų | 85 | 26.1 Ų | 26.1 | 40% | 0.397 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 113.2 | 171.6 | -162.4 | -170.5 | 176.9 | 0 | 0 | 108.4 | R340 D341 Y342 | R340-E549 WeakPolarHBondContact CD-OE1 3.15Å; R340-E549 HydrophobicContact CG-CG 3.89Å; R340-E549 IonicContact NE-OE1 3.36Å; R340-E549 PolarHBondContact NE-OE1 2.95Å; R340-E549 VanDerWaalsContact NE-OE1 3.09Å; R340-E549 IonicContact NE-OE2 2.92Å; D341-E549 WeakPolarHBondContact O-CA 3.42Å; Y342-E549 HydrophobicContact CD2-CB 4.19Å |
| 550 | Q | 90.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.009 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 160 | -174.9 | -56.5 | -68.8 | -7.7 | 0 | 0 | 110.7 | R340 D341 V345 K548 F552 S593 | R340-Q550 WeakPolarHBondContact CA-O 3.41Å; R340-Q550 WeakPolarHBondContact CG-O 3.15Å; D341-Q550 PolarHBondContact N-O 3.25Å; D341-Q550 PolarHBondContact O-N 2.85Å; D341-Q550 VanDerWaalsContact O-N 3.12Å; V345-Q550 HydrophobicContact CG1-CG 3.93Å; K548-Q550 HydrophobicContact CB-CG 3.97Å; K548-Q550 PolarHBondContact O-N 3.4Å; Q550-F552 HydrophobicContact CB-CD2 4.46Å; Q550-F552 HydrophobicContact CB-CE2 3.74Å; Q550-F552 HydrophobicContact CB-CZ 4.02Å; Q550-F552 VanDerWaalsContact O-CD2 3.26Å; Q550-F552 WeakPolarHBondContact O-CD2 3.4Å; Q550-F552 WeakPolarHBondContact O-CE2 3.15Å; Q550-S593 PolarHBondContact OE1-OG 3.42Å |
| 551 | W | 93.3 | Very high | 91.2 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 131.6 | 171.2 | -71 | 94.9 | 0 | 0 | 0 | 110.9 | F329 R340 L592 S593 I602 A604 W634 I636 D660 | F329-W551 HydrophobicContact CZ-CD2 4.1Å; F329-W551 HydrophobicContact CZ-CE3 4.04Å; F329-W551 HydrophobicContact CZ-CG 4.47Å; F329-W551 HydrophobicContact CZ-CZ3 4.47Å; R340-W551 HydrophobicContact CB-CD2 4.18Å; R340-W551 HydrophobicContact CB-CE3 4.1Å; R340-W551 HydrophobicContact CB-CH2 4.39Å; R340-W551 HydrophobicContact CB-CZ2 4.48Å; R340-W551 HydrophobicContact CB-CZ3 4.21Å; R340-W551 HydrophobicContact CG-CD2 4.36Å; R340-W551 VanDerWaalsContact NH1-NE1 3.18Å; W551-L592 HydrophobicContact CB-CB 4.49Å; W551-L592 PolarHBondContact O-N 3.21Å; W551-S593 WeakPolarHBondContact CB-OG 3.44Å; W551-S593 PolarHBondContact N-OG 2.94Å; W551-I602 HydrophobicContact CB-CD1 4.47Å; W551-I602 VanDerWaalsContact CD1-CD1 3.42Å; W551-I602 HydrophobicContact CG-CD1 4.16Å; W551-I602 HydrophobicContact CG-CG2 4.46Å; W551-A604 HydrophobicContact CZ2-CB 3.69Å; W551-W634 HydrophobicContact CH2-CB 4.12Å; W551-W634 HydrophobicContact CZ2-CB 3.94Å; W551-W634 HydrophobicContact CZ2-CG 4.02Å; W551-I636 HydrophobicContact CH2-CD1 3.73Å; W551-I636 HydrophobicContact CZ2-CD1 4.1Å; W551-I636 HydrophobicContact CZ3-CD1 4.41Å; W551-D660 PolarHBondContact NE1-OD2 3.35Å |
| 552 | F | 92.8 | Very high | 91.3 | Very high | 13 Ų | 13 | 32 Ų | 32 | 6% | 0.057 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.9 | 179.1 | -66 | -89.3 | 0 | 0 | 0 | 110.6 | L338 Y339 D341 R343 V345 Q550 D589 W590 C591 | L338-F552 WeakPolarHBondContact CA-O 3.49Å; Y339-F552 HydrophobicContact CD1-CB 4.27Å; Y339-F552 HydrophobicContact CE1-CB 3.71Å; Y339-F552 HydrophobicContact CE2-CB 4.07Å; Y339-F552 HydrophobicContact CE2-CD2 4.41Å; Y339-F552 PolarHBondContact N-O 3.42Å; Y339-F552 PolarHBondContact O-N 2.85Å; D341-F552 HydrophobicContact CB-CD2 4.41Å; R343-F552 HydrophobicContact CB-CE2 4.23Å; R343-F552 HydrophobicContact CB-CZ 3.98Å; R343-F552 HydrophobicContact CG-CE2 4.46Å; V345-F552 HydrophobicContact CG1-CZ 4.05Å; Q550-F552 HydrophobicContact CB-CD2 4.46Å; Q550-F552 HydrophobicContact CB-CE2 3.74Å; Q550-F552 HydrophobicContact CB-CZ 4.02Å; Q550-F552 VanDerWaalsContact O-CD2 3.26Å; Q550-F552 WeakPolarHBondContact O-CD2 3.4Å; Q550-F552 WeakPolarHBondContact O-CE2 3.15Å; F552-D589 HydrophobicContact CB-CB 4.4Å; F552-D589 HydrophobicContact CD1-CB 4.43Å; F552-W590 WeakPolarHBondContact CA-O 3.39Å; F552-C591 HydrophobicContact CD1-CB 3.95Å; F552-C591 HydrophobicContact CE1-CB 3.63Å; F552-C591 HydrophobicContact CZ-CB 4.39Å |
| 553 | L | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123.2 | 170.6 | 178.7 | 62.1 | 0 | 0 | 0 | 109.5 | L332 L337 L338 C555 M558 D589 W590 L592 F668 L714 | L332-L553 HydrophobicContact CB-CD1 4.32Å; L332-L553 HydrophobicContact CD1-CD1 4.14Å; L332-L553 HydrophobicContact CD1-CD2 4.35Å; L332-L553 HydrophobicContact CD2-CD1 4.29Å; L332-L553 HydrophobicContact CG-CD1 4.49Å; L337-L553 HydrophobicContact CB-CD1 3.88Å; L338-L553 HydrophobicContact CD2-CB 3.87Å; L338-L553 HydrophobicContact CD2-CD1 3.77Å; L338-L553 HydrophobicContact CD2-CG 4.37Å; L338-L553 HydrophobicContact CG-CD1 4.06Å; L553-C555 PolarHBondContact O-N 3.48Å; L553-C555 PolarHBondContact O-SG 3.28Å; L553-M558 HydrophobicContact CD1-CE 4.01Å; L553-M558 HydrophobicContact CD2-CE 3.82Å; L553-M558 HydrophobicContact CG-CE 3.75Å; L553-D589 WeakPolarHBondContact O-CA 3.42Å; L553-W590 HydrophobicContact CB-CB 4.4Å; L553-W590 HydrophobicContact CD2-CE3 4.04Å; L553-W590 HydrophobicContact CD2-CZ3 4.46Å; L553-W590 PolarHBondContact N-O 2.95Å; L553-W590 PolarHBondContact O-N 3.17Å; L553-L592 HydrophobicContact CB-CD1 4.05Å; L553-L592 HydrophobicContact CB-CD2 4.42Å; L553-L592 HydrophobicContact CB-CG 4.17Å; L553-F668 HydrophobicContact CD2-CE2 4.43Å; L553-L714 HydrophobicContact CD2-CD2 3.88Å |
| 554 | R | 93.1 | Very high | 91.4 | Very high | 120 Ų | 120 | 37.4 Ų | 37.4 | 45% | 0.453 | 19% | 0.191 | S | C | . | . | trans | -67.3 | 114.4 | 175.4 | -68.6 | -175 | -178.6 | 162.5 | -1.4 | 110.8 | L337 Y339 M558 D589 | L337-R554 HydrophobicContact CD2-CB 4.16Å; L337-R554 PolarHBondContact O-N 2.95Å; Y339-R554 HydrophobicContact CD1-CG 3.78Å; Y339-R554 HydrophobicContact CE1-CG 3.4Å; R554-M558 WeakPolarHBondContact O-CE 3.43Å; R554-D589 VanDerWaalsContact CA-OD1 3.3Å; R554-D589 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 555 | C | 92.1 | Very high | 91.4 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 7% | 0.068 | 20% | 0.201 | C | C | . | . | trans | -97 | -19.1 | -174.6 | -72.9 | 0 | 0 | 0 | 0 | 113.8 | L553 S557 M558 A559 D589 | L553-C555 PolarHBondContact O-N 3.48Å; L553-C555 PolarHBondContact O-SG 3.28Å; C555-S557 PolarHBondContact O-N 3.05Å; C555-M558 PolarHBondContact O-N 2.9Å; C555-A559 VanDerWaalsContact O-CB 3.3Å; C555-A559 WeakPolarHBondContact O-CB 3.35Å; C555-A559 PolarHBondContact O-N 3.19Å; C555-D589 PolarHBondContact N-OD1 3.11Å | ||
| 556 | D | 90.1 | Very high | 91.4 | Very high | 66 Ų | 66 | 38.4 Ų | 38.4 | 35% | 0.353 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -54.8 | -53.8 | -168.6 | -62.3 | -8.2 | 0 | 0 | 0 | 114 | M558 A559 E560 R587 | D556-M558 PolarHBondContact O-N 2.9Å; D556-A559 PolarHBondContact O-N 2.77Å; D556-E560 WeakPolarHBondContact O-CB 3.35Å; D556-E560 PolarHBondContact O-N 2.59Å; D556-R587 VanDerWaalsContact OD1-CB 3.26Å; D556-R587 WeakPolarHBondContact OD1-CB 3.34Å |
| 557 | S | 91.7 | Very high | 91.6 | Very high | 56 Ų | 56 | 42.7 Ų | 42.7 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67.6 | -37.1 | -178.3 | 59.8 | 0 | 0 | 0 | 0 | 112 | C555 R561 | C555-S557 PolarHBondContact O-N 3.05Å; S557-R561 WeakPolarHBondContact O-CB 3.06Å; S557-R561 VanDerWaalsContact O-CG 3.25Å; S557-R561 WeakPolarHBondContact O-CG 3.5Å; S557-R561 PolarHBondContact O-N 3.01Å |
| 558 | M | 93.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.4 | -41.2 | 176.9 | -64.9 | -170.2 | -75.1 | 0 | 0 | 111.9 | L337 L553 R554 C555 D556 R561 T562 M713 L714 Q717 | L337-M558 HydrophobicContact CD1-SD 4.43Å; L553-M558 HydrophobicContact CD1-CE 4.01Å; L553-M558 HydrophobicContact CD2-CE 3.82Å; L553-M558 HydrophobicContact CG-CE 3.75Å; R554-M558 WeakPolarHBondContact O-CE 3.43Å; C555-M558 PolarHBondContact O-N 2.9Å; D556-M558 PolarHBondContact O-N 2.9Å; M558-R561 PolarHBondContact O-N 3.36Å; M558-T562 WeakPolarHBondContact O-CB 3.43Å; M558-T562 PolarHBondContact O-N 3.47Å; M558-T562 PolarHBondContact O-OG1 3.34Å; M558-M713 HydrophobicContact CB-CB 3.95Å; M558-M713 HydrophobicContact CB-CG 4.01Å; M558-M713 HydrophobicContact CB-SD 4.09Å; M558-M713 HydrophobicContact SD-CB 4.38Å; M558-L714 HydrophobicContact SD-CD2 4.39Å; M558-Q717 HydrophobicContact CG-CB 4.09Å; M558-Q717 HydrophobicContact CG-CG 4.28Å; M558-Q717 HydrophobicContact SD-CB 3.62Å; M558-Q717 HydrophobicContact SD-CG 3.85Å |
| 559 | A | 92.7 | Very high | 92.2 | Very high | 5 Ų | 5 | 49 Ų | 49 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -43.3 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | C555 D556 T562 M563 L584 M713 | C555-A559 VanDerWaalsContact O-CB 3.3Å; C555-A559 WeakPolarHBondContact O-CB 3.35Å; C555-A559 PolarHBondContact O-N 3.19Å; D556-A559 PolarHBondContact O-N 2.77Å; A559-T562 PolarHBondContact O-N 3.19Å; A559-M563 WeakPolarHBondContact O-CB 3.31Å; A559-M563 PolarHBondContact O-N 3.42Å; A559-L584 HydrophobicContact CB-CD2 4.1Å; A559-M713 HydrophobicContact CB-SD 3.96Å |
| 560 | E | 92.5 | Very high | 92.6 | Very high | 107 Ų | 107 | 49.9 Ų | 49.9 | 50% | 0.5 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.3 | -46 | 176.4 | -173 | 166 | 168.6 | 0 | 0 | 112.2 | D556 T562 M563 A564 R587 | D556-E560 WeakPolarHBondContact O-CB 3.35Å; D556-E560 PolarHBondContact O-N 2.59Å; E560-T562 VanDerWaalsContact C-N 3.31Å; E560-T562 PolarHBondContact O-N 3.26Å; E560-M563 PolarHBondContact O-N 3.34Å; E560-A564 WeakPolarHBondContact O-CB 3.44Å; E560-A564 PolarHBondContact O-N 3.35Å; E560-R587 IonicContact OE2-CZ 2.76Å; E560-R587 IonicContact OE2-NH1 2.92Å; E560-R587 PolarHBondContact OE2-NH1 3.04Å; E560-R587 IonicContact OE2-NH2 3.24Å |
| 561 | R | 93.4 | Very high | 92.8 | Very high | 89 Ų | 89 | 50.2 Ų | 50.2 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 174.3 | -73.1 | 178.3 | 68.2 | -167 | 2.1 | 112 | S557 M558 A564 L565 L716 Q717 N720 | S557-R561 WeakPolarHBondContact O-CB 3.06Å; S557-R561 VanDerWaalsContact O-CG 3.25Å; S557-R561 WeakPolarHBondContact O-CG 3.5Å; S557-R561 PolarHBondContact O-N 3.01Å; M558-R561 PolarHBondContact O-N 3.36Å; R561-A564 PolarHBondContact O-N 3.27Å; R561-L565 PolarHBondContact O-N 2.78Å; R561-L716 HydrophobicContact CB-CD2 3.71Å; R561-Q717 VanDerWaalsContact NH1-OE1 3.08Å; R561-N720 PolarHBondContact NH2-OD1 3.33Å |
| 562 | T | 93.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.5 | -40.4 | 179.1 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | M558 A559 E560 L565 L566 W580 L584 A712 M713 | M558-T562 WeakPolarHBondContact O-CB 3.43Å; M558-T562 PolarHBondContact O-N 3.47Å; M558-T562 PolarHBondContact O-OG1 3.34Å; A559-T562 PolarHBondContact O-N 3.19Å; E560-T562 VanDerWaalsContact C-N 3.31Å; E560-T562 PolarHBondContact O-N 3.26Å; T562-L565 PolarHBondContact O-N 3.07Å; T562-L566 PolarHBondContact O-N 2.87Å; T562-W580 HydrophobicContact CG2-CZ2 3.73Å; T562-L584 HydrophobicContact CG2-CD1 3.78Å; T562-A712 HydrophobicContact CG2-CB 3.76Å; T562-M713 WeakPolarHBondContact OG1-CG 3.25Å |
| 563 | M | 92.3 | Very high | 92.6 | Very high | 55 Ų | 55 | 52.5 Ų | 52.5 | 27% | 0.271 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 174.9 | -170.1 | 74 | 86.9 | 0 | 0 | 111.7 | A559 E560 L565 L566 K581 L584 | A559-M563 WeakPolarHBondContact O-CB 3.31Å; A559-M563 PolarHBondContact O-N 3.42Å; E560-M563 PolarHBondContact O-N 3.34Å; M563-L565 PolarHBondContact O-N 3.31Å; M563-L566 WeakPolarHBondContact O-CB 3.34Å; M563-L566 PolarHBondContact O-N 3.03Å; M563-L566 VanDerWaalsContact O-N 3.09Å; M563-K581 HydrophobicContact CE-CB 4.24Å; M563-K581 HydrophobicContact CE-CG 4.45Å; M563-K581 WeakPolarHBondContact CE-O 3.41Å; M563-K581 HydrophobicContact SD-CB 4.29Å; M563-K581 HydrophobicContact SD-CG 3.87Å; M563-L584 HydrophobicContact CB-CD1 4.33Å; M563-L584 HydrophobicContact CE-CB 3.5Å; M563-L584 VanDerWaalsContact CE-CB 3.5Å; M563-L584 HydrophobicContact SD-CB 4.33Å; M563-L584 HydrophobicContact SD-CD1 4.34Å |
| 564 | A | 93.3 | Very high | 92.3 | Very high | 74 Ų | 74 | 59.2 Ų | 59.2 | 61% | 0.612 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.2 | -27.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E560 R561 P567 | E560-A564 WeakPolarHBondContact O-CB 3.44Å; E560-A564 PolarHBondContact O-N 3.35Å; R561-A564 PolarHBondContact O-N 3.27Å; A564-P567 WeakPolarHBondContact O-CD 2.97Å |
| 565 | L | 93.1 | Very high | 92 | Very high | 40 Ų | 40 | 56 Ų | 56 | 21% | 0.209 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 2.6 | 177.7 | -62.1 | 179.8 | 0 | 0 | 0 | 114.1 | R561 T562 M563 P567 R568 L716 L722 | R561-L565 PolarHBondContact O-N 2.78Å; T562-L565 PolarHBondContact O-N 3.07Å; M563-L565 PolarHBondContact O-N 3.31Å; L565-P567 VanDerWaalsContact C-N 3.27Å; L565-R568 WeakPolarHBondContact O-CB 3.33Å; L565-R568 PolarHBondContact O-N 3.12Å; L565-L716 HydrophobicContact CD1-CD1 3.59Å; L565-L716 HydrophobicContact CD1-CD2 3.73Å; L565-L716 HydrophobicContact CD1-CG 4.34Å; L565-L722 HydrophobicContact CB-CD1 4.07Å; L565-L722 HydrophobicContact CB-CD2 4.47Å; L565-L722 HydrophobicContact CD1-CD1 4.35Å; L565-L722 HydrophobicContact CD1-CD2 4.21Å; L565-L722 HydrophobicContact CD1-CG 4.12Å |
| 566 | L | 90.2 | Very high | 92 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -51 | -36.2 | 175.9 | -179.3 | 60.9 | 0 | 0 | 0 | 114.1 | T562 M563 R568 I569 I571 R577 W580 K581 | T562-L566 PolarHBondContact O-N 2.87Å; M563-L566 WeakPolarHBondContact O-CB 3.34Å; M563-L566 PolarHBondContact O-N 3.03Å; M563-L566 VanDerWaalsContact O-N 3.09Å; L566-R568 PolarHBondContact O-N 3.15Å; L566-R568 VanDerWaalsContact O-N 3.14Å; L566-I569 PolarHBondContact O-N 3.29Å; L566-I569 VanDerWaalsContact O-N 3.08Å; L566-I571 HydrophobicContact CD1-CD1 3.86Å; L566-R577 HydrophobicContact CD1-CG 4.28Å; L566-R577 HydrophobicContact CD2-CG 4.04Å; L566-W580 HydrophobicContact CD1-CG 4.28Å; L566-K581 HydrophobicContact CD2-CD 4.34Å; L566-K581 HydrophobicContact CD2-CG 3.86Å |
| 567 | P | 92.2 | Very high | 92 | Very high | 104 Ų | 104 | 57.4 Ų | 57.4 | 68% | 0.675 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -60.9 | -18.4 | 174.5 | -25 | 36.1 | 0 | 0 | 0 | 114.8 | A564 L565 | A564-P567 WeakPolarHBondContact O-CD 2.97Å; L565-P567 VanDerWaalsContact C-N 3.27Å |
| 568 | R | 92.7 | Very high | 92 | Very high | 185 Ų | 185 | 59.9 Ų | 59.9 | 70% | 0.698 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -90.8 | -3.4 | 177 | -57.4 | -171.9 | 179.9 | -174.8 | -2.4 | 113.5 | L565 L566 L722 | L565-R568 WeakPolarHBondContact O-CB 3.33Å; L565-R568 PolarHBondContact O-N 3.12Å; L566-R568 PolarHBondContact O-N 3.15Å; L566-R568 VanDerWaalsContact O-N 3.14Å; R568-L722 HydrophobicContact CB-CD1 4.24Å |
| 569 | I | 93.5 | Very high | 91.8 | Very high | 7 Ų | 7 | 64 Ų | 64 | 4% | 0.036 | 33% | 0.331 | C | S | . | . | trans | -113.7 | 117.5 | -178.3 | -54.9 | 175.2 | 0 | 0 | 0 | 108.7 | L566 I571 W580 L722 F724 S725 I727 | L566-I569 PolarHBondContact O-N 3.29Å; L566-I569 VanDerWaalsContact O-N 3.08Å; I569-I571 HydrophobicContact CG2-CD1 4.42Å; I569-I571 HydrophobicContact CG2-CG1 3.84Å; I569-W580 HydrophobicContact CD1-CZ2 4.09Å; I569-L722 HydrophobicContact CD1-CD1 3.96Å; I569-L722 HydrophobicContact CD1-CD2 4.07Å; I569-L722 HydrophobicContact CG1-CD1 3.7Å; I569-F724 HydrophobicContact CG2-CD2 4.42Å; I569-F724 HydrophobicContact CG2-CE2 4.42Å; I569-S725 WeakPolarHBondContact CA-O 3.46Å; I569-I727 HydrophobicContact CG2-CD1 3.75Å; I569-I727 HydrophobicContact CG2-CG1 3.85Å | ||
| 570 | H | 93.9 | Very high | 91.7 | Very high | 103 Ų | 103 | 63.8 Ų | 63.8 | 48% | 0.477 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 113.1 | 172.7 | -172.1 | -156.2 | 0 | 0 | 0 | 109.8 | S725 R726 I727 | H570-S725 PolarHBondContact N-O 2.96Å; H570-R726 HydrophobicContact CB-CG 4.21Å; H570-R726 CarbonylContact O-C 3.55Å; H570-R726 VanDerWaalsContact O-CA 3.3Å; H570-R726 WeakPolarHBondContact O-CA 3.46Å; H570-I727 PolarHBondContact O-N 3.44Å |
| 571 | I | 94.2 | Very high | 91.7 | Very high | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125.5 | -178.4 | -57.2 | -179.1 | 0 | 0 | 0 | 109.3 | L566 I569 M576 W580 I727 F729 | L566-I571 HydrophobicContact CD1-CD1 3.86Å; I569-I571 HydrophobicContact CG2-CD1 4.42Å; I569-I571 HydrophobicContact CG2-CG1 3.84Å; I571-M576 HydrophobicContact CG2-CB 3.78Å; I571-W580 HydrophobicContact CD1-CB 3.98Å; I571-W580 HydrophobicContact CD1-CD2 3.94Å; I571-W580 HydrophobicContact CD1-CE3 4.09Å; I571-W580 HydrophobicContact CD1-CG 3.9Å; I571-I727 HydrophobicContact CD1-CD1 4.37Å; I571-I727 HydrophobicContact CG1-CD1 4.1Å; I571-F729 HydrophobicContact CG2-CD2 3.82Å; I571-F729 HydrophobicContact CG2-CE2 3.77Å |
| 572 | L | 91.8 | Very high | 91.5 | Very high | 30 Ų | 30 | 62.5 Ų | 62.5 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 133.1 | 177.2 | -65.6 | 173.2 | 0 | 0 | 0 | 109.9 | I727 F728 F729 Y850 | L572-I727 PolarHBondContact N-O 3.36Å; L572-F728 HydrophobicContact CB-CD2 3.99Å; L572-F728 WeakPolarHBondContact O-CA 3.49Å; L572-F729 PolarHBondContact O-N 3.06Å; L572-Y850 HydrophobicContact CD1-CD2 3.54Å; L572-Y850 HydrophobicContact CD1-CE2 3.81Å |
| 573 | P | 91.7 | Very high | 91.1 | Very high | 36 Ų | 36 | 67.5 Ų | 67.5 | 23% | 0.234 | 35% | 0.346 | C | S | . | . | S | Bend | cis | -69.3 | 157.7 | -8.3 | 30.8 | -34.8 | 0 | 0 | 0 | 112.2 | G575 M576 F729 K778 | P573-G575 PolarHBondContact O-N 3.14Å; P573-G575 VanDerWaalsContact O-N 3.15Å; P573-M576 HydrophobicContact CG-CG 3.97Å; P573-M576 WeakPolarHBondContact O-CB 3.34Å; P573-M576 PolarHBondContact O-N 3.15Å; P573-F729 WeakPolarHBondContact CD-O 3.44Å; P573-K778 HydrophobicContact CB-CB 4.29Å; P573-K778 HydrophobicContact CG-CB 4.42Å |
| 574 | E | 87.4 | Confident | 91 | Very high | 141 Ų | 141 | 65.2 Ų | 65.2 | 66% | 0.659 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27 | -171.7 | -168.2 | 157.6 | -159.4 | 0 | 0 | 113.7 | M576 R577 | E574-M576 PolarHBondContact O-N 3.25Å; E574-R577 WeakPolarHBondContact O-CB 3.49Å; E574-R577 PolarHBondContact O-N 3.26Å; E574-R577 VanDerWaalsContact O-N 3.07Å |
| 575 | G | 87.3 | Confident | 90.6 | Very high | 53 Ų | 53 | 64.9 Ų | 64.9 | 55% | 0.546 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -30.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | P573 R577 N578 | P573-G575 PolarHBondContact O-N 3.14Å; P573-G575 VanDerWaalsContact O-N 3.15Å; G575-R577 PolarHBondContact O-N 2.56Å; G575-R577 VanDerWaalsContact O-N 3.11Å; G575-N578 PolarHBondContact O-N 3.34Å |
| 576 | M | 90.8 | Very high | 89.7 | Confident | 24 Ų | 24 | 68.9 Ų | 68.9 | 12% | 0.118 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.4 | -13.3 | 177.8 | -68.2 | -58.8 | -56.2 | 0 | 0 | 113.1 | I571 P573 E574 N578 E579 W580 H701 L704 F729 | I571-M576 HydrophobicContact CG2-CB 3.78Å; P573-M576 HydrophobicContact CG-CG 3.97Å; P573-M576 WeakPolarHBondContact O-CB 3.34Å; P573-M576 PolarHBondContact O-N 3.15Å; E574-M576 PolarHBondContact O-N 3.25Å; M576-N578 PolarHBondContact O-N 3.13Å; M576-E579 HydrophobicContact CE-CB 4.08Å; M576-E579 HydrophobicContact CE-CG 4.26Å; M576-E579 PolarHBondContact O-N 3.14Å; M576-E579 HydrophobicContact SD-CG 4.49Å; M576-W580 PolarHBondContact O-N 2.81Å; M576-H701 HydrophobicContact CE-CB 3.61Å; M576-H701 HydrophobicContact SD-CB 3.95Å; M576-L704 HydrophobicContact CE-CB 4.48Å; M576-L704 HydrophobicContact CE-CD1 3.3Å; M576-F729 HydrophobicContact CB-CD2 3.82Å; M576-F729 HydrophobicContact CB-CE2 4.36Å; M576-F729 HydrophobicContact CE-CD2 4.28Å; M576-F729 HydrophobicContact CE-CG 4.37Å; M576-F729 HydrophobicContact CG-CB 4.1Å; M576-F729 HydrophobicContact CG-CD2 3.93Å; M576-F729 HydrophobicContact CG-CG 4.31Å |
| 577 | R | 91.4 | Very high | 88.8 | Confident | 80 Ų | 80 | 74.9 Ų | 74.9 | 30% | 0.302 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.3 | -30.7 | 174.9 | -165.9 | 173.9 | -169 | 170.8 | 4.7 | 112.5 | L566 E574 G575 K581 | L566-R577 HydrophobicContact CD1-CG 4.28Å; L566-R577 HydrophobicContact CD2-CG 4.04Å; E574-R577 WeakPolarHBondContact O-CB 3.49Å; E574-R577 PolarHBondContact O-N 3.26Å; E574-R577 VanDerWaalsContact O-N 3.07Å; G575-R577 PolarHBondContact O-N 2.56Å; G575-R577 VanDerWaalsContact O-N 3.11Å; R577-K581 WeakPolarHBondContact O-CG 3.35Å; R577-K581 PolarHBondContact O-N 3.42Å; R577-K581 VanDerWaalsContact O-N 3.15Å |
| 578 | N | 91.1 | Very high | 88.2 | Confident | 108 Ų | 108 | 73.2 Ų | 73.2 | 58% | 0.578 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -72.6 | -41 | 176 | -69.7 | -23 | 0 | 0 | 0 | 111.1 | G575 M576 W580 K581 N582 | G575-N578 PolarHBondContact O-N 3.34Å; M576-N578 PolarHBondContact O-N 3.13Å; N578-W580 VanDerWaalsContact C-N 3.33Å; N578-W580 PolarHBondContact O-N 2.93Å; N578-K581 PolarHBondContact O-N 3.4Å; N578-N582 WeakPolarHBondContact O-CB 3.38Å; N578-N582 PolarHBondContact O-N 2.93Å |
| 579 | E | 88.7 | Confident | 88 | Confident | 90 Ų | 90 | 65.8 Ų | 65.8 | 42% | 0.421 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 173.5 | -68.1 | -57 | 147.6 | 0 | 0 | 111.9 | M576 K581 N582 W583 L704 | M576-E579 HydrophobicContact CE-CB 4.08Å; M576-E579 HydrophobicContact CE-CG 4.26Å; M576-E579 PolarHBondContact O-N 3.14Å; M576-E579 HydrophobicContact SD-CG 4.49Å; E579-K581 PolarHBondContact O-N 3.47Å; E579-N582 PolarHBondContact O-N 2.94Å; E579-W583 PolarHBondContact O-N 3.48Å; E579-L704 HydrophobicContact CB-CD1 4.26Å |
| 580 | W | 91 | Very high | 87.9 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.6 | -47.5 | 172.5 | -178.4 | -81.7 | 0 | 0 | 0 | 112.7 | T562 L566 I569 I571 M576 N578 W583 L584 L704 V708 T709 A712 F724 I727 | T562-W580 HydrophobicContact CG2-CZ2 3.73Å; L566-W580 HydrophobicContact CD1-CG 4.28Å; I569-W580 HydrophobicContact CD1-CZ2 4.09Å; I571-W580 HydrophobicContact CD1-CB 3.98Å; I571-W580 HydrophobicContact CD1-CD2 3.94Å; I571-W580 HydrophobicContact CD1-CE3 4.09Å; I571-W580 HydrophobicContact CD1-CG 3.9Å; M576-W580 PolarHBondContact O-N 2.81Å; N578-W580 VanDerWaalsContact C-N 3.33Å; N578-W580 PolarHBondContact O-N 2.93Å; W580-W583 PolarHBondContact O-N 3.11Å; W580-L584 HydrophobicContact CZ2-CD1 4.25Å; W580-L584 PolarHBondContact O-N 3.39Å; W580-L704 HydrophobicContact CE3-CD2 4.2Å; W580-L704 HydrophobicContact CE3-CG 4.32Å; W580-V708 HydrophobicContact CZ3-CB 4.33Å; W580-V708 HydrophobicContact CZ3-CG1 3.87Å; W580-T709 HydrophobicContact CD2-CG2 4.05Å; W580-T709 HydrophobicContact CE3-CG2 3.72Å; W580-T709 HydrophobicContact CH2-CG2 4.11Å; W580-T709 HydrophobicContact CZ2-CG2 4.41Å; W580-T709 HydrophobicContact CZ3-CG2 3.75Å; W580-A712 HydrophobicContact CH2-CB 3.85Å; W580-A712 HydrophobicContact CZ2-CB 4.17Å; W580-F724 HydrophobicContact CH2-CE2 4.41Å; W580-F724 HydrophobicContact CH2-CZ 4.43Å; W580-I727 HydrophobicContact CE3-CD1 4.26Å; W580-I727 HydrophobicContact CH2-CD1 4.2Å; W580-I727 HydrophobicContact CZ3-CD1 3.72Å |
| 581 | K | 91.4 | Very high | 87.8 | Confident | 92 Ų | 92 | 62 Ų | 62 | 40% | 0.4 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 177.7 | -72.3 | 173.3 | 179.7 | 178.6 | 0 | 111.4 | M563 L566 R577 N578 E579 W583 L584 S585 | M563-K581 HydrophobicContact CE-CB 4.24Å; M563-K581 HydrophobicContact CE-CG 4.45Å; M563-K581 WeakPolarHBondContact CE-O 3.41Å; M563-K581 HydrophobicContact SD-CB 4.29Å; M563-K581 HydrophobicContact SD-CG 3.87Å; L566-K581 HydrophobicContact CD2-CD 4.34Å; L566-K581 HydrophobicContact CD2-CG 3.86Å; R577-K581 WeakPolarHBondContact O-CG 3.35Å; R577-K581 PolarHBondContact O-N 3.42Å; R577-K581 VanDerWaalsContact O-N 3.15Å; N578-K581 PolarHBondContact O-N 3.4Å; E579-K581 PolarHBondContact O-N 3.47Å; K581-W583 VanDerWaalsContact C-N 3.33Å; K581-W583 PolarHBondContact O-N 2.97Å; K581-L584 PolarHBondContact O-N 2.88Å; K581-S585 WeakPolarHBondContact O-CB 3.11Å; K581-S585 PolarHBondContact O-N 2.91Å; K581-S585 PolarHBondContact O-OG 3.35Å |
| 582 | N | 89 | Confident | 87.7 | Confident | 76 Ų | 76 | 61.6 Ų | 61.6 | 41% | 0.406 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | -180 | -169.5 | 33.8 | 0 | 0 | 0 | 111.4 | N578 E579 L584 S585 H586 | N578-N582 WeakPolarHBondContact O-CB 3.38Å; N578-N582 PolarHBondContact O-N 2.93Å; E579-N582 PolarHBondContact O-N 2.94Å; N582-L584 PolarHBondContact O-N 3.17Å; N582-S585 PolarHBondContact O-N 3.06Å; N582-S585 PolarHBondContact O-OG 3.25Å; N582-H586 PolarHBondContact O-ND1 2.95Å; N582-H586 PolarHBondContact OD1-CE1 3Å |
| 583 | W | 86.3 | Confident | 87.7 | Confident | 105 Ų | 105 | 60.1 Ų | 60.1 | 40% | 0.398 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 176.5 | -89 | 100.9 | 0 | 0 | 0 | 113.3 | A358 E579 W580 K581 L704 T709 | A358-W583 HydrophobicContact CB-CH2 3.81Å; A358-W583 HydrophobicContact CB-CZ3 4.29Å; E579-W583 PolarHBondContact O-N 3.48Å; W580-W583 PolarHBondContact O-N 3.11Å; K581-W583 VanDerWaalsContact C-N 3.33Å; K581-W583 PolarHBondContact O-N 2.97Å; W583-L704 HydrophobicContact CB-CD2 4.41Å; W583-L704 HydrophobicContact CG-CD2 4.23Å; W583-T709 HydrophobicContact CB-CG2 4.29Å |
| 584 | L | 89.2 | Confident | 87.7 | Confident | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -80.4 | -13.8 | 180 | -67.7 | -179 | 0 | 0 | 0 | 113.9 | A559 T562 M563 W580 K581 N582 T709 M713 | A559-L584 HydrophobicContact CB-CD2 4.1Å; T562-L584 HydrophobicContact CG2-CD1 3.78Å; M563-L584 HydrophobicContact CB-CD1 4.33Å; M563-L584 HydrophobicContact CE-CB 3.5Å; M563-L584 VanDerWaalsContact CE-CB 3.5Å; M563-L584 HydrophobicContact SD-CB 4.33Å; M563-L584 HydrophobicContact SD-CD1 4.34Å; W580-L584 HydrophobicContact CZ2-CD1 4.25Å; W580-L584 PolarHBondContact O-N 3.39Å; K581-L584 PolarHBondContact O-N 2.88Å; N582-L584 PolarHBondContact O-N 3.17Å; L584-T709 HydrophobicContact CD2-CG2 4.31Å; L584-T709 HydrophobicContact CG-CG2 4.37Å; L584-M713 HydrophobicContact CD2-CG 4.45Å; L584-M713 HydrophobicContact CD2-SD 4.22Å |
| 585 | S | 86.1 | Confident | 87.8 | Confident | 67 Ų | 67 | 54.2 Ų | 54.2 | 47% | 0.469 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -79.6 | -24.8 | 174.9 | 61.9 | 0 | 0 | 0 | 0 | 113.1 | K581 N582 R587 | K581-S585 WeakPolarHBondContact O-CB 3.11Å; K581-S585 PolarHBondContact O-N 2.91Å; K581-S585 PolarHBondContact O-OG 3.35Å; N582-S585 PolarHBondContact O-N 3.06Å; N582-S585 PolarHBondContact O-OG 3.25Å; S585-R587 PolarHBondContact O-N 2.95Å; S585-R587 VanDerWaalsContact O-N 3.11Å |
| 586 | H | 73.8 | Confident | 87.8 | Confident | 124 Ų | 124 | 51.8 Ų | 51.8 | 57% | 0.574 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -80.5 | 88.1 | 175.8 | -68.4 | 86.1 | 0 | 0 | 0 | 110.4 | N582 V588 | N582-H586 PolarHBondContact O-ND1 2.95Å; N582-H586 PolarHBondContact OD1-CE1 3Å; H586-V588 VanDerWaalsContact C-N 3.32Å; H586-V588 PolarHBondContact O-N 3.31Å |
| 587 | R | 71.3 | Confident | 87.8 | Confident | 132 Ų | 132 | 54.1 Ų | 54.1 | 50% | 0.498 | 25% | 0.254 | S | S | . | . | trans | -77.8 | 71.7 | -176.6 | -70.3 | -174.9 | -163.8 | -136 | 3.8 | 112 | D556 E560 S585 | D556-R587 VanDerWaalsContact OD1-CB 3.26Å; D556-R587 WeakPolarHBondContact OD1-CB 3.34Å; E560-R587 IonicContact OE2-CZ 2.76Å; E560-R587 IonicContact OE2-NH1 2.92Å; E560-R587 PolarHBondContact OE2-NH1 3.04Å; E560-R587 IonicContact OE2-NH2 3.24Å; S585-R587 PolarHBondContact O-N 2.95Å; S585-R587 VanDerWaalsContact O-N 3.11Å | ||
| 588 | V | 79.1 | Confident | 87.9 | Confident | 68 Ų | 68 | 50.8 Ų | 50.8 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | trans | -114.2 | 133.2 | 177.5 | -171.9 | 0 | 0 | 0 | 0 | 109.6 | H586 | H586-V588 VanDerWaalsContact C-N 3.32Å; H586-V588 PolarHBondContact O-N 3.31Å | ||
| 589 | D | 89.3 | Confident | 88 | Confident | 29 Ų | 29 | 46.2 Ų | 46.2 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | trans | -64.6 | 134.6 | 176 | -70.7 | -14.5 | 0 | 0 | 0 | 111.6 | Y339 R343 F552 L553 R554 C555 C591 | Y339-D589 WeakPolarHBondContact CE1-OD2 3.46Å; Y339-D589 PolarHBondContact OH-OD2 3.41Å; R343-D589 IonicContact NH1-OD2 3.45Å; F552-D589 HydrophobicContact CB-CB 4.4Å; F552-D589 HydrophobicContact CD1-CB 4.43Å; L553-D589 WeakPolarHBondContact O-CA 3.42Å; R554-D589 VanDerWaalsContact CA-OD1 3.3Å; R554-D589 WeakPolarHBondContact CA-OD1 3.45Å; C555-D589 PolarHBondContact N-OD1 3.11Å; D589-C591 PolarHBondContact O-N 3.4Å | ||
| 590 | W | 90.5 | Very high | 88.3 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 5% | 0.045 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 111.8 | -174.3 | 179.4 | 10.5 | 0 | 0 | 0 | 110.8 | F552 L553 L592 D665 W667 F668 R710 L714 | F552-W590 WeakPolarHBondContact CA-O 3.39Å; L553-W590 HydrophobicContact CB-CB 4.4Å; L553-W590 HydrophobicContact CD2-CE3 4.04Å; L553-W590 HydrophobicContact CD2-CZ3 4.46Å; L553-W590 PolarHBondContact N-O 2.95Å; L553-W590 PolarHBondContact O-N 3.17Å; W590-L592 HydrophobicContact CD2-CD2 3.57Å; W590-L592 HydrophobicContact CE3-CD2 4.01Å; W590-L592 HydrophobicContact CG-CD2 3.88Å; W590-L592 HydrophobicContact CH2-CD2 4.42Å; W590-L592 HydrophobicContact CZ2-CD2 4Å; W590-L592 HydrophobicContact CZ3-CD2 4.41Å; W590-L592 PolarHBondContact O-N 3.39Å; W590-D665 HydrophobicContact CZ2-CB 4.27Å; W590-D665 PolarHBondContact NE1-OD2 3.03Å; W590-W667 HydrophobicContact CH2-CB 4.19Å; W590-W667 HydrophobicContact CZ2-CB 3.77Å; W590-F668 HydrophobicContact CH2-CB 3.99Å; W590-F668 HydrophobicContact CH2-CD2 4.33Å; W590-F668 HydrophobicContact CZ2-CB 4.13Å; W590-F668 HydrophobicContact CZ3-CD2 4.38Å; W590-R710 VanDerWaalsContact CE2-CZ 3.44Å; W590-R710 HydrophobicContact CE3-CG 4.12Å; W590-R710 HydrophobicContact CH2-CB 4.25Å; W590-R710 HydrophobicContact CH2-CG 4.11Å; W590-R710 HydrophobicContact CZ3-CB 4Å; W590-R710 HydrophobicContact CZ3-CG 3.75Å; W590-L714 HydrophobicContact CZ3-CD1 4.47Å |
| 591 | C | 91.8 | Very high | 88.3 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 12% | 0.122 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 111.6 | 169.7 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | F552 D589 R594 | F552-C591 HydrophobicContact CD1-CB 3.95Å; F552-C591 HydrophobicContact CE1-CB 3.63Å; F552-C591 HydrophobicContact CZ-CB 4.39Å; D589-C591 PolarHBondContact O-N 3.4Å; C591-R594 PolarHBondContact O-NH1 3.48Å; C591-R594 PolarHBondContact O-NH2 3.47Å |
| 592 | L | 92.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -89.5 | -31.4 | -177.4 | -64.7 | -172.6 | 0 | 0 | 0 | 113.4 | F329 L338 W551 L553 W590 L664 D665 F668 | F329-L592 HydrophobicContact CE2-CD1 4.15Å; L338-L592 HydrophobicContact CD2-CD1 3.42Å; L338-L592 VanDerWaalsContact CD2-CD1 3.42Å; W551-L592 HydrophobicContact CB-CB 4.49Å; W551-L592 PolarHBondContact O-N 3.21Å; L553-L592 HydrophobicContact CB-CD1 4.05Å; L553-L592 HydrophobicContact CB-CD2 4.42Å; L553-L592 HydrophobicContact CB-CG 4.17Å; W590-L592 HydrophobicContact CD2-CD2 3.57Å; W590-L592 HydrophobicContact CE3-CD2 4.01Å; W590-L592 HydrophobicContact CG-CD2 3.88Å; W590-L592 HydrophobicContact CH2-CD2 4.42Å; W590-L592 HydrophobicContact CZ2-CD2 4Å; W590-L592 HydrophobicContact CZ3-CD2 4.41Å; W590-L592 PolarHBondContact O-N 3.39Å; L592-L664 HydrophobicContact CB-CD2 4.15Å; L592-L664 HydrophobicContact CD1-CD2 4.37Å; L592-L664 CarbonylContact O-C 3.57Å; L592-L664 WeakPolarHBondContact O-CA 3.37Å; L592-D665 PolarHBondContact O-N 3.13Å; L592-F668 HydrophobicContact CD1-CD2 4Å; L592-F668 HydrophobicContact CD1-CE2 4.06Å; L592-F668 HydrophobicContact CD2-CB 4.26Å; L592-F668 HydrophobicContact CD2-CD2 3.82Å; L592-F668 HydrophobicContact CD2-CG 4.32Å | ||
| 593 | S | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 140.8 | -177.4 | -67.7 | 0 | 0 | 0 | 0 | 113.1 | S354 Q550 W551 I602 V663 | S354-S593 PolarHBondContact OG-O 2.73Å; Q550-S593 PolarHBondContact OE1-OG 3.42Å; W551-S593 WeakPolarHBondContact CB-OG 3.44Å; W551-S593 PolarHBondContact N-OG 2.94Å; S593-I602 WeakPolarHBondContact OG-CD1 3.05Å; S593-V663 CarbonylContact C-O 3.58Å |
| 594 | R | 91.2 | Very high | 88.8 | Confident | 13 Ų | 13 | 34.6 Ų | 34.6 | 5% | 0.049 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 133.1 | 171.2 | -59.3 | -68.2 | 176.5 | -94.2 | -4.6 | 109.1 | S354 C591 S596 V663 D665 | S354-R594 WeakPolarHBondContact O-CD 3.46Å; C591-R594 PolarHBondContact O-NH1 3.48Å; C591-R594 PolarHBondContact O-NH2 3.47Å; R594-S596 PolarHBondContact O-N 3.36Å; R594-V663 HydrophobicContact CB-CG2 4.03Å; R594-V663 PolarHBondContact N-O 2.89Å; R594-V663 WeakPolarHBondContact O-CG2 3.41Å; R594-V663 PolarHBondContact O-N 3.08Å; R594-D665 HydrophobicContact CG-CB 4.48Å; R594-D665 IonicContact CZ-OD2 3.69Å; R594-D665 IonicContact NE-OD1 3.29Å; R594-D665 IonicContact NH2-OD1 3.95Å; R594-D665 IonicContact NH2-OD2 2.92Å; R594-D665 PolarHBondContact NH2-OD2 3.44Å |
| 595 | Q | 90.3 | Very high | 88.8 | Confident | 39 Ų | 39 | 35.7 Ų | 35.7 | 18% | 0.182 | 17% | 0.17 | C | C | . | . | trans | -83.4 | 60.1 | 177.8 | -68.6 | 65.4 | 49.1 | 0 | 0 | 110.6 | W347 Q352 S353 S354 D662 | W347-Q595 HydrophobicContact CH2-CB 4.33Å; W347-Q595 HydrophobicContact CH2-CG 3.98Å; W347-Q595 HydrophobicContact CZ3-CG 4.14Å; W347-Q595 VanDerWaalsContact CZ3-OE1 3.28Å; Q352-Q595 WeakPolarHBondContact O-CB 3.19Å; S353-Q595 PolarHBondContact OG-N 2.8Å; S354-Q595 VanDerWaalsContact N-OE1 3.12Å; S354-Q595 PolarHBondContact OG-OE1 2.74Å; Q595-D662 WeakPolarHBondContact CG-OD1 3.4Å; Q595-D662 PolarHBondContact NE2-OD1 2.96Å; Q595-D662 PolarHBondContact NE2-OD2 3.12Å | ||
| 596 | S | 88 | Confident | 88.6 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | trans | -116.7 | 155.7 | 179.5 | 167.3 | 0 | 0 | 0 | 0 | 109.6 | Q259 R594 W598 V663 | Q259-S596 PolarHBondContact OE1-OG 2.64Å; R594-S596 PolarHBondContact O-N 3.36Å; S596-W598 PolarHBondContact OG-N 3.46Å; S596-W598 PolarHBondContact OG-O 3.16Å; S596-V663 WeakPolarHBondContact O-CG1 3.38Å | ||
| 597 | W | 90.5 | Very high | 88.6 | Confident | 73 Ų | 73 | 34.8 Ų | 34.8 | 28% | 0.277 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -90.9 | -24.5 | 175.4 | -70.2 | -6 | 0 | 0 | 0 | 112.2 | R274 R279 F282 | R274-W597 HydrophobicContact CG-CE3 3.66Å; R274-W597 HydrophobicContact CG-CH2 4.05Å; R274-W597 HydrophobicContact CG-CZ3 3.4Å; R274-W597 VanDerWaalsContact CG-CZ3 3.4Å; R279-W597 HydrophobicContact CB-CD2 4.2Å; R279-W597 HydrophobicContact CB-CE3 4.28Å; R279-W597 HydrophobicContact CG-CB 4.09Å; R279-W597 HydrophobicContact CG-CD2 4.11Å; R279-W597 HydrophobicContact CG-CE3 4.47Å; R279-W597 HydrophobicContact CG-CG 3.94Å; F282-W597 HydrophobicContact CB-CE3 3.91Å; F282-W597 HydrophobicContact CB-CZ3 4.22Å; F282-W597 HydrophobicContact CD1-CB 4.2Å; F282-W597 HydrophobicContact CD1-CE3 4.01Å; F282-W597 HydrophobicContact CG-CE3 4.03Å |
| 598 | W | 93 | Very high | 88.5 | Confident | 10 Ų | 10 | 33.4 Ų | 33.4 | 4% | 0.038 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -100.1 | 128.6 | 178.9 | -175.5 | -112.3 | 0 | 0 | 0 | 112.2 | H253 Q259 V283 C286 E287 S290 Y315 L317 S596 | H253-W598 PolarHBondContact O-NE1 3.33Å; H253-W598 VanDerWaalsContact O-NE1 3.11Å; Q259-W598 HydrophobicContact CB-CB 4.19Å; V283-W598 HydrophobicContact CG1-CE3 4.25Å; V283-W598 HydrophobicContact CG1-CZ3 4Å; C286-W598 HydrophobicContact CB-CD2 3.52Å; C286-W598 HydrophobicContact CB-CE3 3.27Å; C286-W598 HydrophobicContact CB-CG 4.23Å; C286-W598 HydrophobicContact CB-CH2 3.76Å; C286-W598 HydrophobicContact CB-CZ2 3.97Å; C286-W598 HydrophobicContact CB-CZ3 3.41Å; C286-W598 VanDerWaalsContact CB-CZ3 3.41Å; E287-W598 HydrophobicContact CG-CH2 3.82Å; E287-W598 HydrophobicContact CG-CZ3 3.82Å; S290-W598 WeakPolarHBondContact OG-CZ2 3.45Å; Y315-W598 VanDerWaalsContact OH-CZ2 3.26Å; Y315-W598 WeakPolarHBondContact OH-CZ2 3.49Å; L317-W598 HydrophobicContact CD1-CD2 4.32Å; L317-W598 HydrophobicContact CD1-CH2 3.85Å; L317-W598 HydrophobicContact CD1-CZ2 3.55Å; L317-W598 HydrophobicContact CD1-CZ3 4.35Å; S596-W598 PolarHBondContact OG-N 3.46Å; S596-W598 PolarHBondContact OG-O 3.16Å |
| 599 | G | 93.3 | Very high | 87.8 | Confident | 13 Ų | 13 | 33 Ų | 33 | 13% | 0.134 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 133.3 | -179.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R601 | G599-R601 PolarHBondContact O-N 3.04Š|
| 600 | H | 94 | Very high | 86.3 | Confident | 12 Ų | 12 | 36.9 Ų | 36.9 | 6% | 0.056 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 119.7 | 175.7 | -72.4 | -78.4 | 0 | 0 | 0 | 110.2 | T316 S322 V325 V663 L664 | T316-H600 PolarHBondContact O-CE1 3.31Å; T316-H600 PolarHBondContact O-NE2 3.29Å; S322-H600 PolarHBondContact OG-CE1 3.29Å; V325-H600 HydrophobicContact CG1-CB 4.12Å; H600-V663 CarbonylContact O-C 3.51Å; H600-V663 WeakPolarHBondContact O-CA 3.34Å; H600-V663 VanDerWaalsContact O-CB 3.27Å; H600-V663 WeakPolarHBondContact O-CB 3.5Å; H600-L664 HydrophobicContact CB-CB 4.31Å; H600-L664 HydrophobicContact CB-CD1 4.06Å; H600-L664 PolarHBondContact O-N 3.25Å |
| 601 | R | 91.7 | Very high | 84.6 | Confident | 100 Ų | 100 | 43.1 Ų | 43.1 | 38% | 0.377 | 20% | 0.2 | S | C | . | . | B | Isolated β-bridge | trans | -61.6 | 143.2 | 170.4 | -69.7 | -169.8 | 72.5 | 165.5 | 8.2 | 109.9 | G599 P603 D660 E661 V663 | G599-R601 PolarHBondContact O-N 3.04Å; R601-P603 WeakPolarHBondContact O-CD 3.2Å; R601-D660 PolarHBondContact NE-O 3.26Å; R601-D660 VanDerWaalsContact NE-O 3.1Å; R601-D660 PolarHBondContact NH2-O 2.94Å; R601-E661 IonicContact CZ-OE1 3.62Å; R601-E661 VanDerWaalsContact NH2-CD 3.25Å; R601-E661 IonicContact NH2-OE1 3.66Å; R601-E661 PolarHBondContact NH2-OE1 3.15Å; R601-E661 IonicContact NH2-OE2 3.86Å; R601-V663 HydrophobicContact CG-CG1 4.46Å |
| 602 | I | 93.3 | Very high | 82.7 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 125.4 | 172.9 | -57.7 | -178.6 | 0 | 0 | 0 | 107.6 | F329 W551 S593 A604 D660 D662 L664 | F329-I602 HydrophobicContact CE1-CG2 4.15Å; F329-I602 HydrophobicContact CE2-CG2 3.94Å; F329-I602 HydrophobicContact CZ-CG2 3.57Å; W551-I602 HydrophobicContact CB-CD1 4.47Å; W551-I602 VanDerWaalsContact CD1-CD1 3.42Å; W551-I602 HydrophobicContact CG-CD1 4.16Å; W551-I602 HydrophobicContact CG-CG2 4.46Å; S593-I602 WeakPolarHBondContact OG-CD1 3.05Å; I602-A604 HydrophobicContact CG2-CB 3.88Å; I602-A604 PolarHBondContact O-N 3.13Å; I602-D660 HydrophobicContact CB-CB 4.2Å; I602-D662 HydrophobicContact CD1-CB 3.73Å; I602-D662 HydrophobicContact CG1-CB 4.35Å; I602-D662 PolarHBondContact N-O 3.41Å; I602-D662 VanDerWaalsContact N-O 3.13Å; I602-L664 HydrophobicContact CD1-CD2 4.47Å; I602-L664 HydrophobicContact CG1-CD2 3.81Å; I602-L664 HydrophobicContact CG1-CG 3.97Å |
| 603 | P | 93.3 | Very high | 80.8 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.032 | 24% | 0.242 | C | C | . | . | trans | -78 | 52.2 | -177 | 33.1 | -36.3 | 0 | 0 | 0 | 111.8 | V326 F329 R601 I636 A637 | V326-P603 HydrophobicContact CB-CB 4.47Å; V326-P603 HydrophobicContact CG1-CB 3.96Å; V326-P603 HydrophobicContact CG1-CG 4.36Å; V326-P603 HydrophobicContact CG2-CB 4.08Å; V326-P603 HydrophobicContact CG2-CG 4.35Å; F329-P603 HydrophobicContact CB-CG 3.76Å; F329-P603 HydrophobicContact CD1-CG 3.65Å; F329-P603 HydrophobicContact CE1-CG 4.39Å; F329-P603 HydrophobicContact CG-CG 3.71Å; R601-P603 WeakPolarHBondContact O-CD 3.2Å; P603-I636 WeakPolarHBondContact O-CA 3.35Å; P603-I636 WeakPolarHBondContact O-CG2 3.27Å; P603-A637 WeakPolarHBondContact CB-O 3.49Å; P603-A637 PolarHBondContact O-N 2.98Å; P603-A637 VanDerWaalsContact O-N 3.15Å | ||
| 604 | A | 91.1 | Very high | 78.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | W551 I602 W634 V635 I636 D660 | W551-A604 HydrophobicContact CZ2-CB 3.69Å; I602-A604 HydrophobicContact CG2-CB 3.88Å; I602-A604 PolarHBondContact O-N 3.13Å; A604-W634 HydrophobicContact CB-CE3 3.91Å; A604-V635 WeakPolarHBondContact CA-O 3.26Å; A604-I636 HydrophobicContact CB-CD1 3.46Å; A604-I636 VanDerWaalsContact CB-CD1 3.46Å; A604-D660 HydrophobicContact CB-CB 4.24Å; A604-D660 PolarHBondContact O-N 3Å |
| 605 | Y | 88.5 | Confident | 76.9 | Confident | 31 Ų | 31 | 56 Ų | 56 | 12% | 0.122 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 148.8 | -176.4 | -58.5 | -96.7 | 0 | 0 | 0 | 110.1 | W634 V635 A637 D639 E640 A643 A658 A659 | Y605-W634 CarbonylContact O-C 3.53Å; Y605-W634 WeakPolarHBondContact O-CA 3.46Å; Y605-V635 PolarHBondContact N-O 2.91Å; Y605-V635 PolarHBondContact O-N 2.74Å; Y605-A637 HydrophobicContact CD2-CB 3.94Å; Y605-A637 HydrophobicContact CE2-CB 4.04Å; Y605-A637 WeakPolarHBondContact CE2-O 3.4Å; Y605-D639 WeakPolarHBondContact OH-CA 3.4Å; Y605-E640 HydrophobicContact CE1-CB 4.11Å; Y605-A643 HydrophobicContact CD1-CB 4.13Å; Y605-A643 HydrophobicContact CD2-CB 3.68Å; Y605-A643 HydrophobicContact CE2-CB 4.42Å; Y605-A643 HydrophobicContact CG-CB 3.52Å; Y605-A658 CarbonylContact C-O 3.49Å; Y605-A658 WeakPolarHBondContact CA-O 3.42Å; Y605-A659 HydrophobicContact CD1-CB 3.87Å; Y605-A659 HydrophobicContact CE1-CB 3.78Å |
| 606 | R | 82.8 | Confident | 75 | Confident | 119 Ų | 119 | 59.2 Ų | 59.2 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 156.6 | 172.2 | 64.8 | 176.2 | 180 | -177.9 | 2.1 | 110.2 | K608 W634 L657 A658 | R606-K608 PolarHBondContact O-N 3.5Å; R606-W634 HydrophobicContact CB-CD2 4.13Å; R606-W634 HydrophobicContact CB-CE3 3.84Å; R606-W634 HydrophobicContact CB-CZ3 4.05Å; R606-W634 HydrophobicContact CG-CD2 4.47Å; R606-W634 HydrophobicContact CG-CE3 4.05Å; R606-W634 HydrophobicContact CG-CH2 3.84Å; R606-W634 HydrophobicContact CG-CZ2 4.25Å; R606-W634 HydrophobicContact CG-CZ3 3.72Å; R606-L657 CarbonylContact O-C 3.59Å; R606-L657 WeakPolarHBondContact O-CA 3.48Å; R606-A658 HydrophobicContact CG-CB 4.13Å; R606-A658 PolarHBondContact N-O 2.8Å; R606-A658 PolarHBondContact O-N 3.26Å |
| 607 | Q | 74 | Confident | 73 | Confident | 52 Ų | 52 | 63 Ų | 63 | 24% | 0.243 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 126.5 | 170.3 | -171.2 | 173.3 | 23.2 | 0 | 0 | 110.2 | L609 I655 N656 | Q607-L609 PolarHBondContact O-N 2.87Å; Q607-I655 HydrophobicContact CB-CG2 4.24Å; Q607-I655 HydrophobicContact CG-CG2 3.85Å; Q607-N656 CarbonylContact C-O 3.56Å |
| 608 | K | 68.4 | Low | 71 | Confident | 103 Ų | 103 | 68 Ų | 68 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -67 | 119.3 | 165.1 | -77.1 | 176.8 | -177.3 | 147.7 | 0 | 107.8 | R606 N656 L657 A658 | R606-K608 PolarHBondContact O-N 3.5Å; K608-N656 HydrophobicContact CB-CB 4.17Å; K608-N656 WeakPolarHBondContact CB-O 3.33Å; K608-N656 WeakPolarHBondContact CD-OD1 3.31Å; K608-N656 PolarHBondContact N-O 3.48Å; K608-L657 WeakPolarHBondContact CD-O 3.36Å; K608-L657 WeakPolarHBondContact CE-O 3.34Å; K608-L657 PolarHBondContact NZ-O 3.42Å; K608-A658 HydrophobicContact CD-CB 4.24Å; K608-A658 HydrophobicContact CG-CB 3.56Å |
| 609 | L | 63.4 | Low | 68.9 | Low | 60 Ų | 60 | 70.2 Ų | 70.2 | 31% | 0.314 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -86.7 | 119.6 | 174.3 | -71.7 | 154.7 | 0 | 0 | 0 | 108.7 | Q607 S614 F617 | Q607-L609 PolarHBondContact O-N 2.87Å; L609-S614 PolarHBondContact O-OG 3.31Å; L609-F617 HydrophobicContact CD1-CB 4.17Å; L609-F617 HydrophobicContact CD1-CD1 4.15Å; L609-F617 HydrophobicContact CD1-CD2 4.22Å; L609-F617 HydrophobicContact CD1-CG 3.92Å |
| 610 | D | 59.8 | Low | 66.5 | Low | 111 Ų | 111 | 76.8 Ų | 76.8 | 59% | 0.594 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 152.8 | 170.3 | -70.9 | -21 | 0 | 0 | 0 | 111.7 | V612 S613 S614 | D610-V612 PolarHBondContact O-N 3.31Å; D610-S613 CarbonylContact O-C 3.59Å; D610-S613 VanDerWaalsContact O-CA 3.28Å; D610-S613 WeakPolarHBondContact O-CA 3.26Å; D610-S613 VanDerWaalsContact O-CB 3.22Å; D610-S613 WeakPolarHBondContact O-CB 3.28Å; D610-S613 PolarHBondContact O-N 2.86Å; D610-S614 VanDerWaalsContact C-OG 3.24Å; D610-S614 PolarHBondContact O-N 3.27Å; D610-S614 PolarHBondContact O-OG 3.08Å |
| 611 | L | 53.3 | Low | 64.2 | Low | 142 Ų | 142 | 78.7 Ų | 78.7 | 74% | 0.743 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -46.6 | -41.8 | -169.7 | -153.9 | 85.5 | 0 | 0 | 0 | 114.2 | S614 L615 | L611-S614 WeakPolarHBondContact CA-OG 3.37Å; L611-S614 PolarHBondContact N-OG 3.41Å; L611-S614 PolarHBondContact O-N 3.03Å; L611-S614 PolarHBondContact O-OG 3Å; L611-L615 WeakPolarHBondContact O-CB 3.26Å; L611-L615 PolarHBondContact O-N 2.85Å |
| 612 | V | 53.4 | Low | 61.9 | Low | 105 Ų | 105 | 84 Ų | 84 | 64% | 0.636 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -68.5 | -43 | 177.9 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | D610 S614 L615 L616 | D610-V612 PolarHBondContact O-N 3.31Å; V612-S614 VanDerWaalsContact C-N 3.34Å; V612-L615 PolarHBondContact O-N 2.87Å; V612-L616 HydrophobicContact CG1-CD1 4.33Å; V612-L616 PolarHBondContact O-N 3.11Å |
| 613 | S | 51.4 | Low | 59.2 | Low | 51 Ų | 51 | 92.6 Ų | 92.6 | 36% | 0.357 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.8 | -35 | 174.3 | -47.5 | 0 | 0 | 0 | 0 | 111.5 | D610 F617 | D610-S613 CarbonylContact O-C 3.59Å; D610-S613 VanDerWaalsContact O-CA 3.28Å; D610-S613 WeakPolarHBondContact O-CA 3.26Å; D610-S613 VanDerWaalsContact O-CB 3.22Å; D610-S613 WeakPolarHBondContact O-CB 3.28Å; D610-S613 PolarHBondContact O-N 2.86Å; S613-F617 WeakPolarHBondContact O-CB 3.47Å; S613-F617 PolarHBondContact O-N 3.43Å |
| 614 | S | 50.1 | Low | 56.3 | Low | 29 Ų | 29 | 102 Ų | 102 | 20% | 0.203 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 172.8 | -8 | 0 | 0 | 0 | 0 | 110.5 | L609 D610 L611 V612 F617 Y618 | L609-S614 PolarHBondContact O-OG 3.31Å; D610-S614 VanDerWaalsContact C-OG 3.24Å; D610-S614 PolarHBondContact O-N 3.27Å; D610-S614 PolarHBondContact O-OG 3.08Å; L611-S614 WeakPolarHBondContact CA-OG 3.37Å; L611-S614 PolarHBondContact N-OG 3.41Å; L611-S614 PolarHBondContact O-N 3.03Å; L611-S614 PolarHBondContact O-OG 3Å; V612-S614 VanDerWaalsContact C-N 3.34Å; S614-F617 PolarHBondContact O-N 2.93Å; S614-Y618 WeakPolarHBondContact O-CB 3.35Å; S614-Y618 VanDerWaalsContact O-CD2 3.3Å; S614-Y618 WeakPolarHBondContact O-CD2 3.5Å; S614-Y618 PolarHBondContact O-N 3.19Å |
| 615 | L | 52.1 | Low | 53.7 | Low | 118 Ų | 118 | 106.6 Ų | 106.6 | 62% | 0.618 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.6 | -46.5 | 175.1 | -89.6 | 155.5 | 0 | 0 | 0 | 112.4 | L611 V612 F617 Y618 A619 | L611-L615 WeakPolarHBondContact O-CB 3.26Å; L611-L615 PolarHBondContact O-N 2.85Å; V612-L615 PolarHBondContact O-N 2.87Å; L615-F617 VanDerWaalsContact C-N 3.32Å; L615-F617 PolarHBondContact O-N 3.33Å; L615-Y618 PolarHBondContact O-N 3.25Å; L615-A619 WeakPolarHBondContact O-CB 3.44Å; L615-A619 PolarHBondContact O-N 3.4Å |
| 616 | L | 49 | Very low | 51.1 | Low | 105 Ų | 105 | 110.9 Ų | 110.9 | 55% | 0.55 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.9 | -35.5 | 174.3 | -86.4 | 160.9 | 0 | 0 | 0 | 112.4 | V612 K620 | V612-L616 HydrophobicContact CG1-CD1 4.33Å; V612-L616 PolarHBondContact O-N 3.11Å; L616-K620 WeakPolarHBondContact O-CB 3.41Å; L616-K620 PolarHBondContact O-N 2.96Å |
| 617 | F | 47.1 | Very low | 48.5 | Very low | 82 Ų | 82 | 113.9 Ų | 113.9 | 36% | 0.36 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.6 | -43.6 | 175.1 | -177.6 | -97.6 | 0 | 0 | 0 | 111.2 | L609 S613 S614 L615 K620 S621 R633 | L609-F617 HydrophobicContact CD1-CB 4.17Å; L609-F617 HydrophobicContact CD1-CD1 4.15Å; L609-F617 HydrophobicContact CD1-CD2 4.22Å; L609-F617 HydrophobicContact CD1-CG 3.92Å; S613-F617 WeakPolarHBondContact O-CB 3.47Å; S613-F617 PolarHBondContact O-N 3.43Å; S614-F617 PolarHBondContact O-N 2.93Å; L615-F617 VanDerWaalsContact C-N 3.32Å; L615-F617 PolarHBondContact O-N 3.33Å; F617-K620 PolarHBondContact O-N 3.28Å; F617-S621 WeakPolarHBondContact O-CB 3.37Å; F617-S621 PolarHBondContact O-N 2.75Å; F617-S621 PolarHBondContact O-OG 2.84Å; F617-R633 VanDerWaalsContact CE2-CZ 3.43Å |
| 618 | Y | 48.6 | Very low | 46.5 | Very low | 177 Ų | 177 | 117.4 Ų | 117.4 | 69% | 0.694 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.5 | -43.6 | 172.3 | -93.9 | -77.3 | 0 | 0 | 0 | 111.2 | S614 L615 K620 S621 Y622 | S614-Y618 WeakPolarHBondContact O-CB 3.35Å; S614-Y618 VanDerWaalsContact O-CD2 3.3Å; S614-Y618 WeakPolarHBondContact O-CD2 3.5Å; S614-Y618 PolarHBondContact O-N 3.19Å; L615-Y618 PolarHBondContact O-N 3.25Å; Y618-K620 PolarHBondContact O-N 2.84Å; Y618-S621 WeakPolarHBondContact CA-OG 3.41Å; Y618-S621 PolarHBondContact O-N 2.62Å; Y618-S621 PolarHBondContact O-OG 2.92Å; Y618-Y622 WeakPolarHBondContact O-CB 3.48Å; Y618-Y622 PolarHBondContact O-N 2.84Å |
| 619 | A | 47.8 | Very low | 44.8 | Very low | 58 Ų | 58 | 118.9 Ų | 118.9 | 48% | 0.479 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.1 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L615 | L615-A619 WeakPolarHBondContact O-CB 3.44Å; L615-A619 PolarHBondContact O-N 3.4Å |
| 620 | K | 43.3 | Very low | 43.4 | Very low | 151 Ų | 151 | 119.7 Ų | 119.7 | 66% | 0.657 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -76.6 | -34.6 | 177 | -87 | -179.9 | 173.1 | 175.3 | 0 | 113.7 | L616 F617 Y618 Y622 F623 R624 | L616-K620 WeakPolarHBondContact O-CB 3.41Å; L616-K620 PolarHBondContact O-N 2.96Å; F617-K620 PolarHBondContact O-N 3.28Å; Y618-K620 PolarHBondContact O-N 2.84Å; K620-Y622 VanDerWaalsContact C-N 3.34Å; K620-F623 PolarHBondContact O-N 3.45Å; K620-R624 PolarHBondContact O-N 2.89Å; K620-R624 VanDerWaalsContact O-N 3.12Å |
| 621 | S | 46.8 | Very low | 42.6 | Very low | 52 Ų | 52 | 118.9 Ų | 118.9 | 36% | 0.364 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -72.3 | -30 | 176.7 | 41.9 | 0 | 0 | 0 | 0 | 111.6 | F617 Y618 F623 R624 | F617-S621 WeakPolarHBondContact O-CB 3.37Å; F617-S621 PolarHBondContact O-N 2.75Å; F617-S621 PolarHBondContact O-OG 2.84Å; Y618-S621 WeakPolarHBondContact CA-OG 3.41Å; Y618-S621 PolarHBondContact O-N 2.62Å; Y618-S621 PolarHBondContact O-OG 2.92Å; S621-F623 VanDerWaalsContact C-N 3.28Å; S621-F623 PolarHBondContact O-N 3.35Å; S621-R624 PolarHBondContact O-N 3.43Å |
| 622 | Y | 43.1 | Very low | 42.5 | Very low | 210 Ų | 210 | 114.6 Ų | 114.6 | 82% | 0.824 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61.9 | -33.7 | 168.7 | -154.4 | -93.5 | 0 | 0 | 0 | 112.8 | Y618 K620 | Y618-Y622 WeakPolarHBondContact O-CB 3.48Å; Y618-Y622 PolarHBondContact O-N 2.84Å; K620-Y622 VanDerWaalsContact C-N 3.34Å |
| 623 | F | 36.8 | Very low | 43.2 | Very low | 183 Ų | 183 | 116.2 Ų | 116.2 | 80% | 0.803 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -87.1 | -16.3 | 178.4 | -102.3 | -82.2 | 0 | 0 | 0 | 115.2 | K620 S621 | K620-F623 PolarHBondContact O-N 3.45Å; S621-F623 VanDerWaalsContact C-N 3.28Å; S621-F623 PolarHBondContact O-N 3.35Å |
| 624 | R | 31.1 | Very low | 44.7 | Very low | 204 Ų | 204 | 115 Ų | 115 | 77% | 0.77 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -101.3 | 2.6 | -174.5 | -107.8 | -177.3 | 177.5 | -178.5 | -2.6 | 115.3 | K620 S621 T626 F627 | K620-R624 PolarHBondContact O-N 2.89Å; K620-R624 VanDerWaalsContact O-N 3.12Å; S621-R624 PolarHBondContact O-N 3.43Å; R624-T626 PolarHBondContact O-N 3.01Å; R624-F627 PolarHBondContact O-N 2.87Å |
| 625 | A | 37.1 | Very low | 46.4 | Very low | 96 Ų | 96 | 114.8 Ų | 114.8 | 79% | 0.793 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -1.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 626 | T | 33 | Very low | 48.2 | Very low | 121 Ų | 121 | 109.7 Ų | 109.7 | 74% | 0.742 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 2.2 | 177.8 | 18.3 | 0 | 0 | 0 | 0 | 116.2 | R624 | R624-T626 PolarHBondContact O-N 3.01Š|
| 627 | F | 28.3 | Very low | 50.1 | Low | 181 Ų | 181 | 104.7 Ų | 104.7 | 79% | 0.794 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -135.1 | 119.8 | 173.3 | -77.2 | -85.4 | 0 | 0 | 0 | 112.8 | R624 D629 | R624-F627 PolarHBondContact O-N 2.87Å; F627-D629 PolarHBondContact O-N 3.48Å |
| 628 | S | 32.5 | Very low | 51.9 | Low | 127 Ų | 127 | 102.9 Ų | 102.9 | 89% | 0.888 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -66.2 | 84.4 | 175.7 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 629 | D | 32.7 | Very low | 53.7 | Low | 134 Ų | 134 | 98.2 Ų | 98.2 | 72% | 0.717 | 54% | 0.536 | S | S | * | . | trans | -155.4 | 39 | 152.6 | -159.8 | 4.2 | 0 | 0 | 0 | 111.5 | F627 S631 | F627-D629 PolarHBondContact O-N 3.48Å; D629-S631 PolarHBondContact O-N 3.26Å | ||
| 630 | G | 34.7 | Very low | 55.3 | Low | 77 Ų | 77 | 100.7 Ų | 100.7 | 79% | 0.794 | 54% | 0.537 | S | S | * | . | trans | -75.9 | 52.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S632 | G630-S632 PolarHBondContact O-N 3.17Š| ||
| 631 | S | 41.7 | Very low | 57.3 | Low | 93 Ų | 93 | 100.6 Ų | 100.6 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | trans | -51.4 | 110.7 | 167.9 | 46.9 | 0 | 0 | 0 | 0 | 107.8 | D629 R633 | D629-S631 PolarHBondContact O-N 3.26Å; S631-R633 PolarHBondContact O-N 2.76Å | ||
| 632 | S | 50.9 | Low | 59.1 | Low | 53 Ų | 53 | 100.1 Ų | 100.1 | 37% | 0.371 | 53% | 0.531 | S | S | . | . | trans | -54.3 | 128.7 | -174.8 | 64.4 | 0 | 0 | 0 | 0 | 108.9 | G630 W634 | G630-S632 PolarHBondContact O-N 3.17Å; S632-W634 PolarHBondContact O-N 3.18Å | ||
| 633 | R | 68.2 | Low | 61.1 | Low | 138 Ų | 138 | 90.1 Ų | 90.1 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | trans | -63.4 | 23.4 | -177.3 | -67 | 178.5 | 173.7 | 173.5 | -4.1 | 115 | F617 S631 | F617-R633 VanDerWaalsContact CE2-CZ 3.43Å; S631-R633 PolarHBondContact O-N 2.76Å | ||
| 634 | W | 83.7 | Confident | 63.2 | Low | 27 Ų | 27 | 81.9 Ų | 81.9 | 10% | 0.102 | 46% | 0.459 | C | S | . | . | trans | -80.3 | 131.4 | 175.7 | -66.7 | 105.9 | 0 | 0 | 0 | 109.8 | R340 W551 A604 Y605 R606 S632 D660 | R340-W634 VanDerWaalsContact NH1-NE1 3.11Å; W551-W634 HydrophobicContact CH2-CB 4.12Å; W551-W634 HydrophobicContact CZ2-CB 3.94Å; W551-W634 HydrophobicContact CZ2-CG 4.02Å; A604-W634 HydrophobicContact CB-CE3 3.91Å; Y605-W634 CarbonylContact O-C 3.53Å; Y605-W634 WeakPolarHBondContact O-CA 3.46Å; R606-W634 HydrophobicContact CB-CD2 4.13Å; R606-W634 HydrophobicContact CB-CE3 3.84Å; R606-W634 HydrophobicContact CB-CZ3 4.05Å; R606-W634 HydrophobicContact CG-CD2 4.47Å; R606-W634 HydrophobicContact CG-CE3 4.05Å; R606-W634 HydrophobicContact CG-CH2 3.84Å; R606-W634 HydrophobicContact CG-CZ2 4.25Å; R606-W634 HydrophobicContact CG-CZ3 3.72Å; S632-W634 PolarHBondContact O-N 3.18Å; W634-D660 HydrophobicContact CH2-CB 4Å; W634-D660 HydrophobicContact CZ3-CB 3.76Å | ||
| 635 | V | 86.2 | Confident | 65.5 | Low | 23 Ų | 23 | 74.4 Ų | 74.4 | 14% | 0.139 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.3 | 176.8 | 176.7 | 0 | 0 | 0 | 0 | 107.5 | A604 Y605 Q646 L647 | A604-V635 WeakPolarHBondContact CA-O 3.26Å; Y605-V635 PolarHBondContact N-O 2.91Å; Y605-V635 PolarHBondContact O-N 2.74Å; V635-Q646 HydrophobicContact CG1-CB 3.66Å; V635-Q646 HydrophobicContact CG1-CG 4.24Å; V635-L647 HydrophobicContact CB-CG 4.48Å; V635-L647 HydrophobicContact CG2-CD1 4.2Å; V635-L647 HydrophobicContact CG2-CD2 3.6Å; V635-L647 HydrophobicContact CG2-CG 3.77Å |
| 636 | I | 89.7 | Confident | 67.5 | Low | 12 Ų | 12 | 72.6 Ų | 72.6 | 6% | 0.062 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 120.3 | 177.4 | -52.9 | -46.7 | 0 | 0 | 0 | 108.5 | F329 R330 H333 W551 P603 A604 Q646 | F329-I636 HydrophobicContact CD1-CD1 4.4Å; F329-I636 HydrophobicContact CD1-CG2 3.68Å; F329-I636 HydrophobicContact CE1-CD1 3.67Å; F329-I636 HydrophobicContact CE1-CG1 4.11Å; F329-I636 HydrophobicContact CE1-CG2 4.08Å; R330-I636 HydrophobicContact CB-CG2 4.49Å; R330-I636 HydrophobicContact CG-CG2 3.75Å; H333-I636 HydrophobicContact CB-CG1 4.12Å; W551-I636 HydrophobicContact CH2-CD1 3.73Å; W551-I636 HydrophobicContact CZ2-CD1 4.1Å; W551-I636 HydrophobicContact CZ3-CD1 4.41Å; P603-I636 WeakPolarHBondContact O-CA 3.35Å; P603-I636 WeakPolarHBondContact O-CG2 3.27Å; A604-I636 HydrophobicContact CB-CD1 3.46Å; A604-I636 VanDerWaalsContact CB-CD1 3.46Å; I636-Q646 PolarHBondContact O-NE2 3.18Å |
| 637 | A | 88.5 | Confident | 69.4 | Low | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | trans | -146.8 | 157.5 | -174 | 0 | 0 | 0 | 0 | 0 | 110.7 | P603 Y605 D639 E642 A643 | P603-A637 WeakPolarHBondContact CB-O 3.49Å; P603-A637 PolarHBondContact O-N 2.98Å; P603-A637 VanDerWaalsContact O-N 3.15Å; Y605-A637 HydrophobicContact CD2-CB 3.94Å; Y605-A637 HydrophobicContact CE2-CB 4.04Å; Y605-A637 WeakPolarHBondContact CE2-O 3.4Å; A637-D639 VanDerWaalsContact C-N 3.34Å; A637-E642 HydrophobicContact CB-CB 4.02Å; A637-E642 HydrophobicContact CB-CG 3.98Å; A637-A643 HydrophobicContact CB-CB 3.72Å | ||
| 638 | A | 85.9 | Confident | 71.5 | Confident | 43 Ų | 43 | 64.9 Ų | 64.9 | 36% | 0.355 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -68.1 | -38.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V326 E642 | V326-A638 HydrophobicContact CG1-CB 4.13Å; A638-E642 WeakPolarHBondContact CB-OE2 3.27Å; A638-E642 PolarHBondContact N-OE2 3.42Å |
| 639 | D | 85.7 | Confident | 72.9 | Confident | 79 Ų | 79 | 69 Ų | 69 | 42% | 0.422 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -148.2 | 175.6 | -177.7 | 56 | 46.2 | 0 | 0 | 0 | 110.6 | Y605 A637 H641 E642 A643 | Y605-D639 WeakPolarHBondContact OH-CA 3.4Å; A637-D639 VanDerWaalsContact C-N 3.34Å; D639-H641 PolarHBondContact O-N 3.45Å; D639-H641 WeakPolarHBondContact OD1-CA 3.32Å; D639-H641 WeakPolarHBondContact OD1-CB 3.49Å; D639-H641 PolarHBondContact OD1-N 2.99Å; D639-H641 VanDerWaalsContact OD1-N 3.08Å; D639-E642 PolarHBondContact O-N 3.23Å; D639-E642 PolarHBondContact OD1-N 2.59Å; D639-A643 PolarHBondContact O-N 3.33Å |
| 640 | E | 82.3 | Confident | 74 | Confident | 110 Ų | 110 | 70.2 Ų | 70.2 | 51% | 0.514 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.5 | -28.7 | -179.6 | -168.5 | 168.6 | -169.8 | 0 | 0 | 112.6 | Y605 A643 G644 L657 | Y605-E640 HydrophobicContact CE1-CB 4.11Å; E640-A643 PolarHBondContact O-N 2.94Å; E640-G644 PolarHBondContact O-N 3.18Å; E640-L657 HydrophobicContact CG-CB 4.06Å; E640-L657 HydrophobicContact CG-CD1 3.63Å; E640-L657 HydrophobicContact CG-CG 4.45Å; E640-L657 VanDerWaalsContact O-CD1 3.25Å; E640-L657 WeakPolarHBondContact O-CD1 3.42Å |
| 641 | H | 83.7 | Confident | 74.9 | Confident | 149 Ų | 149 | 68.5 Ų | 68.5 | 69% | 0.69 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -71.8 | -44.9 | 178.9 | 177.7 | -83.6 | 0 | 0 | 0 | 111.7 | D639 A643 G644 S645 | D639-H641 PolarHBondContact O-N 3.45Å; D639-H641 WeakPolarHBondContact OD1-CA 3.32Å; D639-H641 WeakPolarHBondContact OD1-CB 3.49Å; D639-H641 PolarHBondContact OD1-N 2.99Å; D639-H641 VanDerWaalsContact OD1-N 3.08Å; H641-A643 VanDerWaalsContact C-N 3.34Å; H641-G644 PolarHBondContact O-N 3.29Å; H641-S645 PolarHBondContact O-N 3.48Å; H641-S645 PolarHBondContact O-OG 3.09Å |
| 642 | E | 85.6 | Confident | 75.4 | Confident | 43 Ų | 43 | 73.8 Ų | 73.8 | 20% | 0.201 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 172.5 | -178.1 | -174.8 | 178.3 | 0 | 0 | 110.9 | R330 A637 A638 D639 G644 S645 Q646 | R330-E642 IonicContact CZ-OE1 3.06Å; R330-E642 IonicContact CZ-OE2 3.16Å; R330-E642 VanDerWaalsContact NH1-CD 3.28Å; R330-E642 IonicContact NH1-OE1 3.99Å; R330-E642 PolarHBondContact NH1-OE1 3.09Å; R330-E642 IonicContact NH1-OE2 2.68Å; R330-E642 PolarHBondContact NH1-OE2 3.02Å; R330-E642 IonicContact NH2-OE1 3.45Å; R330-E642 PolarHBondContact NH2-OE1 3.17Å; R330-E642 IonicContact NH2-OE2 2.66Å; A637-E642 HydrophobicContact CB-CB 4.02Å; A637-E642 HydrophobicContact CB-CG 3.98Å; A638-E642 WeakPolarHBondContact CB-OE2 3.27Å; A638-E642 PolarHBondContact N-OE2 3.42Å; D639-E642 PolarHBondContact O-N 3.23Å; D639-E642 PolarHBondContact OD1-N 2.59Å; E642-G644 VanDerWaalsContact C-N 3.33Å; E642-G644 PolarHBondContact O-N 2.98Å; E642-S645 PolarHBondContact O-N 2.86Å; E642-Q646 HydrophobicContact CG-CG 4.5Å; E642-Q646 WeakPolarHBondContact O-CG 3.43Å; E642-Q646 PolarHBondContact O-N 3.11Å; E642-Q646 PolarHBondContact OE1-NE2 2.82Å; E642-Q646 VanDerWaalsContact OE1-NE2 3.09Å |
| 643 | A | 84.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y605 A637 D639 E640 H641 Q646 L647 L657 | Y605-A643 HydrophobicContact CD1-CB 4.13Å; Y605-A643 HydrophobicContact CD2-CB 3.68Å; Y605-A643 HydrophobicContact CE2-CB 4.42Å; Y605-A643 HydrophobicContact CG-CB 3.52Å; A637-A643 HydrophobicContact CB-CB 3.72Å; D639-A643 PolarHBondContact O-N 3.33Å; E640-A643 PolarHBondContact O-N 2.94Å; H641-A643 VanDerWaalsContact C-N 3.34Å; A643-Q646 PolarHBondContact O-N 3.42Å; A643-L647 WeakPolarHBondContact O-CG 3.35Å; A643-L647 PolarHBondContact O-N 3.03Å; A643-L657 HydrophobicContact CB-CD1 3.93Å |
| 644 | G | 80.9 | Confident | 75.1 | Confident | 10 Ų | 10 | 76.1 Ų | 76.1 | 10% | 0.103 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.3 | -49.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E640 H641 E642 Q646 L647 E648 | E640-G644 PolarHBondContact O-N 3.18Å; H641-G644 PolarHBondContact O-N 3.29Å; E642-G644 VanDerWaalsContact C-N 3.33Å; E642-G644 PolarHBondContact O-N 2.98Å; G644-Q646 VanDerWaalsContact C-N 3.32Å; G644-Q646 PolarHBondContact O-N 2.97Å; G644-L647 CarbonylContact O-C 3.48Å; G644-L647 PolarHBondContact O-N 2.61Å; G644-L647 VanDerWaalsContact O-N 3.08Å; G644-E648 WeakPolarHBondContact O-CB 3.47Å; G644-E648 WeakPolarHBondContact O-CG 3.28Å; G644-E648 PolarHBondContact O-N 3.34Å |
| 645 | S | 80.4 | Confident | 74.1 | Confident | 46 Ų | 46 | 76.1 Ų | 76.1 | 32% | 0.322 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.7 | -39 | 178.3 | -59.4 | 0 | 0 | 0 | 0 | 113.2 | H641 E642 | H641-S645 PolarHBondContact O-N 3.48Å; H641-S645 PolarHBondContact O-OG 3.09Å; E642-S645 PolarHBondContact O-N 2.86Å |
| 646 | Q | 77.8 | Confident | 73.6 | Confident | 58 Ų | 58 | 79 Ų | 79 | 27% | 0.271 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.7 | -33.1 | 176.8 | -72.3 | -172.8 | 41.1 | 0 | 0 | 112.1 | V635 I636 E642 A643 G644 H650 | V635-Q646 HydrophobicContact CG1-CB 3.66Å; V635-Q646 HydrophobicContact CG1-CG 4.24Å; I636-Q646 PolarHBondContact O-NE2 3.18Å; E642-Q646 HydrophobicContact CG-CG 4.5Å; E642-Q646 WeakPolarHBondContact O-CG 3.43Å; E642-Q646 PolarHBondContact O-N 3.11Å; E642-Q646 PolarHBondContact OE1-NE2 2.82Å; E642-Q646 VanDerWaalsContact OE1-NE2 3.09Å; A643-Q646 PolarHBondContact O-N 3.42Å; G644-Q646 VanDerWaalsContact C-N 3.32Å; G644-Q646 PolarHBondContact O-N 2.97Å; Q646-H650 PolarHBondContact O-ND1 2.73Å |
| 647 | L | 74.4 | Confident | 73.2 | Confident | 22 Ų | 22 | 78.8 Ų | 78.8 | 12% | 0.115 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -82.8 | -31.8 | 178.3 | -74.7 | 165.3 | 0 | 0 | 0 | 113.3 | V635 A643 G644 R649 H650 S651 I655 L657 | V635-L647 HydrophobicContact CB-CG 4.48Å; V635-L647 HydrophobicContact CG2-CD1 4.2Å; V635-L647 HydrophobicContact CG2-CD2 3.6Å; V635-L647 HydrophobicContact CG2-CG 3.77Å; A643-L647 WeakPolarHBondContact O-CG 3.35Å; A643-L647 PolarHBondContact O-N 3.03Å; G644-L647 CarbonylContact O-C 3.48Å; G644-L647 PolarHBondContact O-N 2.61Å; G644-L647 VanDerWaalsContact O-N 3.08Å; L647-R649 PolarHBondContact O-N 3.09Å; L647-H650 CarbonylContact O-C 3.53Å; L647-H650 WeakPolarHBondContact O-CA 3.5Å; L647-H650 WeakPolarHBondContact O-CB 3.27Å; L647-H650 PolarHBondContact O-N 3.46Å; L647-S651 PolarHBondContact O-N 2.8Å; L647-I655 HydrophobicContact CB-CD1 3.56Å; L647-I655 HydrophobicContact CB-CG2 4.27Å; L647-I655 HydrophobicContact CD1-CG2 4.25Å; L647-L657 HydrophobicContact CD1-CD2 3.24Å |
| 648 | E | 70.8 | Confident | 72.9 | Confident | 118 Ų | 118 | 79.6 Ų | 79.6 | 55% | 0.551 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.8 | -33.5 | 174.9 | -79.9 | -179.5 | 178.8 | 0 | 0 | 112 | G644 H650 S651 I655 | G644-E648 WeakPolarHBondContact O-CB 3.47Å; G644-E648 WeakPolarHBondContact O-CG 3.28Å; G644-E648 PolarHBondContact O-N 3.34Å; E648-H650 PolarHBondContact O-N 3.25Å; E648-S651 PolarHBondContact O-N 3.12Å; E648-I655 HydrophobicContact CB-CD1 4.3Å; E648-I655 HydrophobicContact CG-CD1 3.71Å; E648-I655 HydrophobicContact CG-CG1 4.29Å; E648-I655 VanDerWaalsContact N-CD1 3.33Å |
| 649 | R | 62.5 | Low | 72.9 | Confident | 213 Ų | 213 | 78.7 Ų | 78.7 | 80% | 0.804 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -16.2 | 170.2 | -71.2 | -179.3 | -174.2 | 167.3 | 3.4 | 113.5 | L647 | L647-R649 PolarHBondContact O-N 3.09Š|
| 650 | H | 56.8 | Low | 73 | Confident | 160 Ų | 160 | 75.3 Ų | 75.3 | 74% | 0.741 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | -10 | -178.9 | -60.8 | 89.4 | 0 | 0 | 0 | 113.6 | Q646 L647 E648 | Q646-H650 PolarHBondContact O-ND1 2.73Å; L647-H650 CarbonylContact O-C 3.53Å; L647-H650 WeakPolarHBondContact O-CA 3.5Å; L647-H650 WeakPolarHBondContact O-CB 3.27Å; L647-H650 PolarHBondContact O-N 3.46Å; E648-H650 PolarHBondContact O-N 3.25Å |
| 651 | S | 51.9 | Low | 73.3 | Confident | 41 Ų | 41 | 75.3 Ų | 75.3 | 29% | 0.287 | 38% | 0.377 | S | S | . | . | trans | -156.6 | 127.8 | -176.1 | -149.9 | 0 | 0 | 0 | 0 | 113.6 | L647 E648 S653 | L647-S651 PolarHBondContact O-N 2.8Å; E648-S651 PolarHBondContact O-N 3.12Å; S651-S653 VanDerWaalsContact C-N 3.31Å; S651-S653 PolarHBondContact O-N 3.44Å | ||
| 652 | H | 54.2 | Low | 73.7 | Confident | 205 Ų | 205 | 69.1 Ų | 69.1 | 95% | 0.949 | 35% | 0.349 | S | S | * | . | trans | -85.7 | 31.2 | -177.1 | -66.1 | -71.7 | 0 | 0 | 0 | 114.8 | ||||
| 653 | S | 56.1 | Low | 74 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 42% | 0.42 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -124.6 | 157.2 | -177 | 57.9 | 0 | 0 | 0 | 0 | 111.7 | S651 I655 | S651-S653 VanDerWaalsContact C-N 3.31Å; S651-S653 PolarHBondContact O-N 3.44Å; S653-I655 WeakPolarHBondContact O-CG1 3.33Å; S653-I655 PolarHBondContact O-N 2.93Å |
| 654 | L | 55.4 | Low | 74.5 | Confident | 180 Ų | 180 | 67.4 Ų | 67.4 | 94% | 0.942 | 34% | 0.341 | S | S | * | . | trans | -54.7 | 106 | 172.1 | -96 | 141.2 | 0 | 0 | 0 | 109.6 | N656 | L654-N656 PolarHBondContact O-N 3.43Š| ||
| 655 | I | 63.6 | Low | 75 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 14% | 0.138 | 34% | 0.338 | C | S | . | . | trans | -86.2 | 100 | -172 | -48.4 | -168.1 | 0 | 0 | 0 | 109 | Q607 L647 E648 S653 L657 | Q607-I655 HydrophobicContact CB-CG2 4.24Å; Q607-I655 HydrophobicContact CG-CG2 3.85Å; L647-I655 HydrophobicContact CB-CD1 3.56Å; L647-I655 HydrophobicContact CB-CG2 4.27Å; L647-I655 HydrophobicContact CD1-CG2 4.25Å; E648-I655 HydrophobicContact CB-CD1 4.3Å; E648-I655 HydrophobicContact CG-CD1 3.71Å; E648-I655 HydrophobicContact CG-CG1 4.29Å; E648-I655 VanDerWaalsContact N-CD1 3.33Å; S653-I655 WeakPolarHBondContact O-CG1 3.33Å; S653-I655 PolarHBondContact O-N 2.93Å; I655-L657 HydrophobicContact CG2-CD2 3.49Å; I655-L657 VanDerWaalsContact CG2-CD2 3.49Å; I655-L657 HydrophobicContact CG2-CG 4.06Å; I655-L657 PolarHBondContact O-N 3.06Å | ||
| 656 | N | 75.5 | Confident | 75.5 | Confident | 83 Ų | 83 | 65.6 Ų | 65.6 | 44% | 0.444 | 33% | 0.326 | S | S | . | . | trans | -73.4 | 121.4 | 167.4 | -169.2 | 4.4 | 0 | 0 | 0 | 108.8 | Q607 K608 L654 | Q607-N656 CarbonylContact C-O 3.56Å; K608-N656 HydrophobicContact CB-CB 4.17Å; K608-N656 WeakPolarHBondContact CB-O 3.33Å; K608-N656 WeakPolarHBondContact CD-OD1 3.31Å; K608-N656 PolarHBondContact N-O 3.48Å; L654-N656 PolarHBondContact O-N 3.43Å | ||
| 657 | L | 81.7 | Confident | 76.2 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 4% | 0.037 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 151.3 | -175.4 | -64.2 | 173.3 | 0 | 0 | 0 | 112.5 | R606 K608 E640 A643 L647 I655 | R606-L657 CarbonylContact O-C 3.59Å; R606-L657 WeakPolarHBondContact O-CA 3.48Å; K608-L657 WeakPolarHBondContact CD-O 3.36Å; K608-L657 WeakPolarHBondContact CE-O 3.34Å; K608-L657 PolarHBondContact NZ-O 3.42Å; E640-L657 HydrophobicContact CG-CB 4.06Å; E640-L657 HydrophobicContact CG-CD1 3.63Å; E640-L657 HydrophobicContact CG-CG 4.45Å; E640-L657 VanDerWaalsContact O-CD1 3.25Å; E640-L657 WeakPolarHBondContact O-CD1 3.42Å; A643-L657 HydrophobicContact CB-CD1 3.93Å; L647-L657 HydrophobicContact CD1-CD2 3.24Å; I655-L657 HydrophobicContact CG2-CD2 3.49Å; I655-L657 VanDerWaalsContact CG2-CD2 3.49Å; I655-L657 HydrophobicContact CG2-CG 4.06Å; I655-L657 PolarHBondContact O-N 3.06Å |
| 658 | A | 81.2 | Confident | 77.2 | Confident | 17 Ų | 17 | 63.4 Ų | 63.4 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 119.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y605 R606 K608 | Y605-A658 CarbonylContact C-O 3.49Å; Y605-A658 WeakPolarHBondContact CA-O 3.42Å; R606-A658 HydrophobicContact CG-CB 4.13Å; R606-A658 PolarHBondContact N-O 2.8Å; R606-A658 PolarHBondContact O-N 3.26Å; K608-A658 HydrophobicContact CD-CB 4.24Å; K608-A658 HydrophobicContact CG-CB 3.56Å |
| 659 | A | 86.7 | Confident | 78.3 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 21% | 0.207 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 151.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y605 E661 | Y605-A659 HydrophobicContact CD1-CB 3.87Å; Y605-A659 HydrophobicContact CE1-CB 3.78Å; A659-E661 PolarHBondContact O-N 3.07Å |
| 660 | D | 88.4 | Confident | 79.8 | Confident | 8 Ų | 8 | 47.8 Ų | 47.8 | 4% | 0.043 | 25% | 0.25 | C | S | . | . | trans | -62.6 | 129.9 | 170.7 | -156.2 | -30.5 | 0 | 0 | 0 | 109.3 | R340 W551 R601 I602 A604 W634 D662 | R340-D660 IonicContact CZ-OD2 3.48Å; R340-D660 IonicContact NH1-OD2 2.74Å; R340-D660 PolarHBondContact NH1-OD2 3.18Å; R340-D660 IonicContact NH2-OD2 2.91Å; W551-D660 PolarHBondContact NE1-OD2 3.35Å; R601-D660 PolarHBondContact NE-O 3.26Å; R601-D660 VanDerWaalsContact NE-O 3.1Å; R601-D660 PolarHBondContact NH2-O 2.94Å; I602-D660 HydrophobicContact CB-CB 4.2Å; A604-D660 HydrophobicContact CB-CB 4.24Å; A604-D660 PolarHBondContact O-N 3Å; W634-D660 HydrophobicContact CH2-CB 4Å; W634-D660 HydrophobicContact CZ3-CB 3.76Å; D660-D662 VanDerWaalsContact C-N 3.29Å; D660-D662 PolarHBondContact OD1-N 3.05Å | ||
| 661 | E | 86.9 | Confident | 81.6 | Confident | 109 Ų | 109 | 40.1 Ų | 40.1 | 51% | 0.509 | 22% | 0.215 | S | C | . | . | trans | -78.5 | -20.6 | -177.2 | -70.1 | -61.1 | 132.3 | 0 | 0 | 111.7 | R279 R601 A659 | R279-E661 IonicContact CZ-OE2 3.86Å; R279-E661 PolarHBondContact NH1-O 3.15Å; R279-E661 IonicContact NH1-OE2 2.89Å; R279-E661 PolarHBondContact NH1-OE2 3.26Å; R279-E661 PolarHBondContact NH2-O 2.91Å; R601-E661 IonicContact CZ-OE1 3.62Å; R601-E661 VanDerWaalsContact NH2-CD 3.25Å; R601-E661 IonicContact NH2-OE1 3.66Å; R601-E661 PolarHBondContact NH2-OE1 3.15Å; R601-E661 IonicContact NH2-OE2 3.86Å; A659-E661 PolarHBondContact O-N 3.07Å | ||
| 662 | D | 92 | Very high | 83.7 | Confident | 20 Ų | 20 | 38.2 Ų | 38.2 | 11% | 0.107 | 20% | 0.201 | C | C | . | . | trans | -67.4 | 154.6 | 177.3 | -71.8 | -15.4 | 0 | 0 | 0 | 112.1 | Q595 I602 D660 | Q595-D662 WeakPolarHBondContact CG-OD1 3.4Å; Q595-D662 PolarHBondContact NE2-OD1 2.96Å; Q595-D662 PolarHBondContact NE2-OD2 3.12Å; I602-D662 HydrophobicContact CD1-CB 3.73Å; I602-D662 HydrophobicContact CG1-CB 4.35Å; I602-D662 PolarHBondContact N-O 3.41Å; I602-D662 VanDerWaalsContact N-O 3.13Å; D660-D662 VanDerWaalsContact C-N 3.29Å; D660-D662 PolarHBondContact OD1-N 3.05Å | ||
| 663 | V | 93.3 | Very high | 85.7 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 155.5 | 171 | -60.1 | 0 | 0 | 0 | 0 | 110.5 | S593 R594 S596 H600 R601 | S593-V663 CarbonylContact C-O 3.58Å; R594-V663 HydrophobicContact CB-CG2 4.03Å; R594-V663 PolarHBondContact N-O 2.89Å; R594-V663 WeakPolarHBondContact O-CG2 3.41Å; R594-V663 PolarHBondContact O-N 3.08Å; S596-V663 WeakPolarHBondContact O-CG1 3.38Å; H600-V663 CarbonylContact O-C 3.51Å; H600-V663 WeakPolarHBondContact O-CA 3.34Å; H600-V663 VanDerWaalsContact O-CB 3.27Å; H600-V663 WeakPolarHBondContact O-CB 3.5Å; R601-V663 HydrophobicContact CG-CG1 4.46Å |
| 664 | L | 93.9 | Very high | 87.6 | Confident | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 149.1 | 174.7 | -66.8 | 167.4 | 0 | 0 | 0 | 110.8 | V325 F329 L592 H600 I602 T666 F668 | V325-L664 HydrophobicContact CG1-CD1 3.49Å; V325-L664 VanDerWaalsContact CG1-CD1 3.49Å; F329-L664 HydrophobicContact CD2-CD1 4.38Å; F329-L664 HydrophobicContact CD2-CD2 3.79Å; F329-L664 HydrophobicContact CE2-CD2 3.68Å; L592-L664 HydrophobicContact CB-CD2 4.15Å; L592-L664 HydrophobicContact CD1-CD2 4.37Å; L592-L664 CarbonylContact O-C 3.57Å; L592-L664 WeakPolarHBondContact O-CA 3.37Å; H600-L664 HydrophobicContact CB-CB 4.31Å; H600-L664 HydrophobicContact CB-CD1 4.06Å; H600-L664 PolarHBondContact O-N 3.25Å; I602-L664 HydrophobicContact CD1-CD2 4.47Å; I602-L664 HydrophobicContact CG1-CD2 3.81Å; I602-L664 HydrophobicContact CG1-CG 3.97Å; L664-T666 PolarHBondContact O-N 3.43Å; L664-F668 HydrophobicContact CD1-CD1 3.81Å; L664-F668 HydrophobicContact CD1-CE1 4.03Å; L664-F668 HydrophobicContact CD2-CD1 4.43Å; L664-F668 HydrophobicContact CG-CD1 4.49Å |
| 665 | D | 91.6 | Very high | 89.4 | Confident | 5 Ų | 5 | 17 Ų | 17 | 3% | 0.027 | 9% | 0.091 | C | C | . | . | trans | -53.9 | 131 | 166.8 | -170.4 | 1.1 | 0 | 0 | 0 | 109.4 | W590 L592 R594 W667 F668 R710 | W590-D665 HydrophobicContact CZ2-CB 4.27Å; W590-D665 PolarHBondContact NE1-OD2 3.03Å; L592-D665 PolarHBondContact O-N 3.13Å; R594-D665 HydrophobicContact CG-CB 4.48Å; R594-D665 IonicContact CZ-OD2 3.69Å; R594-D665 IonicContact NE-OD1 3.29Å; R594-D665 IonicContact NH2-OD1 3.95Å; R594-D665 IonicContact NH2-OD2 2.92Å; R594-D665 PolarHBondContact NH2-OD2 3.44Å; D665-W667 PolarHBondContact O-N 3.12Å; D665-W667 VanDerWaalsContact O-N 3.11Å; D665-F668 VanDerWaalsContact O-CB 3.23Å; D665-F668 WeakPolarHBondContact O-CB 3.33Å; D665-F668 PolarHBondContact O-N 3.37Å; D665-R710 IonicContact OD2-NH1 3.66Å | ||
| 666 | T | 91.9 | Very high | 90.9 | Very high | 13 Ų | 13 | 16.6 Ų | 16.6 | 8% | 0.08 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -53.3 | -39.6 | -176.5 | -162.8 | 0 | 0 | 0 | 0 | 110.9 | D252 H253 L664 F668 S669 S670 | D252-T666 PolarHBondContact OD1-OG1 2.96Å; H253-T666 PolarHBondContact CE1-OG1 2.6Å; H253-T666 PolarHBondContact NE2-OG1 3.1Å; L664-T666 PolarHBondContact O-N 3.43Å; T666-F668 PolarHBondContact O-N 2.97Å; T666-F668 VanDerWaalsContact O-N 3.16Å; T666-S669 PolarHBondContact O-N 3.34Å; T666-S669 VanDerWaalsContact O-N 3.11Å; T666-S669 PolarHBondContact O-OG 3.41Å; T666-S670 PolarHBondContact O-N 2.92Å; T666-S670 PolarHBondContact O-OG 3Å |
| 667 | W | 92.3 | Very high | 91.7 | Very high | 34 Ų | 34 | 13.2 Ų | 13.2 | 13% | 0.129 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.5 | -23.1 | 179.5 | -63.2 | 112.3 | 0 | 0 | 0 | 113.9 | W590 D665 A671 I703 L706 W707 | W590-W667 HydrophobicContact CH2-CB 4.19Å; W590-W667 HydrophobicContact CZ2-CB 3.77Å; D665-W667 PolarHBondContact O-N 3.12Å; D665-W667 VanDerWaalsContact O-N 3.11Å; W667-A671 WeakPolarHBondContact O-CB 3.03Å; W667-A671 PolarHBondContact O-N 2.71Å; W667-I703 HydrophobicContact CH2-CB 4.25Å; W667-I703 HydrophobicContact CH2-CG2 3.91Å; W667-L706 HydrophobicContact CD2-CB 4.1Å; W667-L706 VanDerWaalsContact CD2-O 3.32Å; W667-L706 HydrophobicContact CE3-CB 4.41Å; W667-L706 HydrophobicContact CH2-CB 4.18Å; W667-L706 HydrophobicContact CZ2-CB 3.83Å; W667-L706 HydrophobicContact CZ2-CD1 3.9Å; W667-L706 HydrophobicContact CZ2-CG 4.4Å; W667-L706 HydrophobicContact CZ3-CB 4.47Å; W667-W707 HydrophobicContact CE3-CB 3.68Å; W667-W707 AromaticContact CE3-CD1 3.94Å; W667-W707 AromaticContact CE3-CG 3.92Å; W667-W707 HydrophobicContact CE3-CG 3.92Å; W667-W707 HydrophobicContact CH2-CB 4.45Å; W667-W707 HydrophobicContact CZ3-CB 3.49Å; W667-W707 VanDerWaalsContact CZ3-CB 3.49Å; W667-W707 HydrophobicContact CZ3-CD2 4.44Å; W667-W707 AromaticContact CZ3-CG 3.74Å; W667-W707 HydrophobicContact CZ3-CG 3.74Å |
| 668 | F | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.6 | -48.8 | 173.9 | -176.7 | -97.9 | 0 | 0 | 0 | 110.6 | V325 A328 F329 L332 L553 W590 L592 L664 D665 T666 L714 | V325-F668 HydrophobicContact CG1-CD1 4.12Å; V325-F668 HydrophobicContact CG1-CE1 4.06Å; A328-F668 HydrophobicContact CB-CZ 4.31Å; F329-F668 HydrophobicContact CB-CE1 4.44Å; F329-F668 HydrophobicContact CB-CZ 4.39Å; F329-F668 HydrophobicContact CD2-CE1 4.39Å; F329-F668 HydrophobicContact CD2-CZ 4.29Å; L332-F668 HydrophobicContact CD1-CE2 3.7Å; L332-F668 HydrophobicContact CD1-CZ 3.87Å; L553-F668 HydrophobicContact CD2-CE2 4.43Å; W590-F668 HydrophobicContact CH2-CB 3.99Å; W590-F668 HydrophobicContact CH2-CD2 4.33Å; W590-F668 HydrophobicContact CZ2-CB 4.13Å; W590-F668 HydrophobicContact CZ3-CD2 4.38Å; L592-F668 HydrophobicContact CD1-CD2 4Å; L592-F668 HydrophobicContact CD1-CE2 4.06Å; L592-F668 HydrophobicContact CD2-CB 4.26Å; L592-F668 HydrophobicContact CD2-CD2 3.82Å; L592-F668 HydrophobicContact CD2-CG 4.32Å; L664-F668 HydrophobicContact CD1-CD1 3.81Å; L664-F668 HydrophobicContact CD1-CE1 4.03Å; L664-F668 HydrophobicContact CD2-CD1 4.43Å; L664-F668 HydrophobicContact CG-CD1 4.49Å; D665-F668 VanDerWaalsContact O-CB 3.23Å; D665-F668 WeakPolarHBondContact O-CB 3.33Å; D665-F668 PolarHBondContact O-N 3.37Å; T666-F668 PolarHBondContact O-N 2.97Å; T666-F668 VanDerWaalsContact O-N 3.16Å; F668-L714 HydrophobicContact CD2-CD1 4.12Å; F668-L714 HydrophobicContact CE2-CD1 4.19Å |
| 669 | S | 94.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.007 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66 | -45.7 | 174 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | H253 F321 T666 A671 L672 | H253-S669 PolarHBondContact CE1-OG 3Å; F321-S669 WeakPolarHBondContact CE1-O 3.43Å; F321-S669 WeakPolarHBondContact CZ-O 3.09Å; T666-S669 PolarHBondContact O-N 3.34Å; T666-S669 VanDerWaalsContact O-N 3.11Å; T666-S669 PolarHBondContact O-OG 3.41Å; S669-A671 PolarHBondContact O-N 3.48Å; S669-L672 WeakPolarHBondContact O-CB 3.3Å; S669-L672 PolarHBondContact O-N 2.94Å |
| 670 | S | 94.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.007 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.3 | -31.4 | -178.8 | -38.9 | 0 | 0 | 0 | 0 | 112 | D252 T666 L672 I673 W707 | D252-S670 WeakPolarHBondContact OD2-CB 3.12Å; D252-S670 PolarHBondContact OD2-OG 2.94Å; T666-S670 PolarHBondContact O-N 2.92Å; T666-S670 PolarHBondContact O-OG 3Å; S670-L672 PolarHBondContact O-N 3.42Å; S670-I673 WeakPolarHBondContact O-CB 3.48Å; S670-I673 WeakPolarHBondContact O-CD1 3.43Å; S670-I673 WeakPolarHBondContact O-CG1 3.44Å; S670-I673 PolarHBondContact O-N 3.25Å; S670-W707 PolarHBondContact O-NE1 2.97Å |
| 671 | A | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -14.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | W667 S669 R710 M711 L714 | W667-A671 WeakPolarHBondContact O-CB 3.03Å; W667-A671 PolarHBondContact O-N 2.71Å; S669-A671 PolarHBondContact O-N 3.48Å; A671-R710 HydrophobicContact CB-CB 4.15Å; A671-M711 HydrophobicContact CB-CB 4.4Å; A671-M711 WeakPolarHBondContact O-CA 3.49Å; A671-M711 WeakPolarHBondContact O-CG 3.05Å; A671-L714 HydrophobicContact CB-CD1 3.65Å; A671-L714 HydrophobicContact CB-CG 4.44Å |
| 672 | L | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -5 | 177.1 | -58.7 | 174.8 | 0 | 0 | 0 | 113.5 | F321 V325 A328 S669 S670 L675 V676 L714 L718 | F321-L672 HydrophobicContact CE1-CB 4.45Å; V325-L672 HydrophobicContact CB-CD1 4.42Å; V325-L672 HydrophobicContact CG2-CD1 3.98Å; A328-L672 HydrophobicContact CB-CD1 3.66Å; A328-L672 HydrophobicContact CB-CD2 3.95Å; A328-L672 HydrophobicContact CB-CG 4.48Å; S669-L672 WeakPolarHBondContact O-CB 3.3Å; S669-L672 PolarHBondContact O-N 2.94Å; S670-L672 PolarHBondContact O-N 3.42Å; L672-L675 HydrophobicContact CD2-CD1 4.08Å; L672-L675 WeakPolarHBondContact O-CA 3.31Å; L672-L675 WeakPolarHBondContact O-CB 3.46Å; L672-L675 PolarHBondContact O-N 3.13Å; L672-V676 HydrophobicContact CB-CG2 4.21Å; L672-V676 PolarHBondContact O-N 2.8Å; L672-L714 HydrophobicContact CD2-CB 4.35Å; L672-L714 HydrophobicContact CD2-CD1 4.03Å; L672-L718 HydrophobicContact CD2-CD1 3.57Å |
| 673 | I | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -47.5 | -50.8 | -173.5 | -74.2 | 166.9 | 0 | 0 | 0 | 113.3 | C210 P213 F314 T316 F321 S670 L675 V676 I677 W707 | C210-I673 HydrophobicContact CB-CG2 4.46Å; C210-I673 WeakPolarHBondContact SG-CG2 3.33Å; P213-I673 HydrophobicContact CG-CD1 3.55Å; F314-I673 HydrophobicContact CE1-CG2 4.06Å; F314-I673 HydrophobicContact CE2-CD1 3.87Å; F314-I673 HydrophobicContact CE2-CG1 3.8Å; F314-I673 HydrophobicContact CE2-CG2 4.14Å; F314-I673 HydrophobicContact CZ-CB 4.45Å; F314-I673 HydrophobicContact CZ-CD1 4.03Å; F314-I673 HydrophobicContact CZ-CG1 4.05Å; F314-I673 HydrophobicContact CZ-CG2 3.55Å; T316-I673 HydrophobicContact CG2-CD1 4.41Å; F321-I673 HydrophobicContact CE2-CG1 3.91Å; F321-I673 HydrophobicContact CZ-CB 4.49Å; F321-I673 HydrophobicContact CZ-CG1 3.64Å; S670-I673 WeakPolarHBondContact O-CB 3.48Å; S670-I673 WeakPolarHBondContact O-CD1 3.43Å; S670-I673 WeakPolarHBondContact O-CG1 3.44Å; S670-I673 PolarHBondContact O-N 3.25Å; I673-L675 PolarHBondContact O-N 3.44Å; I673-V676 PolarHBondContact O-N 2.92Å; I673-V676 VanDerWaalsContact O-N 3.17Å; I673-I677 HydrophobicContact CG2-CD1 4.42Å; I673-I677 HydrophobicContact CG2-CG2 4.21Å; I673-I677 WeakPolarHBondContact O-CG1 3.44Å; I673-I677 WeakPolarHBondContact O-CG2 3.24Å; I673-I677 PolarHBondContact O-N 2.93Å; I673-W707 HydrophobicContact CD1-CZ2 3.7Å |
| 674 | P | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.6 | -32 | 179.6 | -23.9 | 33.8 | 0 | 0 | 0 | 114.1 | I677 A678 F692 L694 M711 P723 | P674-I677 WeakPolarHBondContact O-CG1 3.45Å; P674-A678 VanDerWaalsContact O-CB 3.31Å; P674-A678 WeakPolarHBondContact O-CB 3.32Å; P674-A678 PolarHBondContact O-N 3.43Å; P674-F692 HydrophobicContact CB-CD2 4.09Å; P674-F692 HydrophobicContact CB-CE2 3.86Å; P674-F692 WeakPolarHBondContact O-CD2 3.25Å; P674-L694 HydrophobicContact CB-CD1 4.25Å; P674-L694 HydrophobicContact CB-CG 4.46Å; P674-L694 HydrophobicContact CG-CD1 4.1Å; P674-M711 HydrophobicContact CG-CE 4.2Å; P674-M711 HydrophobicContact CG-CG 3.6Å; P674-M711 HydrophobicContact CG-SD 3.25Å; P674-M711 WeakPolarHBondContact CG-SD 3.2Å; P674-P723 HydrophobicContact CB-CB 3.91Å; P674-P723 HydrophobicContact CG-CB 3.84Å |
| 675 | L | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -72.9 | -47.3 | 177.2 | -58.7 | 179.6 | 0 | 0 | 0 | 110.4 | L672 I673 A678 G679 W680 W684 F692 L718 T719 | L672-L675 HydrophobicContact CD2-CD1 4.08Å; L672-L675 WeakPolarHBondContact O-CA 3.31Å; L672-L675 WeakPolarHBondContact O-CB 3.46Å; L672-L675 PolarHBondContact O-N 3.13Å; I673-L675 PolarHBondContact O-N 3.44Å; L675-A678 CarbonylContact O-C 3.56Å; L675-A678 WeakPolarHBondContact O-CA 3.44Å; L675-A678 PolarHBondContact O-N 2.99Å; L675-A678 VanDerWaalsContact O-N 3.16Å; L675-G679 PolarHBondContact O-N 3.22Å; L675-W680 HydrophobicContact CB-CB 3.84Å; L675-W680 HydrophobicContact CB-CD2 4.39Å; L675-W680 HydrophobicContact CB-CE3 4.39Å; L675-W680 HydrophobicContact CB-CG 4.16Å; L675-W680 WeakPolarHBondContact O-CB 3.49Å; L675-W680 PolarHBondContact O-N 3.31Å; L675-W684 HydrophobicContact CD2-CH2 4.02Å; L675-W684 HydrophobicContact CD2-CZ3 4.01Å; L675-F692 HydrophobicContact CD2-CD2 4.11Å; L675-F692 HydrophobicContact CD2-CE2 3.48Å; L675-F692 VanDerWaalsContact CD2-CE2 3.48Å; L675-F692 HydrophobicContact CD2-CZ 3.93Å; L675-F692 HydrophobicContact CG-CE2 4.4Å; L675-L718 HydrophobicContact CD1-CB 4.21Å; L675-L718 HydrophobicContact CD1-CD1 3.79Å; L675-T719 HydrophobicContact CD1-CG2 4.4Å; L675-T719 HydrophobicContact CD2-CG2 3.48Å; L675-T719 VanDerWaalsContact CD2-CG2 3.48Å |
| 676 | V | 94.1 | Very high | 91.3 | Very high | 19 Ų | 19 | 29.6 Ų | 29.6 | 12% | 0.115 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.2 | -43.9 | -176.4 | -179 | 0 | 0 | 0 | 0 | 111.6 | F321 A324 L672 I673 A678 G679 | F321-V676 HydrophobicContact CB-CG1 4.4Å; F321-V676 HydrophobicContact CD1-CG2 4.19Å; F321-V676 HydrophobicContact CD2-CB 4.05Å; F321-V676 HydrophobicContact CD2-CG1 3.56Å; F321-V676 HydrophobicContact CD2-CG2 4.18Å; F321-V676 HydrophobicContact CE1-CG2 3.93Å; F321-V676 HydrophobicContact CE2-CB 3.82Å; F321-V676 HydrophobicContact CE2-CG1 3.86Å; F321-V676 HydrophobicContact CE2-CG2 3.94Å; F321-V676 HydrophobicContact CG-CG1 4.02Å; F321-V676 HydrophobicContact CG-CG2 4.28Å; F321-V676 HydrophobicContact CZ-CB 4.15Å; F321-V676 HydrophobicContact CZ-CG2 3.78Å; A324-V676 HydrophobicContact CB-CG2 3.52Å; L672-V676 HydrophobicContact CB-CG2 4.21Å; L672-V676 PolarHBondContact O-N 2.8Å; I673-V676 PolarHBondContact O-N 2.92Å; I673-V676 VanDerWaalsContact O-N 3.17Å; V676-A678 PolarHBondContact O-N 2.83Å; V676-G679 PolarHBondContact O-N 3.47Å |
| 677 | I | 91.6 | Very high | 90.7 | Very high | 11 Ų | 11 | 30.4 Ų | 30.4 | 6% | 0.056 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.6 | -23.8 | 177.6 | 68.3 | -171.4 | 0 | 0 | 0 | 112.5 | C210 I248 F314 I673 P674 G679 L691 L694 | C210-I677 HydrophobicContact CB-CD1 3.87Å; I248-I677 HydrophobicContact CD1-CB 3.93Å; I248-I677 HydrophobicContact CD1-CD1 4.19Å; I248-I677 HydrophobicContact CD1-CG1 4.23Å; I248-I677 HydrophobicContact CG2-CB 4.35Å; I248-I677 HydrophobicContact CG2-CG2 3.97Å; F314-I677 HydrophobicContact CD1-CG2 3.55Å; F314-I677 HydrophobicContact CE1-CG2 3.7Å; F314-I677 HydrophobicContact CG-CG2 4.29Å; I673-I677 HydrophobicContact CG2-CD1 4.42Å; I673-I677 HydrophobicContact CG2-CG2 4.21Å; I673-I677 WeakPolarHBondContact O-CG1 3.44Å; I673-I677 WeakPolarHBondContact O-CG2 3.24Å; I673-I677 PolarHBondContact O-N 2.93Å; P674-I677 WeakPolarHBondContact O-CG1 3.45Å; I677-G679 VanDerWaalsContact C-N 3.27Å; I677-L691 WeakPolarHBondContact O-CD1 3.38Å; I677-L694 HydrophobicContact CD1-CD2 3.91Å |
| 678 | A | 91.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 18.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | P674 L675 V676 W680 W684 D687 L691 F692 | P674-A678 VanDerWaalsContact O-CB 3.31Å; P674-A678 WeakPolarHBondContact O-CB 3.32Å; P674-A678 PolarHBondContact O-N 3.43Å; L675-A678 CarbonylContact O-C 3.56Å; L675-A678 WeakPolarHBondContact O-CA 3.44Å; L675-A678 PolarHBondContact O-N 2.99Å; L675-A678 VanDerWaalsContact O-N 3.16Å; V676-A678 PolarHBondContact O-N 2.83Å; A678-W680 PolarHBondContact O-N 3.26Å; A678-W684 HydrophobicContact CB-CE3 4.23Å; A678-W684 HydrophobicContact CB-CZ3 3.85Å; A678-D687 VanDerWaalsContact O-CB 3.25Å; A678-D687 WeakPolarHBondContact O-CB 3.27Å; A678-L691 HydrophobicContact CB-CB 4Å; A678-F692 HydrophobicContact CB-CB 3.78Å; A678-F692 HydrophobicContact CB-CD2 4.47Å |
| 679 | G | 90.4 | Very high | 89.4 | Confident | 14 Ų | 14 | 34.4 Ų | 34.4 | 14% | 0.144 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 4.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L675 V676 I677 H682 N683 W684 | L675-G679 PolarHBondContact O-N 3.22Å; V676-G679 PolarHBondContact O-N 3.47Å; I677-G679 VanDerWaalsContact C-N 3.27Å; G679-H682 PolarHBondContact O-N 3.16Å; G679-N683 CarbonylContact O-C 3.51Å; G679-N683 VanDerWaalsContact O-CA 3.31Å; G679-N683 WeakPolarHBondContact O-CA 3.29Å; G679-N683 PolarHBondContact O-N 3.49Å; G679-W684 PolarHBondContact O-N 2.83Å |
| 680 | W | 93.8 | Very high | 88.8 | Confident | 10 Ų | 10 | 39.9 Ų | 39.9 | 4% | 0.038 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 139.1 | -179.8 | -168.3 | 90.9 | 0 | 0 | 0 | 112 | A324 E327 A328 L675 A678 W684 | A324-W680 HydrophobicContact CB-CE3 3.7Å; A324-W680 HydrophobicContact CB-CZ3 3.73Å; A324-W680 WeakPolarHBondContact O-CZ3 3.49Å; E327-W680 HydrophobicContact CB-CH2 3.79Å; E327-W680 HydrophobicContact CB-CZ2 4.46Å; E327-W680 HydrophobicContact CB-CZ3 4.27Å; E327-W680 HydrophobicContact CG-CH2 3.55Å; E327-W680 HydrophobicContact CG-CZ2 3.73Å; E327-W680 HydrophobicContact CG-CZ3 4.39Å; A328-W680 HydrophobicContact CB-CH2 3.88Å; A328-W680 HydrophobicContact CB-CZ3 4.13Å; L675-W680 HydrophobicContact CB-CB 3.84Å; L675-W680 HydrophobicContact CB-CD2 4.39Å; L675-W680 HydrophobicContact CB-CE3 4.39Å; L675-W680 HydrophobicContact CB-CG 4.16Å; L675-W680 WeakPolarHBondContact O-CB 3.49Å; L675-W680 PolarHBondContact O-N 3.31Å; A678-W680 PolarHBondContact O-N 3.26Å; W680-W684 HydrophobicContact CB-CB 4.5Å; W680-W684 HydrophobicContact CB-CD2 4.4Å; W680-W684 HydrophobicContact CB-CE3 3.72Å; W680-W684 HydrophobicContact CB-CZ3 4.33Å; W680-W684 AromaticContact CD1-CD2 3.92Å; W680-W684 AromaticContact CD1-CE3 3.99Å; W680-W684 HydrophobicContact CG-CE3 4.25Å |
| 681 | P | 91.2 | Very high | 88.5 | Confident | 22 Ų | 22 | 40.3 Ų | 40.3 | 14% | 0.143 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -90.3 | -26.2 | 3.2 | 33.4 | -34.4 | 0 | 0 | 0 | 114.8 | I323 E327 | I323-P681 HydrophobicContact CG2-CG 4.16Å; E327-P681 HydrophobicContact CB-CB 4.48Å; E327-P681 HydrophobicContact CB-CG 4.09Å; E327-P681 HydrophobicContact CG-CB 3.92Å; E327-P681 HydrophobicContact CG-CG 4.06Å |
| 682 | H | 87.6 | Confident | 88.3 | Confident | 137 Ų | 137 | 40.7 Ų | 40.7 | 63% | 0.634 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -38.2 | -166.2 | -66.6 | -48.5 | 0 | 0 | 0 | 115 | I323 G679 | I323-H682 WeakPolarHBondContact CG2-NE2 3.22Å; G679-H682 PolarHBondContact O-N 3.16Å |
| 683 | N | 85.2 | Confident | 88.1 | Confident | 95 Ų | 95 | 43.6 Ų | 43.6 | 51% | 0.508 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 15 | -178.9 | -68.1 | -4.7 | 0 | 0 | 0 | 112.5 | G679 Q685 A686 D687 | G679-N683 CarbonylContact O-C 3.51Å; G679-N683 VanDerWaalsContact O-CA 3.31Å; G679-N683 WeakPolarHBondContact O-CA 3.29Å; G679-N683 PolarHBondContact O-N 3.49Å; N683-Q685 PolarHBondContact O-N 3.29Å; N683-A686 PolarHBondContact O-N 3.01Å; N683-A686 VanDerWaalsContact O-N 3.13Å; N683-D687 PolarHBondContact O-N 2.87Å; N683-D687 VanDerWaalsContact O-N 3.12Å |
| 684 | W | 88.3 | Confident | 88 | Confident | 44 Ų | 44 | 43.6 Ų | 43.6 | 17% | 0.167 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.6 | -45.6 | -175.6 | 177.3 | -106 | 0 | 0 | 0 | 112.1 | L675 A678 G679 W680 A686 D687 N688 F692 T719 R721 | L675-W684 HydrophobicContact CD2-CH2 4.02Å; L675-W684 HydrophobicContact CD2-CZ3 4.01Å; A678-W684 HydrophobicContact CB-CE3 4.23Å; A678-W684 HydrophobicContact CB-CZ3 3.85Å; G679-W684 PolarHBondContact O-N 2.83Å; W680-W684 HydrophobicContact CB-CB 4.5Å; W680-W684 HydrophobicContact CB-CD2 4.4Å; W680-W684 HydrophobicContact CB-CE3 3.72Å; W680-W684 HydrophobicContact CB-CZ3 4.33Å; W680-W684 AromaticContact CD1-CD2 3.92Å; W680-W684 AromaticContact CD1-CE3 3.99Å; W680-W684 HydrophobicContact CG-CE3 4.25Å; W684-A686 PolarHBondContact O-N 2.65Å; W684-D687 PolarHBondContact O-N 3.18Å; W684-N688 HydrophobicContact CD2-CB 3.47Å; W684-N688 VanDerWaalsContact CD2-CB 3.47Å; W684-N688 HydrophobicContact CE3-CB 3.52Å; W684-N688 HydrophobicContact CG-CB 4.16Å; W684-N688 HydrophobicContact CH2-CB 3.82Å; W684-N688 HydrophobicContact CZ2-CB 3.7Å; W684-N688 HydrophobicContact CZ3-CB 3.71Å; W684-N688 WeakPolarHBondContact O-CB 3.47Å; W684-N688 PolarHBondContact O-N 3.41Å; W684-N688 PolarHBondContact O-ND2 3.03Å; W684-F692 HydrophobicContact CH2-CB 4.07Å; W684-F692 AromaticContact CH2-CD1 3.92Å; W684-F692 HydrophobicContact CH2-CD1 3.92Å; W684-F692 HydrophobicContact CH2-CD2 4.06Å; W684-F692 HydrophobicContact CH2-CE1 4.33Å; W684-F692 HydrophobicContact CH2-CE2 4.46Å; W684-F692 AromaticContact CH2-CG 3.73Å; W684-F692 HydrophobicContact CH2-CG 3.73Å; W684-F692 HydrophobicContact CZ3-CB 4.18Å; W684-F692 HydrophobicContact CZ3-CD2 4.2Å; W684-F692 HydrophobicContact CZ3-CG 4.12Å; W684-T719 HydrophobicContact CH2-CG2 4.01Å; W684-T719 HydrophobicContact CZ2-CG2 3.97Å; W684-R721 VanDerWaalsContact CH2-NH2 3.3Å; W684-R721 VanDerWaalsContact CZ2-NH2 3.25Å |
| 685 | Q | 81.8 | Confident | 88 | Confident | 150 Ų | 150 | 45 Ų | 45 | 70% | 0.701 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.3 | -32.5 | -179 | -65.9 | 97.8 | -14.6 | 0 | 0 | 113 | N683 | N683-Q685 PolarHBondContact O-N 3.29Å |
| 686 | A | 77.9 | Confident | 88 | Confident | 70 Ų | 70 | 45 Ų | 45 | 58% | 0.579 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -80.9 | -40 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N683 W684 | N683-A686 PolarHBondContact O-N 3.01Å; N683-A686 VanDerWaalsContact O-N 3.13Å; W684-A686 PolarHBondContact O-N 2.65Å |
| 687 | D | 80.4 | Confident | 88.1 | Confident | 30 Ų | 30 | 44.1 Ų | 44.1 | 16% | 0.16 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -99.2 | -24 | -169.5 | -84.6 | -17.5 | 0 | 0 | 0 | 113.4 | R312 A678 N683 W684 D689 H690 L691 | R312-D687 IonicContact CZ-OD1 2.8Å; R312-D687 IonicContact CZ-OD2 3.66Å; R312-D687 IonicContact NH1-OD1 2.71Å; R312-D687 IonicContact NH1-OD2 3.87Å; R312-D687 PolarHBondContact NH1-OD2 2.95Å; R312-D687 IonicContact NH2-OD1 3.79Å; R312-D687 PolarHBondContact NH2-OD1 3.47Å; R312-D687 IonicContact NH2-OD2 2.82Å; R312-D687 PolarHBondContact NH2-OD2 2.93Å; A678-D687 VanDerWaalsContact O-CB 3.25Å; A678-D687 WeakPolarHBondContact O-CB 3.27Å; N683-D687 PolarHBondContact O-N 2.87Å; N683-D687 VanDerWaalsContact O-N 3.12Å; W684-D687 PolarHBondContact O-N 3.18Å; D687-D689 PolarHBondContact O-N 3.24Å; D687-H690 PolarHBondContact O-N 3.22Å; D687-L691 HydrophobicContact CB-CD1 4.17Å; D687-L691 WeakPolarHBondContact O-CB 3.19Å; D687-L691 PolarHBondContact O-N 3.18Å |
| 688 | N | 81.1 | Confident | 88.3 | Confident | 14 Ų | 14 | 43.7 Ų | 43.7 | 8% | 0.075 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.9 | -33.2 | -166.8 | 89.2 | 84 | 0 | 0 | 0 | 114.4 | W684 H690 F692 R721 | W684-N688 HydrophobicContact CD2-CB 3.47Å; W684-N688 VanDerWaalsContact CD2-CB 3.47Å; W684-N688 HydrophobicContact CE3-CB 3.52Å; W684-N688 HydrophobicContact CG-CB 4.16Å; W684-N688 HydrophobicContact CH2-CB 3.82Å; W684-N688 HydrophobicContact CZ2-CB 3.7Å; W684-N688 HydrophobicContact CZ3-CB 3.71Å; W684-N688 WeakPolarHBondContact O-CB 3.47Å; W684-N688 PolarHBondContact O-N 3.41Å; W684-N688 PolarHBondContact O-ND2 3.03Å; N688-H690 PolarHBondContact O-N 3.4Å; N688-F692 CarbonylContact O-C 3.56Å; N688-F692 PolarHBondContact O-N 2.98Å; N688-R721 PolarHBondContact OD1-NH1 3.35Å; N688-R721 PolarHBondContact OD1-NH2 3.31Å |
| 689 | D | 76.9 | Confident | 88.4 | Confident | 105 Ų | 105 | 43.8 Ų | 43.8 | 56% | 0.561 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -68.7 | -19.8 | -177.9 | -70.7 | -21 | 0 | 0 | 0 | 112.3 | D687 | D687-D689 PolarHBondContact O-N 3.24Å |
| 690 | H | 82.8 | Confident | 88.5 | Confident | 116 Ų | 116 | 43.5 Ų | 43.5 | 54% | 0.537 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -109.4 | -23.5 | -178.1 | -57.9 | -56.7 | 0 | 0 | 0 | 113.5 | P206 V208 D687 N688 | P206-H690 HydrophobicContact CG-CB 4.16Å; P206-H690 WeakPolarHBondContact CG-O 3.2Å; V208-H690 WeakPolarHBondContact CG2-O 3.36Å; D687-H690 PolarHBondContact O-N 3.22Å; N688-H690 PolarHBondContact O-N 3.4Å |
| 691 | L | 87.4 | Confident | 88.3 | Confident | 9 Ų | 9 | 45.3 Ų | 45.3 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -116.9 | -7.5 | -173.2 | -61.6 | 178.7 | 0 | 0 | 0 | 114.3 | V208 I248 R312 I677 A678 D687 | V208-L691 HydrophobicContact CG1-CD2 4.03Å; V208-L691 HydrophobicContact CG2-CD2 4.04Å; I248-L691 HydrophobicContact CD1-CD2 4.49Å; R312-L691 VanDerWaalsContact CZ-CD1 3.41Å; R312-L691 VanDerWaalsContact NH1-CD1 3.28Å; I677-L691 WeakPolarHBondContact O-CD1 3.38Å; A678-L691 HydrophobicContact CB-CB 4Å; D687-L691 HydrophobicContact CB-CD1 4.17Å; D687-L691 WeakPolarHBondContact O-CB 3.19Å; D687-L691 PolarHBondContact O-N 3.18Å |
| 692 | F | 91 | Very high | 88 | Confident | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -138 | 129.6 | -179.4 | -168.9 | -72.7 | 0 | 0 | 0 | 112 | P674 L675 A678 W684 N688 R721 L722 P723 | P674-F692 HydrophobicContact CB-CD2 4.09Å; P674-F692 HydrophobicContact CB-CE2 3.86Å; P674-F692 WeakPolarHBondContact O-CD2 3.25Å; L675-F692 HydrophobicContact CD2-CD2 4.11Å; L675-F692 HydrophobicContact CD2-CE2 3.48Å; L675-F692 VanDerWaalsContact CD2-CE2 3.48Å; L675-F692 HydrophobicContact CD2-CZ 3.93Å; L675-F692 HydrophobicContact CG-CE2 4.4Å; A678-F692 HydrophobicContact CB-CB 3.78Å; A678-F692 HydrophobicContact CB-CD2 4.47Å; W684-F692 HydrophobicContact CH2-CB 4.07Å; W684-F692 AromaticContact CH2-CD1 3.92Å; W684-F692 HydrophobicContact CH2-CD1 3.92Å; W684-F692 HydrophobicContact CH2-CD2 4.06Å; W684-F692 HydrophobicContact CH2-CE1 4.33Å; W684-F692 HydrophobicContact CH2-CE2 4.46Å; W684-F692 AromaticContact CH2-CG 3.73Å; W684-F692 HydrophobicContact CH2-CG 3.73Å; W684-F692 HydrophobicContact CZ3-CB 4.18Å; W684-F692 HydrophobicContact CZ3-CD2 4.2Å; W684-F692 HydrophobicContact CZ3-CG 4.12Å; N688-F692 CarbonylContact O-C 3.56Å; N688-F692 PolarHBondContact O-N 2.98Å; F692-R721 HydrophobicContact CD1-CB 4.45Å; F692-R721 HydrophobicContact CE1-CB 3.6Å; F692-R721 HydrophobicContact CZ-CB 4.43Å; F692-R721 PolarHBondContact O-NH2 3.28Å; F692-L722 WeakPolarHBondContact CE1-O 3.29Å; F692-L722 WeakPolarHBondContact CZ-O 3.49Å; F692-P723 HydrophobicContact CE2-CB 4.12Å; F692-P723 VanDerWaalsContact CZ-CA 3.49Å; F692-P723 HydrophobicContact CZ-CB 4.21Å |
| 693 | P | 92.3 | Very high | 88 | Confident | 61 Ų | 61 | 42.5 Ų | 42.5 | 40% | 0.396 | 23% | 0.23 | S | C | . | . | S | Bend | cis | -76.7 | 164.1 | 3.9 | 32.6 | -37.1 | 0 | 0 | 0 | 112.9 | L722 P723 | P693-L722 WeakPolarHBondContact CB-O 3.46Å; P693-P723 WeakPolarHBondContact CB-O 3.38Å |
| 694 | L | 94.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -60.7 | 137.5 | 165.4 | -62.6 | 176.1 | 0 | 0 | 0 | 109.8 | V208 C210 P674 I677 L696 M697 P723 F724 | V208-L694 HydrophobicContact CB-CD2 4.36Å; V208-L694 HydrophobicContact CG1-CD2 3.72Å; C210-L694 HydrophobicContact CB-CD1 3.92Å; C210-L694 HydrophobicContact CB-CD2 4.33Å; P674-L694 HydrophobicContact CB-CD1 4.25Å; P674-L694 HydrophobicContact CB-CG 4.46Å; P674-L694 HydrophobicContact CG-CD1 4.1Å; I677-L694 HydrophobicContact CD1-CD2 3.91Å; L694-L696 VanDerWaalsContact C-N 3.31Å; L694-M697 HydrophobicContact CD1-CE 3.46Å; L694-M697 VanDerWaalsContact CD1-CE 3.46Å; L694-P723 WeakPolarHBondContact CB-O 3.07Å; L694-P723 PolarHBondContact N-O 3.06Å; L694-F724 HydrophobicContact CB-CB 4.19Å; L694-F724 WeakPolarHBondContact O-CA 3.29Å |
| 695 | S | 93.8 | Very high | 87.9 | Confident | 30 Ų | 30 | 36.2 Ų | 36.2 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -69.3 | -33.7 | 176.1 | -49.6 | 0 | 0 | 0 | 0 | 111.6 | P206 F207 V208 | P206-S695 PolarHBondContact O-OG 3.4Å; F207-S695 WeakPolarHBondContact CA-OG 3.42Å; V208-S695 PolarHBondContact N-OG 3.29Å; V208-S695 PolarHBondContact O-N 3.37Å |
| 696 | L | 95.3 | Very high | 88 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -150.7 | 133.1 | 176.6 | 178.9 | 66.4 | 0 | 0 | 0 | 110.3 | F207 M209 I234 L694 R726 F728 Y850 | F207-L696 HydrophobicContact CZ-CB 4.21Å; M209-L696 HydrophobicContact CE-CD2 3.94Å; M209-L696 HydrophobicContact CE-CG 4.31Å; M209-L696 HydrophobicContact CG-CB 4.09Å; M209-L696 HydrophobicContact SD-CB 4.28Å; M209-L696 HydrophobicContact SD-CD2 4.1Å; I234-L696 HydrophobicContact CD1-CD2 3.69Å; I234-L696 HydrophobicContact CG2-CD2 4.3Å; L694-L696 VanDerWaalsContact C-N 3.31Å; L696-R726 HydrophobicContact CD1-CB 3.73Å; L696-F728 HydrophobicContact CD1-CB 3.99Å; L696-Y850 HydrophobicContact CD2-CE1 4.03Å |
| 697 | M | 95.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 116.7 | 162.6 | 176.7 | 55.1 | 67.7 | 0 | 0 | 108.9 | C210 L694 W707 M711 F724 R726 I727 F728 | C210-M697 HydrophobicContact CB-CE 4.47Å; L694-M697 HydrophobicContact CD1-CE 3.46Å; L694-M697 VanDerWaalsContact CD1-CE 3.46Å; M697-W707 HydrophobicContact CE-CH2 4.46Å; M697-W707 HydrophobicContact SD-CH2 4.24Å; M697-W707 HydrophobicContact SD-CZ3 4.32Å; M697-M711 HydrophobicContact CE-CE 3.84Å; M697-M711 HydrophobicContact CE-SD 3.69Å; M697-F724 HydrophobicContact CB-CB 4.3Å; M697-F724 HydrophobicContact CB-CD1 3.57Å; M697-F724 HydrophobicContact CB-CE1 4.09Å; M697-F724 HydrophobicContact CB-CG 3.95Å; M697-F724 HydrophobicContact CE-CD1 4.38Å; M697-F724 HydrophobicContact CG-CD1 4.14Å; M697-F724 HydrophobicContact CG-CE1 4.2Å; M697-R726 PolarHBondContact N-O 3.13Å; M697-I727 HydrophobicContact CB-CG2 4.41Å; M697-I727 HydrophobicContact CG-CG2 4.46Å; M697-I727 CarbonylContact O-C 3.59Å; M697-I727 VanDerWaalsContact O-CA 3.29Å; M697-I727 WeakPolarHBondContact O-CA 3.07Å; M697-F728 PolarHBondContact O-N 2.72Å |
| 698 | E | 94.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 131.4 | 174.2 | -177.7 | -95.9 | 171.5 | 0 | 0 | 109.3 | M209 P212 M227 I230 F728 H730 | M209-E698 HydrophobicContact CE-CB 3.85Å; P212-E698 WeakPolarHBondContact CD-O 3.22Å; P212-E698 WeakPolarHBondContact CG-O 3.33Å; M227-E698 WeakPolarHBondContact CG-OE2 3.49Å; I230-E698 HydrophobicContact CG2-CG 3.85Å; E698-F728 WeakPolarHBondContact CA-O 3.43Å; E698-F728 HydrophobicContact CG-CD1 3.68Å; E698-F728 HydrophobicContact CG-CE1 4.47Å; E698-H730 IonicContact OE1-CD2 3.62Å; E698-H730 PolarHBondContact OE1-CD2 3.22Å; E698-H730 IonicContact OE1-CG 3.78Å; E698-H730 IonicContact OE1-NE2 3.95Å |
| 699 | T | 94.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | 167 | 178.9 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | I703 V708 F728 F729 H730 | T699-I703 VanDerWaalsContact OG1-CD1 3.29Å; T699-I703 WeakPolarHBondContact OG1-CD1 3.46Å; T699-I703 WeakPolarHBondContact OG1-CG1 3.41Å; T699-V708 HydrophobicContact CG2-CG2 3.78Å; T699-F728 PolarHBondContact N-O 3.09Å; T699-F729 HydrophobicContact CG2-CD1 3.81Å; T699-F729 HydrophobicContact CG2-CE1 3.64Å; T699-F729 VanDerWaalsContact O-CA 3.23Å; T699-F729 WeakPolarHBondContact O-CA 3.41Å; T699-H730 PolarHBondContact O-CD2 3.04Å; T699-H730 VanDerWaalsContact O-CD2 3.31Å; T699-H730 PolarHBondContact O-N 3.34Å |
| 700 | G | 91.7 | Very high | 90.6 | Very high | 7 Ų | 7 | 20.9 Ų | 20.9 | 7% | 0.072 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 144.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D702 H730 | G700-D702 PolarHBondContact O-N 2.85Å; G700-H730 WeakPolarHBondContact CA-O 3.49Å; G700-H730 PolarHBondContact N-NE2 3.1Å; G700-H730 VanDerWaalsContact N-NE2 3.12Å |
| 701 | H | 90 | Very high | 91.1 | Very high | 49 Ų | 49 | 15.4 Ų | 15.4 | 23% | 0.227 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -63.3 | -19.3 | 178.9 | 62 | 37.7 | 0 | 0 | 0 | 113.9 | M576 I703 L704 F729 H730 D780 | M576-H701 HydrophobicContact CE-CB 3.61Å; M576-H701 HydrophobicContact SD-CB 3.95Å; H701-I703 VanDerWaalsContact C-N 3.27Å; H701-I703 PolarHBondContact O-N 2.98Å; H701-L704 WeakPolarHBondContact O-CB 3.48Å; H701-L704 PolarHBondContact O-N 3.14Å; H701-F729 HydrophobicContact CB-CB 4.11Å; H701-F729 HydrophobicContact CB-CD1 4.4Å; H701-F729 HydrophobicContact CB-CG 4.45Å; H701-H730 PolarHBondContact N-O 3.38Å; H701-D780 PolarHBondContact NE2-O 3.19Å |
| 702 | D | 84.8 | Confident | 91.5 | Very high | 62 Ų | 62 | 15 Ų | 15 | 33% | 0.332 | 8% | 0.084 | S | C | . | . | G | 310 helix | trans | -76.4 | -11.9 | -171.8 | 65.8 | -30.2 | 0 | 0 | 0 | 114.2 | G700 M732 K740 | G700-D702 PolarHBondContact O-N 2.85Å; D702-M732 HydrophobicContact CB-SD 4.25Å; D702-M732 WeakPolarHBondContact OD2-CE 3.36Å; D702-K740 IonicContact OD2-NZ 3.07Å; D702-K740 PolarHBondContact OD2-NZ 3.15Å |
| 703 | I | 88.4 | Confident | 91.7 | Very high | 37 Ų | 37 | 15.2 Ų | 15.2 | 19% | 0.19 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -112.2 | 14.7 | 175.2 | 65 | 178.8 | 0 | 0 | 0 | 113.4 | W667 T699 H701 G705 L706 W707 V708 | W667-I703 HydrophobicContact CH2-CB 4.25Å; W667-I703 HydrophobicContact CH2-CG2 3.91Å; T699-I703 VanDerWaalsContact OG1-CD1 3.29Å; T699-I703 WeakPolarHBondContact OG1-CD1 3.46Å; T699-I703 WeakPolarHBondContact OG1-CG1 3.41Å; H701-I703 VanDerWaalsContact C-N 3.27Å; H701-I703 PolarHBondContact O-N 2.98Å; I703-G705 PolarHBondContact O-N 3.24Å; I703-L706 PolarHBondContact O-N 3.4Å; I703-W707 HydrophobicContact CB-CB 4.35Å; I703-W707 HydrophobicContact CD1-CD2 4.32Å; I703-W707 HydrophobicContact CD1-CE3 3.42Å; I703-W707 VanDerWaalsContact CD1-CE3 3.42Å; I703-W707 HydrophobicContact CD1-CZ3 4.03Å; I703-W707 HydrophobicContact CG1-CE3 4.12Å; I703-W707 WeakPolarHBondContact O-CB 3.48Å; I703-W707 PolarHBondContact O-N 3.37Å; I703-V708 PolarHBondContact O-N 3.18Å |
| 704 | L | 89.5 | Confident | 91.9 | Very high | 4 Ų | 4 | 12.4 Ų | 12.4 | 2% | 0.021 | 7% | 0.067 | C | C | . | . | I | π-helix | trans | -51.1 | -55.4 | 176.6 | -179.1 | 158.8 | 0 | 0 | 0 | 111.7 | M576 E579 W580 W583 H701 V708 T709 F729 | M576-L704 HydrophobicContact CE-CB 4.48Å; M576-L704 HydrophobicContact CE-CD1 3.3Å; E579-L704 HydrophobicContact CB-CD1 4.26Å; W580-L704 HydrophobicContact CE3-CD2 4.2Å; W580-L704 HydrophobicContact CE3-CG 4.32Å; W583-L704 HydrophobicContact CB-CD2 4.41Å; W583-L704 HydrophobicContact CG-CD2 4.23Å; H701-L704 WeakPolarHBondContact O-CB 3.48Å; H701-L704 PolarHBondContact O-N 3.14Å; L704-V708 WeakPolarHBondContact O-CB 3.23Å; L704-V708 PolarHBondContact O-N 3.05Å; L704-V708 VanDerWaalsContact O-N 3.08Å; L704-T709 HydrophobicContact CD2-CG2 3.77Å; L704-T709 PolarHBondContact O-N 3.04Å; L704-T709 PolarHBondContact O-OG1 2.72Å; L704-F729 HydrophobicContact CB-CE1 3.86Å; L704-F729 HydrophobicContact CB-CZ 3.87Å; L704-F729 HydrophobicContact CD1-CD2 4.26Å; L704-F729 HydrophobicContact CD1-CE1 4.15Å; L704-F729 HydrophobicContact CD1-CE2 3.54Å; L704-F729 HydrophobicContact CD1-CZ 3.47Å; L704-F729 VanDerWaalsContact CD1-CZ 3.47Å; L704-F729 HydrophobicContact CG-CE1 4.09Å; L704-F729 HydrophobicContact CG-CE2 4.14Å; L704-F729 HydrophobicContact CG-CZ 3.55Å |
| 705 | G | 81.1 | Confident | 91.9 | Very high | 4 Ų | 4 | 12.4 Ų | 12.4 | 4% | 0.041 | 7% | 0.067 | C | C | . | . | I | π-helix | trans | -78.2 | -31.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I703 T709 | I703-G705 PolarHBondContact O-N 3.24Å; G705-T709 WeakPolarHBondContact CA-OG1 3.48Å; G705-T709 PolarHBondContact O-OG1 3.36Å |
| 706 | L | 83 | Confident | 92 | Very high | 16 Ų | 16 | 11.2 Ų | 11.2 | 8% | 0.084 | 6% | 0.058 | C | C | . | . | I | π-helix | trans | -77.1 | -26.8 | -177.6 | -72.6 | 173.5 | 0 | 0 | 0 | 113.3 | A358 W667 I703 R710 | A358-L706 HydrophobicContact CB-CD2 3.34Å; A358-L706 HydrophobicContact CB-CG 4.38Å; W667-L706 HydrophobicContact CD2-CB 4.1Å; W667-L706 VanDerWaalsContact CD2-O 3.32Å; W667-L706 HydrophobicContact CE3-CB 4.41Å; W667-L706 HydrophobicContact CH2-CB 4.18Å; W667-L706 HydrophobicContact CZ2-CB 3.83Å; W667-L706 HydrophobicContact CZ2-CD1 3.9Å; W667-L706 HydrophobicContact CZ2-CG 4.4Å; W667-L706 HydrophobicContact CZ3-CB 4.47Å; I703-L706 PolarHBondContact O-N 3.4Å; L706-R710 WeakPolarHBondContact O-CD 3.48Å; L706-R710 PolarHBondContact O-NH1 2.99Å |
| 707 | W | 92.1 | Very high | 92 | Very high | 4 Ų | 4 | 12.9 Ų | 12.9 | 2% | 0.015 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -132 | -55.6 | -171.5 | -167.5 | 32.7 | 0 | 0 | 0 | 112.7 | P212 W667 S670 I673 M697 I703 R710 M711 | P212-W707 HydrophobicContact CB-CH2 3.88Å; P212-W707 HydrophobicContact CB-CZ3 3.66Å; P212-W707 HydrophobicContact CG-CH2 4.26Å; P212-W707 HydrophobicContact CG-CZ3 3.99Å; W667-W707 HydrophobicContact CE3-CB 3.68Å; W667-W707 AromaticContact CE3-CD1 3.94Å; W667-W707 AromaticContact CE3-CG 3.92Å; W667-W707 HydrophobicContact CE3-CG 3.92Å; W667-W707 HydrophobicContact CH2-CB 4.45Å; W667-W707 HydrophobicContact CZ3-CB 3.49Å; W667-W707 VanDerWaalsContact CZ3-CB 3.49Å; W667-W707 HydrophobicContact CZ3-CD2 4.44Å; W667-W707 AromaticContact CZ3-CG 3.74Å; W667-W707 HydrophobicContact CZ3-CG 3.74Å; S670-W707 PolarHBondContact O-NE1 2.97Å; I673-W707 HydrophobicContact CD1-CZ2 3.7Å; M697-W707 HydrophobicContact CE-CH2 4.46Å; M697-W707 HydrophobicContact SD-CH2 4.24Å; M697-W707 HydrophobicContact SD-CZ3 4.32Å; I703-W707 HydrophobicContact CB-CB 4.35Å; I703-W707 HydrophobicContact CD1-CD2 4.32Å; I703-W707 HydrophobicContact CD1-CE3 3.42Å; I703-W707 VanDerWaalsContact CD1-CE3 3.42Å; I703-W707 HydrophobicContact CD1-CZ3 4.03Å; I703-W707 HydrophobicContact CG1-CE3 4.12Å; I703-W707 WeakPolarHBondContact O-CB 3.48Å; I703-W707 PolarHBondContact O-N 3.37Å; W707-R710 PolarHBondContact O-N 3.07Å; W707-M711 HydrophobicContact CD2-CE 3.84Å; W707-M711 HydrophobicContact CE3-CE 4.46Å; W707-M711 HydrophobicContact CG-CE 4.27Å; W707-M711 HydrophobicContact CH2-CE 3.99Å; W707-M711 HydrophobicContact CZ2-CE 3.32Å; W707-M711 VanDerWaalsContact NE1-CE 3.31Å; W707-M711 WeakPolarHBondContact O-CB 3.18Å; W707-M711 PolarHBondContact O-N 3.19Å |
| 708 | V | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | I | π-helix | trans | -71.2 | -42 | -166.3 | -167.3 | 0 | 0 | 0 | 0 | 112.1 | W580 T699 I703 L704 M711 A712 F724 I727 F729 | W580-V708 HydrophobicContact CZ3-CB 4.33Å; W580-V708 HydrophobicContact CZ3-CG1 3.87Å; T699-V708 HydrophobicContact CG2-CG2 3.78Å; I703-V708 PolarHBondContact O-N 3.18Å; L704-V708 WeakPolarHBondContact O-CB 3.23Å; L704-V708 PolarHBondContact O-N 3.05Å; L704-V708 VanDerWaalsContact O-N 3.08Å; V708-M711 PolarHBondContact O-N 3.5Å; V708-A712 PolarHBondContact O-N 3.2Å; V708-F724 HydrophobicContact CG1-CE1 3.89Å; V708-F724 HydrophobicContact CG1-CE2 4.33Å; V708-F724 HydrophobicContact CG1-CZ 3.46Å; V708-F724 VanDerWaalsContact CG1-CZ 3.46Å; V708-I727 HydrophobicContact CG1-CD1 3.9Å; V708-I727 HydrophobicContact CG1-CG2 4.33Å; V708-F729 HydrophobicContact CB-CZ 4.38Å; V708-F729 HydrophobicContact CG1-CZ 4.24Å; V708-F729 HydrophobicContact CG2-CE1 3.98Å; V708-F729 HydrophobicContact CG2-CZ 4.27Å |
| 709 | T | 92.2 | Very high | 91.9 | Very high | 4 Ų | 4 | 14.9 Ų | 14.9 | 3% | 0.025 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.6 | -42 | 174.7 | 54.4 | 0 | 0 | 0 | 0 | 111.7 | W580 W583 L584 L704 G705 A712 M713 | W580-T709 HydrophobicContact CD2-CG2 4.05Å; W580-T709 HydrophobicContact CE3-CG2 3.72Å; W580-T709 HydrophobicContact CH2-CG2 4.11Å; W580-T709 HydrophobicContact CZ2-CG2 4.41Å; W580-T709 HydrophobicContact CZ3-CG2 3.75Å; W583-T709 HydrophobicContact CB-CG2 4.29Å; L584-T709 HydrophobicContact CD2-CG2 4.31Å; L584-T709 HydrophobicContact CG-CG2 4.37Å; L704-T709 HydrophobicContact CD2-CG2 3.77Å; L704-T709 PolarHBondContact O-N 3.04Å; L704-T709 PolarHBondContact O-OG1 2.72Å; G705-T709 WeakPolarHBondContact CA-OG1 3.48Å; G705-T709 PolarHBondContact O-OG1 3.36Å; T709-A712 WeakPolarHBondContact O-CB 3.45Å; T709-A712 PolarHBondContact O-N 3.45Å; T709-M713 WeakPolarHBondContact O-CG 3.41Å; T709-M713 PolarHBondContact O-N 3.32Å |
| 710 | R | 92.3 | Very high | 91.8 | Very high | 23 Ų | 23 | 20 Ų | 20 | 9% | 0.087 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.2 | -39.6 | 176.7 | -73.3 | 166.9 | 172.9 | 179.1 | -1.6 | 112.1 | W590 D665 A671 L706 W707 A712 M713 L714 | W590-R710 VanDerWaalsContact CE2-CZ 3.44Å; W590-R710 HydrophobicContact CE3-CG 4.12Å; W590-R710 HydrophobicContact CH2-CB 4.25Å; W590-R710 HydrophobicContact CH2-CG 4.11Å; W590-R710 HydrophobicContact CZ3-CB 4Å; W590-R710 HydrophobicContact CZ3-CG 3.75Å; D665-R710 IonicContact OD2-NH1 3.66Å; A671-R710 HydrophobicContact CB-CB 4.15Å; L706-R710 WeakPolarHBondContact O-CD 3.48Å; L706-R710 PolarHBondContact O-NH1 2.99Å; W707-R710 PolarHBondContact O-N 3.07Å; R710-A712 VanDerWaalsContact C-N 3.31Å; R710-A712 PolarHBondContact O-N 3.24Å; R710-M713 HydrophobicContact CB-CE 4.35Å; R710-M713 HydrophobicContact CG-CE 3.79Å; R710-M713 PolarHBondContact O-N 3.44Å; R710-L714 WeakPolarHBondContact O-CB 3.25Å; R710-L714 WeakPolarHBondContact O-CG 3.04Å; R710-L714 PolarHBondContact O-N 3.2Å |
| 711 | M | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 173 | -175.6 | -170.3 | -63.5 | 0 | 0 | 111.1 | A671 P674 M697 W707 V708 S715 P723 F724 | A671-M711 HydrophobicContact CB-CB 4.4Å; A671-M711 WeakPolarHBondContact O-CA 3.49Å; A671-M711 WeakPolarHBondContact O-CG 3.05Å; P674-M711 HydrophobicContact CG-CE 4.2Å; P674-M711 HydrophobicContact CG-CG 3.6Å; P674-M711 HydrophobicContact CG-SD 3.25Å; P674-M711 WeakPolarHBondContact CG-SD 3.2Å; M697-M711 HydrophobicContact CE-CE 3.84Å; M697-M711 HydrophobicContact CE-SD 3.69Å; W707-M711 HydrophobicContact CD2-CE 3.84Å; W707-M711 HydrophobicContact CE3-CE 4.46Å; W707-M711 HydrophobicContact CG-CE 4.27Å; W707-M711 HydrophobicContact CH2-CE 3.99Å; W707-M711 HydrophobicContact CZ2-CE 3.32Å; W707-M711 VanDerWaalsContact NE1-CE 3.31Å; W707-M711 WeakPolarHBondContact O-CB 3.18Å; W707-M711 PolarHBondContact O-N 3.19Å; V708-M711 PolarHBondContact O-N 3.5Å; M711-S715 WeakPolarHBondContact O-CB 3.49Å; M711-S715 PolarHBondContact O-N 2.96Å; M711-S715 PolarHBondContact O-OG 3.13Å; M711-P723 HydrophobicContact CG-CB 4.21Å; M711-P723 HydrophobicContact CG-CG 4.09Å; M711-P723 HydrophobicContact SD-CB 4.44Å; M711-F724 HydrophobicContact CG-CE1 4.41Å; M711-F724 HydrophobicContact SD-CD1 4.17Å; M711-F724 HydrophobicContact SD-CE1 3.62Å |
| 712 | A | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.1 | -47 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T562 W580 V708 T709 R710 L716 P723 F724 | T562-A712 HydrophobicContact CG2-CB 3.76Å; W580-A712 HydrophobicContact CH2-CB 3.85Å; W580-A712 HydrophobicContact CZ2-CB 4.17Å; V708-A712 PolarHBondContact O-N 3.2Å; T709-A712 WeakPolarHBondContact O-CB 3.45Å; T709-A712 PolarHBondContact O-N 3.45Å; R710-A712 VanDerWaalsContact C-N 3.31Å; R710-A712 PolarHBondContact O-N 3.24Å; A712-L716 WeakPolarHBondContact O-CB 3.25Å; A712-L716 PolarHBondContact O-N 3.24Å; A712-P723 HydrophobicContact CB-CG 4.35Å; A712-F724 HydrophobicContact CB-CZ 4.35Å |
| 713 | M | 94.5 | Very high | 92.5 | Very high | 14 Ų | 14 | 19.4 Ų | 19.4 | 7% | 0.069 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.5 | -52.7 | 177.6 | -74.8 | -169.3 | -62.9 | 0 | 0 | 112.2 | M558 A559 T562 L584 T709 R710 L716 Q717 | M558-M713 HydrophobicContact CB-CB 3.95Å; M558-M713 HydrophobicContact CB-CG 4.01Å; M558-M713 HydrophobicContact CB-SD 4.09Å; M558-M713 HydrophobicContact SD-CB 4.38Å; A559-M713 HydrophobicContact CB-SD 3.96Å; T562-M713 WeakPolarHBondContact OG1-CG 3.25Å; L584-M713 HydrophobicContact CD2-CG 4.45Å; L584-M713 HydrophobicContact CD2-SD 4.22Å; T709-M713 WeakPolarHBondContact O-CG 3.41Å; T709-M713 PolarHBondContact O-N 3.32Å; R710-M713 HydrophobicContact CB-CE 4.35Å; R710-M713 HydrophobicContact CG-CE 3.79Å; R710-M713 PolarHBondContact O-N 3.44Å; M713-L716 PolarHBondContact O-N 3.46Å; M713-Q717 WeakPolarHBondContact O-CB 3.35Å; M713-Q717 PolarHBondContact O-N 3.36Å |
| 714 | L | 95.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.8 | -43.1 | -177.8 | -68.6 | -171.7 | 0 | 0 | 0 | 112.1 | L332 L553 M558 W590 F668 A671 L672 R710 L716 Q717 L718 | L332-L714 HydrophobicContact CD1-CD2 3.99Å; L553-L714 HydrophobicContact CD2-CD2 3.88Å; M558-L714 HydrophobicContact SD-CD2 4.39Å; W590-L714 HydrophobicContact CZ3-CD1 4.47Å; F668-L714 HydrophobicContact CD2-CD1 4.12Å; F668-L714 HydrophobicContact CE2-CD1 4.19Å; A671-L714 HydrophobicContact CB-CD1 3.65Å; A671-L714 HydrophobicContact CB-CG 4.44Å; L672-L714 HydrophobicContact CD2-CB 4.35Å; L672-L714 HydrophobicContact CD2-CD1 4.03Å; R710-L714 WeakPolarHBondContact O-CB 3.25Å; R710-L714 WeakPolarHBondContact O-CG 3.04Å; R710-L714 PolarHBondContact O-N 3.2Å; L714-L716 VanDerWaalsContact C-N 3.32Å; L714-L716 PolarHBondContact O-N 3.06Å; L714-Q717 PolarHBondContact O-N 2.89Å; L714-L718 VanDerWaalsContact O-CB 3.32Å; L714-L718 WeakPolarHBondContact O-CB 3.34Å; L714-L718 VanDerWaalsContact O-CG 3.26Å; L714-L718 WeakPolarHBondContact O-CG 3.39Å; L714-L718 PolarHBondContact O-N 3.26Å |
| 715 | S | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.6 | -42.9 | 178 | -63.2 | 0 | 0 | 0 | 0 | 111.5 | M711 T719 R721 | M711-S715 WeakPolarHBondContact O-CB 3.49Å; M711-S715 PolarHBondContact O-N 2.96Å; M711-S715 PolarHBondContact O-OG 3.13Å; S715-T719 PolarHBondContact O-N 2.95Å; S715-T719 PolarHBondContact O-OG1 3.36Å; S715-R721 CarbonylContact C-O 3.58Å |
| 716 | L | 94.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 25.4 Ų | 25.4 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.2 | -38.4 | 177.8 | -171.7 | 65.3 | 0 | 0 | 0 | 112 | R561 L565 A712 M713 L714 N720 R721 | R561-L716 HydrophobicContact CB-CD2 3.71Å; L565-L716 HydrophobicContact CD1-CD1 3.59Å; L565-L716 HydrophobicContact CD1-CD2 3.73Å; L565-L716 HydrophobicContact CD1-CG 4.34Å; A712-L716 WeakPolarHBondContact O-CB 3.25Å; A712-L716 PolarHBondContact O-N 3.24Å; M713-L716 PolarHBondContact O-N 3.46Å; L714-L716 VanDerWaalsContact C-N 3.32Å; L714-L716 PolarHBondContact O-N 3.06Å; L716-N720 WeakPolarHBondContact O-CA 3.46Å; L716-N720 PolarHBondContact O-N 2.9Å; L716-N720 PolarHBondContact O-OD1 3.27Å; L716-R721 PolarHBondContact N-O 3.27Å |
| 717 | Q | 95.7 | Very high | 94.2 | Very high | 35 Ų | 35 | 24.7 Ų | 24.7 | 16% | 0.164 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.6 | -43.3 | 177.3 | -176.1 | 58 | 27.4 | 0 | 0 | 112.2 | L332 D335 L337 M558 R561 M713 L714 | L332-Q717 HydrophobicContact CD2-CG 3.7Å; D335-Q717 PolarHBondContact OD2-NE2 2.99Å; L337-Q717 HydrophobicContact CD1-CG 3.78Å; M558-Q717 HydrophobicContact CG-CB 4.09Å; M558-Q717 HydrophobicContact CG-CG 4.28Å; M558-Q717 HydrophobicContact SD-CB 3.62Å; M558-Q717 HydrophobicContact SD-CG 3.85Å; R561-Q717 VanDerWaalsContact NH1-OE1 3.08Å; M713-Q717 WeakPolarHBondContact O-CB 3.35Å; M713-Q717 PolarHBondContact O-N 3.36Å; L714-Q717 PolarHBondContact O-N 2.89Å |
| 718 | L | 95.2 | Very high | 94.4 | Very high | 16 Ų | 16 | 24.5 Ų | 24.5 | 8% | 0.084 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -81.6 | -25.1 | -173.9 | -65.9 | 170.3 | 0 | 0 | 0 | 113.8 | A328 R331 L332 L672 L675 L714 | A328-L718 HydrophobicContact CB-CD1 3.85Å; A328-L718 HydrophobicContact CB-CD2 4.45Å; R331-L718 HydrophobicContact CB-CD2 3.95Å; L332-L718 HydrophobicContact CD2-CD2 4.39Å; L332-L718 HydrophobicContact CG-CD2 4.28Å; L672-L718 HydrophobicContact CD2-CD1 3.57Å; L675-L718 HydrophobicContact CD1-CB 4.21Å; L675-L718 HydrophobicContact CD1-CD1 3.79Å; L714-L718 VanDerWaalsContact O-CB 3.32Å; L714-L718 WeakPolarHBondContact O-CB 3.34Å; L714-L718 VanDerWaalsContact O-CG 3.26Å; L714-L718 WeakPolarHBondContact O-CG 3.39Å; L714-L718 PolarHBondContact O-N 3.26Å |
| 719 | T | 92.9 | Very high | 94.5 | Very high | 28 Ų | 28 | 24.6 Ų | 24.6 | 17% | 0.172 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -131.8 | -5.9 | -173.7 | 72.2 | 0 | 0 | 0 | 0 | 115.2 | L675 W684 S715 R721 | L675-T719 HydrophobicContact CD1-CG2 4.4Å; L675-T719 HydrophobicContact CD2-CG2 3.48Å; L675-T719 VanDerWaalsContact CD2-CG2 3.48Å; W684-T719 HydrophobicContact CH2-CG2 4.01Å; W684-T719 HydrophobicContact CZ2-CG2 3.97Å; S715-T719 PolarHBondContact O-N 2.95Å; S715-T719 PolarHBondContact O-OG1 3.36Å; T719-R721 PolarHBondContact O-N 3.01Å; T719-R721 VanDerWaalsContact O-N 3.15Å; T719-R721 PolarHBondContact OG1-N 2.87Å; T719-R721 PolarHBondContact OG1-O 2.92Å |
| 720 | N | 92.6 | Very high | 94.5 | Very high | 111 Ų | 111 | 24.9 Ų | 24.9 | 59% | 0.594 | 12% | 0.12 | S | C | * | . | S | Bend | trans | 57.7 | 17.2 | -170.5 | -71.4 | -30.7 | 0 | 0 | 0 | 115 | R561 L716 | R561-N720 PolarHBondContact NH2-OD1 3.33Å; L716-N720 WeakPolarHBondContact O-CA 3.46Å; L716-N720 PolarHBondContact O-N 2.9Å; L716-N720 PolarHBondContact O-OD1 3.27Å |
| 721 | R | 92.6 | Very high | 94.4 | Very high | 80 Ų | 80 | 23.9 Ų | 23.9 | 30% | 0.302 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -124.1 | 144.9 | 175.2 | -58.3 | -164.3 | -49.5 | -168.2 | 2.3 | 111 | W684 N688 F692 S715 L716 T719 | W684-R721 VanDerWaalsContact CH2-NH2 3.3Å; W684-R721 VanDerWaalsContact CZ2-NH2 3.25Å; N688-R721 PolarHBondContact OD1-NH1 3.35Å; N688-R721 PolarHBondContact OD1-NH2 3.31Å; F692-R721 HydrophobicContact CD1-CB 4.45Å; F692-R721 HydrophobicContact CE1-CB 3.6Å; F692-R721 HydrophobicContact CZ-CB 4.43Å; F692-R721 PolarHBondContact O-NH2 3.28Å; S715-R721 CarbonylContact C-O 3.58Å; L716-R721 PolarHBondContact N-O 3.27Å; T719-R721 PolarHBondContact O-N 3.01Å; T719-R721 VanDerWaalsContact O-N 3.15Å; T719-R721 PolarHBondContact OG1-N 2.87Å; T719-R721 PolarHBondContact OG1-O 2.92Å |
| 722 | L | 94.5 | Very high | 94.1 | Very high | 24 Ų | 24 | 25.5 Ų | 25.5 | 13% | 0.126 | 12% | 0.124 | C | C | . | . | trans | -70.3 | 145.9 | 171.5 | -72.1 | 172.4 | 0 | 0 | 0 | 110.1 | L565 R568 I569 F692 P693 F724 | L565-L722 HydrophobicContact CB-CD1 4.07Å; L565-L722 HydrophobicContact CB-CD2 4.47Å; L565-L722 HydrophobicContact CD1-CD1 4.35Å; L565-L722 HydrophobicContact CD1-CD2 4.21Å; L565-L722 HydrophobicContact CD1-CG 4.12Å; R568-L722 HydrophobicContact CB-CD1 4.24Å; I569-L722 HydrophobicContact CD1-CD1 3.96Å; I569-L722 HydrophobicContact CD1-CD2 4.07Å; I569-L722 HydrophobicContact CG1-CD1 3.7Å; F692-L722 WeakPolarHBondContact CE1-O 3.29Å; F692-L722 WeakPolarHBondContact CZ-O 3.49Å; P693-L722 WeakPolarHBondContact CB-O 3.46Å; L722-F724 VanDerWaalsContact C-N 3.3Å; L722-F724 PolarHBondContact O-N 2.92Å | ||
| 723 | P | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -74.8 | -18.9 | -179.4 | 28.4 | -32.5 | 0 | 0 | 0 | 114 | P674 F692 P693 L694 M711 A712 | P674-P723 HydrophobicContact CB-CB 3.91Å; P674-P723 HydrophobicContact CG-CB 3.84Å; F692-P723 HydrophobicContact CE2-CB 4.12Å; F692-P723 VanDerWaalsContact CZ-CA 3.49Å; F692-P723 HydrophobicContact CZ-CB 4.21Å; P693-P723 WeakPolarHBondContact CB-O 3.38Å; L694-P723 WeakPolarHBondContact CB-O 3.07Å; L694-P723 PolarHBondContact N-O 3.06Å; M711-P723 HydrophobicContact CG-CB 4.21Å; M711-P723 HydrophobicContact CG-CG 4.09Å; M711-P723 HydrophobicContact SD-CB 4.44Å; A712-P723 HydrophobicContact CB-CG 4.35Å |
| 724 | F | 95.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.009 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -154.8 | 157.7 | 179.9 | 39.9 | -108.4 | 0 | 0 | 0 | 109.7 | I569 W580 L694 M697 V708 M711 A712 L722 I727 | I569-F724 HydrophobicContact CG2-CD2 4.42Å; I569-F724 HydrophobicContact CG2-CE2 4.42Å; W580-F724 HydrophobicContact CH2-CE2 4.41Å; W580-F724 HydrophobicContact CH2-CZ 4.43Å; L694-F724 HydrophobicContact CB-CB 4.19Å; L694-F724 WeakPolarHBondContact O-CA 3.29Å; M697-F724 HydrophobicContact CB-CB 4.3Å; M697-F724 HydrophobicContact CB-CD1 3.57Å; M697-F724 HydrophobicContact CB-CE1 4.09Å; M697-F724 HydrophobicContact CB-CG 3.95Å; M697-F724 HydrophobicContact CE-CD1 4.38Å; M697-F724 HydrophobicContact CG-CD1 4.14Å; M697-F724 HydrophobicContact CG-CE1 4.2Å; V708-F724 HydrophobicContact CG1-CE1 3.89Å; V708-F724 HydrophobicContact CG1-CE2 4.33Å; V708-F724 HydrophobicContact CG1-CZ 3.46Å; V708-F724 VanDerWaalsContact CG1-CZ 3.46Å; M711-F724 HydrophobicContact CG-CE1 4.41Å; M711-F724 HydrophobicContact SD-CD1 4.17Å; M711-F724 HydrophobicContact SD-CE1 3.62Å; A712-F724 HydrophobicContact CB-CZ 4.35Å; L722-F724 VanDerWaalsContact C-N 3.3Å; L722-F724 PolarHBondContact O-N 2.92Å; F724-I727 HydrophobicContact CD2-CD1 3.93Å; F724-I727 HydrophobicContact CD2-CG1 3.57Å; F724-I727 HydrophobicContact CE2-CD1 3.32Å; F724-I727 HydrophobicContact CE2-CG1 3.52Å; F724-I727 HydrophobicContact CG-CG1 4.37Å; F724-I727 HydrophobicContact CZ-CD1 3.89Å; F724-I727 HydrophobicContact CZ-CG1 4.24Å |
| 725 | S | 91.9 | Very high | 92.4 | Very high | 52 Ų | 52 | 31 Ų | 31 | 36% | 0.364 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -104.8 | -16.6 | 170.8 | 60.8 | 0 | 0 | 0 | 0 | 113 | I569 H570 | I569-S725 WeakPolarHBondContact CA-O 3.46Å; H570-S725 PolarHBondContact N-O 2.96Å |
| 726 | R | 95.1 | Very high | 91.2 | Very high | 118 Ų | 118 | 36.5 Ų | 36.5 | 45% | 0.445 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 141.2 | 178.4 | -56.1 | -172.4 | -173.8 | 171.8 | 3.1 | 111.2 | H570 L696 M697 | H570-R726 HydrophobicContact CB-CG 4.21Å; H570-R726 CarbonylContact O-C 3.55Å; H570-R726 VanDerWaalsContact O-CA 3.3Å; H570-R726 WeakPolarHBondContact O-CA 3.46Å; L696-R726 HydrophobicContact CD1-CB 3.73Å; M697-R726 PolarHBondContact N-O 3.13Å |
| 727 | I | 95.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 131.1 | 174.5 | -43 | 175 | 0 | 0 | 0 | 108.8 | I569 H570 I571 L572 W580 M697 V708 F724 F729 | I569-I727 HydrophobicContact CG2-CD1 3.75Å; I569-I727 HydrophobicContact CG2-CG1 3.85Å; H570-I727 PolarHBondContact O-N 3.44Å; I571-I727 HydrophobicContact CD1-CD1 4.37Å; I571-I727 HydrophobicContact CG1-CD1 4.1Å; L572-I727 PolarHBondContact N-O 3.36Å; W580-I727 HydrophobicContact CE3-CD1 4.26Å; W580-I727 HydrophobicContact CH2-CD1 4.2Å; W580-I727 HydrophobicContact CZ3-CD1 3.72Å; M697-I727 HydrophobicContact CB-CG2 4.41Å; M697-I727 HydrophobicContact CG-CG2 4.46Å; M697-I727 CarbonylContact O-C 3.59Å; M697-I727 VanDerWaalsContact O-CA 3.29Å; M697-I727 WeakPolarHBondContact O-CA 3.07Å; V708-I727 HydrophobicContact CG1-CD1 3.9Å; V708-I727 HydrophobicContact CG1-CG2 4.33Å; F724-I727 HydrophobicContact CD2-CD1 3.93Å; F724-I727 HydrophobicContact CD2-CG1 3.57Å; F724-I727 HydrophobicContact CE2-CD1 3.32Å; F724-I727 HydrophobicContact CE2-CG1 3.52Å; F724-I727 HydrophobicContact CG-CG1 4.37Å; F724-I727 HydrophobicContact CZ-CD1 3.89Å; F724-I727 HydrophobicContact CZ-CG1 4.24Å; I727-F729 HydrophobicContact CB-CE2 4.22Å; I727-F729 HydrophobicContact CD1-CE2 4.47Å; I727-F729 HydrophobicContact CG2-CD1 4.39Å; I727-F729 HydrophobicContact CG2-CD2 4Å; I727-F729 HydrophobicContact CG2-CE1 3.98Å; I727-F729 HydrophobicContact CG2-CE2 3.52Å; I727-F729 HydrophobicContact CG2-CG 4.41Å; I727-F729 HydrophobicContact CG2-CZ 3.51Å |
| 728 | F | 95.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 112.6 | 171.6 | 179.7 | -105.1 | 0 | 0 | 0 | 109.7 | I230 L572 L696 M697 E698 T699 H730 P777 K778 Y850 F852 | I230-F728 HydrophobicContact CD1-CE1 4.24Å; I230-F728 HydrophobicContact CG2-CD1 4.13Å; I230-F728 HydrophobicContact CG2-CE1 3.82Å; L572-F728 HydrophobicContact CB-CD2 3.99Å; L572-F728 WeakPolarHBondContact O-CA 3.49Å; L696-F728 HydrophobicContact CD1-CB 3.99Å; M697-F728 PolarHBondContact O-N 2.72Å; E698-F728 WeakPolarHBondContact CA-O 3.43Å; E698-F728 HydrophobicContact CG-CD1 3.68Å; E698-F728 HydrophobicContact CG-CE1 4.47Å; T699-F728 PolarHBondContact N-O 3.09Å; F728-H730 HydrophobicContact CE1-CB 4.1Å; F728-P777 HydrophobicContact CZ-CB 4.27Å; F728-P777 HydrophobicContact CZ-CG 4.08Å; F728-K778 HydrophobicContact CE2-CD 4.29Å; F728-K778 HydrophobicContact CE2-CG 3.56Å; F728-K778 HydrophobicContact CZ-CG 4.02Å; F728-Y850 HydrophobicContact CD2-CD2 4.21Å; F728-Y850 HydrophobicContact CD2-CG 4.26Å; F728-Y850 HydrophobicContact CE2-CG 4.45Å; F728-F852 HydrophobicContact CE1-CE2 4.27Å; F728-F852 HydrophobicContact CZ-CE2 4.16Å |
| 729 | F | 95.3 | Very high | 88.2 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 118.8 | 175.8 | -69.6 | -66.2 | 0 | 0 | 0 | 110.5 | I571 L572 P573 M576 T699 H701 L704 V708 I727 | I571-F729 HydrophobicContact CG2-CD2 3.82Å; I571-F729 HydrophobicContact CG2-CE2 3.77Å; L572-F729 PolarHBondContact O-N 3.06Å; P573-F729 WeakPolarHBondContact CD-O 3.44Å; M576-F729 HydrophobicContact CB-CD2 3.82Å; M576-F729 HydrophobicContact CB-CE2 4.36Å; M576-F729 HydrophobicContact CE-CD2 4.28Å; M576-F729 HydrophobicContact CE-CG 4.37Å; M576-F729 HydrophobicContact CG-CB 4.1Å; M576-F729 HydrophobicContact CG-CD2 3.93Å; M576-F729 HydrophobicContact CG-CG 4.31Å; T699-F729 HydrophobicContact CG2-CD1 3.81Å; T699-F729 HydrophobicContact CG2-CE1 3.64Å; T699-F729 VanDerWaalsContact O-CA 3.23Å; T699-F729 WeakPolarHBondContact O-CA 3.41Å; H701-F729 HydrophobicContact CB-CB 4.11Å; H701-F729 HydrophobicContact CB-CD1 4.4Å; H701-F729 HydrophobicContact CB-CG 4.45Å; L704-F729 HydrophobicContact CB-CE1 3.86Å; L704-F729 HydrophobicContact CB-CZ 3.87Å; L704-F729 HydrophobicContact CD1-CD2 4.26Å; L704-F729 HydrophobicContact CD1-CE1 4.15Å; L704-F729 HydrophobicContact CD1-CE2 3.54Å; L704-F729 HydrophobicContact CD1-CZ 3.47Å; L704-F729 VanDerWaalsContact CD1-CZ 3.47Å; L704-F729 HydrophobicContact CG-CE1 4.09Å; L704-F729 HydrophobicContact CG-CE2 4.14Å; L704-F729 HydrophobicContact CG-CZ 3.55Å; V708-F729 HydrophobicContact CB-CZ 4.38Å; V708-F729 HydrophobicContact CG1-CZ 4.24Å; V708-F729 HydrophobicContact CG2-CE1 3.98Å; V708-F729 HydrophobicContact CG2-CZ 4.27Å; I727-F729 HydrophobicContact CB-CE2 4.22Å; I727-F729 HydrophobicContact CD1-CE2 4.47Å; I727-F729 HydrophobicContact CG2-CD1 4.39Å; I727-F729 HydrophobicContact CG2-CD2 4Å; I727-F729 HydrophobicContact CG2-CE1 3.98Å; I727-F729 HydrophobicContact CG2-CE2 3.52Å; I727-F729 HydrophobicContact CG2-CG 4.41Å; I727-F729 HydrophobicContact CG2-CZ 3.51Å |
| 730 | H | 94.1 | Very high | 87.5 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 5% | 0.046 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 155.4 | 172.7 | 70.6 | 77.4 | 0 | 0 | 0 | 112.1 | I230 E698 T699 G700 H701 F728 P777 | I230-H730 HydrophobicContact CD1-CB 3.9Å; E698-H730 IonicContact OE1-CD2 3.62Å; E698-H730 PolarHBondContact OE1-CD2 3.22Å; E698-H730 IonicContact OE1-CG 3.78Å; E698-H730 IonicContact OE1-NE2 3.95Å; T699-H730 PolarHBondContact O-CD2 3.04Å; T699-H730 VanDerWaalsContact O-CD2 3.31Å; T699-H730 PolarHBondContact O-N 3.34Å; G700-H730 WeakPolarHBondContact CA-O 3.49Å; G700-H730 PolarHBondContact N-NE2 3.1Å; G700-H730 VanDerWaalsContact N-NE2 3.12Å; H701-H730 PolarHBondContact N-O 3.38Å; F728-H730 HydrophobicContact CE1-CB 4.1Å; H730-P777 CarbonylContact C-O 3.6Å; H730-P777 WeakPolarHBondContact CA-O 3.38Å; H730-P777 HydrophobicContact CB-CB 4.24Å |
| 731 | G | 89.7 | Confident | 86.9 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -71.5 | 172.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P777 G779 D780 | G731-P777 PolarHBondContact N-O 2.88Å; G731-G779 WeakPolarHBondContact CA-O 3.26Å; G731-G779 PolarHBondContact N-O 2.85Å; G731-D780 WeakPolarHBondContact CA-O 3.42Å |
| 732 | M | 87.9 | Confident | 85.8 | Confident | 35 Ų | 35 | 41.9 Ų | 41.9 | 17% | 0.172 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 134.8 | -179.5 | -60.3 | -52 | -63 | 0 | 0 | 112 | D702 R734 D780 T781 V782 | D702-M732 HydrophobicContact CB-SD 4.25Å; D702-M732 WeakPolarHBondContact OD2-CE 3.36Å; M732-R734 PolarHBondContact O-N 3.31Å; M732-D780 PolarHBondContact N-O 3.37Å; M732-T781 WeakPolarHBondContact O-CA 3.35Å; M732-V782 PolarHBondContact O-N 3.32Å |
| 733 | V | 87.6 | Confident | 84.7 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.03 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 130 | 172.2 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | M222 L226 M741 V782 L784 | M222-V733 HydrophobicContact CB-CG1 3.98Å; L226-V733 HydrophobicContact CB-CG2 3.99Å; L226-V733 HydrophobicContact CD2-CG2 3.75Å; L226-V733 HydrophobicContact CG-CG2 4.49Å; V733-M741 HydrophobicContact CG1-CE 3.96Å; V733-M741 HydrophobicContact CG1-SD 4.1Å; V733-V782 WeakPolarHBondContact CA-O 3.3Å; V733-V782 HydrophobicContact CG2-CB 4.21Å; V733-V782 HydrophobicContact CG2-CG1 4.25Å; V733-L784 HydrophobicContact CG1-CB 4.37Å |
| 734 | R | 84.2 | Confident | 83.2 | Confident | 99 Ų | 99 | 50.6 Ų | 50.6 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 150.3 | 175.1 | -68.6 | -178.4 | 172 | -145.8 | 19.7 | 111 | M732 G738 Q739 T781 V782 | M732-R734 PolarHBondContact O-N 3.31Å; R734-G738 VanDerWaalsContact CD-O 3.23Å; R734-G738 WeakPolarHBondContact CD-O 3.43Å; R734-G738 PolarHBondContact NH1-O 3.3Å; R734-Q739 VanDerWaalsContact CA-O 3.24Å; R734-Q739 WeakPolarHBondContact CA-O 3.35Å; R734-Q739 WeakPolarHBondContact CB-O 3.4Å; R734-T781 HydrophobicContact CG-CG2 4.39Å; R734-V782 PolarHBondContact N-O 3.48Å |
| 735 | D | 79.3 | Confident | 81.9 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 13% | 0.134 | 30% | 0.296 | C | S | . | . | trans | -73.2 | -177.7 | 172.5 | 66.2 | 17.5 | 0 | 0 | 0 | 112 | E737 G738 Q739 M741 N747 | D735-E737 PolarHBondContact O-N 2.88Å; D735-E737 WeakPolarHBondContact OD1-CA 3.43Å; D735-E737 PolarHBondContact OD1-N 3.45Å; D735-G738 PolarHBondContact O-N 2.93Å; D735-G738 PolarHBondContact OD1-N 2.94Å; D735-G738 VanDerWaalsContact OD1-N 3.15Å; D735-Q739 PolarHBondContact N-O 2.99Å; D735-Q739 WeakPolarHBondContact OD1-CB 3.48Å; D735-Q739 PolarHBondContact OD1-N 3.39Å; D735-M741 HydrophobicContact CB-CE 4.24Å; D735-N747 WeakPolarHBondContact OD2-CB 3.29Å; D735-N747 PolarHBondContact OD2-ND2 3.44Å | ||
| 736 | S | 70.7 | Confident | 81 | Confident | 117 Ų | 117 | 58.4 Ų | 58.4 | 82% | 0.818 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.5 | 179.5 | 50 | 0 | 0 | 0 | 0 | 114.3 | ||
| 737 | E | 73.6 | Confident | 80.4 | Confident | 158 Ų | 158 | 54.4 Ų | 54.4 | 74% | 0.738 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 4.1 | 176.8 | -61.2 | -175.3 | -180 | 0 | 0 | 112.2 | D735 Q739 | D735-E737 PolarHBondContact O-N 2.88Å; D735-E737 WeakPolarHBondContact OD1-CA 3.43Å; D735-E737 PolarHBondContact OD1-N 3.45Å; E737-Q739 VanDerWaalsContact C-N 3.26Å; E737-Q739 HydrophobicContact CB-CG 4.26Å; E737-Q739 PolarHBondContact O-N 2.87Å |
| 738 | G | 74.4 | Confident | 79.8 | Confident | 26 Ų | 26 | 56.4 Ų | 56.4 | 27% | 0.268 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 72.4 | 18.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R734 D735 | R734-G738 VanDerWaalsContact CD-O 3.23Å; R734-G738 WeakPolarHBondContact CD-O 3.43Å; R734-G738 PolarHBondContact NH1-O 3.3Å; D735-G738 PolarHBondContact O-N 2.93Å; D735-G738 PolarHBondContact OD1-N 2.94Å; D735-G738 VanDerWaalsContact OD1-N 3.15Å |
| 739 | Q | 74.8 | Confident | 79.3 | Confident | 84 Ų | 84 | 58.8 Ų | 58.8 | 39% | 0.393 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 144.7 | 176.1 | -62.3 | -65.9 | -30.8 | 0 | 0 | 110.6 | R734 D735 E737 M741 | R734-Q739 VanDerWaalsContact CA-O 3.24Å; R734-Q739 WeakPolarHBondContact CA-O 3.35Å; R734-Q739 WeakPolarHBondContact CB-O 3.4Å; D735-Q739 PolarHBondContact N-O 2.99Å; D735-Q739 WeakPolarHBondContact OD1-CB 3.48Å; D735-Q739 PolarHBondContact OD1-N 3.39Å; E737-Q739 VanDerWaalsContact C-N 3.26Å; E737-Q739 HydrophobicContact CB-CG 4.26Å; E737-Q739 PolarHBondContact O-N 2.87Å; Q739-M741 PolarHBondContact O-N 2.95Å |
| 740 | K | 77.7 | Confident | 79 | Confident | 74 Ų | 74 | 60.2 Ų | 60.2 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -59.7 | 131 | 172.3 | 179.9 | 172.2 | 177.6 | 164.9 | 0 | 108.8 | D702 S742 N747 | D702-K740 IonicContact OD2-NZ 3.07Å; D702-K740 PolarHBondContact OD2-NZ 3.15Å; K740-S742 PolarHBondContact O-N 3.12Å; K740-N747 PolarHBondContact O-ND2 3.12Å |
| 741 | M | 79.5 | Confident | 78.9 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 127.7 | 174.2 | -70.9 | -170.2 | -179.6 | 0 | 0 | 110.3 | M222 V733 D735 Q739 V748 V749 | M222-M741 HydrophobicContact CB-CE 4.24Å; M222-M741 HydrophobicContact CB-SD 3.81Å; M222-M741 HydrophobicContact CG-CE 4.27Å; M222-M741 HydrophobicContact CG-SD 4.19Å; V733-M741 HydrophobicContact CG1-CE 3.96Å; V733-M741 HydrophobicContact CG1-SD 4.1Å; D735-M741 HydrophobicContact CB-CE 4.24Å; Q739-M741 PolarHBondContact O-N 2.95Å; M741-V748 HydrophobicContact CB-CG2 4.36Å; M741-V749 HydrophobicContact CE-CG2 4.41Å |
| 742 | S | 70.7 | Confident | 78.9 | Confident | 29 Ų | 29 | 61.2 Ų | 61.2 | 20% | 0.203 | 34% | 0.336 | C | S | . | . | trans | -148.9 | 138 | 176.9 | 71 | 0 | 0 | 0 | 0 | 111.4 | K740 S744 R745 G746 N747 V748 | K740-S742 PolarHBondContact O-N 3.12Å; S742-S744 PolarHBondContact O-N 3.4Å; S742-S744 PolarHBondContact OG-OG 3.22Å; S742-R745 PolarHBondContact O-N 3.37Å; S742-R745 VanDerWaalsContact O-N 3.12Å; S742-R745 WeakPolarHBondContact OG-CB 3.14Å; S742-R745 VanDerWaalsContact OG-CG 3.28Å; S742-R745 WeakPolarHBondContact OG-CG 3.43Å; S742-R745 PolarHBondContact OG-N 3.12Å; S742-G746 PolarHBondContact O-N 2.83Å; S742-N747 PolarHBondContact N-OD1 2.82Å; S742-N747 PolarHBondContact O-OD1 2.89Å; S742-V748 WeakPolarHBondContact O-CG2 3.32Å | ||
| 743 | K | 71.3 | Confident | 79 | Confident | 92 Ų | 92 | 66.2 Ų | 66.2 | 40% | 0.4 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -59 | -34 | -178.6 | -65.3 | -178.6 | -179.6 | 177.3 | 0 | 111.7 | T217 G746 V748 | T217-K743 PolarHBondContact OG1-NZ 3.3Å; K743-G746 PolarHBondContact O-N 2.95Å; K743-V748 HydrophobicContact CG-CG2 4.23Å |
| 744 | S | 62.3 | Low | 79.1 | Confident | 116 Ų | 116 | 66.5 Ų | 66.5 | 81% | 0.811 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -66.4 | -33.8 | 178.4 | 50.8 | 0 | 0 | 0 | 0 | 113.8 | S742 | S742-S744 PolarHBondContact O-N 3.4Å; S742-S744 PolarHBondContact OG-OG 3.22Å |
| 745 | R | 68.6 | Low | 79.4 | Confident | 155 Ų | 155 | 61.8 Ų | 61.8 | 59% | 0.585 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -80.9 | -14.7 | 175.1 | -70.8 | 179.9 | 177.9 | -170.6 | -4.3 | 113.5 | S742 N747 | S742-R745 PolarHBondContact O-N 3.37Å; S742-R745 VanDerWaalsContact O-N 3.12Å; S742-R745 WeakPolarHBondContact OG-CB 3.14Å; S742-R745 VanDerWaalsContact OG-CG 3.28Å; S742-R745 WeakPolarHBondContact OG-CG 3.43Å; S742-R745 PolarHBondContact OG-N 3.12Å; R745-N747 PolarHBondContact O-N 3.34Å |
| 746 | G | 72.8 | Confident | 79.7 | Confident | 63 Ų | 63 | 64.4 Ų | 64.4 | 65% | 0.649 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 6.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S742 K743 V748 | S742-G746 PolarHBondContact O-N 2.83Å; K743-G746 PolarHBondContact O-N 2.95Å; G746-V748 PolarHBondContact O-N 2.89Å |
| 747 | N | 82.2 | Confident | 80.2 | Confident | 34 Ų | 34 | 59.9 Ų | 59.9 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | trans | -87.1 | 17.4 | 179.1 | 69 | -22.7 | 0 | 0 | 0 | 113.6 | D735 K740 S742 R745 | D735-N747 WeakPolarHBondContact OD2-CB 3.29Å; D735-N747 PolarHBondContact OD2-ND2 3.44Å; K740-N747 PolarHBondContact O-ND2 3.12Å; S742-N747 PolarHBondContact N-OD1 2.82Å; S742-N747 PolarHBondContact O-OD1 2.89Å; R745-N747 PolarHBondContact O-N 3.34Å | ||
| 748 | V | 83.6 | Confident | 80.4 | Confident | 42 Ų | 42 | 57 Ų | 57 | 26% | 0.255 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -87.4 | 130.9 | -176.6 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | H221 M741 S742 K743 G746 | H221-V748 HydrophobicContact CB-CG1 3.22Å; M741-V748 HydrophobicContact CB-CG2 4.36Å; S742-V748 WeakPolarHBondContact O-CG2 3.32Å; K743-V748 HydrophobicContact CG-CG2 4.23Å; G746-V748 PolarHBondContact O-N 2.89Å |
| 749 | V | 85.7 | Confident | 80.1 | Confident | 49 Ų | 49 | 63.6 Ų | 63.6 | 30% | 0.297 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -101.3 | 125.2 | 174.7 | -176.6 | 0 | 0 | 0 | 0 | 110 | H221 M222 M741 L754 | H221-V749 WeakPolarHBondContact CA-O 3.49Å; M222-V749 HydrophobicContact CG-CB 3.82Å; M222-V749 HydrophobicContact CG-CG1 4.32Å; M222-V749 PolarHBondContact N-O 3.21Å; M222-V749 HydrophobicContact SD-CG1 4.41Å; M741-V749 HydrophobicContact CE-CG2 4.41Å; V749-L754 HydrophobicContact CG1-CD1 4.01Å; V749-L754 HydrophobicContact CG1-CD2 4.36Å; V749-L754 HydrophobicContact CG1-CG 4.02Å |
| 750 | D | 89.3 | Confident | 79.9 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 123.1 | 170.9 | -172.5 | -30.5 | 0 | 0 | 0 | 109.4 | Q300 L752 K753 | Q300-D750 PolarHBondContact NE2-OD1 3.34Å; D750-L752 PolarHBondContact O-N 2.91Å; D750-L752 WeakPolarHBondContact OD1-CB 3.43Å; D750-L752 PolarHBondContact OD1-N 3.26Å; D750-K753 HydrophobicContact CB-CD 4.35Å; D750-K753 HydrophobicContact CB-CG 4.17Å; D750-K753 WeakPolarHBondContact O-CB 3.4Å; D750-K753 PolarHBondContact O-N 3.09Å; D750-K753 VanDerWaalsContact O-N 3.08Å |
| 751 | P | 91.4 | Very high | 79.9 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.6 | -35.8 | 178.7 | -25.4 | 35.2 | 0 | 0 | 0 | 113.1 | L220 M222 A225 I304 K753 L754 I755 L768 | L220-P751 VanDerWaalsContact O-CD 3.3Å; L220-P751 WeakPolarHBondContact O-CD 3.4Å; M222-P751 HydrophobicContact SD-CB 4.44Å; M222-P751 HydrophobicContact SD-CG 4.21Å; A225-P751 HydrophobicContact CB-CB 4.25Å; A225-P751 HydrophobicContact CB-CG 3.91Å; I304-P751 HydrophobicContact CD1-CB 4Å; I304-P751 HydrophobicContact CD1-CG 4.39Å; P751-K753 PolarHBondContact O-N 2.81Å; P751-L754 PolarHBondContact O-N 3.21Å; P751-I755 HydrophobicContact CB-CD1 4.45Å; P751-I755 VanDerWaalsContact O-CG1 3.32Å; P751-I755 WeakPolarHBondContact O-CG1 3.26Å; P751-I755 PolarHBondContact O-N 3.04Å; P751-L768 HydrophobicContact CB-CD2 4.19Å |
| 752 | L | 89.8 | Confident | 80.2 | Confident | 31 Ų | 31 | 67.2 Ų | 67.2 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.1 | -30.5 | 179.6 | -78.9 | 173.2 | 0 | 0 | 0 | 112.4 | Q300 S303 D750 L754 I755 E756 | Q300-L752 HydrophobicContact CB-CD1 4.38Å; Q300-L752 HydrophobicContact CB-CG 4.41Å; Q300-L752 HydrophobicContact CG-CD1 3.37Å; Q300-L752 HydrophobicContact CG-CG 3.73Å; S303-L752 WeakPolarHBondContact OG-CD2 3.36Å; D750-L752 PolarHBondContact O-N 2.91Å; D750-L752 WeakPolarHBondContact OD1-CB 3.43Å; D750-L752 PolarHBondContact OD1-N 3.26Å; L752-L754 PolarHBondContact O-N 3.14Å; L752-I755 PolarHBondContact O-N 3.33Å; L752-E756 HydrophobicContact CD2-CG 4.23Å; L752-E756 WeakPolarHBondContact CD2-OE1 3.43Å; L752-E756 PolarHBondContact O-N 3.41Å |
| 753 | K | 88.8 | Confident | 81.2 | Confident | 140 Ų | 140 | 65.9 Ų | 65.9 | 61% | 0.609 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.3 | -35.2 | 174.2 | -71.8 | -176.6 | 177 | -175.6 | 0 | 111.7 | D750 P751 G757 | D750-K753 HydrophobicContact CB-CD 4.35Å; D750-K753 HydrophobicContact CB-CG 4.17Å; D750-K753 WeakPolarHBondContact O-CB 3.4Å; D750-K753 PolarHBondContact O-N 3.09Å; D750-K753 VanDerWaalsContact O-N 3.08Å; P751-K753 PolarHBondContact O-N 2.81Å; K753-G757 WeakPolarHBondContact O-CA 3.44Å; K753-G757 PolarHBondContact O-N 3.27Å; K753-G757 VanDerWaalsContact O-N 3.08Å |
| 754 | L | 89.7 | Confident | 82.2 | Confident | 10 Ų | 10 | 61.5 Ų | 61.5 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -82.1 | -24.8 | 178.6 | -58.9 | -173.3 | 0 | 0 | 0 | 112.8 | M222 V749 P751 L752 I763 G764 L768 L784 | M222-L754 HydrophobicContact CE-CD1 4.5Å; M222-L754 HydrophobicContact SD-CD1 3.93Å; V749-L754 HydrophobicContact CG1-CD1 4.01Å; V749-L754 HydrophobicContact CG1-CD2 4.36Å; V749-L754 HydrophobicContact CG1-CG 4.02Å; P751-L754 PolarHBondContact O-N 3.21Å; L752-L754 PolarHBondContact O-N 3.14Å; L754-I763 HydrophobicContact CB-CG1 4.35Å; L754-I763 WeakPolarHBondContact O-CG1 3.49Å; L754-I763 PolarHBondContact O-N 3.47Å; L754-G764 PolarHBondContact O-N 3.08Å; L754-L768 HydrophobicContact CB-CD1 4.32Å; L754-L768 HydrophobicContact CB-CD2 4.45Å; L754-L768 HydrophobicContact CD1-CD1 3.69Å; L754-L784 HydrophobicContact CD1-CD2 4.35Å |
| 755 | I | 91.2 | Very high | 83.8 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -85.8 | -46.2 | 179.9 | -61.6 | 168.4 | 0 | 0 | 0 | 111.4 | Q183 I304 P751 L752 R762 A765 L768 | Q183-I755 VanDerWaalsContact OE1-CG2 3.31Å; I304-I755 HydrophobicContact CG1-CD1 3.61Å; P751-I755 HydrophobicContact CB-CD1 4.45Å; P751-I755 VanDerWaalsContact O-CG1 3.32Å; P751-I755 WeakPolarHBondContact O-CG1 3.26Å; P751-I755 PolarHBondContact O-N 3.04Å; L752-I755 PolarHBondContact O-N 3.33Å; I755-R762 WeakPolarHBondContact O-CG 3.36Å; I755-A765 HydrophobicContact CD1-CB 4.42Å; I755-A765 HydrophobicContact CG1-CB 4.41Å; I755-A765 HydrophobicContact CG2-CB 4.28Å; I755-L768 HydrophobicContact CD1-CD2 4.1Å; I755-L768 HydrophobicContact CG1-CD2 3.92Å |
| 756 | E | 85.7 | Confident | 85.1 | Confident | 79 Ų | 79 | 48.6 Ų | 48.6 | 37% | 0.369 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -119 | -5.5 | -168 | -61.9 | -179.4 | -169.5 | 0 | 0 | 114.3 | S303 L752 | S303-E756 PolarHBondContact OG-OE1 3.18Å; L752-E756 HydrophobicContact CD2-CG 4.23Å; L752-E756 WeakPolarHBondContact CD2-OE1 3.43Å; L752-E756 PolarHBondContact O-N 3.41Å |
| 757 | G | 81.7 | Confident | 86.1 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 24% | 0.237 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -61.4 | -167.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | K753 | K753-G757 WeakPolarHBondContact O-CA 3.44Å; K753-G757 PolarHBondContact O-N 3.27Å; K753-G757 VanDerWaalsContact O-N 3.08Å |
| 758 | D | 76.4 | Confident | 86.7 | Confident | 96 Ų | 96 | 44.1 Ų | 44.1 | 51% | 0.513 | 22% | 0.224 | S | C | . | . | trans | -63.9 | 169.1 | 179.9 | 63 | 30.9 | 0 | 0 | 0 | 113 | E760 T761 R762 | D758-E760 PolarHBondContact O-N 2.92Å; D758-E760 VanDerWaalsContact O-N 3.11Å; D758-E760 PolarHBondContact OD1-N 3Å; D758-T761 PolarHBondContact N-OG1 3.36Å; D758-T761 PolarHBondContact O-N 3.01Å; D758-T761 PolarHBondContact O-OG1 3.32Å; D758-T761 VanDerWaalsContact OD1-CB 3.3Å; D758-T761 WeakPolarHBondContact OD1-CB 3.38Å; D758-T761 VanDerWaalsContact OD1-CG2 3.31Å; D758-T761 WeakPolarHBondContact OD1-CG2 3.4Å; D758-T761 PolarHBondContact OD1-N 2.94Å; D758-T761 PolarHBondContact OD1-OG1 3.03Å; D758-R762 WeakPolarHBondContact O-CB 3.28Å; D758-R762 PolarHBondContact O-N 3.49Å | ||
| 759 | Q | 69 | Low | 87.2 | Confident | 165 Ų | 165 | 42.2 Ų | 42.2 | 77% | 0.771 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -24.1 | -176.2 | -76.3 | -174.8 | -20.1 | 0 | 0 | 114.4 | ||
| 760 | E | 70.4 | Confident | 87.6 | Confident | 167 Ų | 167 | 40 Ų | 40 | 78% | 0.78 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -44.2 | -179.8 | -69.1 | -168.9 | 161.4 | 0 | 0 | 111.7 | D758 | D758-E760 PolarHBondContact O-N 2.92Å; D758-E760 VanDerWaalsContact O-N 3.11Å; D758-E760 PolarHBondContact OD1-N 3Å |
| 761 | T | 78.5 | Confident | 87.8 | Confident | 49 Ų | 49 | 38.4 Ų | 38.4 | 30% | 0.301 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -31 | -175.6 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | D758 I763 R789 | D758-T761 PolarHBondContact N-OG1 3.36Å; D758-T761 PolarHBondContact O-N 3.01Å; D758-T761 PolarHBondContact O-OG1 3.32Å; D758-T761 VanDerWaalsContact OD1-CB 3.3Å; D758-T761 WeakPolarHBondContact OD1-CB 3.38Å; D758-T761 VanDerWaalsContact OD1-CG2 3.31Å; D758-T761 WeakPolarHBondContact OD1-CG2 3.4Å; D758-T761 PolarHBondContact OD1-N 2.94Å; D758-T761 PolarHBondContact OD1-OG1 3.03Å; T761-I763 PolarHBondContact O-N 3.43Å; T761-R789 PolarHBondContact O-NH1 3.06Å |
| 762 | R | 86.1 | Confident | 87.8 | Confident | 35 Ų | 35 | 38.5 Ų | 38.5 | 13% | 0.132 | 19% | 0.19 | C | C | . | . | trans | -69.2 | 124.3 | -171.1 | -169.1 | -176.3 | 69.8 | 172.9 | 8.6 | 113 | D178 K180 I755 D758 R793 | D178-R762 IonicContact OD1-CZ 2.81Å; D178-R762 IonicContact OD1-NH1 3.63Å; D178-R762 IonicContact OD1-NH2 3.53Å; D178-R762 PolarHBondContact OD1-NH2 2.57Å; D178-R762 IonicContact OD2-NH2 3.08Å; K180-R762 VanDerWaalsContact CE-NH1 3.31Å; I755-R762 WeakPolarHBondContact O-CG 3.36Å; D758-R762 WeakPolarHBondContact O-CB 3.28Å; D758-R762 PolarHBondContact O-N 3.49Å; R762-R793 PolarHBondContact O-NH1 3.45Å | ||
| 763 | I | 89.8 | Confident | 88 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | trans | -119.4 | -23.5 | 174.2 | 63.5 | 171.5 | 0 | 0 | 0 | 113 | L754 T761 A767 L768 R789 R793 | L754-I763 HydrophobicContact CB-CG1 4.35Å; L754-I763 WeakPolarHBondContact O-CG1 3.49Å; L754-I763 PolarHBondContact O-N 3.47Å; T761-I763 PolarHBondContact O-N 3.43Å; I763-A767 HydrophobicContact CB-CB 3.96Å; I763-A767 HydrophobicContact CD1-CB 4.29Å; I763-A767 HydrophobicContact CG1-CB 4.2Å; I763-A767 WeakPolarHBondContact O-CB 3.34Å; I763-L768 HydrophobicContact CD1-CB 4.14Å; I763-L768 HydrophobicContact CD1-CD1 4.19Å; I763-R789 HydrophobicContact CD1-CB 4.12Å; I763-R789 HydrophobicContact CD1-CG 4.3Å; I763-R793 HydrophobicContact CB-CB 4.47Å; I763-R793 HydrophobicContact CG2-CB 4.37Å | ||
| 764 | G | 93 | Very high | 88.2 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | 90.9 | 162.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L754 L768 | L754-G764 PolarHBondContact O-N 3.08Å; G764-L768 WeakPolarHBondContact O-CB 3.45Å; G764-L768 PolarHBondContact O-N 3.04Å | ||
| 765 | A | 95.2 | Very high | 88 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.9 | -49.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S303 I755 A767 L768 R769 Y912 | S303-A765 WeakPolarHBondContact O-CB 3.23Å; I755-A765 HydrophobicContact CD1-CB 4.42Å; I755-A765 HydrophobicContact CG1-CB 4.41Å; I755-A765 HydrophobicContact CG2-CB 4.28Å; A765-A767 PolarHBondContact O-N 2.8Å; A765-L768 WeakPolarHBondContact O-CB 3.23Å; A765-L768 PolarHBondContact O-N 2.87Å; A765-L768 VanDerWaalsContact O-N 3.17Å; A765-R769 VanDerWaalsContact O-CG 3.26Å; A765-R769 WeakPolarHBondContact O-CG 3.23Å; A765-R769 PolarHBondContact O-N 2.88Å; A765-Y912 HydrophobicContact CB-CD2 3.96Å; A765-Y912 HydrophobicContact CB-CE2 3.81Å |
| 766 | D | 95.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.4 | -41.1 | -178 | -68 | -17.8 | 0 | 0 | 0 | 113.1 | L768 R769 I770 M910 P911 Y912 L913 | D766-L768 VanDerWaalsContact C-N 3.26Å; D766-L768 PolarHBondContact O-N 2.96Å; D766-R769 PolarHBondContact O-N 3.23Å; D766-I770 WeakPolarHBondContact O-CG1 3.17Å; D766-I770 PolarHBondContact O-N 3.24Å; D766-M910 HydrophobicContact CB-CB 3.77Å; D766-M910 HydrophobicContact CB-CE 3.63Å; D766-M910 HydrophobicContact CB-CG 3.92Å; D766-M910 VanDerWaalsContact CG-CA 3.49Å; D766-M910 VanDerWaalsContact OD1-C 3.31Å; D766-M910 WeakPolarHBondContact OD1-CA 3.34Å; D766-P911 WeakPolarHBondContact OD1-CD 3.42Å; D766-Y912 PolarHBondContact OD1-N 3.05Å; D766-Y912 WeakPolarHBondContact OD2-CB 3.22Å; D766-Y912 PolarHBondContact OD2-N 3.27Å; D766-L913 WeakPolarHBondContact OD2-CB 3.43Å; D766-L913 PolarHBondContact OD2-N 3.32Å |
| 767 | A | 94.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -39.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | I763 A765 S771 S792 | I763-A767 HydrophobicContact CB-CB 3.96Å; I763-A767 HydrophobicContact CD1-CB 4.29Å; I763-A767 HydrophobicContact CG1-CB 4.2Å; I763-A767 WeakPolarHBondContact O-CB 3.34Å; A765-A767 PolarHBondContact O-N 2.8Å; A767-S771 WeakPolarHBondContact O-CB 3.36Å; A767-S771 PolarHBondContact O-N 2.9Å; A767-S771 PolarHBondContact O-OG 3.07Å; A767-S792 WeakPolarHBondContact O-CB 3.36Å |
| 768 | L | 94.4 | Very high | 88.2 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.3 | -48.6 | 175.3 | -176.6 | 61.6 | 0 | 0 | 0 | 111.9 | M222 P751 L754 I755 I763 G764 A765 D766 S771 L772 | M222-L768 HydrophobicContact CE-CD1 3.38Å; M222-L768 HydrophobicContact CE-CD2 4.2Å; M222-L768 HydrophobicContact CE-CG 4.04Å; M222-L768 HydrophobicContact SD-CD1 4.24Å; P751-L768 HydrophobicContact CB-CD2 4.19Å; L754-L768 HydrophobicContact CB-CD1 4.32Å; L754-L768 HydrophobicContact CB-CD2 4.45Å; L754-L768 HydrophobicContact CD1-CD1 3.69Å; I755-L768 HydrophobicContact CD1-CD2 4.1Å; I755-L768 HydrophobicContact CG1-CD2 3.92Å; I763-L768 HydrophobicContact CD1-CB 4.14Å; I763-L768 HydrophobicContact CD1-CD1 4.19Å; G764-L768 WeakPolarHBondContact O-CB 3.45Å; G764-L768 PolarHBondContact O-N 3.04Å; A765-L768 WeakPolarHBondContact O-CB 3.23Å; A765-L768 PolarHBondContact O-N 2.87Å; A765-L768 VanDerWaalsContact O-N 3.17Å; D766-L768 VanDerWaalsContact C-N 3.26Å; D766-L768 PolarHBondContact O-N 2.96Å; L768-S771 WeakPolarHBondContact O-CB 3.5Å; L768-S771 PolarHBondContact O-N 3.38Å; L768-S771 VanDerWaalsContact O-N 3.17Å; L768-L772 HydrophobicContact CG-CD1 4.28Å; L768-L772 WeakPolarHBondContact O-CG 3.33Å; L768-L772 PolarHBondContact O-N 2.98Å |
| 769 | R | 95.2 | Very high | 88.6 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.9 | -51.5 | 178.2 | -69.2 | 168.4 | 68.3 | 104.8 | 2.9 | 111.5 | A229 D232 I304 A765 D766 S771 L772 L773 P908 Y909 | A229-R769 HydrophobicContact CB-CB 4.34Å; A229-R769 HydrophobicContact CB-CG 4.18Å; D232-R769 IonicContact OD2-CZ 3.75Å; D232-R769 IonicContact OD2-NH1 2.76Å; D232-R769 PolarHBondContact OD2-NH1 2.9Å; D232-R769 IonicContact OD2-NH2 3.98Å; D232-R769 PolarHBondContact OD2-NH2 2.89Å; I304-R769 PolarHBondContact O-NH1 3.5Å; A765-R769 VanDerWaalsContact O-CG 3.26Å; A765-R769 WeakPolarHBondContact O-CG 3.23Å; A765-R769 PolarHBondContact O-N 2.88Å; D766-R769 PolarHBondContact O-N 3.23Å; R769-S771 VanDerWaalsContact C-N 3.28Å; R769-S771 PolarHBondContact O-N 3.2Å; R769-L772 PolarHBondContact O-N 3.4Å; R769-L773 WeakPolarHBondContact O-CB 3.38Å; R769-L773 VanDerWaalsContact O-CG 3.31Å; R769-L773 WeakPolarHBondContact O-CG 3.49Å; R769-L773 PolarHBondContact O-N 3.39Å; R769-P908 PolarHBondContact NH2-O 2.06Å; R769-Y909 WeakPolarHBondContact CB-O 3.47Å; R769-Y909 PolarHBondContact NE-O 3.46Å |
| 770 | I | 93.9 | Very high | 89 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.3 | -38.9 | 176.3 | -69.9 | -69.7 | 0 | 0 | 0 | 111.4 | D766 L772 L773 R774 S792 V856 M910 | D766-I770 WeakPolarHBondContact O-CG1 3.17Å; D766-I770 PolarHBondContact O-N 3.24Å; I770-L772 VanDerWaalsContact C-N 3.3Å; I770-L772 PolarHBondContact O-N 2.87Å; I770-L773 PolarHBondContact O-N 2.94Å; I770-R774 HydrophobicContact CG2-CG 4.46Å; I770-R774 WeakPolarHBondContact O-CB 3.44Å; I770-R774 VanDerWaalsContact O-CG 3.28Å; I770-R774 WeakPolarHBondContact O-CG 3.38Å; I770-R774 PolarHBondContact O-N 2.87Å; I770-S792 WeakPolarHBondContact CG2-OG 3.36Å; I770-V856 HydrophobicContact CD1-CG1 4Å; I770-V856 HydrophobicContact CD1-CG2 3.82Å; I770-V856 HydrophobicContact CG2-CG1 3.78Å; I770-M910 HydrophobicContact CD1-CG 3.75Å; I770-M910 HydrophobicContact CD1-SD 4.08Å; I770-M910 HydrophobicContact CG1-CG 3.4Å; I770-M910 HydrophobicContact CG1-SD 3.66Å |
| 771 | S | 92.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62 | -39.9 | 177.9 | -57.1 | 0 | 0 | 0 | 0 | 112.4 | A767 L768 R769 R789 S792 | A767-S771 WeakPolarHBondContact O-CB 3.36Å; A767-S771 PolarHBondContact O-N 2.9Å; A767-S771 PolarHBondContact O-OG 3.07Å; L768-S771 WeakPolarHBondContact O-CB 3.5Å; L768-S771 PolarHBondContact O-N 3.38Å; L768-S771 VanDerWaalsContact O-N 3.17Å; R769-S771 VanDerWaalsContact C-N 3.28Å; R769-S771 PolarHBondContact O-N 3.2Å; S771-R789 WeakPolarHBondContact OG-CA 3.37Å; S771-S792 VanDerWaalsContact OG-CB 3.26Å; S771-S792 WeakPolarHBondContact OG-CB 3.49Å; S771-S792 PolarHBondContact OG-OG 3.41Å; S771-S792 VanDerWaalsContact OG-OG 3.09Å |
| 772 | L | 92.5 | Very high | 89.6 | Confident | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -72 | -41.4 | 178.3 | -71.2 | 168.3 | 0 | 0 | 0 | 112.2 | M222 A225 L226 L768 R769 I770 R774 L784 | M222-L772 HydrophobicContact CE-CD1 3.7Å; M222-L772 HydrophobicContact CE-CD2 3.72Å; M222-L772 HydrophobicContact CE-CG 4.01Å; A225-L772 HydrophobicContact CB-CD1 3.8Å; L226-L772 HydrophobicContact CB-CD2 4.4Å; L226-L772 HydrophobicContact CD1-CB 4Å; L768-L772 HydrophobicContact CG-CD1 4.28Å; L768-L772 WeakPolarHBondContact O-CG 3.33Å; L768-L772 PolarHBondContact O-N 2.98Å; R769-L772 PolarHBondContact O-N 3.4Å; I770-L772 VanDerWaalsContact C-N 3.3Å; I770-L772 PolarHBondContact O-N 2.87Å; L772-R774 VanDerWaalsContact C-N 3.26Å; L772-R774 PolarHBondContact O-N 2.95Å; L772-L784 HydrophobicContact CD2-CD1 3.99Å |
| 773 | L | 93.9 | Very high | 89 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -77.3 | -10 | -177.3 | -64.8 | 173.3 | 0 | 0 | 0 | 113.4 | A229 I230 C233 R769 I770 F852 H853 V856 Y909 | A229-L773 HydrophobicContact CB-CD1 4.31Å; A229-L773 HydrophobicContact CB-CD2 4.32Å; A229-L773 HydrophobicContact CB-CG 4.25Å; I230-L773 HydrophobicContact CG1-CD2 3.76Å; C233-L773 WeakPolarHBondContact SG-CD1 3.36Å; R769-L773 WeakPolarHBondContact O-CB 3.38Å; R769-L773 VanDerWaalsContact O-CG 3.31Å; R769-L773 WeakPolarHBondContact O-CG 3.49Å; R769-L773 PolarHBondContact O-N 3.39Å; I770-L773 PolarHBondContact O-N 2.94Å; L773-F852 HydrophobicContact CB-CB 4.27Å; L773-F852 HydrophobicContact CD2-CB 3.94Å; L773-F852 HydrophobicContact CD2-CD1 4.46Å; L773-F852 HydrophobicContact CD2-CG 4.09Å; L773-F852 CarbonylContact O-C 3.59Å; L773-H853 WeakPolarHBondContact O-CA 3.49Å; L773-H853 WeakPolarHBondContact O-CB 3.4Å; L773-H853 PolarHBondContact O-N 3.07Å; L773-H853 VanDerWaalsContact O-N 3.12Å; L773-V856 HydrophobicContact CB-CG2 3.99Å; L773-Y909 HydrophobicContact CD1-CD1 3.89Å |
| 774 | R | 91.4 | Very high | 88.4 | Confident | 69 Ų | 69 | 24.2 Ų | 24.2 | 26% | 0.26 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -25.2 | 175.2 | -90.9 | -179.3 | 168.3 | -135.3 | -4 | 114.5 | I770 L772 V788 H791 H853 V856 | I770-R774 HydrophobicContact CG2-CG 4.46Å; I770-R774 WeakPolarHBondContact O-CB 3.44Å; I770-R774 VanDerWaalsContact O-CG 3.28Å; I770-R774 WeakPolarHBondContact O-CG 3.38Å; I770-R774 PolarHBondContact O-N 2.87Å; L772-R774 VanDerWaalsContact C-N 3.26Å; L772-R774 PolarHBondContact O-N 2.95Å; R774-V788 HydrophobicContact CB-CG1 4.19Å; R774-H791 PolarHBondContact NH1-CD2 3.46Å; R774-H791 PolarHBondContact NH1-NE2 2.89Å; R774-H791 PolarHBondContact NH2-CD2 3.49Å; R774-H791 PolarHBondContact NH2-NE2 3.28Å; R774-H853 WeakPolarHBondContact O-CB 3.46Å; R774-V856 HydrophobicContact CG-CG1 3.61Å |
| 775 | S | 86.7 | Confident | 87.7 | Confident | 21 Ų | 21 | 28 Ų | 28 | 15% | 0.147 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -85.5 | 148.4 | 170.8 | -59.2 | 0 | 0 | 0 | 0 | 109.5 | P777 | S775-P777 WeakPolarHBondContact O-CD 3.49Å; S775-P777 VanDerWaalsContact O-N 3.12Å |
| 776 | N | 88.9 | Confident | 87 | Confident | 64 Ų | 64 | 32 Ų | 32 | 34% | 0.342 | 17% | 0.174 | S | C | . | . | trans | -65.6 | 110.4 | 174.3 | -178.6 | 3.8 | 0 | 0 | 0 | 110.1 | K778 G779 H853 | N776-K778 PolarHBondContact O-N 3.3Å; N776-K778 WeakPolarHBondContact OD1-CB 3.38Å; N776-K778 PolarHBondContact OD1-N 3.46Å; N776-G779 PolarHBondContact O-N 3.41Å; N776-G779 VanDerWaalsContact O-N 3.14Å; N776-H853 VanDerWaalsContact CG-CE1 3.41Å; N776-H853 PolarHBondContact OD1-CE1 3.37Å | ||
| 777 | P | 85.9 | Confident | 86.2 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -17.5 | -177.4 | 25.8 | -27.3 | 0 | 0 | 0 | 112.6 | I230 F728 H730 G731 S775 G779 F852 | I230-P777 HydrophobicContact CD1-CB 3.77Å; I230-P777 HydrophobicContact CD1-CG 4.41Å; F728-P777 HydrophobicContact CZ-CB 4.27Å; F728-P777 HydrophobicContact CZ-CG 4.08Å; H730-P777 CarbonylContact C-O 3.6Å; H730-P777 WeakPolarHBondContact CA-O 3.38Å; H730-P777 HydrophobicContact CB-CB 4.24Å; G731-P777 PolarHBondContact N-O 2.88Å; S775-P777 WeakPolarHBondContact O-CD 3.49Å; S775-P777 VanDerWaalsContact O-N 3.12Å; P777-G779 VanDerWaalsContact C-N 3.27Å; P777-G779 PolarHBondContact O-N 3.34Å; P777-F852 HydrophobicContact CG-CD2 3.68Å; P777-F852 HydrophobicContact CG-CE2 4.35Å |
| 778 | K | 88.2 | Confident | 85.8 | Confident | 47 Ų | 47 | 36.6 Ų | 36.6 | 20% | 0.204 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -11.8 | 174.2 | -64.7 | 173.3 | -178.8 | 172.4 | 0 | 113.5 | P573 F728 N776 A849 N851 | P573-K778 HydrophobicContact CB-CB 4.29Å; P573-K778 HydrophobicContact CG-CB 4.42Å; F728-K778 HydrophobicContact CE2-CD 4.29Å; F728-K778 HydrophobicContact CE2-CG 3.56Å; F728-K778 HydrophobicContact CZ-CG 4.02Å; N776-K778 PolarHBondContact O-N 3.3Å; N776-K778 WeakPolarHBondContact OD1-CB 3.38Å; N776-K778 PolarHBondContact OD1-N 3.46Å; K778-A849 WeakPolarHBondContact CE-O 3.39Å; K778-A849 PolarHBondContact NZ-O 3.41Å; K778-N851 PolarHBondContact NZ-OD1 3.2Å |
| 779 | G | 84.8 | Confident | 85.4 | Confident | 28 Ų | 28 | 37.7 Ų | 37.7 | 29% | 0.289 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -73.6 | 161.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | G731 N776 P777 T781 | G731-G779 WeakPolarHBondContact CA-O 3.26Å; G731-G779 PolarHBondContact N-O 2.85Å; N776-G779 PolarHBondContact O-N 3.41Å; N776-G779 VanDerWaalsContact O-N 3.14Å; P777-G779 VanDerWaalsContact C-N 3.27Å; P777-G779 PolarHBondContact O-N 3.34Å; G779-T781 PolarHBondContact O-N 3.21Å; G779-T781 VanDerWaalsContact O-N 3.1Å |
| 780 | D | 77.5 | Confident | 85 | Confident | 121 Ų | 121 | 40 Ų | 40 | 65% | 0.647 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -60.7 | -23.9 | 179.6 | -61.8 | -19.5 | 0 | 0 | 0 | 113.1 | H701 G731 M732 | H701-D780 PolarHBondContact NE2-O 3.19Å; G731-D780 WeakPolarHBondContact CA-O 3.42Å; M732-D780 PolarHBondContact N-O 3.37Å |
| 781 | T | 80.9 | Confident | 84.8 | Confident | 51 Ų | 51 | 43.1 Ų | 43.1 | 31% | 0.313 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 138.7 | -171.2 | 69.3 | 0 | 0 | 0 | 0 | 113 | M732 R734 G779 | M732-T781 WeakPolarHBondContact O-CA 3.35Å; R734-T781 HydrophobicContact CG-CG2 4.39Å; G779-T781 PolarHBondContact O-N 3.21Å; G779-T781 VanDerWaalsContact O-N 3.1Å |
| 782 | V | 80 | Confident | 84.8 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121 | 171.2 | 171.1 | 0 | 0 | 0 | 0 | 108.6 | L226 M732 V733 R734 | L226-V782 HydrophobicContact CD1-CG1 4.46Å; L226-V782 HydrophobicContact CD2-CB 4.11Å; L226-V782 HydrophobicContact CD2-CG1 4.29Å; L226-V782 HydrophobicContact CD2-CG2 3.72Å; M732-V782 PolarHBondContact O-N 3.32Å; V733-V782 WeakPolarHBondContact CA-O 3.3Å; V733-V782 HydrophobicContact CG2-CB 4.21Å; V733-V782 HydrophobicContact CG2-CG1 4.25Å; R734-V782 PolarHBondContact N-O 3.48Å |
| 783 | T | 74.2 | Confident | 84.7 | Confident | 72 Ų | 72 | 47.1 Ų | 47.1 | 44% | 0.442 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 120.5 | -177.5 | 47.9 | 0 | 0 | 0 | 0 | 110.4 | D785 | T783-D785 PolarHBondContact O-N 2.94Å |
| 784 | L | 76.3 | Confident | 84.6 | Confident | 21 Ų | 21 | 55 Ų | 55 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | trans | -93.1 | 72.5 | 174.6 | -170.6 | 69.4 | 0 | 0 | 0 | 110.7 | M222 V733 L754 L772 R789 | M222-L784 HydrophobicContact CB-CD2 4.4Å; M222-L784 HydrophobicContact CE-CD1 4.4Å; M222-L784 HydrophobicContact CE-CD2 3.87Å; M222-L784 HydrophobicContact CG-CD2 3.74Å; M222-L784 HydrophobicContact SD-CD2 4.15Å; V733-L784 HydrophobicContact CG1-CB 4.37Å; L754-L784 HydrophobicContact CD1-CD2 4.35Å; L772-L784 HydrophobicContact CD2-CD1 3.99Å; L784-R789 HydrophobicContact CD1-CG 4.15Å; L784-R789 HydrophobicContact CG-CG 4.48Å | ||
| 785 | D | 77.8 | Confident | 84.9 | Confident | 81 Ų | 81 | 51.8 Ų | 51.8 | 43% | 0.433 | 27% | 0.27 | S | S | . | . | trans | -75.6 | 137.3 | 178.8 | -179.2 | 6.1 | 0 | 0 | 0 | 111.6 | T783 A787 V788 R789 | T783-D785 PolarHBondContact O-N 2.94Å; D785-A787 PolarHBondContact O-N 3.03Å; D785-A787 PolarHBondContact OD1-N 3.3Å; D785-V788 HydrophobicContact CB-CB 4.47Å; D785-V788 HydrophobicContact CB-CG2 4.06Å; D785-V788 WeakPolarHBondContact O-CB 3.16Å; D785-V788 PolarHBondContact O-N 3.46Å; D785-V788 VanDerWaalsContact O-N 3.11Å; D785-R789 WeakPolarHBondContact O-CG 3.25Å; D785-R789 PolarHBondContact O-N 2.98Å; D785-R789 VanDerWaalsContact O-N 3.09Å | ||
| 786 | E | 80.8 | Confident | 85.3 | Confident | 83 Ų | 83 | 50.9 Ų | 50.9 | 39% | 0.388 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -53.4 | -41.9 | 173.8 | -170.9 | 56.9 | -148.2 | 0 | 0 | 112.5 | V788 R789 Q790 | E786-V788 VanDerWaalsContact C-N 3.25Å; E786-V788 PolarHBondContact O-N 3.45Å; E786-R789 PolarHBondContact O-N 3.45Å; E786-R789 IonicContact OE1-CZ 2.74Å; E786-R789 IonicContact OE1-NE 3.83Å; E786-R789 IonicContact OE1-NH2 3.45Å; E786-R789 PolarHBondContact OE1-NH2 3.44Å; E786-R789 VanDerWaalsContact OE1-NH2 3.14Å; E786-R789 IonicContact OE2-CZ 2.78Å; E786-R789 IonicContact OE2-NE 2.82Å; E786-R789 PolarHBondContact OE2-NE 2.88Å; E786-R789 IonicContact OE2-NH2 3.79Å; E786-R789 PolarHBondContact OE2-NH2 3.46Å; E786-Q790 HydrophobicContact CG-CG 4.37Å; E786-Q790 WeakPolarHBondContact O-CG 3.46Å; E786-Q790 PolarHBondContact O-N 3.27Å; E786-Q790 PolarHBondContact OE1-NE2 2.96Å |
| 787 | A | 80.4 | Confident | 85.5 | Confident | 62 Ų | 62 | 50.3 Ų | 50.3 | 51% | 0.512 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.4 | -38.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D785 H791 | D785-A787 PolarHBondContact O-N 3.03Å; D785-A787 PolarHBondContact OD1-N 3.3Å; A787-H791 WeakPolarHBondContact O-CB 3.39Å; A787-H791 PolarHBondContact O-N 3.41Å |
| 788 | V | 84.8 | Confident | 86 | Confident | 36 Ų | 36 | 52.9 Ų | 52.9 | 22% | 0.218 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.8 | -44.5 | 176.5 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | R774 D785 E786 Q790 H791 S792 | R774-V788 HydrophobicContact CB-CG1 4.19Å; D785-V788 HydrophobicContact CB-CB 4.47Å; D785-V788 HydrophobicContact CB-CG2 4.06Å; D785-V788 WeakPolarHBondContact O-CB 3.16Å; D785-V788 PolarHBondContact O-N 3.46Å; D785-V788 VanDerWaalsContact O-N 3.11Å; E786-V788 VanDerWaalsContact C-N 3.25Å; E786-V788 PolarHBondContact O-N 3.45Å; V788-Q790 PolarHBondContact O-N 3Å; V788-H791 PolarHBondContact O-N 3.45Å; V788-S792 PolarHBondContact O-N 2.88Å; V788-S792 PolarHBondContact O-OG 3.34Å |
| 789 | R | 86.7 | Confident | 86.4 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 9% | 0.094 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58 | -48.2 | 176.5 | -61.5 | -164.9 | -48.4 | 119.7 | -17 | 112.1 | T761 I763 S771 L784 D785 E786 H791 S792 R793 | T761-R789 PolarHBondContact O-NH1 3.06Å; I763-R789 HydrophobicContact CD1-CB 4.12Å; I763-R789 HydrophobicContact CD1-CG 4.3Å; S771-R789 WeakPolarHBondContact OG-CA 3.37Å; L784-R789 HydrophobicContact CD1-CG 4.15Å; L784-R789 HydrophobicContact CG-CG 4.48Å; D785-R789 WeakPolarHBondContact O-CG 3.25Å; D785-R789 PolarHBondContact O-N 2.98Å; D785-R789 VanDerWaalsContact O-N 3.09Å; E786-R789 PolarHBondContact O-N 3.45Å; E786-R789 IonicContact OE1-CZ 2.74Å; E786-R789 IonicContact OE1-NE 3.83Å; E786-R789 IonicContact OE1-NH2 3.45Å; E786-R789 PolarHBondContact OE1-NH2 3.44Å; E786-R789 VanDerWaalsContact OE1-NH2 3.14Å; E786-R789 IonicContact OE2-CZ 2.78Å; E786-R789 IonicContact OE2-NE 2.82Å; E786-R789 PolarHBondContact OE2-NE 2.88Å; E786-R789 IonicContact OE2-NH2 3.79Å; E786-R789 PolarHBondContact OE2-NH2 3.46Å; R789-H791 VanDerWaalsContact C-N 3.34Å; R789-H791 PolarHBondContact O-N 3.37Å; R789-S792 PolarHBondContact O-N 2.9Å; R789-R793 PolarHBondContact O-N 3.41Å |
| 790 | Q | 86.9 | Confident | 86.8 | Confident | 51 Ų | 51 | 49.9 Ų | 49.9 | 24% | 0.238 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 179.8 | -66.3 | -59.9 | -25.8 | 0 | 0 | 111.9 | E786 V788 R793 R794 | E786-Q790 HydrophobicContact CG-CG 4.37Å; E786-Q790 WeakPolarHBondContact O-CG 3.46Å; E786-Q790 PolarHBondContact O-N 3.27Å; E786-Q790 PolarHBondContact OE1-NE2 2.96Å; V788-Q790 PolarHBondContact O-N 3Å; Q790-R793 PolarHBondContact O-N 3.15Å; Q790-R794 VanDerWaalsContact O-CG 3.29Å; Q790-R794 WeakPolarHBondContact O-CG 3.45Å; Q790-R794 PolarHBondContact O-N 2.81Å |
| 791 | H | 89.2 | Confident | 87.6 | Confident | 68 Ų | 68 | 47.5 Ų | 47.5 | 32% | 0.315 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 173.8 | -176.2 | 101.7 | 0 | 0 | 0 | 111.6 | R774 A787 V788 R789 R793 R794 F795 | R774-H791 PolarHBondContact NH1-CD2 3.46Å; R774-H791 PolarHBondContact NH1-NE2 2.89Å; R774-H791 PolarHBondContact NH2-CD2 3.49Å; R774-H791 PolarHBondContact NH2-NE2 3.28Å; A787-H791 WeakPolarHBondContact O-CB 3.39Å; A787-H791 PolarHBondContact O-N 3.41Å; V788-H791 PolarHBondContact O-N 3.45Å; R789-H791 VanDerWaalsContact C-N 3.34Å; R789-H791 PolarHBondContact O-N 3.37Å; H791-R793 PolarHBondContact O-N 3.4Å; H791-R794 WeakPolarHBondContact O-CB 3.29Å; H791-R794 PolarHBondContact O-N 3.28Å; H791-F795 PolarHBondContact O-N 2.9Å |
| 792 | S | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.4 | -40 | 176.9 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | A767 I770 S771 V788 R789 R794 F795 C796 | A767-S792 WeakPolarHBondContact O-CB 3.36Å; I770-S792 WeakPolarHBondContact CG2-OG 3.36Å; S771-S792 VanDerWaalsContact OG-CB 3.26Å; S771-S792 WeakPolarHBondContact OG-CB 3.49Å; S771-S792 PolarHBondContact OG-OG 3.41Å; S771-S792 VanDerWaalsContact OG-OG 3.09Å; V788-S792 PolarHBondContact O-N 2.88Å; V788-S792 PolarHBondContact O-OG 3.34Å; R789-S792 PolarHBondContact O-N 2.9Å; S792-R794 PolarHBondContact O-N 3.45Å; S792-F795 WeakPolarHBondContact O-CB 3.49Å; S792-F795 PolarHBondContact O-N 2.84Å; S792-C796 PolarHBondContact O-N 3.46Å; S792-C796 PolarHBondContact O-SG 2.92Å |
| 793 | R | 91.3 | Very high | 88.8 | Confident | 87 Ų | 87 | 45.4 Ų | 45.4 | 33% | 0.328 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.8 | -43 | 172.5 | -178.4 | 179.4 | 171.6 | 179.8 | -0.8 | 112.1 | R762 I763 R789 Q790 H791 F795 C796 N797 | R762-R793 PolarHBondContact O-NH1 3.45Å; I763-R793 HydrophobicContact CB-CB 4.47Å; I763-R793 HydrophobicContact CG2-CB 4.37Å; R789-R793 PolarHBondContact O-N 3.41Å; Q790-R793 PolarHBondContact O-N 3.15Å; H791-R793 PolarHBondContact O-N 3.4Å; R793-F795 VanDerWaalsContact C-N 3.29Å; R793-F795 PolarHBondContact O-N 3.27Å; R793-C796 WeakPolarHBondContact O-CB 3.44Å; R793-C796 PolarHBondContact O-N 2.76Å; R793-N797 PolarHBondContact O-N 3.48Å; R793-N797 VanDerWaalsContact O-N 3.13Å |
| 794 | R | 93 | Very high | 89.4 | Confident | 167 Ų | 167 | 46.9 Ų | 46.9 | 63% | 0.63 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -63.9 | -36 | 176.4 | -71.9 | 173.2 | -169.8 | -170.9 | 4.3 | 112 | Q790 H791 S792 N797 K798 W864 | Q790-R794 VanDerWaalsContact O-CG 3.29Å; Q790-R794 WeakPolarHBondContact O-CG 3.45Å; Q790-R794 PolarHBondContact O-N 2.81Å; H791-R794 WeakPolarHBondContact O-CB 3.29Å; H791-R794 PolarHBondContact O-N 3.28Å; S792-R794 PolarHBondContact O-N 3.45Å; R794-N797 PolarHBondContact O-N 3.41Å; R794-K798 PolarHBondContact O-N 3.23Å; R794-W864 HydrophobicContact CB-CH2 4.27Å |
| 795 | F | 95.8 | Very high | 90 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 174.8 | 178.7 | -119.3 | 0 | 0 | 0 | 112.2 | H791 S792 R793 N797 K798 L799 V860 W863 W864 Y902 M910 | H791-F795 PolarHBondContact O-N 2.9Å; S792-F795 WeakPolarHBondContact O-CB 3.49Å; S792-F795 PolarHBondContact O-N 2.84Å; R793-F795 VanDerWaalsContact C-N 3.29Å; R793-F795 PolarHBondContact O-N 3.27Å; F795-N797 VanDerWaalsContact C-N 3.27Å; F795-N797 PolarHBondContact O-N 3.47Å; F795-K798 WeakPolarHBondContact O-CB 3.49Å; F795-K798 PolarHBondContact O-N 2.87Å; F795-L799 HydrophobicContact CD1-CD1 4.24Å; F795-L799 HydrophobicContact CE1-CD1 3.79Å; F795-L799 HydrophobicContact CE2-CD1 4.41Å; F795-L799 HydrophobicContact CE2-CG 4.46Å; F795-L799 HydrophobicContact CZ-CD1 3.92Å; F795-L799 HydrophobicContact CZ-CG 4.38Å; F795-L799 PolarHBondContact O-N 3.24Å; F795-V860 HydrophobicContact CD1-CG2 3.93Å; F795-V860 HydrophobicContact CD2-CG1 4.06Å; F795-V860 HydrophobicContact CD2-CG2 4.19Å; F795-V860 HydrophobicContact CE1-CG2 3.66Å; F795-V860 HydrophobicContact CE2-CB 4.12Å; F795-V860 HydrophobicContact CE2-CG1 4.07Å; F795-V860 HydrophobicContact CE2-CG2 3.93Å; F795-V860 HydrophobicContact CG-CG2 4.16Å; F795-V860 HydrophobicContact CZ-CB 4.17Å; F795-V860 HydrophobicContact CZ-CG2 3.62Å; F795-W863 HydrophobicContact CE2-CB 4.45Å; F795-W864 HydrophobicContact CB-CE3 4.44Å; F795-W864 HydrophobicContact CB-CZ3 4.04Å; F795-W864 AromaticContact CD2-CE3 3.78Å; F795-W864 HydrophobicContact CD2-CE3 3.78Å; F795-W864 HydrophobicContact CD2-CZ3 4.21Å; F795-Y902 VanDerWaalsContact CZ-OH 3.28Å; F795-Y902 WeakPolarHBondContact CZ-OH 3.38Å; F795-M910 HydrophobicContact CD1-SD 4.25Å; F795-M910 HydrophobicContact CE1-SD 3.96Å |
| 796 | C | 95.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.4 | -43.6 | 172 | -58 | 0 | 0 | 0 | 0 | 111.5 | Y177 S792 R793 L799 W800 M910 L913 | Y177-C796 HydrophobicContact CD1-CB 3.57Å; Y177-C796 HydrophobicContact CD2-CB 4.22Å; Y177-C796 HydrophobicContact CE1-CB 3.47Å; Y177-C796 VanDerWaalsContact CE1-CB 3.47Å; Y177-C796 HydrophobicContact CE2-CB 4.13Å; Y177-C796 HydrophobicContact CG-CB 3.95Å; S792-C796 PolarHBondContact O-N 3.46Å; S792-C796 PolarHBondContact O-SG 2.92Å; R793-C796 WeakPolarHBondContact O-CB 3.44Å; R793-C796 PolarHBondContact O-N 2.76Å; C796-L799 WeakPolarHBondContact O-CB 3.03Å; C796-L799 PolarHBondContact O-N 3.01Å; C796-W800 WeakPolarHBondContact O-CB 3.31Å; C796-W800 PolarHBondContact O-N 2.8Å; C796-M910 HydrophobicContact CB-CE 4.36Å; C796-M910 WeakPolarHBondContact SG-CE 3.22Å; C796-L913 HydrophobicContact CB-CD2 4.07Å |
| 797 | N | 94.3 | Very high | 90.6 | Very high | 52 Ų | 52 | 41.6 Ų | 41.6 | 28% | 0.278 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.5 | -34.8 | 176.4 | -172.1 | 63.5 | 0 | 0 | 0 | 113.1 | Y177 R793 R794 F795 W800 Q801 | Y177-N797 PolarHBondContact N-OD1 2.93Å; R793-N797 PolarHBondContact O-N 3.48Å; R793-N797 VanDerWaalsContact O-N 3.13Å; R794-N797 PolarHBondContact O-N 3.41Å; F795-N797 VanDerWaalsContact C-N 3.27Å; F795-N797 PolarHBondContact O-N 3.47Å; N797-W800 PolarHBondContact O-N 2.66Å; N797-Q801 VanDerWaalsContact O-CG 3.29Å; N797-Q801 WeakPolarHBondContact O-CG 3.41Å; N797-Q801 PolarHBondContact O-N 3.43Å |
| 798 | K | 95.6 | Very high | 90.6 | Very high | 56 Ų | 56 | 45.8 Ų | 45.8 | 24% | 0.243 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.2 | -45.1 | 174.3 | -175 | 77.5 | 169.8 | -170.7 | 0 | 110.5 | R794 F795 Q801 S802 W864 D869 | R794-K798 PolarHBondContact O-N 3.23Å; F795-K798 WeakPolarHBondContact O-CB 3.49Å; F795-K798 PolarHBondContact O-N 2.87Å; K798-Q801 PolarHBondContact O-N 2.7Å; K798-S802 WeakPolarHBondContact O-CB 3.36Å; K798-S802 PolarHBondContact O-N 3.36Å; K798-S802 PolarHBondContact O-OG 2.92Å; K798-S802 VanDerWaalsContact O-OG 3.1Å; K798-W864 HydrophobicContact CG-CD2 4.21Å; K798-W864 HydrophobicContact CG-CE3 4.49Å; K798-W864 HydrophobicContact CG-CG 4.48Å; K798-D869 IonicContact NZ-OD1 3.29Å; K798-D869 PolarHBondContact NZ-OD1 3.31Å |
| 799 | L | 95.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.5 | -53.6 | 172.7 | -79.5 | 164.4 | 0 | 0 | 0 | 110.9 | F795 C796 Q801 S802 F803 W863 Y902 L906 M910 L913 L917 | F795-L799 HydrophobicContact CD1-CD1 4.24Å; F795-L799 HydrophobicContact CE1-CD1 3.79Å; F795-L799 HydrophobicContact CE2-CD1 4.41Å; F795-L799 HydrophobicContact CE2-CG 4.46Å; F795-L799 HydrophobicContact CZ-CD1 3.92Å; F795-L799 HydrophobicContact CZ-CG 4.38Å; F795-L799 PolarHBondContact O-N 3.24Å; C796-L799 WeakPolarHBondContact O-CB 3.03Å; C796-L799 PolarHBondContact O-N 3.01Å; L799-Q801 PolarHBondContact O-N 3.1Å; L799-S802 WeakPolarHBondContact CA-OG 3.48Å; L799-S802 PolarHBondContact O-N 2.99Å; L799-S802 VanDerWaalsContact O-N 3.17Å; L799-S802 PolarHBondContact O-OG 3.17Å; L799-F803 HydrophobicContact CD2-CE2 4.39Å; L799-F803 WeakPolarHBondContact O-CD2 3.45Å; L799-F803 PolarHBondContact O-N 3.17Å; L799-W863 VanDerWaalsContact CD2-CD1 3.48Å; L799-W863 HydrophobicContact CD2-CD2 3.98Å; L799-W863 HydrophobicContact CD2-CG 3.86Å; L799-W863 HydrophobicContact CD2-CZ2 4.36Å; L799-Y902 HydrophobicContact CD2-CD1 4.45Å; L799-Y902 HydrophobicContact CD2-CE1 3.61Å; L799-L906 HydrophobicContact CD1-CD2 3.88Å; L799-M910 HydrophobicContact CD1-CE 4.33Å; L799-M910 HydrophobicContact CD1-SD 4.22Å; L799-L913 HydrophobicContact CB-CD2 4.08Å; L799-L913 HydrophobicContact CD1-CD2 3.95Å; L799-L917 HydrophobicContact CB-CD1 4.14Å |
| 800 | W | 94.6 | Very high | 90.1 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 5% | 0.045 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53.3 | -50.6 | 178.4 | -175.3 | -97.1 | 0 | 0 | 0 | 113.3 | A173 P174 Y177 F181 V182 C796 N797 S802 F803 K804 L913 E916 L917 | A173-W800 HydrophobicContact CB-CH2 4.31Å; A173-W800 HydrophobicContact CB-CZ2 4.01Å; P174-W800 HydrophobicContact CG-CH2 4.24Å; P174-W800 HydrophobicContact CG-CZ2 3.67Å; P174-W800 PolarHBondContact O-NE1 3.17Å; Y177-W800 HydrophobicContact CD2-CE3 4.39Å; F181-W800 AromaticContact CD1-CH2 3.91Å; F181-W800 HydrophobicContact CD1-CH2 3.91Å; F181-W800 AromaticContact CE1-CH2 3.76Å; F181-W800 HydrophobicContact CE1-CH2 3.76Å; V182-W800 HydrophobicContact CG2-CE3 4.07Å; V182-W800 HydrophobicContact CG2-CH2 4.31Å; V182-W800 HydrophobicContact CG2-CZ3 3.6Å; C796-W800 WeakPolarHBondContact O-CB 3.31Å; C796-W800 PolarHBondContact O-N 2.8Å; N797-W800 PolarHBondContact O-N 2.66Å; W800-S802 PolarHBondContact O-N 3.27Å; W800-F803 PolarHBondContact O-N 2.94Å; W800-K804 WeakPolarHBondContact O-CB 3.16Å; W800-K804 PolarHBondContact O-N 3.42Å; W800-L913 HydrophobicContact CE3-CD1 4.21Å; W800-E916 HydrophobicContact CZ3-CG 4.09Å; W800-L917 HydrophobicContact CE3-CD2 4.36Å |
| 801 | Q | 93 | Very high | 89.1 | Confident | 70 Ų | 70 | 47 Ų | 47 | 33% | 0.327 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.2 | -38.6 | -179.8 | -65.9 | -57.6 | -24.8 | 0 | 0 | 112.4 | A175 N797 K798 L799 Y805 | A175-Q801 PolarHBondContact O-NE2 3.35Å; N797-Q801 VanDerWaalsContact O-CG 3.29Å; N797-Q801 WeakPolarHBondContact O-CG 3.41Å; N797-Q801 PolarHBondContact O-N 3.43Å; K798-Q801 PolarHBondContact O-N 2.7Å; L799-Q801 PolarHBondContact O-N 3.1Å; Q801-Y805 PolarHBondContact O-N 2.97Å |
| 802 | S | 94.5 | Very high | 87.6 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 5% | 0.049 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -45.7 | 176.9 | 63.9 | 0 | 0 | 0 | 0 | 111.2 | K798 L799 W800 Y805 L806 W863 | K798-S802 WeakPolarHBondContact O-CB 3.36Å; K798-S802 PolarHBondContact O-N 3.36Å; K798-S802 PolarHBondContact O-OG 2.92Å; K798-S802 VanDerWaalsContact O-OG 3.1Å; L799-S802 WeakPolarHBondContact CA-OG 3.48Å; L799-S802 PolarHBondContact O-N 2.99Å; L799-S802 VanDerWaalsContact O-N 3.17Å; L799-S802 PolarHBondContact O-OG 3.17Å; W800-S802 PolarHBondContact O-N 3.27Å; S802-Y805 WeakPolarHBondContact O-CB 3.34Å; S802-Y805 PolarHBondContact O-N 3.14Å; S802-L806 WeakPolarHBondContact O-CG 3.41Å; S802-L806 PolarHBondContact O-N 3.47Å; S802-W863 PolarHBondContact OG-NE1 2.97Å |
| 803 | F | 92.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.4 | -39.3 | 178.4 | -90.3 | -97 | 0 | 0 | 0 | 113 | L799 W800 Y805 L806 T807 W810 W863 A899 L903 L917 L921 | L799-F803 HydrophobicContact CD2-CE2 4.39Å; L799-F803 WeakPolarHBondContact O-CD2 3.45Å; L799-F803 PolarHBondContact O-N 3.17Å; W800-F803 PolarHBondContact O-N 2.94Å; F803-Y805 PolarHBondContact O-N 3.41Å; F803-L806 HydrophobicContact CD1-CD1 4.47Å; F803-L806 HydrophobicContact CG-CD1 4.48Å; F803-L806 CarbonylContact O-C 3.57Å; F803-L806 WeakPolarHBondContact O-CA 3.36Å; F803-L806 PolarHBondContact O-N 3.12Å; F803-T807 PolarHBondContact O-N 2.91Å; F803-T807 PolarHBondContact O-OG1 2.97Å; F803-W810 HydrophobicContact CD1-CH2 4.42Å; F803-W810 HydrophobicContact CD1-CZ3 4.34Å; F803-W810 HydrophobicContact CE1-CH2 4.23Å; F803-W810 HydrophobicContact CE1-CZ3 4.47Å; F803-W863 HydrophobicContact CD2-CH2 4.43Å; F803-W863 AromaticContact CD2-CZ2 3.82Å; F803-W863 HydrophobicContact CD2-CZ2 3.82Å; F803-W863 AromaticContact CE2-CH2 3.54Å; F803-W863 HydrophobicContact CE2-CH2 3.54Å; F803-W863 AromaticContact CE2-CZ2 3.28Å; F803-W863 HydrophobicContact CE2-CZ2 3.28Å; F803-W863 AromaticContact CZ-CH2 3.92Å; F803-W863 HydrophobicContact CZ-CH2 3.92Å; F803-W863 HydrophobicContact CZ-CZ2 4.12Å; F803-A899 HydrophobicContact CE1-CB 4.03Å; F803-A899 HydrophobicContact CZ-CB 3.79Å; F803-L903 HydrophobicContact CE1-CD1 3.56Å; F803-L903 HydrophobicContact CE1-CG 4.34Å; F803-L903 HydrophobicContact CE2-CD1 4.47Å; F803-L903 HydrophobicContact CE2-CD2 4.19Å; F803-L903 HydrophobicContact CE2-CG 4.44Å; F803-L903 HydrophobicContact CZ-CD1 3.41Å; F803-L903 VanDerWaalsContact CZ-CD1 3.41Å; F803-L903 HydrophobicContact CZ-CD2 3.86Å; F803-L903 HydrophobicContact CZ-CG 3.68Å; F803-L917 HydrophobicContact CB-CD1 4.46Å; F803-L917 HydrophobicContact CB-CD2 3.59Å; F803-L917 HydrophobicContact CB-CG 4.5Å; F803-L917 HydrophobicContact CD1-CB 3.93Å; F803-L917 HydrophobicContact CD1-CD2 4.15Å; F803-L917 HydrophobicContact CD1-CG 4.42Å; F803-L917 HydrophobicContact CD2-CB 4.44Å; F803-L917 HydrophobicContact CD2-CD1 3.66Å; F803-L917 HydrophobicContact CD2-CD2 4.3Å; F803-L917 HydrophobicContact CD2-CG 4.35Å; F803-L917 HydrophobicContact CE1-CB 4Å; F803-L917 HydrophobicContact CE2-CB 4.47Å; F803-L917 HydrophobicContact CE2-CD1 3.96Å; F803-L917 HydrophobicContact CG-CB 4.16Å; F803-L917 HydrophobicContact CG-CD1 3.97Å; F803-L917 HydrophobicContact CG-CD2 3.75Å; F803-L917 HydrophobicContact CG-CG 4.17Å; F803-L917 HydrophobicContact CZ-CB 4.27Å; F803-L921 HydrophobicContact CE1-CD2 4.25Å |
| 804 | K | 87 | Confident | 83.7 | Confident | 103 Ų | 103 | 57 Ų | 57 | 45% | 0.448 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -54.6 | -38.1 | 171.8 | -175.2 | 174 | -178.1 | 167.3 | 0 | 112.2 | W800 K808 | W800-K804 WeakPolarHBondContact O-CB 3.16Å; W800-K804 PolarHBondContact O-N 3.42Å; K804-K808 PolarHBondContact O-N 3.21Å |
| 805 | Y | 88.3 | Confident | 81.7 | Confident | 51 Ų | 51 | 55.1 Ų | 55.1 | 20% | 0.2 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.9 | -43.7 | 173.4 | 175.6 | -99.2 | 0 | 0 | 0 | 112.2 | Q801 S802 F803 K808 L809 L872 K876 | Q801-Y805 PolarHBondContact O-N 2.97Å; S802-Y805 WeakPolarHBondContact O-CB 3.34Å; S802-Y805 PolarHBondContact O-N 3.14Å; F803-Y805 PolarHBondContact O-N 3.41Å; Y805-K808 WeakPolarHBondContact O-CB 3.38Å; Y805-K808 PolarHBondContact O-N 2.66Å; Y805-L809 HydrophobicContact CD1-CD1 4.13Å; Y805-L809 HydrophobicContact CE1-CD1 3.47Å; Y805-L809 VanDerWaalsContact CE1-CD1 3.47Å; Y805-L809 HydrophobicContact CE1-CG 4.15Å; Y805-L809 PolarHBondContact O-N 3.07Å; Y805-L872 HydrophobicContact CD1-CD1 3.8Å; Y805-L872 HydrophobicContact CD1-CD2 4.14Å; Y805-L872 HydrophobicContact CD1-CG 4.14Å; Y805-L872 HydrophobicContact CE1-CD1 3.76Å; Y805-L872 HydrophobicContact CE1-CG 4.14Å; Y805-K876 HydrophobicContact CE1-CG 4.37Å; Y805-K876 WeakPolarHBondContact OH-CG 3.29Å |
| 806 | L | 89 | Confident | 80 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 177.2 | -65.8 | 176.8 | 0 | 0 | 0 | 112.8 | S802 F803 K808 L809 W810 W863 F867 L872 L895 A899 | S802-L806 WeakPolarHBondContact O-CG 3.41Å; S802-L806 PolarHBondContact O-N 3.47Å; F803-L806 HydrophobicContact CD1-CD1 4.47Å; F803-L806 HydrophobicContact CG-CD1 4.48Å; F803-L806 CarbonylContact O-C 3.57Å; F803-L806 WeakPolarHBondContact O-CA 3.36Å; F803-L806 PolarHBondContact O-N 3.12Å; L806-K808 PolarHBondContact O-N 3.35Å; L806-L809 HydrophobicContact CD2-CD1 4.5Å; L806-L809 WeakPolarHBondContact O-CA 3.41Å; L806-L809 VanDerWaalsContact O-CB 3.31Å; L806-L809 WeakPolarHBondContact O-CB 3.39Å; L806-L809 PolarHBondContact O-N 2.9Å; L806-W810 HydrophobicContact CB-CD2 4.33Å; L806-W810 HydrophobicContact CB-CE3 4.13Å; L806-W810 HydrophobicContact CB-CH2 3.6Å; L806-W810 HydrophobicContact CB-CZ2 3.83Å; L806-W810 HydrophobicContact CB-CZ3 3.77Å; L806-W810 HydrophobicContact CD1-CH2 3.85Å; L806-W810 HydrophobicContact CD1-CZ2 4.13Å; L806-W810 HydrophobicContact CG-CH2 4.29Å; L806-W810 HydrophobicContact CG-CZ2 4.37Å; L806-W810 PolarHBondContact O-N 3.36Å; L806-W863 HydrophobicContact CD1-CH2 4.36Å; L806-W863 HydrophobicContact CD1-CZ2 4.39Å; L806-F867 HydrophobicContact CD1-CE1 4.33Å; L806-F867 HydrophobicContact CD1-CZ 4.19Å; L806-F867 HydrophobicContact CD2-CZ 4.42Å; L806-L872 HydrophobicContact CD2-CD1 3.71Å; L806-L895 HydrophobicContact CD2-CB 4.06Å; L806-L895 HydrophobicContact CD2-CD1 3.9Å; L806-L895 HydrophobicContact CD2-CD2 4.03Å; L806-L895 HydrophobicContact CD2-CG 4.22Å; L806-A899 HydrophobicContact CD1-CB 4.44Å |
| 807 | T | 82.8 | Confident | 78.4 | Confident | 23 Ų | 23 | 59 Ų | 59 | 14% | 0.141 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.4 | -37.6 | 176.4 | -49.7 | 0 | 0 | 0 | 0 | 111.3 | F803 L809 W810 N811 | F803-T807 PolarHBondContact O-N 2.91Å; F803-T807 PolarHBondContact O-OG1 2.97Å; T807-L809 VanDerWaalsContact C-N 3.26Å; T807-L809 PolarHBondContact O-N 3.46Å; T807-W810 PolarHBondContact O-N 2.92Å; T807-N811 WeakPolarHBondContact O-CB 3.34Å; T807-N811 VanDerWaalsContact O-CG 3.24Å; T807-N811 PolarHBondContact O-N 3.4Å; T807-N811 PolarHBondContact O-OD1 2.84Å |
| 808 | K | 81 | Confident | 76.5 | Confident | 150 Ų | 150 | 60.5 Ų | 60.5 | 65% | 0.652 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64 | -29.8 | 173.6 | -171.7 | 178 | -179.9 | 177.9 | 0 | 112.9 | K804 Y805 L806 | K804-K808 PolarHBondContact O-N 3.21Å; Y805-K808 WeakPolarHBondContact O-CB 3.38Å; Y805-K808 PolarHBondContact O-N 2.66Å; L806-K808 PolarHBondContact O-N 3.35Å |
| 809 | L | 80.5 | Confident | 74.7 | Confident | 16 Ų | 16 | 63.2 Ų | 63.2 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -77.4 | -35.4 | 175.2 | -63.9 | 177 | 0 | 0 | 0 | 112.3 | Y805 L806 T807 F879 R892 L895 | Y805-L809 HydrophobicContact CD1-CD1 4.13Å; Y805-L809 HydrophobicContact CE1-CD1 3.47Å; Y805-L809 VanDerWaalsContact CE1-CD1 3.47Å; Y805-L809 HydrophobicContact CE1-CG 4.15Å; Y805-L809 PolarHBondContact O-N 3.07Å; L806-L809 HydrophobicContact CD2-CD1 4.5Å; L806-L809 WeakPolarHBondContact O-CA 3.41Å; L806-L809 VanDerWaalsContact O-CB 3.31Å; L806-L809 WeakPolarHBondContact O-CB 3.39Å; L806-L809 PolarHBondContact O-N 2.9Å; T807-L809 VanDerWaalsContact C-N 3.26Å; T807-L809 PolarHBondContact O-N 3.46Å; L809-F879 HydrophobicContact CD1-CD2 4.11Å; L809-F879 HydrophobicContact CD1-CE2 3.75Å; L809-F879 HydrophobicContact CD1-CZ 4.17Å; L809-F879 HydrophobicContact CD2-CB 4.29Å; L809-F879 HydrophobicContact CD2-CD1 4.13Å; L809-F879 HydrophobicContact CD2-CD2 3.86Å; L809-F879 HydrophobicContact CD2-CE1 4.44Å; L809-F879 HydrophobicContact CD2-CE2 4.19Å; L809-F879 HydrophobicContact CD2-CG 3.82Å; L809-F879 HydrophobicContact CD2-CZ 4.47Å; L809-R892 PolarHBondContact O-NE 2.83Å; L809-L895 HydrophobicContact CD1-CD1 3.97Å |
| 810 | W | 79.2 | Confident | 73.2 | Confident | 3 Ų | 3 | 71.3 Ų | 71.3 | 1% | 0.011 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -78.9 | -34.9 | -179.2 | -62.9 | -39 | 0 | 0 | 0 | 114 | F803 L806 T807 K812 T813 R892 A896 A899 L921 P922 | F803-W810 HydrophobicContact CD1-CH2 4.42Å; F803-W810 HydrophobicContact CD1-CZ3 4.34Å; F803-W810 HydrophobicContact CE1-CH2 4.23Å; F803-W810 HydrophobicContact CE1-CZ3 4.47Å; L806-W810 HydrophobicContact CB-CD2 4.33Å; L806-W810 HydrophobicContact CB-CE3 4.13Å; L806-W810 HydrophobicContact CB-CH2 3.6Å; L806-W810 HydrophobicContact CB-CZ2 3.83Å; L806-W810 HydrophobicContact CB-CZ3 3.77Å; L806-W810 HydrophobicContact CD1-CH2 3.85Å; L806-W810 HydrophobicContact CD1-CZ2 4.13Å; L806-W810 HydrophobicContact CG-CH2 4.29Å; L806-W810 HydrophobicContact CG-CZ2 4.37Å; L806-W810 PolarHBondContact O-N 3.36Å; T807-W810 PolarHBondContact O-N 2.92Å; W810-K812 PolarHBondContact O-N 2.89Å; W810-T813 PolarHBondContact O-N 3.48Å; W810-T813 VanDerWaalsContact O-N 3.12Å; W810-T813 PolarHBondContact O-OG1 2.87Å; W810-R892 PolarHBondContact NE1-O 3.3Å; W810-A896 HydrophobicContact CZ2-CB 4.14Å; W810-A899 HydrophobicContact CH2-CB 4.02Å; W810-A899 HydrophobicContact CZ2-CB 4.32Å; W810-L921 HydrophobicContact CH2-CD2 3.61Å; W810-L921 HydrophobicContact CZ2-CD2 4.35Å; W810-L921 HydrophobicContact CZ3-CD2 3.97Å; W810-P922 HydrophobicContact CB-CB 4.23Å; W810-P922 HydrophobicContact CB-CG 3.83Å; W810-P922 HydrophobicContact CD2-CG 3.75Å; W810-P922 HydrophobicContact CE3-CG 4.21Å; W810-P922 HydrophobicContact CG-CB 4.47Å; W810-P922 HydrophobicContact CG-CG 3.56Å |
| 811 | N | 67 | Low | 71.7 | Confident | 118 Ų | 118 | 72 Ų | 72 | 63% | 0.631 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 5.4 | 178.1 | -71.8 | 3.7 | 0 | 0 | 0 | 114.5 | T807 | T807-N811 WeakPolarHBondContact O-CB 3.34Å; T807-N811 VanDerWaalsContact O-CG 3.24Å; T807-N811 PolarHBondContact O-N 3.4Å; T807-N811 PolarHBondContact O-OD1 2.84Å |
| 812 | K | 57.7 | Low | 70.2 | Confident | 158 Ų | 158 | 76.5 Ų | 76.5 | 69% | 0.687 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -1.2 | 175.7 | -71 | -170.4 | 172.2 | -167.8 | 0 | 113.7 | W810 | W810-K812 PolarHBondContact O-N 2.89Š|
| 813 | T | 52.2 | Low | 68.5 | Low | 40 Ų | 40 | 82.7 Ų | 82.7 | 25% | 0.245 | 42% | 0.418 | C | S | . | . | trans | -116.8 | 122.9 | -179.4 | 41.8 | 0 | 0 | 0 | 0 | 109.5 | W810 I815 | W810-T813 PolarHBondContact O-N 3.48Å; W810-T813 VanDerWaalsContact O-N 3.12Å; W810-T813 PolarHBondContact O-OG1 2.87Å; T813-I815 VanDerWaalsContact C-N 3.29Å | ||
| 814 | E | 49.2 | Very low | 67.1 | Low | 168 Ų | 168 | 87.9 Ų | 87.9 | 79% | 0.785 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -76.5 | -18.4 | 175.7 | -71.9 | 176.6 | 174.4 | 0 | 0 | 112.5 | ||
| 815 | I | 50.7 | Low | 66.5 | Low | 128 Ų | 128 | 89.8 Ų | 89.8 | 66% | 0.656 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -100.5 | 129.7 | -174.7 | -56.3 | 164.2 | 0 | 0 | 0 | 109.2 | T813 L817 | T813-I815 VanDerWaalsContact C-N 3.29Å; I815-L817 PolarHBondContact O-N 3.18Å |
| 816 | P | 58.8 | Low | 66.4 | Low | 73 Ų | 73 | 87.8 Ų | 87.8 | 47% | 0.474 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 131.3 | 170.5 | -23.4 | 32.4 | 0 | 0 | 0 | 111 | A924 | P816-A924 HydrophobicContact CB-CB 3.59Å; P816-A924 HydrophobicContact CG-CB 4.26Å |
| 817 | L | 62.1 | Low | 66.4 | Low | 9 Ų | 9 | 89.5 Ų | 89.5 | 5% | 0.047 | 46% | 0.458 | C | S | . | . | B | Isolated β-bridge | trans | -70.2 | 138 | -174 | -64.2 | 169.2 | 0 | 0 | 0 | 110.8 | I815 R892 A896 P922 | I815-L817 PolarHBondContact O-N 3.18Å; L817-R892 HydrophobicContact CD1-CB 3.94Å; L817-R892 HydrophobicContact CD2-CB 4.09Å; L817-A896 HydrophobicContact CD1-CB 3.88Å; L817-P922 HydrophobicContact CD1-CG 3.78Å; L817-P922 HydrophobicContact CG-CG 4.48Å; L817-P922 PolarHBondContact N-O 3.27Å |
| 818 | P | 56.4 | Low | 66.9 | Low | 84 Ų | 84 | 88.6 Ų | 88.6 | 55% | 0.545 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 146.7 | 175.1 | 23.8 | -31.8 | 0 | 0 | 0 | 112.3 | K820 | P818-K820 VanDerWaalsContact C-N 3.32Å; P818-K820 PolarHBondContact O-N 2.83Å |
| 819 | L | 56.9 | Low | 67.3 | Low | 114 Ų | 114 | 81.6 Ų | 81.6 | 60% | 0.597 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -56.5 | -40.3 | -175.6 | -96.1 | 99.3 | 0 | 0 | 0 | 114.2 | D925 | L819-D925 HydrophobicContact CD1-CB 4.47Å; L819-D925 VanDerWaalsContact CD1-CG 3.49Å; L819-D925 VanDerWaalsContact CD1-OD2 3.27Å; L819-D925 WeakPolarHBondContact CD1-OD2 3.11Å |
| 820 | K | 63.5 | Low | 67.8 | Low | 170 Ų | 170 | 85.4 Ų | 85.4 | 74% | 0.739 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -119 | 120.8 | -173.9 | -78 | -177.8 | 177.7 | 178.1 | 0 | 109 | P818 | P818-K820 VanDerWaalsContact C-N 3.32Å; P818-K820 PolarHBondContact O-N 2.83Å |
| 821 | P | 63.2 | Low | 68.5 | Low | 26 Ų | 26 | 85.5 Ų | 85.5 | 17% | 0.169 | 44% | 0.436 | C | S | . | . | trans | -62.8 | 145.6 | 171.6 | 24.8 | -27.3 | 0 | 0 | 0 | 108.9 | C893 M894 M897 | P821-C893 HydrophobicContact CB-CB 4.09Å; P821-M894 HydrophobicContact CB-CG 4.19Å; P821-M894 HydrophobicContact CB-SD 4.3Å; P821-M894 HydrophobicContact CG-CG 4.03Å; P821-M894 HydrophobicContact CG-SD 3.54Å; P821-M894 VanDerWaalsContact CG-SD 3.54Å; P821-M897 HydrophobicContact CG-CE 3.51Å | ||
| 822 | E | 62.4 | Low | 69.8 | Low | 165 Ų | 165 | 79.9 Ų | 79.9 | 77% | 0.771 | 41% | 0.406 | S | S | * | . | trans | -58.1 | 145.1 | 169.2 | -69.5 | -169 | 165.4 | 0 | 0 | 109.8 | Y824 | E822-Y824 PolarHBondContact O-N 3.45Š| ||
| 823 | P | 59.5 | Low | 71.5 | Confident | 137 Ų | 137 | 73.9 Ų | 73.9 | 89% | 0.89 | 38% | 0.381 | S | S | * | . | trans | -60.2 | 108.5 | -180 | 21.9 | -30.7 | 0 | 0 | 0 | 110.4 | ||||
| 824 | Y | 62.2 | Low | 73.5 | Confident | 109 Ų | 109 | 72 Ų | 72 | 43% | 0.427 | 37% | 0.369 | S | S | . | . | trans | -106.2 | 126.8 | 178.3 | -157.9 | -100.3 | 0 | 0 | 0 | 109.5 | E822 S826 H890 | E822-Y824 PolarHBondContact O-N 3.45Å; Y824-S826 PolarHBondContact O-N 2.89Å; Y824-H890 WeakPolarHBondContact CB-CE1 3.19Å; Y824-H890 VanDerWaalsContact CB-NE2 3.26Å; Y824-H890 WeakPolarHBondContact CB-NE2 3.19Å; Y824-H890 AromaticContact CD1-CD2 3.88Å; Y824-H890 AromaticContact CD1-NE2 3.94Å; Y824-H890 AromaticContact CG-CD2 3.71Å; Y824-H890 AromaticContact CG-NE2 3.71Å | ||
| 825 | D | 73.3 | Confident | 75.7 | Confident | 143 Ų | 143 | 66.2 Ų | 66.2 | 77% | 0.765 | 34% | 0.34 | S | S | * | . | trans | -80.1 | 53.6 | -171.6 | -163.8 | 23.1 | 0 | 0 | 0 | 112.9 | ||||
| 826 | S | 86.6 | Confident | 77.8 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 7% | 0.07 | 31% | 0.309 | C | S | . | . | trans | -104 | 118.1 | 177.6 | 169.9 | 0 | 0 | 0 | 0 | 110.1 | Y824 V828 D829 R830 | Y824-S826 PolarHBondContact O-N 2.89Å; S826-V828 PolarHBondContact O-N 2.92Å; S826-V828 VanDerWaalsContact O-N 3.17Å; S826-V828 PolarHBondContact OG-N 3.09Å; S826-D829 WeakPolarHBondContact CB-OD2 3.43Å; S826-D829 PolarHBondContact O-N 2.89Å; S826-D829 VanDerWaalsContact O-N 3.11Å; S826-D829 PolarHBondContact OG-N 3.26Å; S826-R830 PolarHBondContact O-N 2.82Å | ||
| 827 | P | 90.5 | Very high | 79.6 | Confident | 35 Ų | 35 | 56.7 Ų | 56.7 | 23% | 0.227 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.1 | -29.9 | 174.8 | -26.5 | 34.2 | 0 | 0 | 0 | 113.5 | W831 L948 N993 | P827-W831 VanDerWaalsContact O-CB 3.29Å; P827-W831 WeakPolarHBondContact O-CB 3.37Å; P827-W831 PolarHBondContact O-N 3.44Å; P827-L948 HydrophobicContact CB-CD2 4.39Å; P827-N993 HydrophobicContact CB-CB 3.92Å; P827-N993 HydrophobicContact CG-CB 4.13Å |
| 828 | V | 91.6 | Very high | 81.2 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.024 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.1 | -39.3 | 178.4 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | S826 W831 I832 Y871 W874 F994 L997 | S826-V828 PolarHBondContact O-N 2.92Å; S826-V828 VanDerWaalsContact O-N 3.17Å; S826-V828 PolarHBondContact OG-N 3.09Å; V828-W831 HydrophobicContact CG1-CE3 4.45Å; V828-W831 PolarHBondContact O-N 3.36Å; V828-I832 PolarHBondContact O-N 2.87Å; V828-Y871 HydrophobicContact CG1-CD2 3.96Å; V828-Y871 HydrophobicContact CG1-CE2 4.17Å; V828-W874 HydrophobicContact CG1-CB 4.47Å; V828-W874 HydrophobicContact CG1-CD2 4.35Å; V828-W874 HydrophobicContact CG1-CG 3.89Å; V828-W874 HydrophobicContact CG2-CD2 4.38Å; V828-W874 HydrophobicContact CG2-CZ2 4.24Å; V828-F994 HydrophobicContact CG2-CD1 3.98Å; V828-F994 HydrophobicContact CG2-CE1 4.14Å; V828-L997 HydrophobicContact CG1-CD2 4.45Å; V828-L997 HydrophobicContact CG2-CB 4.29Å; V828-L997 HydrophobicContact CG2-CD2 4.22Å |
| 829 | D | 90.1 | Very high | 83.1 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.2 | -44.2 | 177.8 | -67.2 | -13.6 | 0 | 0 | 0 | 110.5 | S826 W831 I832 L833 Y871 H890 M891 M894 | S826-D829 WeakPolarHBondContact CB-OD2 3.43Å; S826-D829 PolarHBondContact O-N 2.89Å; S826-D829 VanDerWaalsContact O-N 3.11Å; S826-D829 PolarHBondContact OG-N 3.26Å; D829-W831 VanDerWaalsContact C-N 3.32Å; D829-W831 PolarHBondContact O-N 3.38Å; D829-I832 WeakPolarHBondContact O-CG2 3.45Å; D829-I832 PolarHBondContact O-N 3.05Å; D829-L833 VanDerWaalsContact O-CG 3.32Å; D829-L833 WeakPolarHBondContact O-CG 3.32Å; D829-L833 PolarHBondContact O-N 3.48Å; D829-Y871 VanDerWaalsContact OD1-CE2 3.22Å; D829-Y871 WeakPolarHBondContact OD1-CE2 3.36Å; D829-Y871 PolarHBondContact OD1-OH 2.78Å; D829-H890 IonicContact OD2-CD2 3.59Å; D829-H890 IonicContact OD2-NE2 3.44Å; D829-H890 PolarHBondContact OD2-NE2 3.4Å; D829-M891 VanDerWaalsContact OD1-CE 3.31Å; D829-M891 WeakPolarHBondContact OD1-CE 3.27Å; D829-M891 WeakPolarHBondContact OD2-CE 2.83Å; D829-M894 HydrophobicContact CB-CE 4.1Å |
| 830 | R | 91.4 | Very high | 85 | Confident | 95 Ų | 95 | 47.8 Ų | 47.8 | 36% | 0.358 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59 | -43.5 | 173 | -71 | 178.6 | 55 | 171.8 | -1.1 | 111.9 | S826 L833 S834 F943 D945 L948 | S826-R830 PolarHBondContact O-N 2.82Å; R830-L833 PolarHBondContact O-N 3.11Å; R830-S834 PolarHBondContact O-N 3.1Å; R830-F943 HydrophobicContact CB-CE1 3.66Å; R830-F943 HydrophobicContact CB-CZ 3.78Å; R830-F943 HydrophobicContact CG-CE1 4.06Å; R830-F943 HydrophobicContact CG-CZ 3.65Å; R830-F943 WeakPolarHBondContact O-CD1 3.42Å; R830-F943 WeakPolarHBondContact O-CE1 3.49Å; R830-D945 IonicContact CZ-OD2 3.76Å; R830-D945 IonicContact NE-OD2 2.71Å; R830-D945 IonicContact NH2-OD2 3.21Å; R830-D945 PolarHBondContact NH2-OD2 3.47Å; R830-L948 HydrophobicContact CB-CD1 3.55Å |
| 831 | W | 94.3 | Very high | 86.5 | Confident | 6 Ų | 6 | 41.6 Ų | 41.6 | 2% | 0.023 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.1 | -47.6 | 177.1 | 165.2 | 72.7 | 0 | 0 | 0 | 112.4 | P827 V828 D829 L833 S834 R835 D866 I870 M952 F994 | P827-W831 VanDerWaalsContact O-CB 3.29Å; P827-W831 WeakPolarHBondContact O-CB 3.37Å; P827-W831 PolarHBondContact O-N 3.44Å; V828-W831 HydrophobicContact CG1-CE3 4.45Å; V828-W831 PolarHBondContact O-N 3.36Å; D829-W831 VanDerWaalsContact C-N 3.32Å; D829-W831 PolarHBondContact O-N 3.38Å; W831-L833 VanDerWaalsContact C-N 3.29Å; W831-L833 PolarHBondContact O-N 3.11Å; W831-S834 WeakPolarHBondContact O-CA 3.5Å; W831-S834 WeakPolarHBondContact O-CB 3.45Å; W831-S834 PolarHBondContact O-N 2.88Å; W831-S834 VanDerWaalsContact O-N 3.11Å; W831-R835 HydrophobicContact CD2-CG 4.3Å; W831-R835 HydrophobicContact CZ2-CG 3.8Å; W831-R835 PolarHBondContact O-N 3.37Å; W831-D866 HydrophobicContact CH2-CB 3.96Å; W831-D866 HydrophobicContact CZ2-CB 4.15Å; W831-I870 HydrophobicContact CH2-CB 4.1Å; W831-I870 HydrophobicContact CH2-CD1 3.85Å; W831-I870 HydrophobicContact CH2-CG2 3.85Å; W831-I870 HydrophobicContact CZ2-CD1 4.37Å; W831-I870 HydrophobicContact CZ3-CB 4.28Å; W831-I870 HydrophobicContact CZ3-CG2 3.67Å; W831-M952 VanDerWaalsContact CD1-CB 3.47Å; W831-M952 HydrophobicContact CD2-CB 4.27Å; W831-M952 HydrophobicContact CD2-CG 3.76Å; W831-M952 HydrophobicContact CE3-CG 4.46Å; W831-M952 HydrophobicContact CG-CB 4.03Å; W831-M952 HydrophobicContact CG-CG 4.03Å; W831-M952 HydrophobicContact CH2-CE 4.39Å; W831-M952 HydrophobicContact CH2-CG 4.43Å; W831-M952 HydrophobicContact CZ2-CE 4.49Å; W831-M952 HydrophobicContact CZ2-CG 3.73Å; W831-F994 HydrophobicContact CB-CE1 4.24Å; W831-F994 HydrophobicContact CB-CZ 4.15Å |
| 832 | I | 94.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.3 | -32.3 | -178.9 | -165.3 | 64.1 | 0 | 0 | 0 | 111.7 | V828 D829 S834 R835 L836 F862 D866 Y871 M894 I898 | V828-I832 PolarHBondContact O-N 2.87Å; D829-I832 WeakPolarHBondContact O-CG2 3.45Å; D829-I832 PolarHBondContact O-N 3.05Å; I832-S834 VanDerWaalsContact C-N 3.34Å; I832-R835 HydrophobicContact CD1-CB 4.44Å; I832-R835 PolarHBondContact O-N 3.15Å; I832-L836 WeakPolarHBondContact O-CB 3.32Å; I832-L836 PolarHBondContact O-N 2.87Å; I832-F862 HydrophobicContact CD1-CE2 3.85Å; I832-F862 HydrophobicContact CD1-CZ 4.03Å; I832-F862 HydrophobicContact CG1-CZ 4.41Å; I832-D866 HydrophobicContact CD1-CB 4.25Å; I832-Y871 HydrophobicContact CB-CD2 3.73Å; I832-Y871 HydrophobicContact CB-CE2 4.04Å; I832-Y871 HydrophobicContact CB-CG 4.03Å; I832-Y871 HydrophobicContact CD1-CG 4.34Å; I832-Y871 HydrophobicContact CG1-CD1 4.1Å; I832-Y871 HydrophobicContact CG1-CD2 4.07Å; I832-Y871 HydrophobicContact CG1-CG 3.81Å; I832-Y871 HydrophobicContact CG2-CD1 4.24Å; I832-Y871 HydrophobicContact CG2-CD2 3.59Å; I832-Y871 HydrophobicContact CG2-CE1 4.01Å; I832-Y871 HydrophobicContact CG2-CE2 3.36Å; I832-Y871 HydrophobicContact CG2-CG 4.05Å; I832-M894 HydrophobicContact CG2-CE 3.92Å; I832-I898 HydrophobicContact CG1-CD1 4.04Å; I832-I898 HydrophobicContact CG2-CD1 3.92Å |
| 833 | L | 92.3 | Very high | 89.7 | Confident | 32 Ų | 32 | 35.8 Ų | 35.8 | 17% | 0.168 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.5 | -36.1 | 172.2 | -69.5 | 173.8 | 0 | 0 | 0 | 111.8 | D829 R830 W831 L836 S837 M894 M897 F943 | D829-L833 VanDerWaalsContact O-CG 3.32Å; D829-L833 WeakPolarHBondContact O-CG 3.32Å; D829-L833 PolarHBondContact O-N 3.48Å; R830-L833 PolarHBondContact O-N 3.11Å; W831-L833 VanDerWaalsContact C-N 3.29Å; W831-L833 PolarHBondContact O-N 3.11Å; L833-L836 PolarHBondContact O-N 3.42Å; L833-S837 WeakPolarHBondContact O-CB 3.42Å; L833-S837 PolarHBondContact O-N 2.93Å; L833-S837 PolarHBondContact O-OG 3.26Å; L833-M894 HydrophobicContact CD1-CE 4.07Å; L833-M894 HydrophobicContact CD1-SD 4.29Å; L833-M894 HydrophobicContact CD2-CE 3.86Å; L833-M894 HydrophobicContact CD2-SD 4.29Å; L833-M894 HydrophobicContact CG-CE 3.78Å; L833-M894 HydrophobicContact CG-SD 4.49Å; L833-M897 HydrophobicContact CD2-SD 4.23Å; L833-F943 HydrophobicContact CB-CB 4.2Å; L833-F943 HydrophobicContact CB-CD1 3.63Å; L833-F943 HydrophobicContact CB-CE1 4.39Å; L833-F943 HydrophobicContact CB-CG 4.06Å |
| 834 | S | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 169.9 | -167.9 | 0 | 0 | 0 | 0 | 112.3 | R830 W831 I832 L836 S837 S838 F943 D945 E949 | R830-S834 PolarHBondContact O-N 3.1Å; W831-S834 WeakPolarHBondContact O-CA 3.5Å; W831-S834 WeakPolarHBondContact O-CB 3.45Å; W831-S834 PolarHBondContact O-N 2.88Å; W831-S834 VanDerWaalsContact O-N 3.11Å; I832-S834 VanDerWaalsContact C-N 3.34Å; S834-L836 VanDerWaalsContact C-N 3.31Å; S834-L836 PolarHBondContact O-N 3.2Å; S834-S837 PolarHBondContact O-N 3.32Å; S834-S838 WeakPolarHBondContact O-CB 3.36Å; S834-S838 PolarHBondContact O-N 2.92Å; S834-S838 PolarHBondContact O-OG 3.33Å; S834-F943 WeakPolarHBondContact CA-O 3.14Å; S834-F943 PolarHBondContact N-O 3.48Å; S834-D945 PolarHBondContact OG-N 3.14Å; S834-E949 WeakPolarHBondContact CB-OE1 3.33Å; S834-E949 WeakPolarHBondContact OG-CG 3.45Å; S834-E949 PolarHBondContact OG-OE1 2.83Å |
| 835 | R | 95.5 | Very high | 92.9 | Very high | 47 Ų | 47 | 31.8 Ų | 31.8 | 18% | 0.177 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.9 | -35.6 | 175.8 | -66 | -55.3 | -58.8 | 138 | 11 | 112.7 | W831 I832 L839 F862 D866 E949 | W831-R835 HydrophobicContact CD2-CG 4.3Å; W831-R835 HydrophobicContact CZ2-CG 3.8Å; W831-R835 PolarHBondContact O-N 3.37Å; I832-R835 HydrophobicContact CD1-CB 4.44Å; I832-R835 PolarHBondContact O-N 3.15Å; R835-L839 WeakPolarHBondContact O-CB 3.4Å; R835-L839 PolarHBondContact O-N 2.89Å; R835-F862 HydrophobicContact CB-CD2 4.01Å; R835-F862 HydrophobicContact CB-CE2 3.77Å; R835-D866 IonicContact CZ-OD2 3.8Å; R835-D866 IonicContact NE-OD2 2.79Å; R835-D866 PolarHBondContact NE-OD2 3.24Å; R835-D866 IonicContact NH2-OD2 4Å; R835-D866 PolarHBondContact NH2-OD2 2.87Å; R835-E949 WeakPolarHBondContact CD-OE2 3.49Å; R835-E949 IonicContact CZ-OE2 3.18Å; R835-E949 IonicContact NH1-OE1 3.29Å; R835-E949 IonicContact NH1-OE2 3.71Å; R835-E949 PolarHBondContact NH1-OE2 2.82Å |
| 836 | L | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.1 | -42.7 | 175.6 | -175.8 | 67 | 0 | 0 | 0 | 111.1 | I832 L833 S834 L839 V840 F862 I898 T901 V941 | I832-L836 WeakPolarHBondContact O-CB 3.32Å; I832-L836 PolarHBondContact O-N 2.87Å; L833-L836 PolarHBondContact O-N 3.42Å; S834-L836 VanDerWaalsContact C-N 3.31Å; S834-L836 PolarHBondContact O-N 3.2Å; L836-L839 HydrophobicContact CD1-CD2 4.33Å; L836-L839 WeakPolarHBondContact O-CB 3.33Å; L836-L839 PolarHBondContact O-N 2.67Å; L836-V840 WeakPolarHBondContact O-CG2 3.38Å; L836-V840 PolarHBondContact O-N 3.17Å; L836-F862 HydrophobicContact CB-CE2 4.14Å; L836-F862 HydrophobicContact CB-CZ 4.02Å; L836-F862 HydrophobicContact CD1-CE1 4.04Å; L836-F862 HydrophobicContact CD1-CE2 4.45Å; L836-F862 HydrophobicContact CD1-CZ 3.76Å; L836-F862 HydrophobicContact CG-CZ 4.5Å; L836-I898 HydrophobicContact CD1-CG2 4.46Å; L836-I898 HydrophobicContact CD2-CG1 4.13Å; L836-T901 HydrophobicContact CD1-CG2 3.98Å; L836-T901 HydrophobicContact CD2-CG2 4.2Å; L836-T901 HydrophobicContact CG-CG2 4.22Å; L836-V941 HydrophobicContact CB-CG1 4.45Å; L836-V941 HydrophobicContact CD2-CG1 3.92Å; L836-V941 HydrophobicContact CG-CG1 4.04Å |
| 837 | S | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.6 | -46.6 | 175.1 | -53.9 | 0 | 0 | 0 | 0 | 110.9 | L833 S834 L839 V840 I841 V941 F943 | L833-S837 WeakPolarHBondContact O-CB 3.42Å; L833-S837 PolarHBondContact O-N 2.93Å; L833-S837 PolarHBondContact O-OG 3.26Å; S834-S837 PolarHBondContact O-N 3.32Å; S837-L839 VanDerWaalsContact C-N 3.34Å; S837-L839 PolarHBondContact O-N 2.9Å; S837-V840 PolarHBondContact O-N 2.88Å; S837-I841 WeakPolarHBondContact O-CG1 3.49Å; S837-I841 PolarHBondContact O-N 3.02Å; S837-V941 WeakPolarHBondContact CB-O 3.46Å; S837-V941 PolarHBondContact OG-O 3.26Å; S837-V941 VanDerWaalsContact OG-O 3.1Å; S837-F943 PolarHBondContact OG-N 3.48Å; S837-F943 PolarHBondContact OG-O 2.97Å |
| 838 | S | 95.4 | Very high | 94.1 | Very high | 18 Ų | 18 | 30.7 Ų | 30.7 | 13% | 0.126 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.1 | -44.3 | 173.7 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | S834 V840 I841 D842 E949 | S834-S838 WeakPolarHBondContact O-CB 3.36Å; S834-S838 PolarHBondContact O-N 2.92Å; S834-S838 PolarHBondContact O-OG 3.33Å; S838-V840 PolarHBondContact O-N 2.97Å; S838-I841 PolarHBondContact O-N 2.74Å; S838-D842 WeakPolarHBondContact O-CB 3.46Å; S838-D842 PolarHBondContact O-N 2.97Å; S838-E949 PolarHBondContact OG-OE1 2.89Å |
| 839 | L | 97.2 | Very high | 94.2 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 175.1 | 174.1 | 71.3 | 0 | 0 | 0 | 112 | R835 L836 S837 I841 D842 V843 A858 L859 F862 Y902 L905 | R835-L839 WeakPolarHBondContact O-CB 3.4Å; R835-L839 PolarHBondContact O-N 2.89Å; L836-L839 HydrophobicContact CD1-CD2 4.33Å; L836-L839 WeakPolarHBondContact O-CB 3.33Å; L836-L839 PolarHBondContact O-N 2.67Å; S837-L839 VanDerWaalsContact C-N 3.34Å; S837-L839 PolarHBondContact O-N 2.9Å; L839-I841 VanDerWaalsContact C-N 3.3Å; L839-I841 PolarHBondContact O-N 2.91Å; L839-D842 PolarHBondContact O-N 3.21Å; L839-V843 HydrophobicContact CD1-CG2 3.63Å; L839-V843 HydrophobicContact CG-CG2 4.19Å; L839-V843 WeakPolarHBondContact O-CB 3.38Å; L839-V843 VanDerWaalsContact O-CG2 3.25Å; L839-V843 WeakPolarHBondContact O-CG2 3.34Å; L839-V843 PolarHBondContact O-N 2.94Å; L839-A858 VanDerWaalsContact CD1-C 3.48Å; L839-A858 HydrophobicContact CD1-CB 3.89Å; L839-A858 WeakPolarHBondContact CD1-O 3.49Å; L839-L859 HydrophobicContact CD1-CD2 4.38Å; L839-F862 HydrophobicContact CB-CB 4.49Å; L839-F862 HydrophobicContact CB-CD2 4.25Å; L839-F862 HydrophobicContact CB-CG 4.34Å; L839-F862 HydrophobicContact CD1-CB 3.98Å; L839-F862 HydrophobicContact CD2-CB 3.93Å; L839-F862 HydrophobicContact CD2-CD1 3.57Å; L839-F862 HydrophobicContact CD2-CD2 4.28Å; L839-F862 HydrophobicContact CD2-CE1 4.12Å; L839-F862 HydrophobicContact CD2-CG 3.66Å; L839-F862 HydrophobicContact CG-CB 4.35Å; L839-F862 HydrophobicContact CG-CG 4.39Å; L839-Y902 HydrophobicContact CD2-CD2 3.87Å; L839-Y902 HydrophobicContact CD2-CE2 4.29Å; L839-L905 HydrophobicContact CD2-CD1 3.75Å; L839-L905 HydrophobicContact CG-CD1 3.81Å |
| 840 | V | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.5 | -44.6 | 179.4 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | L836 S837 S838 H844 T901 L905 P936 T937 P938 V941 | L836-V840 WeakPolarHBondContact O-CG2 3.38Å; L836-V840 PolarHBondContact O-N 3.17Å; S837-V840 PolarHBondContact O-N 2.88Å; S838-V840 PolarHBondContact O-N 2.97Å; V840-H844 WeakPolarHBondContact O-CB 3.35Å; V840-H844 PolarHBondContact O-N 3.05Å; V840-T901 HydrophobicContact CG2-CG2 3.88Å; V840-L905 HydrophobicContact CG2-CD1 3.89Å; V840-P936 HydrophobicContact CG1-CB 4.41Å; V840-P936 HydrophobicContact CG2-CB 4.24Å; V840-T937 VanDerWaalsContact CG1-C 3.47Å; V840-P938 HydrophobicContact CG1-CG 4.38Å; V840-V941 HydrophobicContact CG2-CB 4.34Å; V840-V941 HydrophobicContact CG2-CG2 4.38Å |
| 841 | I | 95.5 | Very high | 94.5 | Very high | 39 Ų | 39 | 30 Ų | 30 | 20% | 0.2 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63 | -54.4 | 176.7 | -66.3 | 164.7 | 0 | 0 | 0 | 110.5 | S837 S838 L839 V843 H844 E845 P938 L944 | S837-I841 WeakPolarHBondContact O-CG1 3.49Å; S837-I841 PolarHBondContact O-N 3.02Å; S838-I841 PolarHBondContact O-N 2.74Å; L839-I841 VanDerWaalsContact C-N 3.3Å; L839-I841 PolarHBondContact O-N 2.91Å; I841-V843 VanDerWaalsContact C-N 3.32Å; I841-V843 PolarHBondContact O-N 3.4Å; I841-H844 PolarHBondContact O-N 3.24Å; I841-H844 VanDerWaalsContact O-N 3.15Å; I841-E845 HydrophobicContact CG2-CG 4.25Å; I841-E845 WeakPolarHBondContact O-CB 3.42Å; I841-E845 WeakPolarHBondContact O-CG 3.48Å; I841-E845 PolarHBondContact O-N 3.24Å; I841-P938 HydrophobicContact CG1-CB 4.01Å; I841-P938 HydrophobicContact CG1-CG 4.07Å; I841-L944 HydrophobicContact CD1-CD1 3.78Å; I841-L944 HydrophobicContact CD1-CD2 4.24Å; I841-L944 HydrophobicContact CD1-CG 4.43Å |
| 842 | D | 95.8 | Very high | 94.5 | Very high | 69 Ų | 69 | 29.7 Ų | 29.7 | 37% | 0.369 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -56.5 | -45.6 | -176.7 | -70.5 | -20 | 0 | 0 | 0 | 111.4 | S838 L839 S846 A858 | S838-D842 WeakPolarHBondContact O-CB 3.46Å; S838-D842 PolarHBondContact O-N 2.97Å; L839-D842 PolarHBondContact O-N 3.21Å; D842-S846 WeakPolarHBondContact O-CB 3.16Å; D842-S846 PolarHBondContact O-N 3.43Å; D842-S846 PolarHBondContact O-OG 2.93Å; D842-A858 HydrophobicContact CB-CB 4.21Å |
| 843 | V | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.8 | -39.2 | -179.8 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | L839 I841 L847 A858 L859 L905 Y909 Y935 | L839-V843 HydrophobicContact CD1-CG2 3.63Å; L839-V843 HydrophobicContact CG-CG2 4.19Å; L839-V843 WeakPolarHBondContact O-CB 3.38Å; L839-V843 VanDerWaalsContact O-CG2 3.25Å; L839-V843 WeakPolarHBondContact O-CG2 3.34Å; L839-V843 PolarHBondContact O-N 2.94Å; I841-V843 VanDerWaalsContact C-N 3.32Å; I841-V843 PolarHBondContact O-N 3.4Å; V843-L847 WeakPolarHBondContact O-CB 3.41Å; V843-L847 PolarHBondContact O-N 3.45Å; V843-A858 HydrophobicContact CG2-CB 4.12Å; V843-L859 HydrophobicContact CG2-CD2 4.21Å; V843-L859 HydrophobicContact CG2-CG 3.92Å; V843-L905 HydrophobicContact CB-CD2 4.37Å; V843-L905 HydrophobicContact CG1-CD2 4.12Å; V843-Y909 HydrophobicContact CG1-CE2 4.34Å; V843-Y935 WeakPolarHBondContact CG1-OH 3.42Å |
| 844 | H | 94 | Very high | 94.6 | Very high | 43 Ų | 43 | 33.2 Ų | 33.2 | 20% | 0.199 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.8 | -53.2 | 177.6 | -178.3 | 73.6 | 0 | 0 | 0 | 111.3 | V840 I841 S846 L847 E848 | V840-H844 WeakPolarHBondContact O-CB 3.35Å; V840-H844 PolarHBondContact O-N 3.05Å; I841-H844 PolarHBondContact O-N 3.24Å; I841-H844 VanDerWaalsContact O-N 3.15Å; H844-S846 PolarHBondContact O-N 3.36Å; H844-L847 PolarHBondContact O-N 3.49Å; H844-E848 IonicContact CE1-OE1 3.61Å; H844-E848 IonicContact NE2-OE1 3.33Å; H844-E848 PolarHBondContact O-N 3.47Å |
| 845 | E | 94.6 | Very high | 94.7 | Very high | 120 Ų | 120 | 33.2 Ų | 33.2 | 56% | 0.561 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -63 | -42.9 | 178.7 | -68.5 | -176.3 | 175.7 | 0 | 0 | 111.8 | I841 L847 E848 A849 | I841-E845 HydrophobicContact CG2-CG 4.25Å; I841-E845 WeakPolarHBondContact O-CB 3.42Å; I841-E845 WeakPolarHBondContact O-CG 3.48Å; I841-E845 PolarHBondContact O-N 3.24Å; E845-L847 VanDerWaalsContact C-N 3.31Å; E845-L847 PolarHBondContact O-N 3.29Å; E845-E848 PolarHBondContact O-N 2.98Å; E845-A849 VanDerWaalsContact O-CB 3.3Å; E845-A849 WeakPolarHBondContact O-CB 3.27Å; E845-A849 PolarHBondContact O-N 2.93Å |
| 846 | S | 95.1 | Very high | 94.7 | Very high | 15 Ų | 15 | 31 Ų | 31 | 11% | 0.105 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64 | -37.4 | 177.5 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | D842 H844 Y850 N851 L854 S855 | D842-S846 WeakPolarHBondContact O-CB 3.16Å; D842-S846 PolarHBondContact O-N 3.43Å; D842-S846 PolarHBondContact O-OG 2.93Å; H844-S846 PolarHBondContact O-N 3.36Å; S846-Y850 PolarHBondContact O-N 3.36Å; S846-Y850 VanDerWaalsContact O-N 3.16Å; S846-N851 WeakPolarHBondContact O-CA 3.26Å; S846-N851 PolarHBondContact O-N 3.48Å; S846-L854 WeakPolarHBondContact OG-CB 3.36Å; S846-S855 WeakPolarHBondContact CB-OG 3.33Å |
| 847 | L | 92.3 | Very high | 94.8 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 6% | 0.063 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.8 | -42.6 | 177.3 | -175.5 | 58.3 | 0 | 0 | 0 | 112.1 | V843 H844 E845 A849 Y850 F852 Y935 | V843-L847 WeakPolarHBondContact O-CB 3.41Å; V843-L847 PolarHBondContact O-N 3.45Å; H844-L847 PolarHBondContact O-N 3.49Å; E845-L847 VanDerWaalsContact C-N 3.31Å; E845-L847 PolarHBondContact O-N 3.29Å; L847-A849 PolarHBondContact O-N 2.98Å; L847-Y850 PolarHBondContact O-N 3.31Å; L847-F852 HydrophobicContact CD1-CD1 4.13Å; L847-F852 HydrophobicContact CD1-CE1 3.78Å; L847-Y935 HydrophobicContact CD2-CE2 4.44Å |
| 848 | E | 90 | Very high | 94.9 | Very high | 138 Ų | 138 | 37 Ų | 37 | 65% | 0.645 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -59.9 | -36.9 | 173.4 | -75.2 | -157.6 | 149.7 | 0 | 0 | 112 | H844 E845 Y850 | H844-E848 IonicContact CE1-OE1 3.61Å; H844-E848 IonicContact NE2-OE1 3.33Å; H844-E848 PolarHBondContact O-N 3.47Å; E845-E848 PolarHBondContact O-N 2.98Å; E848-Y850 VanDerWaalsContact C-N 3.29Å; E848-Y850 PolarHBondContact O-N 3.05Å |
| 849 | A | 92 | Very high | 95 | Very high | 39 Ų | 39 | 36.2 Ų | 36.2 | 32% | 0.322 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -1.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K778 E845 L847 N851 | K778-A849 WeakPolarHBondContact CE-O 3.39Å; K778-A849 PolarHBondContact NZ-O 3.41Å; E845-A849 VanDerWaalsContact O-CB 3.3Å; E845-A849 WeakPolarHBondContact O-CB 3.27Å; E845-A849 PolarHBondContact O-N 2.93Å; L847-A849 PolarHBondContact O-N 2.98Å; A849-N851 VanDerWaalsContact C-N 3.27Å; A849-N851 PolarHBondContact O-N 3Å |
| 850 | Y | 93.6 | Very high | 94.9 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 4% | 0.043 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 33.7 | -171.9 | -50.7 | -62.3 | 0 | 0 | 0 | 114.4 | I234 L572 L696 F728 S846 L847 E848 F852 | I234-Y850 HydrophobicContact CD1-CD1 3.93Å; I234-Y850 HydrophobicContact CD1-CE1 3.81Å; I234-Y850 HydrophobicContact CG1-CD1 4.09Å; I234-Y850 HydrophobicContact CG1-CE1 3.98Å; I234-Y850 HydrophobicContact CG2-CE1 4.33Å; L572-Y850 HydrophobicContact CD1-CD2 3.54Å; L572-Y850 HydrophobicContact CD1-CE2 3.81Å; L696-Y850 HydrophobicContact CD2-CE1 4.03Å; F728-Y850 HydrophobicContact CD2-CD2 4.21Å; F728-Y850 HydrophobicContact CD2-CG 4.26Å; F728-Y850 HydrophobicContact CE2-CG 4.45Å; S846-Y850 PolarHBondContact O-N 3.36Å; S846-Y850 VanDerWaalsContact O-N 3.16Å; L847-Y850 PolarHBondContact O-N 3.31Å; E848-Y850 VanDerWaalsContact C-N 3.29Å; E848-Y850 PolarHBondContact O-N 3.05Å; Y850-F852 HydrophobicContact CD1-CE2 4.44Å; Y850-F852 AromaticContact CD1-CZ 3.96Å; Y850-F852 HydrophobicContact CD1-CZ 3.96Å; Y850-F852 WeakPolarHBondContact O-CD2 3.36Å; Y850-F852 PolarHBondContact O-N 3.3Å |
| 851 | N | 94.2 | Very high | 94.9 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 20% | 0.203 | 20% | 0.204 | C | C | . | . | trans | -96.7 | 59.3 | 174.7 | -66.7 | -27.2 | 0 | 0 | 0 | 111.1 | K778 S846 A849 H853 L854 S855 | K778-N851 PolarHBondContact NZ-OD1 3.2Å; S846-N851 WeakPolarHBondContact O-CA 3.26Å; S846-N851 PolarHBondContact O-N 3.48Å; A849-N851 VanDerWaalsContact C-N 3.27Å; A849-N851 PolarHBondContact O-N 3Å; N851-H853 PolarHBondContact O-N 3.15Å; N851-H853 VanDerWaalsContact O-N 3.08Å; N851-L854 HydrophobicContact CB-CB 4.35Å; N851-L854 HydrophobicContact CB-CD1 3.88Å; N851-L854 HydrophobicContact CB-CG 4.14Å; N851-L854 WeakPolarHBondContact O-CB 3.43Å; N851-L854 PolarHBondContact O-N 2.86Å; N851-S855 PolarHBondContact O-N 2.86Å | ||
| 852 | F | 94.7 | Very high | 95 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -53.7 | -35.2 | -173.4 | -53.7 | -85.8 | 0 | 0 | 0 | 114.6 | I230 C233 I234 F728 L773 P777 L847 Y850 L854 S855 V856 Y909 | I230-F852 HydrophobicContact CG1-CE2 4.45Å; I230-F852 HydrophobicContact CG2-CE2 3.83Å; I230-F852 HydrophobicContact CG2-CZ 3.83Å; C233-F852 HydrophobicContact CB-CD1 4.11Å; C233-F852 HydrophobicContact CB-CE1 3.86Å; I234-F852 HydrophobicContact CD1-CZ 3.91Å; I234-F852 HydrophobicContact CG1-CE1 3.98Å; I234-F852 HydrophobicContact CG1-CZ 3.7Å; F728-F852 HydrophobicContact CE1-CE2 4.27Å; F728-F852 HydrophobicContact CZ-CE2 4.16Å; L773-F852 HydrophobicContact CB-CB 4.27Å; L773-F852 HydrophobicContact CD2-CB 3.94Å; L773-F852 HydrophobicContact CD2-CD1 4.46Å; L773-F852 HydrophobicContact CD2-CG 4.09Å; L773-F852 CarbonylContact O-C 3.59Å; P777-F852 HydrophobicContact CG-CD2 3.68Å; P777-F852 HydrophobicContact CG-CE2 4.35Å; L847-F852 HydrophobicContact CD1-CD1 4.13Å; L847-F852 HydrophobicContact CD1-CE1 3.78Å; Y850-F852 HydrophobicContact CD1-CE2 4.44Å; Y850-F852 AromaticContact CD1-CZ 3.96Å; Y850-F852 HydrophobicContact CD1-CZ 3.96Å; Y850-F852 WeakPolarHBondContact O-CD2 3.36Å; Y850-F852 PolarHBondContact O-N 3.3Å; F852-L854 VanDerWaalsContact C-N 3.32Å; F852-L854 PolarHBondContact O-N 3.13Å; F852-S855 WeakPolarHBondContact O-CB 3.48Å; F852-S855 PolarHBondContact O-N 2.96Å; F852-V856 WeakPolarHBondContact O-CB 3.27Å; F852-V856 WeakPolarHBondContact O-CG2 3.47Å; F852-V856 PolarHBondContact O-N 3.4Å; F852-Y909 HydrophobicContact CD1-CE1 4.26Å |
| 853 | H | 93.9 | Very high | 95 | Very high | 35 Ų | 35 | 34.3 Ų | 34.3 | 16% | 0.162 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.3 | -38.3 | 176.6 | 62.6 | -67.5 | 0 | 0 | 0 | 113.4 | L773 R774 N776 N851 E857 | L773-H853 WeakPolarHBondContact O-CA 3.49Å; L773-H853 WeakPolarHBondContact O-CB 3.4Å; L773-H853 PolarHBondContact O-N 3.07Å; L773-H853 VanDerWaalsContact O-N 3.12Å; R774-H853 WeakPolarHBondContact O-CB 3.46Å; N776-H853 VanDerWaalsContact CG-CE1 3.41Å; N776-H853 PolarHBondContact OD1-CE1 3.37Å; N851-H853 PolarHBondContact O-N 3.15Å; N851-H853 VanDerWaalsContact O-N 3.08Å; H853-E857 WeakPolarHBondContact O-CB 3.36Å; H853-E857 PolarHBondContact O-N 2.91Å |
| 854 | L | 96 | Very high | 95 | Very high | 71 Ų | 71 | 37.4 Ų | 37.4 | 37% | 0.372 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -70.6 | -41.6 | 175.7 | -59 | -178.2 | 0 | 0 | 0 | 110.8 | S846 N851 F852 V856 E857 A858 | S846-L854 WeakPolarHBondContact OG-CB 3.36Å; N851-L854 HydrophobicContact CB-CB 4.35Å; N851-L854 HydrophobicContact CB-CD1 3.88Å; N851-L854 HydrophobicContact CB-CG 4.14Å; N851-L854 WeakPolarHBondContact O-CB 3.43Å; N851-L854 PolarHBondContact O-N 2.86Å; F852-L854 VanDerWaalsContact C-N 3.32Å; F852-L854 PolarHBondContact O-N 3.13Å; L854-V856 PolarHBondContact O-N 3.3Å; L854-E857 PolarHBondContact O-N 3.09Å; L854-A858 WeakPolarHBondContact O-CB 3.49Å; L854-A858 PolarHBondContact O-N 3.15Å |
| 855 | S | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.6 | -46.8 | 174.3 | -51.3 | 0 | 0 | 0 | 0 | 111.9 | S846 N851 F852 A858 L859 Y909 | S846-S855 WeakPolarHBondContact CB-OG 3.33Å; N851-S855 PolarHBondContact O-N 2.86Å; F852-S855 WeakPolarHBondContact O-CB 3.48Å; F852-S855 PolarHBondContact O-N 2.96Å; S855-A858 PolarHBondContact O-N 2.98Å; S855-L859 WeakPolarHBondContact O-CB 3.14Å; S855-L859 WeakPolarHBondContact O-CD1 3.49Å; S855-L859 VanDerWaalsContact O-CG 3.25Å; S855-L859 WeakPolarHBondContact O-CG 3.49Å; S855-L859 PolarHBondContact O-N 3.39Å; S855-Y909 WeakPolarHBondContact CB-OH 3.21Å; S855-Y909 PolarHBondContact OG-OH 2.87Å; S855-Y909 VanDerWaalsContact OG-OH 3.12Å |
| 856 | V | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 179.1 | 169 | 0 | 0 | 0 | 0 | 111.3 | I770 L773 R774 F852 L854 L859 V860 Y909 | I770-V856 HydrophobicContact CD1-CG1 4Å; I770-V856 HydrophobicContact CD1-CG2 3.82Å; I770-V856 HydrophobicContact CG2-CG1 3.78Å; L773-V856 HydrophobicContact CB-CG2 3.99Å; R774-V856 HydrophobicContact CG-CG1 3.61Å; F852-V856 WeakPolarHBondContact O-CB 3.27Å; F852-V856 WeakPolarHBondContact O-CG2 3.47Å; F852-V856 PolarHBondContact O-N 3.4Å; L854-V856 PolarHBondContact O-N 3.3Å; V856-L859 PolarHBondContact O-N 2.93Å; V856-V860 HydrophobicContact CG1-CG2 4.36Å; V856-V860 WeakPolarHBondContact O-CB 3.37Å; V856-V860 WeakPolarHBondContact O-CG2 3.43Å; V856-V860 PolarHBondContact O-N 3.27Å; V856-Y909 HydrophobicContact CG2-CD1 3.7Å; V856-Y909 HydrophobicContact CG2-CE1 4.1Å; V856-Y909 HydrophobicContact CG2-CG 4.46Å |
| 857 | E | 95.7 | Very high | 94.9 | Very high | 109 Ų | 109 | 32.7 Ų | 32.7 | 51% | 0.509 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.1 | -45.5 | 175.5 | -178.6 | 168.9 | -168 | 0 | 0 | 111.5 | H853 L854 V860 N861 | H853-E857 WeakPolarHBondContact O-CB 3.36Å; H853-E857 PolarHBondContact O-N 2.91Å; L854-E857 PolarHBondContact O-N 3.09Å; E857-V860 PolarHBondContact O-N 2.97Å; E857-N861 VanDerWaalsContact CG-ND2 3.34Å; E857-N861 WeakPolarHBondContact CG-ND2 3.48Å; E857-N861 VanDerWaalsContact O-CB 3.25Å; E857-N861 WeakPolarHBondContact O-CB 3.24Å; E857-N861 PolarHBondContact O-N 3.46Å; E857-N861 PolarHBondContact O-ND2 3.03Å |
| 858 | A | 97.2 | Very high | 95 | Very high | 18 Ų | 18 | 32.4 Ų | 32.4 | 15% | 0.149 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L839 D842 V843 L854 S855 V860 N861 F862 | L839-A858 VanDerWaalsContact CD1-C 3.48Å; L839-A858 HydrophobicContact CD1-CB 3.89Å; L839-A858 WeakPolarHBondContact CD1-O 3.49Å; D842-A858 HydrophobicContact CB-CB 4.21Å; V843-A858 HydrophobicContact CG2-CB 4.12Å; L854-A858 WeakPolarHBondContact O-CB 3.49Å; L854-A858 PolarHBondContact O-N 3.15Å; S855-A858 PolarHBondContact O-N 2.98Å; A858-V860 PolarHBondContact O-N 2.81Å; A858-N861 PolarHBondContact O-N 3.19Å; A858-F862 WeakPolarHBondContact O-CB 3.26Å; A858-F862 PolarHBondContact O-N 3.18Å |
| 859 | L | 97.7 | Very high | 95 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | 177.3 | -75.9 | 165.6 | 0 | 0 | 0 | 112.8 | L839 V843 S855 V856 W863 Y902 L905 L906 Y909 | L839-L859 HydrophobicContact CD1-CD2 4.38Å; V843-L859 HydrophobicContact CG2-CD2 4.21Å; V843-L859 HydrophobicContact CG2-CG 3.92Å; S855-L859 WeakPolarHBondContact O-CB 3.14Å; S855-L859 WeakPolarHBondContact O-CD1 3.49Å; S855-L859 VanDerWaalsContact O-CG 3.25Å; S855-L859 WeakPolarHBondContact O-CG 3.49Å; S855-L859 PolarHBondContact O-N 3.39Å; V856-L859 PolarHBondContact O-N 2.93Å; L859-W863 PolarHBondContact O-N 3.36Å; L859-Y902 HydrophobicContact CB-CE2 4.49Å; L859-Y902 HydrophobicContact CD2-CD2 4.35Å; L859-Y902 HydrophobicContact CD2-CE2 3.85Å; L859-Y902 WeakPolarHBondContact O-CE2 3.31Å; L859-Y902 PolarHBondContact O-OH 3.39Å; L859-L905 HydrophobicContact CD2-CB 3.86Å; L859-L906 HydrophobicContact CD1-CD1 4.21Å; L859-L906 HydrophobicContact CD2-CD1 4.47Å; L859-Y909 HydrophobicContact CD1-CD2 3.59Å; L859-Y909 HydrophobicContact CD1-CE2 3.73Å; L859-Y909 HydrophobicContact CD1-CG 4.17Å |
| 860 | V | 96.4 | Very high | 95 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 4% | 0.036 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.7 | -47.4 | 179.4 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | F795 V856 E857 A858 W864 | F795-V860 HydrophobicContact CD1-CG2 3.93Å; F795-V860 HydrophobicContact CD2-CG1 4.06Å; F795-V860 HydrophobicContact CD2-CG2 4.19Å; F795-V860 HydrophobicContact CE1-CG2 3.66Å; F795-V860 HydrophobicContact CE2-CB 4.12Å; F795-V860 HydrophobicContact CE2-CG1 4.07Å; F795-V860 HydrophobicContact CE2-CG2 3.93Å; F795-V860 HydrophobicContact CG-CG2 4.16Å; F795-V860 HydrophobicContact CZ-CB 4.17Å; F795-V860 HydrophobicContact CZ-CG2 3.62Å; V856-V860 HydrophobicContact CG1-CG2 4.36Å; V856-V860 WeakPolarHBondContact O-CB 3.37Å; V856-V860 WeakPolarHBondContact O-CG2 3.43Å; V856-V860 PolarHBondContact O-N 3.27Å; E857-V860 PolarHBondContact O-N 2.97Å; A858-V860 PolarHBondContact O-N 2.81Å; V860-W864 HydrophobicContact CG1-CE3 4.38Å; V860-W864 WeakPolarHBondContact O-CB 3.18Å; V860-W864 PolarHBondContact O-N 2.94Å |
| 861 | N | 95.2 | Very high | 95 | Very high | 64 Ų | 64 | 26.7 Ų | 26.7 | 34% | 0.342 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -63.2 | -44.6 | -177 | -75.4 | -20.8 | 0 | 0 | 0 | 111.4 | E857 A858 L865 D866 | E857-N861 VanDerWaalsContact CG-ND2 3.34Å; E857-N861 WeakPolarHBondContact CG-ND2 3.48Å; E857-N861 VanDerWaalsContact O-CB 3.25Å; E857-N861 WeakPolarHBondContact O-CB 3.24Å; E857-N861 PolarHBondContact O-N 3.46Å; E857-N861 PolarHBondContact O-ND2 3.03Å; A858-N861 PolarHBondContact O-N 3.19Å; N861-L865 HydrophobicContact CB-CD1 4.35Å; N861-L865 WeakPolarHBondContact O-CA 3.48Å; N861-L865 VanDerWaalsContact O-CB 3.23Å; N861-L865 WeakPolarHBondContact O-CB 3.46Å; N861-L865 PolarHBondContact O-N 2.61Å; N861-D866 PolarHBondContact O-N 3.18Å |
| 862 | F | 97.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -60.8 | -54.8 | 177.3 | 175.6 | -94.2 | 0 | 0 | 0 | 111.6 | I832 R835 L836 L839 A858 W864 D866 F867 I898 Y902 | I832-F862 HydrophobicContact CD1-CE2 3.85Å; I832-F862 HydrophobicContact CD1-CZ 4.03Å; I832-F862 HydrophobicContact CG1-CZ 4.41Å; R835-F862 HydrophobicContact CB-CD2 4.01Å; R835-F862 HydrophobicContact CB-CE2 3.77Å; L836-F862 HydrophobicContact CB-CE2 4.14Å; L836-F862 HydrophobicContact CB-CZ 4.02Å; L836-F862 HydrophobicContact CD1-CE1 4.04Å; L836-F862 HydrophobicContact CD1-CE2 4.45Å; L836-F862 HydrophobicContact CD1-CZ 3.76Å; L836-F862 HydrophobicContact CG-CZ 4.5Å; L839-F862 HydrophobicContact CB-CB 4.49Å; L839-F862 HydrophobicContact CB-CD2 4.25Å; L839-F862 HydrophobicContact CB-CG 4.34Å; L839-F862 HydrophobicContact CD1-CB 3.98Å; L839-F862 HydrophobicContact CD2-CB 3.93Å; L839-F862 HydrophobicContact CD2-CD1 3.57Å; L839-F862 HydrophobicContact CD2-CD2 4.28Å; L839-F862 HydrophobicContact CD2-CE1 4.12Å; L839-F862 HydrophobicContact CD2-CG 3.66Å; L839-F862 HydrophobicContact CG-CB 4.35Å; L839-F862 HydrophobicContact CG-CG 4.39Å; A858-F862 WeakPolarHBondContact O-CB 3.26Å; A858-F862 PolarHBondContact O-N 3.18Å; F862-W864 PolarHBondContact O-N 2.94Å; F862-D866 HydrophobicContact CD2-CB 4.23Å; F862-D866 CarbonylContact O-C 3.52Å; F862-D866 WeakPolarHBondContact O-CA 3.11Å; F862-D866 WeakPolarHBondContact O-CB 3.48Å; F862-D866 PolarHBondContact O-N 2.99Å; F862-D866 VanDerWaalsContact O-N 3.09Å; F862-F867 HydrophobicContact CE1-CB 4.38Å; F862-F867 PolarHBondContact O-N 3.4Å; F862-I898 HydrophobicContact CE1-CG2 4.05Å; F862-I898 HydrophobicContact CZ-CG2 4.03Å; F862-Y902 AromaticContact CD1-CD2 3.86Å; F862-Y902 HydrophobicContact CD1-CD2 3.86Å; F862-Y902 HydrophobicContact CD1-CE2 4.15Å; F862-Y902 HydrophobicContact CE1-CD2 4.21Å |
| 863 | W | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -68.9 | -39.4 | -173.7 | -165.6 | -95.6 | 0 | 0 | 0 | 112.6 | F795 L799 S802 F803 L806 L859 F867 C868 I898 A899 Y902 | F795-W863 HydrophobicContact CE2-CB 4.45Å; L799-W863 VanDerWaalsContact CD2-CD1 3.48Å; L799-W863 HydrophobicContact CD2-CD2 3.98Å; L799-W863 HydrophobicContact CD2-CG 3.86Å; L799-W863 HydrophobicContact CD2-CZ2 4.36Å; S802-W863 PolarHBondContact OG-NE1 2.97Å; F803-W863 HydrophobicContact CD2-CH2 4.43Å; F803-W863 AromaticContact CD2-CZ2 3.82Å; F803-W863 HydrophobicContact CD2-CZ2 3.82Å; F803-W863 AromaticContact CE2-CH2 3.54Å; F803-W863 HydrophobicContact CE2-CH2 3.54Å; F803-W863 AromaticContact CE2-CZ2 3.28Å; F803-W863 HydrophobicContact CE2-CZ2 3.28Å; F803-W863 AromaticContact CZ-CH2 3.92Å; F803-W863 HydrophobicContact CZ-CH2 3.92Å; F803-W863 HydrophobicContact CZ-CZ2 4.12Å; L806-W863 HydrophobicContact CD1-CH2 4.36Å; L806-W863 HydrophobicContact CD1-CZ2 4.39Å; L859-W863 PolarHBondContact O-N 3.36Å; W863-F867 AromaticContact CD2-CD1 3.9Å; W863-F867 HydrophobicContact CD2-CD1 3.9Å; W863-F867 HydrophobicContact CD2-CE1 4.47Å; W863-F867 HydrophobicContact CD2-CG 4.37Å; W863-F867 AromaticContact CE2-CD1 3.75Å; W863-F867 AromaticContact CE2-CE1 3.97Å; W863-F867 HydrophobicContact CE3-CB 4.4Å; W863-F867 HydrophobicContact CE3-CD1 4.01Å; W863-F867 HydrophobicContact CE3-CE1 4.47Å; W863-F867 HydrophobicContact CE3-CG 4.15Å; W863-F867 AromaticContact CH2-CD1 3.93Å; W863-F867 HydrophobicContact CH2-CD1 3.93Å; W863-F867 AromaticContact CH2-CE1 3.56Å; W863-F867 HydrophobicContact CH2-CE1 3.56Å; W863-F867 AromaticContact CH2-CZ 3.88Å; W863-F867 HydrophobicContact CH2-CZ 3.88Å; W863-F867 AromaticContact CZ2-CD1 3.78Å; W863-F867 HydrophobicContact CZ2-CD1 3.78Å; W863-F867 AromaticContact CZ2-CE1 3.5Å; W863-F867 HydrophobicContact CZ2-CE1 3.5Å; W863-F867 VanDerWaalsContact CZ2-CE1 3.5Å; W863-F867 HydrophobicContact CZ2-CZ 4.26Å; W863-F867 HydrophobicContact CZ3-CD1 4.04Å; W863-F867 HydrophobicContact CZ3-CD2 4.48Å; W863-F867 HydrophobicContact CZ3-CE1 4.06Å; W863-F867 HydrophobicContact CZ3-CE2 4.49Å; W863-F867 HydrophobicContact CZ3-CG 4.25Å; W863-F867 HydrophobicContact CZ3-CZ 4.28Å; W863-C868 VanDerWaalsContact O-CB 3.31Å; W863-C868 WeakPolarHBondContact O-CB 3.48Å; W863-C868 PolarHBondContact O-N 2.78Å; W863-C868 PolarHBondContact O-SG 3Å; W863-I898 HydrophobicContact CZ3-CG2 4.47Å; W863-A899 HydrophobicContact CH2-CB 4.19Å; W863-Y902 HydrophobicContact CB-CD2 4.49Å; W863-Y902 HydrophobicContact CB-CE1 4.16Å; W863-Y902 HydrophobicContact CB-CE2 3.71Å; W863-Y902 WeakPolarHBondContact CB-OH 3.47Å; W863-Y902 AromaticContact CD2-CD1 3.91Å; W863-Y902 HydrophobicContact CD2-CD1 3.91Å; W863-Y902 HydrophobicContact CD2-CD2 4.49Å; W863-Y902 AromaticContact CD2-CE1 3.78Å; W863-Y902 HydrophobicContact CD2-CE1 3.78Å; W863-Y902 HydrophobicContact CD2-CE2 4.38Å; W863-Y902 HydrophobicContact CD2-CG 4.26Å; W863-Y902 AromaticContact CE3-CD1 3.33Å; W863-Y902 HydrophobicContact CE3-CD1 3.33Å; W863-Y902 AromaticContact CE3-CD2 3.65Å; W863-Y902 HydrophobicContact CE3-CD2 3.65Å; W863-Y902 AromaticContact CE3-CE1 3.67Å; W863-Y902 HydrophobicContact CE3-CE1 3.67Å; W863-Y902 AromaticContact CE3-CE2 3.96Å; W863-Y902 HydrophobicContact CE3-CE2 3.96Å; W863-Y902 AromaticContact CE3-CG 3.31Å; W863-Y902 HydrophobicContact CE3-CG 3.31Å; W863-Y902 AromaticContact CE3-CZ 3.96Å; W863-Y902 HydrophobicContact CG-CE1 4.01Å; W863-Y902 HydrophobicContact CG-CE2 4.34Å; W863-Y902 AromaticContact CG-CZ 3.87Å; W863-Y902 HydrophobicContact CH2-CD1 4.34Å; W863-Y902 AromaticContact CZ3-CD1 3.58Å; W863-Y902 HydrophobicContact CZ3-CD1 3.58Å; W863-Y902 HydrophobicContact CZ3-CD2 4.3Å; W863-Y902 HydrophobicContact CZ3-CE1 4.32Å; W863-Y902 AromaticContact CZ3-CG 3.57Å; W863-Y902 HydrophobicContact CZ3-CG 3.57Å |
| 864 | W | 94.4 | Very high | 94.4 | Very high | 65 Ų | 65 | 28.2 Ų | 28.2 | 25% | 0.246 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -75.9 | -55.5 | -178.2 | -160.1 | -45.9 | 0 | 0 | 0 | 111.6 | R794 F795 K798 V860 F862 C868 D869 | R794-W864 HydrophobicContact CB-CH2 4.27Å; F795-W864 HydrophobicContact CB-CE3 4.44Å; F795-W864 HydrophobicContact CB-CZ3 4.04Å; F795-W864 AromaticContact CD2-CE3 3.78Å; F795-W864 HydrophobicContact CD2-CE3 3.78Å; F795-W864 HydrophobicContact CD2-CZ3 4.21Å; K798-W864 HydrophobicContact CG-CD2 4.21Å; K798-W864 HydrophobicContact CG-CE3 4.49Å; K798-W864 HydrophobicContact CG-CG 4.48Å; V860-W864 HydrophobicContact CG1-CE3 4.38Å; V860-W864 WeakPolarHBondContact O-CB 3.18Å; V860-W864 PolarHBondContact O-N 2.94Å; F862-W864 PolarHBondContact O-N 2.94Å; W864-C868 WeakPolarHBondContact O-CB 3.45Å; W864-D869 VanDerWaalsContact O-CG 3.25Å; W864-D869 PolarHBondContact O-N 3.46Å |
| 865 | L | 91.7 | Very high | 93.9 | Very high | 69 Ų | 69 | 24.9 Ų | 24.9 | 36% | 0.361 | 12% | 0.123 | S | C | . | . | I | π-helix | trans | -88.2 | -43.8 | -168 | -53.3 | 176.3 | 0 | 0 | 0 | 112.4 | N861 | N861-L865 HydrophobicContact CB-CD1 4.35Å; N861-L865 WeakPolarHBondContact O-CA 3.48Å; N861-L865 VanDerWaalsContact O-CB 3.23Å; N861-L865 WeakPolarHBondContact O-CB 3.46Å; N861-L865 PolarHBondContact O-N 2.61Å |
| 866 | D | 94.4 | Very high | 93.5 | Very high | 10 Ų | 10 | 27 Ų | 27 | 5% | 0.053 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -86.4 | -46.6 | -175.3 | -62.9 | -21 | 0 | 0 | 0 | 111.1 | W831 I832 R835 N861 F862 I870 Y871 | W831-D866 HydrophobicContact CH2-CB 3.96Å; W831-D866 HydrophobicContact CZ2-CB 4.15Å; I832-D866 HydrophobicContact CD1-CB 4.25Å; R835-D866 IonicContact CZ-OD2 3.8Å; R835-D866 IonicContact NE-OD2 2.79Å; R835-D866 PolarHBondContact NE-OD2 3.24Å; R835-D866 IonicContact NH2-OD2 4Å; R835-D866 PolarHBondContact NH2-OD2 2.87Å; N861-D866 PolarHBondContact O-N 3.18Å; F862-D866 HydrophobicContact CD2-CB 4.23Å; F862-D866 CarbonylContact O-C 3.52Å; F862-D866 WeakPolarHBondContact O-CA 3.11Å; F862-D866 WeakPolarHBondContact O-CB 3.48Å; F862-D866 PolarHBondContact O-N 2.99Å; F862-D866 VanDerWaalsContact O-N 3.09Å; D866-I870 WeakPolarHBondContact O-CB 3.21Å; D866-Y871 PolarHBondContact O-N 3.02Å |
| 867 | F | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -80.4 | -63.4 | -178.4 | -175.3 | -96.9 | 0 | 0 | 0 | 112.4 | L806 F862 W863 Y871 L872 L895 I898 | L806-F867 HydrophobicContact CD1-CE1 4.33Å; L806-F867 HydrophobicContact CD1-CZ 4.19Å; L806-F867 HydrophobicContact CD2-CZ 4.42Å; F862-F867 HydrophobicContact CE1-CB 4.38Å; F862-F867 PolarHBondContact O-N 3.4Å; W863-F867 AromaticContact CD2-CD1 3.9Å; W863-F867 HydrophobicContact CD2-CD1 3.9Å; W863-F867 HydrophobicContact CD2-CE1 4.47Å; W863-F867 HydrophobicContact CD2-CG 4.37Å; W863-F867 AromaticContact CE2-CD1 3.75Å; W863-F867 AromaticContact CE2-CE1 3.97Å; W863-F867 HydrophobicContact CE3-CB 4.4Å; W863-F867 HydrophobicContact CE3-CD1 4.01Å; W863-F867 HydrophobicContact CE3-CE1 4.47Å; W863-F867 HydrophobicContact CE3-CG 4.15Å; W863-F867 AromaticContact CH2-CD1 3.93Å; W863-F867 HydrophobicContact CH2-CD1 3.93Å; W863-F867 AromaticContact CH2-CE1 3.56Å; W863-F867 HydrophobicContact CH2-CE1 3.56Å; W863-F867 AromaticContact CH2-CZ 3.88Å; W863-F867 HydrophobicContact CH2-CZ 3.88Å; W863-F867 AromaticContact CZ2-CD1 3.78Å; W863-F867 HydrophobicContact CZ2-CD1 3.78Å; W863-F867 AromaticContact CZ2-CE1 3.5Å; W863-F867 HydrophobicContact CZ2-CE1 3.5Å; W863-F867 VanDerWaalsContact CZ2-CE1 3.5Å; W863-F867 HydrophobicContact CZ2-CZ 4.26Å; W863-F867 HydrophobicContact CZ3-CD1 4.04Å; W863-F867 HydrophobicContact CZ3-CD2 4.48Å; W863-F867 HydrophobicContact CZ3-CE1 4.06Å; W863-F867 HydrophobicContact CZ3-CE2 4.49Å; W863-F867 HydrophobicContact CZ3-CG 4.25Å; W863-F867 HydrophobicContact CZ3-CZ 4.28Å; F867-Y871 HydrophobicContact CD2-CD1 4.08Å; F867-Y871 HydrophobicContact CE2-CD1 4.01Å; F867-Y871 CarbonylContact O-C 3.55Å; F867-Y871 PolarHBondContact O-N 3.18Å; F867-L872 HydrophobicContact CE1-CB 4.5Å; F867-L872 HydrophobicContact CE1-CD1 4.25Å; F867-L872 HydrophobicContact CZ-CD1 4.36Å; F867-L872 WeakPolarHBondContact O-CB 3.37Å; F867-L872 PolarHBondContact O-N 3.43Å; F867-L895 HydrophobicContact CE2-CD2 3.77Å; F867-L895 HydrophobicContact CZ-CD2 3.69Å; F867-I898 HydrophobicContact CD2-CG2 3.74Å; F867-I898 HydrophobicContact CE2-CB 4.25Å; F867-I898 HydrophobicContact CE2-CD1 4.38Å; F867-I898 HydrophobicContact CE2-CG2 3.71Å |
| 868 | C | 94.8 | Very high | 92 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 3% | 0.034 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -69.5 | -45.9 | -172.1 | -72.5 | 0 | 0 | 0 | 0 | 113.5 | W863 W864 I870 | W863-C868 VanDerWaalsContact O-CB 3.31Å; W863-C868 WeakPolarHBondContact O-CB 3.48Å; W863-C868 PolarHBondContact O-N 2.78Å; W863-C868 PolarHBondContact O-SG 3Å; W864-C868 WeakPolarHBondContact O-CB 3.45Å; C868-I870 VanDerWaalsContact C-N 3.34Å |
| 869 | D | 89.8 | Confident | 91 | Very high | 54 Ų | 54 | 27.2 Ų | 27.2 | 29% | 0.289 | 13% | 0.129 | S | C | . | . | I | π-helix | trans | -80.9 | -15.1 | -171.7 | -72.4 | 2.1 | 0 | 0 | 0 | 113.2 | K798 W864 | K798-D869 IonicContact NZ-OD1 3.29Å; K798-D869 PolarHBondContact NZ-OD1 3.31Å; W864-D869 VanDerWaalsContact O-CG 3.25Å; W864-D869 PolarHBondContact O-N 3.46Å |
| 870 | I | 92.3 | Very high | 89.7 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 7% | 0.072 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -125.6 | -69 | -178.1 | -59 | 167.3 | 0 | 0 | 0 | 111.1 | W831 D866 C868 L872 E873 W874 M952 L997 L1001 | W831-I870 HydrophobicContact CH2-CB 4.1Å; W831-I870 HydrophobicContact CH2-CD1 3.85Å; W831-I870 HydrophobicContact CH2-CG2 3.85Å; W831-I870 HydrophobicContact CZ2-CD1 4.37Å; W831-I870 HydrophobicContact CZ3-CB 4.28Å; W831-I870 HydrophobicContact CZ3-CG2 3.67Å; D866-I870 WeakPolarHBondContact O-CB 3.21Å; C868-I870 VanDerWaalsContact C-N 3.34Å; I870-L872 PolarHBondContact O-N 3.19Å; I870-E873 PolarHBondContact O-N 2.68Å; I870-W874 PolarHBondContact O-N 3.41Å; I870-M952 HydrophobicContact CD1-CE 3.75Å; I870-M952 HydrophobicContact CG1-CE 4.38Å; I870-M952 HydrophobicContact CG2-CE 3.62Å; I870-L997 HydrophobicContact CG2-CD1 4.38Å; I870-L997 HydrophobicContact CG2-CD2 4.07Å; I870-L1001 HydrophobicContact CG2-CD1 4.36Å |
| 871 | Y | 93.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -66.5 | -41.1 | -168.2 | -166.9 | -110.6 | 0 | 0 | 0 | 113.3 | V828 D829 I832 D866 F867 E873 W874 S875 M894 L895 I898 | V828-Y871 HydrophobicContact CG1-CD2 3.96Å; V828-Y871 HydrophobicContact CG1-CE2 4.17Å; D829-Y871 VanDerWaalsContact OD1-CE2 3.22Å; D829-Y871 WeakPolarHBondContact OD1-CE2 3.36Å; D829-Y871 PolarHBondContact OD1-OH 2.78Å; I832-Y871 HydrophobicContact CB-CD2 3.73Å; I832-Y871 HydrophobicContact CB-CE2 4.04Å; I832-Y871 HydrophobicContact CB-CG 4.03Å; I832-Y871 HydrophobicContact CD1-CG 4.34Å; I832-Y871 HydrophobicContact CG1-CD1 4.1Å; I832-Y871 HydrophobicContact CG1-CD2 4.07Å; I832-Y871 HydrophobicContact CG1-CG 3.81Å; I832-Y871 HydrophobicContact CG2-CD1 4.24Å; I832-Y871 HydrophobicContact CG2-CD2 3.59Å; I832-Y871 HydrophobicContact CG2-CE1 4.01Å; I832-Y871 HydrophobicContact CG2-CE2 3.36Å; I832-Y871 HydrophobicContact CG2-CG 4.05Å; D866-Y871 PolarHBondContact O-N 3.02Å; F867-Y871 HydrophobicContact CD2-CD1 4.08Å; F867-Y871 HydrophobicContact CE2-CD1 4.01Å; F867-Y871 CarbonylContact O-C 3.55Å; F867-Y871 PolarHBondContact O-N 3.18Å; Y871-E873 VanDerWaalsContact C-N 3.33Å; Y871-E873 PolarHBondContact O-N 3.06Å; Y871-W874 WeakPolarHBondContact O-CB 3.25Å; Y871-W874 PolarHBondContact O-N 3.44Å; Y871-S875 PolarHBondContact O-N 2.92Å; Y871-M894 WeakPolarHBondContact OH-CE 3.39Å; Y871-L895 HydrophobicContact CD1-CD2 4.07Å; Y871-L895 HydrophobicContact CE1-CD2 3.94Å; Y871-I898 HydrophobicContact CD1-CD1 4.04Å; Y871-I898 HydrophobicContact CE1-CD1 3.62Å |
| 872 | L | 92.8 | Very high | 85.8 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.9 | -33.7 | 177.3 | -167.5 | 66.4 | 0 | 0 | 0 | 112.1 | Y805 L806 F867 I870 S875 K876 L895 | Y805-L872 HydrophobicContact CD1-CD1 3.8Å; Y805-L872 HydrophobicContact CD1-CD2 4.14Å; Y805-L872 HydrophobicContact CD1-CG 4.14Å; Y805-L872 HydrophobicContact CE1-CD1 3.76Å; Y805-L872 HydrophobicContact CE1-CG 4.14Å; L806-L872 HydrophobicContact CD2-CD1 3.71Å; F867-L872 HydrophobicContact CE1-CB 4.5Å; F867-L872 HydrophobicContact CE1-CD1 4.25Å; F867-L872 HydrophobicContact CZ-CD1 4.36Å; F867-L872 WeakPolarHBondContact O-CB 3.37Å; F867-L872 PolarHBondContact O-N 3.43Å; I870-L872 PolarHBondContact O-N 3.19Å; L872-S875 PolarHBondContact O-OG 2.97Å; L872-S875 VanDerWaalsContact O-OG 3.07Å; L872-K876 WeakPolarHBondContact O-CG 3.17Å; L872-K876 PolarHBondContact O-N 2.66Å; L872-L895 HydrophobicContact CD1-CD2 4.23Å |
| 873 | E | 89.4 | Confident | 83.8 | Confident | 73 Ų | 73 | 47.6 Ų | 47.6 | 34% | 0.341 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72 | -32.6 | 174.1 | -66.8 | -56.7 | 146.8 | 0 | 0 | 112.1 | I870 Y871 K876 L1001 | I870-E873 PolarHBondContact O-N 2.68Å; Y871-E873 VanDerWaalsContact C-N 3.33Å; Y871-E873 PolarHBondContact O-N 3.06Å; E873-K876 IonicContact OE1-NZ 3.33Å; E873-K876 PolarHBondContact OE1-NZ 3.45Å; E873-K876 WeakPolarHBondContact OE2-CD 3.46Å; E873-K876 WeakPolarHBondContact OE2-CE 3.08Å; E873-K876 IonicContact OE2-NZ 3.88Å; E873-K876 PolarHBondContact OE2-NZ 3.06Å; E873-L1001 HydrophobicContact CB-CD2 3.71Å; E873-L1001 HydrophobicContact CG-CD2 4.49Å |
| 874 | W | 87.9 | Confident | 82.2 | Confident | 22 Ų | 22 | 51 Ų | 51 | 8% | 0.083 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.4 | -49.7 | 171.9 | 172.6 | -111.9 | 0 | 0 | 0 | 111.8 | V828 I870 Y871 K876 H877 F878 R996 L997 | V828-W874 HydrophobicContact CG1-CB 4.47Å; V828-W874 HydrophobicContact CG1-CD2 4.35Å; V828-W874 HydrophobicContact CG1-CG 3.89Å; V828-W874 HydrophobicContact CG2-CD2 4.38Å; V828-W874 HydrophobicContact CG2-CZ2 4.24Å; I870-W874 PolarHBondContact O-N 3.41Å; Y871-W874 WeakPolarHBondContact O-CB 3.25Å; Y871-W874 PolarHBondContact O-N 3.44Å; W874-K876 PolarHBondContact O-N 3.33Å; W874-H877 WeakPolarHBondContact O-CB 3.45Å; W874-H877 PolarHBondContact O-N 3.4Å; W874-H877 VanDerWaalsContact O-N 3.1Å; W874-F878 HydrophobicContact CD2-CE2 4.37Å; W874-F878 AromaticContact CE2-CE2 3.75Å; W874-F878 AromaticContact CE2-CZ 3.93Å; W874-F878 HydrophobicContact CH2-CZ 4.49Å; W874-F878 HydrophobicContact CZ2-CE2 4.04Å; W874-F878 AromaticContact CZ2-CZ 3.74Å; W874-F878 HydrophobicContact CZ2-CZ 3.74Å; W874-F878 AromaticContact NE1-CE2 3.62Å; W874-R996 HydrophobicContact CH2-CB 4.13Å; W874-R996 HydrophobicContact CZ3-CB 4.24Å; W874-L997 HydrophobicContact CB-CD1 3.8Å; W874-L997 HydrophobicContact CD2-CD1 4.01Å; W874-L997 HydrophobicContact CE3-CB 4.34Å; W874-L997 HydrophobicContact CE3-CD1 3.68Å; W874-L997 HydrophobicContact CG-CD1 4.09Å; W874-L997 HydrophobicContact CZ3-CB 4.44Å |
| 875 | S | 86.6 | Confident | 81 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -31.3 | -175.3 | 73.1 | 0 | 0 | 0 | 0 | 113.1 | Y871 L872 H877 F878 F879 | Y871-S875 PolarHBondContact O-N 2.92Å; L872-S875 PolarHBondContact O-OG 2.97Å; L872-S875 VanDerWaalsContact O-OG 3.07Å; S875-H877 PolarHBondContact O-N 3.39Å; S875-F878 PolarHBondContact O-N 3.15Å; S875-F878 VanDerWaalsContact O-N 3.13Å; S875-F879 WeakPolarHBondContact O-CD2 3.27Å; S875-F879 WeakPolarHBondContact O-CE2 3.41Å |
| 876 | K | 86.6 | Confident | 80.1 | Confident | 45 Ų | 45 | 54.9 Ų | 54.9 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -47.1 | -35.8 | 173.5 | -80.5 | 170.3 | -164.1 | -178 | 0 | 113.1 | Y805 L872 E873 W874 F878 F879 Y880 | Y805-K876 HydrophobicContact CE1-CG 4.37Å; Y805-K876 WeakPolarHBondContact OH-CG 3.29Å; L872-K876 WeakPolarHBondContact O-CG 3.17Å; L872-K876 PolarHBondContact O-N 2.66Å; E873-K876 IonicContact OE1-NZ 3.33Å; E873-K876 PolarHBondContact OE1-NZ 3.45Å; E873-K876 WeakPolarHBondContact OE2-CD 3.46Å; E873-K876 WeakPolarHBondContact OE2-CE 3.08Å; E873-K876 IonicContact OE2-NZ 3.88Å; E873-K876 PolarHBondContact OE2-NZ 3.06Å; W874-K876 PolarHBondContact O-N 3.33Å; K876-F878 VanDerWaalsContact C-N 3.28Å; K876-F878 PolarHBondContact O-N 2.98Å; K876-F879 PolarHBondContact O-N 3.38Å; K876-Y880 HydrophobicContact CB-CE2 4.26Å; K876-Y880 WeakPolarHBondContact O-CD2 3.48Å; K876-Y880 WeakPolarHBondContact O-CE2 3.27Å |
| 877 | H | 79.5 | Confident | 79.4 | Confident | 72 Ų | 72 | 54.7 Ų | 54.7 | 33% | 0.333 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -59.8 | -36.5 | -176 | -179.6 | 47.6 | 0 | 0 | 0 | 113.5 | W874 S875 F879 P881 | W874-H877 WeakPolarHBondContact O-CB 3.45Å; W874-H877 PolarHBondContact O-N 3.4Å; W874-H877 VanDerWaalsContact O-N 3.1Å; S875-H877 PolarHBondContact O-N 3.39Å; H877-F879 VanDerWaalsContact C-N 3.26Å; H877-F879 PolarHBondContact O-N 3.32Å; H877-P881 WeakPolarHBondContact O-CD 3.12Å |
| 878 | F | 80 | Confident | 78.7 | Confident | 19 Ų | 19 | 55 Ų | 55 | 8% | 0.083 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -77.5 | -12.4 | -174.5 | -57.5 | -80.5 | 0 | 0 | 0 | 113.1 | W874 S875 K876 A887 M891 | W874-F878 HydrophobicContact CD2-CE2 4.37Å; W874-F878 AromaticContact CE2-CE2 3.75Å; W874-F878 AromaticContact CE2-CZ 3.93Å; W874-F878 HydrophobicContact CH2-CZ 4.49Å; W874-F878 HydrophobicContact CZ2-CE2 4.04Å; W874-F878 AromaticContact CZ2-CZ 3.74Å; W874-F878 HydrophobicContact CZ2-CZ 3.74Å; W874-F878 AromaticContact NE1-CE2 3.62Å; S875-F878 PolarHBondContact O-N 3.15Å; S875-F878 VanDerWaalsContact O-N 3.13Å; K876-F878 VanDerWaalsContact C-N 3.28Å; K876-F878 PolarHBondContact O-N 2.98Å; F878-A887 HydrophobicContact CD1-CB 3.59Å; F878-A887 HydrophobicContact CE1-CB 4.15Å; F878-A887 HydrophobicContact CG-CB 4.35Å; F878-M891 HydrophobicContact CB-CG 4.12Å; F878-M891 HydrophobicContact CD2-CE 3.82Å; F878-M891 HydrophobicContact CD2-CG 3.66Å; F878-M891 HydrophobicContact CD2-SD 3.82Å; F878-M891 HydrophobicContact CE2-CE 3.48Å; F878-M891 VanDerWaalsContact CE2-CE 3.48Å; F878-M891 HydrophobicContact CE2-CG 4.31Å; F878-M891 HydrophobicContact CE2-SD 4.01Å; F878-M891 HydrophobicContact CG-CG 3.96Å; F878-M891 HydrophobicContact CZ-CE 3.98Å |
| 879 | F | 76.6 | Confident | 78 | Confident | 40 Ų | 40 | 59.5 Ų | 59.5 | 18% | 0.175 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -100.6 | -5.9 | -174.8 | -63 | -67.7 | 0 | 0 | 0 | 115.5 | L809 S875 K876 H877 A888 M891 R892 L895 | L809-F879 HydrophobicContact CD1-CD2 4.11Å; L809-F879 HydrophobicContact CD1-CE2 3.75Å; L809-F879 HydrophobicContact CD1-CZ 4.17Å; L809-F879 HydrophobicContact CD2-CB 4.29Å; L809-F879 HydrophobicContact CD2-CD1 4.13Å; L809-F879 HydrophobicContact CD2-CD2 3.86Å; L809-F879 HydrophobicContact CD2-CE1 4.44Å; L809-F879 HydrophobicContact CD2-CE2 4.19Å; L809-F879 HydrophobicContact CD2-CG 3.82Å; L809-F879 HydrophobicContact CD2-CZ 4.47Å; S875-F879 WeakPolarHBondContact O-CD2 3.27Å; S875-F879 WeakPolarHBondContact O-CE2 3.41Å; K876-F879 PolarHBondContact O-N 3.38Å; H877-F879 VanDerWaalsContact C-N 3.26Å; H877-F879 PolarHBondContact O-N 3.32Å; F879-A888 HydrophobicContact CD1-CB 3.87Å; F879-A888 HydrophobicContact CE1-CB 3.85Å; F879-A888 VanDerWaalsContact CE1-O 3.29Å; F879-A888 WeakPolarHBondContact CE1-O 3.35Å; F879-M891 HydrophobicContact CE2-CB 4.03Å; F879-M891 HydrophobicContact CZ-CB 3.67Å; F879-R892 HydrophobicContact CE1-CG 3.78Å; F879-R892 HydrophobicContact CZ-CG 3.95Å; F879-L895 HydrophobicContact CE2-CD1 4.27Å; F879-L895 HydrophobicContact CZ-CD1 4.42Å |
| 880 | Y | 69.9 | Low | 77.7 | Confident | 172 Ų | 172 | 57.9 Ų | 57.9 | 68% | 0.675 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -98.5 | -39.5 | -179.3 | -70.3 | -81.6 | 0 | 0 | 0 | 114.8 | K876 | K876-Y880 HydrophobicContact CB-CE2 4.26Å; K876-Y880 WeakPolarHBondContact O-CD2 3.48Å; K876-Y880 WeakPolarHBondContact O-CE2 3.27Å |
| 881 | P | 58.5 | Low | 77.4 | Confident | 52 Ų | 52 | 57.2 Ų | 57.2 | 34% | 0.338 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -86.6 | 142.4 | 175.5 | -8 | 26.8 | 0 | 0 | 0 | 112.3 | H877 D883 | H877-P881 WeakPolarHBondContact O-CD 3.12Å; P881-D883 VanDerWaalsContact C-N 3.25Å; P881-D883 PolarHBondContact O-N 3.04Å |
| 882 | K | 52.1 | Low | 77 | Confident | 128 Ų | 128 | 58.7 Ų | 58.7 | 56% | 0.557 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -67.1 | -20.8 | 177.7 | -72.8 | -170.4 | 177.2 | -173 | 0 | 113.8 | H884 | K882-H884 VanDerWaalsContact C-N 3.25Å; K882-H884 PolarHBondContact O-N 3.33Å |
| 883 | D | 55.2 | Low | 76.7 | Confident | 148 Ų | 148 | 58.6 Ų | 58.6 | 79% | 0.791 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -79.5 | 4 | -170.9 | -59.4 | -24 | 0 | 0 | 0 | 115.1 | P881 | P881-D883 VanDerWaalsContact C-N 3.25Å; P881-D883 PolarHBondContact O-N 3.04Å |
| 884 | H | 64.7 | Low | 76.6 | Confident | 73 Ų | 73 | 55.2 Ų | 55.2 | 34% | 0.338 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -122.7 | 31.2 | -173.3 | -64.3 | -41.5 | 0 | 0 | 0 | 113.9 | K882 A886 A887 A888 | K882-H884 VanDerWaalsContact C-N 3.25Å; K882-H884 PolarHBondContact O-N 3.33Å; H884-A886 PolarHBondContact O-N 3.37Å; H884-A887 HydrophobicContact CB-CB 4.26Å; H884-A887 PolarHBondContact O-N 2.84Å; H884-A887 VanDerWaalsContact O-N 3.07Å; H884-A888 WeakPolarHBondContact O-CB 3.35Å; H884-A888 PolarHBondContact O-N 3.12Å |
| 885 | L | 68.9 | Low | 76.8 | Confident | 139 Ų | 139 | 54.2 Ų | 54.2 | 73% | 0.728 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -47.8 | -52.9 | -178.2 | -98.3 | 139.3 | 0 | 0 | 0 | 113.6 | A887 A888 E889 | L885-A887 PolarHBondContact O-N 2.81Å; L885-A888 WeakPolarHBondContact O-CB 3.49Å; L885-A888 PolarHBondContact O-N 3.24Å; L885-E889 PolarHBondContact O-N 3.25Å |
| 886 | A | 73 | Confident | 77 | Confident | 76 Ų | 76 | 54.3 Ų | 54.3 | 63% | 0.628 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.2 | -40.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | H884 E889 H890 | H884-A886 PolarHBondContact O-N 3.37Å; A886-E889 PolarHBondContact O-N 2.85Å; A886-H890 WeakPolarHBondContact O-CB 3.38Å; A886-H890 PolarHBondContact O-N 2.86Å |
| 887 | A | 79.1 | Confident | 77.1 | Confident | 5 Ų | 5 | 54 Ų | 54 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.1 | -33.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | F878 H884 L885 M891 | F878-A887 HydrophobicContact CD1-CB 3.59Å; F878-A887 HydrophobicContact CE1-CB 4.15Å; F878-A887 HydrophobicContact CG-CB 4.35Å; H884-A887 HydrophobicContact CB-CB 4.26Å; H884-A887 PolarHBondContact O-N 2.84Å; H884-A887 VanDerWaalsContact O-N 3.07Å; L885-A887 PolarHBondContact O-N 2.81Å; A887-M891 WeakPolarHBondContact O-CB 3.32Å; A887-M891 WeakPolarHBondContact O-CG 3.26Å; A887-M891 PolarHBondContact O-N 3.43Å |
| 888 | A | 81.2 | Confident | 77.7 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | F879 H884 L885 M891 R892 | F879-A888 HydrophobicContact CD1-CB 3.87Å; F879-A888 HydrophobicContact CE1-CB 3.85Å; F879-A888 VanDerWaalsContact CE1-O 3.29Å; F879-A888 WeakPolarHBondContact CE1-O 3.35Å; H884-A888 WeakPolarHBondContact O-CB 3.35Å; H884-A888 PolarHBondContact O-N 3.12Å; L885-A888 WeakPolarHBondContact O-CB 3.49Å; L885-A888 PolarHBondContact O-N 3.24Å; A888-M891 PolarHBondContact O-N 2.98Å; A888-R892 WeakPolarHBondContact O-CG 3.49Å; A888-R892 PolarHBondContact O-N 3.34Å; A888-R892 PolarHBondContact O-NH1 3.28Å |
| 889 | E | 79.7 | Confident | 78.4 | Confident | 100 Ų | 100 | 49.7 Ų | 49.7 | 47% | 0.467 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.5 | -48.6 | 175.1 | -168.7 | 163.4 | -160.7 | 0 | 0 | 111.7 | L885 A886 M891 R892 C893 | L885-E889 PolarHBondContact O-N 3.25Å; A886-E889 PolarHBondContact O-N 2.85Å; E889-M891 VanDerWaalsContact C-N 3.29Å; E889-M891 PolarHBondContact O-N 3.24Å; E889-R892 WeakPolarHBondContact O-CB 3.01Å; E889-R892 PolarHBondContact O-N 2.91Å; E889-C893 PolarHBondContact O-N 3.41Å; E889-C893 VanDerWaalsContact O-N 3.08Å |
| 890 | H | 83.7 | Confident | 79.2 | Confident | 19 Ų | 19 | 48.3 Ų | 48.3 | 9% | 0.088 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -52 | -46.9 | 170.7 | 173 | 68.2 | 0 | 0 | 0 | 112.4 | Y824 D829 A886 R892 C893 M894 | Y824-H890 WeakPolarHBondContact CB-CE1 3.19Å; Y824-H890 VanDerWaalsContact CB-NE2 3.26Å; Y824-H890 WeakPolarHBondContact CB-NE2 3.19Å; Y824-H890 AromaticContact CD1-CD2 3.88Å; Y824-H890 AromaticContact CD1-NE2 3.94Å; Y824-H890 AromaticContact CG-CD2 3.71Å; Y824-H890 AromaticContact CG-NE2 3.71Å; D829-H890 IonicContact OD2-CD2 3.59Å; D829-H890 IonicContact OD2-NE2 3.44Å; D829-H890 PolarHBondContact OD2-NE2 3.4Å; A886-H890 WeakPolarHBondContact O-CB 3.38Å; A886-H890 PolarHBondContact O-N 2.86Å; H890-R892 VanDerWaalsContact C-N 3.32Å; H890-R892 PolarHBondContact O-N 3.36Å; H890-C893 PolarHBondContact O-N 2.76Å; H890-M894 WeakPolarHBondContact O-CB 3.44Å; H890-M894 PolarHBondContact O-N 3.32Å |
| 891 | M | 86.5 | Confident | 80.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.7 | -36.2 | 177.4 | -73 | -77.3 | 152.1 | 0 | 0 | 112.4 | D829 F878 F879 A887 A888 E889 L895 | D829-M891 VanDerWaalsContact OD1-CE 3.31Å; D829-M891 WeakPolarHBondContact OD1-CE 3.27Å; D829-M891 WeakPolarHBondContact OD2-CE 2.83Å; F878-M891 HydrophobicContact CB-CG 4.12Å; F878-M891 HydrophobicContact CD2-CE 3.82Å; F878-M891 HydrophobicContact CD2-CG 3.66Å; F878-M891 HydrophobicContact CD2-SD 3.82Å; F878-M891 HydrophobicContact CE2-CE 3.48Å; F878-M891 VanDerWaalsContact CE2-CE 3.48Å; F878-M891 HydrophobicContact CE2-CG 4.31Å; F878-M891 HydrophobicContact CE2-SD 4.01Å; F878-M891 HydrophobicContact CG-CG 3.96Å; F878-M891 HydrophobicContact CZ-CE 3.98Å; F879-M891 HydrophobicContact CE2-CB 4.03Å; F879-M891 HydrophobicContact CZ-CB 3.67Å; A887-M891 WeakPolarHBondContact O-CB 3.32Å; A887-M891 WeakPolarHBondContact O-CG 3.26Å; A887-M891 PolarHBondContact O-N 3.43Å; A888-M891 PolarHBondContact O-N 2.98Å; E889-M891 VanDerWaalsContact C-N 3.29Å; E889-M891 PolarHBondContact O-N 3.24Å; M891-L895 WeakPolarHBondContact O-CB 3.46Å; M891-L895 WeakPolarHBondContact O-CD1 3.3Å; M891-L895 WeakPolarHBondContact O-CG 3.46Å; M891-L895 PolarHBondContact O-N 2.8Å |
| 892 | R | 86 | Confident | 82.2 | Confident | 32 Ų | 32 | 37.7 Ų | 37.7 | 12% | 0.121 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 175.1 | -73.5 | 179.3 | -171.9 | 100.1 | -10.2 | 111.5 | L809 W810 L817 F879 A888 E889 H890 L895 A896 | L809-R892 PolarHBondContact O-NE 2.83Å; W810-R892 PolarHBondContact NE1-O 3.3Å; L817-R892 HydrophobicContact CD1-CB 3.94Å; L817-R892 HydrophobicContact CD2-CB 4.09Å; F879-R892 HydrophobicContact CE1-CG 3.78Å; F879-R892 HydrophobicContact CZ-CG 3.95Å; A888-R892 WeakPolarHBondContact O-CG 3.49Å; A888-R892 PolarHBondContact O-N 3.34Å; A888-R892 PolarHBondContact O-NH1 3.28Å; E889-R892 WeakPolarHBondContact O-CB 3.01Å; E889-R892 PolarHBondContact O-N 2.91Å; H890-R892 VanDerWaalsContact C-N 3.32Å; H890-R892 PolarHBondContact O-N 3.36Å; R892-L895 PolarHBondContact O-N 3.26Å; R892-A896 WeakPolarHBondContact O-CB 3.35Å; R892-A896 PolarHBondContact O-N 3.27Å |
| 893 | C | 85 | Confident | 84.4 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.5 | -48.2 | 177.1 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | P821 E889 H890 L895 A896 M897 | P821-C893 HydrophobicContact CB-CB 4.09Å; E889-C893 PolarHBondContact O-N 3.41Å; E889-C893 VanDerWaalsContact O-N 3.08Å; H890-C893 PolarHBondContact O-N 2.76Å; C893-L895 PolarHBondContact O-N 3.48Å; C893-A896 PolarHBondContact O-N 3.11Å; C893-M897 WeakPolarHBondContact O-CB 3.3Å; C893-M897 PolarHBondContact O-N 3.45Å |
| 894 | M | 88.7 | Confident | 86.3 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.8 | -49.3 | 175.6 | -83.4 | -65.3 | -66.9 | 0 | 0 | 112.1 | P821 D829 I832 L833 Y871 H890 A896 M897 I898 | P821-M894 HydrophobicContact CB-CG 4.19Å; P821-M894 HydrophobicContact CB-SD 4.3Å; P821-M894 HydrophobicContact CG-CG 4.03Å; P821-M894 HydrophobicContact CG-SD 3.54Å; P821-M894 VanDerWaalsContact CG-SD 3.54Å; D829-M894 HydrophobicContact CB-CE 4.1Å; I832-M894 HydrophobicContact CG2-CE 3.92Å; L833-M894 HydrophobicContact CD1-CE 4.07Å; L833-M894 HydrophobicContact CD1-SD 4.29Å; L833-M894 HydrophobicContact CD2-CE 3.86Å; L833-M894 HydrophobicContact CD2-SD 4.29Å; L833-M894 HydrophobicContact CG-CE 3.78Å; L833-M894 HydrophobicContact CG-SD 4.49Å; Y871-M894 WeakPolarHBondContact OH-CE 3.39Å; H890-M894 WeakPolarHBondContact O-CB 3.44Å; H890-M894 PolarHBondContact O-N 3.32Å; M894-A896 PolarHBondContact O-N 2.96Å; M894-M897 PolarHBondContact O-N 2.91Å; M894-I898 HydrophobicContact CE-CD1 4.02Å; M894-I898 WeakPolarHBondContact O-CB 3.11Å; M894-I898 WeakPolarHBondContact O-CD1 3.43Å; M894-I898 VanDerWaalsContact O-CG1 3.24Å; M894-I898 WeakPolarHBondContact O-CG1 3.22Å; M894-I898 PolarHBondContact O-N 3.49Å |
| 895 | L | 91.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 179.9 | -68.7 | 168.9 | 0 | 0 | 0 | 112.1 | L806 L809 F867 Y871 L872 F879 M891 R892 C893 A899 | L806-L895 HydrophobicContact CD2-CB 4.06Å; L806-L895 HydrophobicContact CD2-CD1 3.9Å; L806-L895 HydrophobicContact CD2-CD2 4.03Å; L806-L895 HydrophobicContact CD2-CG 4.22Å; L809-L895 HydrophobicContact CD1-CD1 3.97Å; F867-L895 HydrophobicContact CE2-CD2 3.77Å; F867-L895 HydrophobicContact CZ-CD2 3.69Å; Y871-L895 HydrophobicContact CD1-CD2 4.07Å; Y871-L895 HydrophobicContact CE1-CD2 3.94Å; L872-L895 HydrophobicContact CD1-CD2 4.23Å; F879-L895 HydrophobicContact CE2-CD1 4.27Å; F879-L895 HydrophobicContact CZ-CD1 4.42Å; M891-L895 WeakPolarHBondContact O-CB 3.46Å; M891-L895 WeakPolarHBondContact O-CD1 3.3Å; M891-L895 WeakPolarHBondContact O-CG 3.46Å; M891-L895 PolarHBondContact O-N 2.8Å; R892-L895 PolarHBondContact O-N 3.26Å; C893-L895 PolarHBondContact O-N 3.48Å; L895-A899 WeakPolarHBondContact O-CB 3.44Å; L895-A899 PolarHBondContact O-N 2.98Å |
| 896 | A | 89.7 | Confident | 89.2 | Confident | 3 Ų | 3 | 15.1 Ų | 15.1 | 3% | 0.025 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.5 | -44.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | W810 L817 R892 C893 M894 A899 S900 P922 | W810-A896 HydrophobicContact CZ2-CB 4.14Å; L817-A896 HydrophobicContact CD1-CB 3.88Å; R892-A896 WeakPolarHBondContact O-CB 3.35Å; R892-A896 PolarHBondContact O-N 3.27Å; C893-A896 PolarHBondContact O-N 3.11Å; M894-A896 PolarHBondContact O-N 2.96Å; A896-A899 PolarHBondContact O-N 2.89Å; A896-S900 WeakPolarHBondContact O-CB 3.5Å; A896-S900 PolarHBondContact O-N 2.91Å; A896-P922 HydrophobicContact CB-CG 4.48Å |
| 897 | M | 89 | Confident | 90.3 | Very high | 39 Ų | 39 | 11.5 Ų | 11.5 | 19% | 0.192 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -62.5 | -50.3 | 177 | -174.3 | -140.1 | -62.7 | 0 | 0 | 111.5 | P821 L833 C893 M894 A899 S900 T901 | P821-M897 HydrophobicContact CG-CE 3.51Å; L833-M897 HydrophobicContact CD2-SD 4.23Å; C893-M897 WeakPolarHBondContact O-CB 3.3Å; C893-M897 PolarHBondContact O-N 3.45Å; M894-M897 PolarHBondContact O-N 2.91Å; M897-A899 VanDerWaalsContact C-N 3.31Å; M897-A899 PolarHBondContact O-N 2.98Å; M897-S900 WeakPolarHBondContact O-CB 3.32Å; M897-S900 PolarHBondContact O-N 3.41Å; M897-T901 PolarHBondContact O-N 2.99Å; M897-T901 PolarHBondContact O-OG1 3.18Å |
| 898 | I | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 179 | -65.9 | 163.6 | 0 | 0 | 0 | 110.1 | I832 L836 F862 W863 F867 Y871 M894 Y902 | I832-I898 HydrophobicContact CG1-CD1 4.04Å; I832-I898 HydrophobicContact CG2-CD1 3.92Å; L836-I898 HydrophobicContact CD1-CG2 4.46Å; L836-I898 HydrophobicContact CD2-CG1 4.13Å; F862-I898 HydrophobicContact CE1-CG2 4.05Å; F862-I898 HydrophobicContact CZ-CG2 4.03Å; W863-I898 HydrophobicContact CZ3-CG2 4.47Å; F867-I898 HydrophobicContact CD2-CG2 3.74Å; F867-I898 HydrophobicContact CE2-CB 4.25Å; F867-I898 HydrophobicContact CE2-CD1 4.38Å; F867-I898 HydrophobicContact CE2-CG2 3.71Å; Y871-I898 HydrophobicContact CD1-CD1 4.04Å; Y871-I898 HydrophobicContact CE1-CD1 3.62Å; M894-I898 HydrophobicContact CE-CD1 4.02Å; M894-I898 WeakPolarHBondContact O-CB 3.11Å; M894-I898 WeakPolarHBondContact O-CD1 3.43Å; M894-I898 VanDerWaalsContact O-CG1 3.24Å; M894-I898 WeakPolarHBondContact O-CG1 3.22Å; M894-I898 PolarHBondContact O-N 3.49Å; I898-Y902 WeakPolarHBondContact O-CB 3.39Å; I898-Y902 PolarHBondContact O-N 3.08Å |
| 899 | A | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.6 | -43 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F803 L806 W810 W863 L895 A896 M897 Y902 L903 L921 | F803-A899 HydrophobicContact CE1-CB 4.03Å; F803-A899 HydrophobicContact CZ-CB 3.79Å; L806-A899 HydrophobicContact CD1-CB 4.44Å; W810-A899 HydrophobicContact CH2-CB 4.02Å; W810-A899 HydrophobicContact CZ2-CB 4.32Å; W863-A899 HydrophobicContact CH2-CB 4.19Å; L895-A899 WeakPolarHBondContact O-CB 3.44Å; L895-A899 PolarHBondContact O-N 2.98Å; A896-A899 PolarHBondContact O-N 2.89Å; M897-A899 VanDerWaalsContact C-N 3.31Å; M897-A899 PolarHBondContact O-N 2.98Å; A899-Y902 PolarHBondContact O-N 3.49Å; A899-L903 WeakPolarHBondContact O-CB 3.38Å; A899-L903 WeakPolarHBondContact O-CG 3.13Å; A899-L903 PolarHBondContact O-N 3.11Å; A899-L921 HydrophobicContact CB-CD2 3.81Å |
| 900 | S | 93.2 | Very high | 92.7 | Very high | 10 Ų | 10 | 6.1 Ų | 6.1 | 7% | 0.07 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -59.6 | -54.1 | 176 | 172.8 | 0 | 0 | 0 | 0 | 112.3 | A896 M897 Y902 L903 R904 M923 | A896-S900 WeakPolarHBondContact O-CB 3.5Å; A896-S900 PolarHBondContact O-N 2.91Å; M897-S900 WeakPolarHBondContact O-CB 3.32Å; M897-S900 PolarHBondContact O-N 3.41Å; S900-Y902 VanDerWaalsContact C-N 3.3Å; S900-Y902 PolarHBondContact O-N 3Å; S900-L903 PolarHBondContact O-N 3.08Å; S900-R904 WeakPolarHBondContact O-CG 3.39Å; S900-R904 PolarHBondContact O-N 3.46Å; S900-R904 VanDerWaalsContact O-N 3.07Å; S900-R904 PolarHBondContact O-NE 3.29Å; S900-R904 PolarHBondContact OG-NE 3.46Å; S900-M923 VanDerWaalsContact CB-SD 3.59Å; S900-M923 WeakPolarHBondContact OG-CE 3.14Å |
| 901 | T | 94.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 5.2 Ų | 5.2 | 1% | 0.006 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -59.1 | -45 | 178.8 | -58 | 0 | 0 | 0 | 0 | 111 | L836 V840 M897 R904 L905 P936 V941 | L836-T901 HydrophobicContact CD1-CG2 3.98Å; L836-T901 HydrophobicContact CD2-CG2 4.2Å; L836-T901 HydrophobicContact CG-CG2 4.22Å; V840-T901 HydrophobicContact CG2-CG2 3.88Å; M897-T901 PolarHBondContact O-N 2.99Å; M897-T901 PolarHBondContact O-OG1 3.18Å; T901-R904 PolarHBondContact O-N 3.17Å; T901-R904 PolarHBondContact OG1-NH2 3.01Å; T901-L905 PolarHBondContact O-N 2.76Å; T901-L905 VanDerWaalsContact O-N 3.07Å; T901-P936 HydrophobicContact CG2-CB 3.92Å; T901-P936 HydrophobicContact CG2-CG 4.1Å; T901-V941 HydrophobicContact CG2-CG2 3.89Å |
| 902 | Y | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 178.9 | -178.3 | -96.6 | 0 | 0 | 0 | 112.8 | F795 L799 L839 L859 F862 W863 I898 A899 S900 R904 L905 L906 | F795-Y902 VanDerWaalsContact CZ-OH 3.28Å; F795-Y902 WeakPolarHBondContact CZ-OH 3.38Å; L799-Y902 HydrophobicContact CD2-CD1 4.45Å; L799-Y902 HydrophobicContact CD2-CE1 3.61Å; L839-Y902 HydrophobicContact CD2-CD2 3.87Å; L839-Y902 HydrophobicContact CD2-CE2 4.29Å; L859-Y902 HydrophobicContact CB-CE2 4.49Å; L859-Y902 HydrophobicContact CD2-CD2 4.35Å; L859-Y902 HydrophobicContact CD2-CE2 3.85Å; L859-Y902 WeakPolarHBondContact O-CE2 3.31Å; L859-Y902 PolarHBondContact O-OH 3.39Å; F862-Y902 AromaticContact CD1-CD2 3.86Å; F862-Y902 HydrophobicContact CD1-CD2 3.86Å; F862-Y902 HydrophobicContact CD1-CE2 4.15Å; F862-Y902 HydrophobicContact CE1-CD2 4.21Å; W863-Y902 HydrophobicContact CB-CD2 4.49Å; W863-Y902 HydrophobicContact CB-CE1 4.16Å; W863-Y902 HydrophobicContact CB-CE2 3.71Å; W863-Y902 WeakPolarHBondContact CB-OH 3.47Å; W863-Y902 AromaticContact CD2-CD1 3.91Å; W863-Y902 HydrophobicContact CD2-CD1 3.91Å; W863-Y902 HydrophobicContact CD2-CD2 4.49Å; W863-Y902 AromaticContact CD2-CE1 3.78Å; W863-Y902 HydrophobicContact CD2-CE1 3.78Å; W863-Y902 HydrophobicContact CD2-CE2 4.38Å; W863-Y902 HydrophobicContact CD2-CG 4.26Å; W863-Y902 AromaticContact CE3-CD1 3.33Å; W863-Y902 HydrophobicContact CE3-CD1 3.33Å; W863-Y902 AromaticContact CE3-CD2 3.65Å; W863-Y902 HydrophobicContact CE3-CD2 3.65Å; W863-Y902 AromaticContact CE3-CE1 3.67Å; W863-Y902 HydrophobicContact CE3-CE1 3.67Å; W863-Y902 AromaticContact CE3-CE2 3.96Å; W863-Y902 HydrophobicContact CE3-CE2 3.96Å; W863-Y902 AromaticContact CE3-CG 3.31Å; W863-Y902 HydrophobicContact CE3-CG 3.31Å; W863-Y902 AromaticContact CE3-CZ 3.96Å; W863-Y902 HydrophobicContact CG-CE1 4.01Å; W863-Y902 HydrophobicContact CG-CE2 4.34Å; W863-Y902 AromaticContact CG-CZ 3.87Å; W863-Y902 HydrophobicContact CH2-CD1 4.34Å; W863-Y902 AromaticContact CZ3-CD1 3.58Å; W863-Y902 HydrophobicContact CZ3-CD1 3.58Å; W863-Y902 HydrophobicContact CZ3-CD2 4.3Å; W863-Y902 HydrophobicContact CZ3-CE1 4.32Å; W863-Y902 AromaticContact CZ3-CG 3.57Å; W863-Y902 HydrophobicContact CZ3-CG 3.57Å; I898-Y902 WeakPolarHBondContact O-CB 3.39Å; I898-Y902 PolarHBondContact O-N 3.08Å; A899-Y902 PolarHBondContact O-N 3.49Å; S900-Y902 VanDerWaalsContact C-N 3.3Å; S900-Y902 PolarHBondContact O-N 3Å; Y902-R904 VanDerWaalsContact C-N 3.31Å; Y902-R904 PolarHBondContact O-N 3.13Å; Y902-L905 PolarHBondContact O-N 3.46Å; Y902-L906 HydrophobicContact CE1-CB 4.33Å; Y902-L906 HydrophobicContact CE1-CD1 4.4Å; Y902-L906 HydrophobicContact CE1-CD2 3.93Å; Y902-L906 HydrophobicContact CE1-CG 4.45Å; Y902-L906 WeakPolarHBondContact O-CB 3.33Å; Y902-L906 PolarHBondContact O-N 3.37Å |
| 903 | L | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -65 | -35.5 | -179.2 | -72.6 | 172.6 | 0 | 0 | 0 | 112.3 | F803 A899 S900 L906 A907 L917 Y918 L921 | F803-L903 HydrophobicContact CE1-CD1 3.56Å; F803-L903 HydrophobicContact CE1-CG 4.34Å; F803-L903 HydrophobicContact CE2-CD1 4.47Å; F803-L903 HydrophobicContact CE2-CD2 4.19Å; F803-L903 HydrophobicContact CE2-CG 4.44Å; F803-L903 HydrophobicContact CZ-CD1 3.41Å; F803-L903 VanDerWaalsContact CZ-CD1 3.41Å; F803-L903 HydrophobicContact CZ-CD2 3.86Å; F803-L903 HydrophobicContact CZ-CG 3.68Å; A899-L903 WeakPolarHBondContact O-CB 3.38Å; A899-L903 WeakPolarHBondContact O-CG 3.13Å; A899-L903 PolarHBondContact O-N 3.11Å; S900-L903 PolarHBondContact O-N 3.08Å; L903-L906 HydrophobicContact CD2-CD2 4.37Å; L903-L906 PolarHBondContact O-N 2.94Å; L903-A907 WeakPolarHBondContact O-CB 3.4Å; L903-A907 PolarHBondContact O-N 3.28Å; L903-L917 HydrophobicContact CD1-CB 3.94Å; L903-L917 HydrophobicContact CD2-CB 3.77Å; L903-L917 HydrophobicContact CD2-CD1 4.17Å; L903-Y918 HydrophobicContact CB-CD2 4.4Å; L903-L921 HydrophobicContact CD1-CD1 4.05Å; L903-L921 HydrophobicContact CD1-CD2 4.46Å; L903-L921 HydrophobicContact CD1-CG 4.31Å |
| 904 | R | 96 | Very high | 94.7 | Very high | 14 Ų | 14 | 3.5 Ų | 3.5 | 5% | 0.053 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -67.7 | -37.1 | 174.1 | -66.6 | 179.7 | -67.6 | 135.3 | -6.3 | 112.3 | M240 S900 T901 Y902 L906 Y918 V930 A933 P934 P936 E940 | M240-R904 HydrophobicContact CE-CB 4.06Å; M240-R904 VanDerWaalsContact CE-O 3.23Å; M240-R904 WeakPolarHBondContact CE-O 3.44Å; S900-R904 WeakPolarHBondContact O-CG 3.39Å; S900-R904 PolarHBondContact O-N 3.46Å; S900-R904 VanDerWaalsContact O-N 3.07Å; S900-R904 PolarHBondContact O-NE 3.29Å; S900-R904 PolarHBondContact OG-NE 3.46Å; T901-R904 PolarHBondContact O-N 3.17Å; T901-R904 PolarHBondContact OG1-NH2 3.01Å; Y902-R904 VanDerWaalsContact C-N 3.31Å; Y902-R904 PolarHBondContact O-N 3.13Å; R904-L906 VanDerWaalsContact C-N 3.34Å; R904-Y918 HydrophobicContact CG-CE2 4.2Å; R904-V930 HydrophobicContact CG-CG2 4.2Å; R904-A933 HydrophobicContact CG-CB 3.93Å; R904-P934 WeakPolarHBondContact CD-O 3.09Å; R904-P934 PolarHBondContact NH1-O 3.41Å; R904-P936 HydrophobicContact CB-CG 3.63Å; R904-E940 IonicContact CZ-OE1 3.22Å; R904-E940 IonicContact CZ-OE2 3.39Å; R904-E940 IonicContact NH1-OE1 3.68Å; R904-E940 PolarHBondContact NH1-OE1 3.01Å; R904-E940 IonicContact NH1-OE2 3.52Å; R904-E940 PolarHBondContact NH1-OE2 3.24Å; R904-E940 IonicContact NH2-OE1 2.65Å; R904-E940 PolarHBondContact NH2-OE1 3.22Å; R904-E940 IonicContact NH2-OE2 3.5Å |
| 905 | L | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -67.1 | -34.8 | 170.1 | -70 | 176.2 | 0 | 0 | 0 | 112.4 | L839 V840 V843 L859 T901 Y902 P908 Y909 Y935 P936 | L839-L905 HydrophobicContact CD2-CD1 3.75Å; L839-L905 HydrophobicContact CG-CD1 3.81Å; V840-L905 HydrophobicContact CG2-CD1 3.89Å; V843-L905 HydrophobicContact CB-CD2 4.37Å; V843-L905 HydrophobicContact CG1-CD2 4.12Å; L859-L905 HydrophobicContact CD2-CB 3.86Å; T901-L905 PolarHBondContact O-N 2.76Å; T901-L905 VanDerWaalsContact O-N 3.07Å; Y902-L905 PolarHBondContact O-N 3.46Å; L905-P908 WeakPolarHBondContact O-CD 3.5Å; L905-Y909 WeakPolarHBondContact O-CD2 3.48Å; L905-Y909 WeakPolarHBondContact O-CE2 3.27Å; L905-Y935 HydrophobicContact CD2-CE1 4.08Å; L905-Y935 HydrophobicContact CD2-CE2 4.3Å; L905-P936 HydrophobicContact CD2-CB 3.91Å; L905-P936 HydrophobicContact CD2-CG 3.96Å; L905-P936 HydrophobicContact CG-CB 4.15Å; L905-P936 HydrophobicContact CG-CG 3.89Å |
| 906 | L | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -76.2 | -31.4 | -177 | -169.5 | 72.1 | 0 | 0 | 0 | 112.8 | L799 L859 Y902 L903 R904 P908 Y909 M910 | L799-L906 HydrophobicContact CD1-CD2 3.88Å; L859-L906 HydrophobicContact CD1-CD1 4.21Å; L859-L906 HydrophobicContact CD2-CD1 4.47Å; Y902-L906 HydrophobicContact CE1-CB 4.33Å; Y902-L906 HydrophobicContact CE1-CD1 4.4Å; Y902-L906 HydrophobicContact CE1-CD2 3.93Å; Y902-L906 HydrophobicContact CE1-CG 4.45Å; Y902-L906 WeakPolarHBondContact O-CB 3.33Å; Y902-L906 PolarHBondContact O-N 3.37Å; L903-L906 HydrophobicContact CD2-CD2 4.37Å; L903-L906 PolarHBondContact O-N 2.94Å; R904-L906 VanDerWaalsContact C-N 3.34Å; L906-P908 VanDerWaalsContact C-CD 3.46Å; L906-Y909 WeakPolarHBondContact O-CA 3.38Å; L906-Y909 WeakPolarHBondContact O-CB 3.34Å; L906-Y909 PolarHBondContact O-N 3.31Å; L906-M910 HydrophobicContact CD1-CG 4.18Å; L906-M910 HydrophobicContact CD1-SD 3.79Å; L906-M910 HydrophobicContact CD2-CB 4.29Å; L906-M910 HydrophobicContact CD2-SD 4.06Å; L906-M910 HydrophobicContact CG-CB 4.06Å; L906-M910 HydrophobicContact CG-CG 4.26Å; L906-M910 HydrophobicContact CG-SD 4.14Å; L906-M910 PolarHBondContact O-N 2.91Å |
| 907 | A | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -37.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | M240 L903 Y909 P911 A914 V930 | M240-A907 HydrophobicContact CE-CB 4.22Å; M240-A907 HydrophobicContact SD-CB 4.17Å; L903-A907 WeakPolarHBondContact O-CB 3.4Å; L903-A907 PolarHBondContact O-N 3.28Å; A907-Y909 PolarHBondContact O-N 2.82Å; A907-P911 WeakPolarHBondContact O-CA 3.22Å; A907-A914 HydrophobicContact CB-CB 3.84Å; A907-V930 HydrophobicContact CB-CG1 3.91Å; A907-V930 HydrophobicContact CB-CG2 3.8Å |
| 908 | P | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.015 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -32.8 | 172.8 | -25 | 35.8 | 0 | 0 | 0 | 113.4 | C233 R236 M240 R769 L905 L906 Y935 | C233-P908 HydrophobicContact CB-CB 4.49Å; C233-P908 PolarHBondContact SG-O 3.16Å; R236-P908 HydrophobicContact CB-CB 4.21Å; R236-P908 HydrophobicContact CB-CG 4.48Å; M240-P908 HydrophobicContact SD-CG 4.21Å; R769-P908 PolarHBondContact NH2-O 2.06Å; L905-P908 WeakPolarHBondContact O-CD 3.5Å; L906-P908 VanDerWaalsContact C-CD 3.46Å; P908-Y935 HydrophobicContact CG-CE2 4.14Å |
| 909 | Y | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -40.1 | -173.9 | -53.5 | -91.8 | 0 | 0 | 0 | 112.7 | R769 L773 V843 F852 S855 V856 L859 L905 L906 A907 | R769-Y909 WeakPolarHBondContact CB-O 3.47Å; R769-Y909 PolarHBondContact NE-O 3.46Å; L773-Y909 HydrophobicContact CD1-CD1 3.89Å; V843-Y909 HydrophobicContact CG1-CE2 4.34Å; F852-Y909 HydrophobicContact CD1-CE1 4.26Å; S855-Y909 WeakPolarHBondContact CB-OH 3.21Å; S855-Y909 PolarHBondContact OG-OH 2.87Å; S855-Y909 VanDerWaalsContact OG-OH 3.12Å; V856-Y909 HydrophobicContact CG2-CD1 3.7Å; V856-Y909 HydrophobicContact CG2-CE1 4.1Å; V856-Y909 HydrophobicContact CG2-CG 4.46Å; L859-Y909 HydrophobicContact CD1-CD2 3.59Å; L859-Y909 HydrophobicContact CD1-CE2 3.73Å; L859-Y909 HydrophobicContact CD1-CG 4.17Å; L905-Y909 WeakPolarHBondContact O-CD2 3.48Å; L905-Y909 WeakPolarHBondContact O-CE2 3.27Å; L906-Y909 WeakPolarHBondContact O-CA 3.38Å; L906-Y909 WeakPolarHBondContact O-CB 3.34Å; L906-Y909 PolarHBondContact O-N 3.31Å; A907-Y909 PolarHBondContact O-N 2.82Å |
| 910 | M | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.047 | C | C | . | . | trans | -129.3 | 70.8 | -177.3 | -58.7 | -178.6 | 70.1 | 0 | 0 | 111.2 | D766 I770 F795 C796 L799 L906 Y912 L913 A914 | D766-M910 HydrophobicContact CB-CB 3.77Å; D766-M910 HydrophobicContact CB-CE 3.63Å; D766-M910 HydrophobicContact CB-CG 3.92Å; D766-M910 VanDerWaalsContact CG-CA 3.49Å; D766-M910 VanDerWaalsContact OD1-C 3.31Å; D766-M910 WeakPolarHBondContact OD1-CA 3.34Å; I770-M910 HydrophobicContact CD1-CG 3.75Å; I770-M910 HydrophobicContact CD1-SD 4.08Å; I770-M910 HydrophobicContact CG1-CG 3.4Å; I770-M910 HydrophobicContact CG1-SD 3.66Å; F795-M910 HydrophobicContact CD1-SD 4.25Å; F795-M910 HydrophobicContact CE1-SD 3.96Å; C796-M910 HydrophobicContact CB-CE 4.36Å; C796-M910 WeakPolarHBondContact SG-CE 3.22Å; L799-M910 HydrophobicContact CD1-CE 4.33Å; L799-M910 HydrophobicContact CD1-SD 4.22Å; L906-M910 HydrophobicContact CD1-CG 4.18Å; L906-M910 HydrophobicContact CD1-SD 3.79Å; L906-M910 HydrophobicContact CD2-CB 4.29Å; L906-M910 HydrophobicContact CD2-SD 4.06Å; L906-M910 HydrophobicContact CG-CB 4.06Å; L906-M910 HydrophobicContact CG-CG 4.26Å; L906-M910 HydrophobicContact CG-SD 4.14Å; L906-M910 PolarHBondContact O-N 2.91Å; M910-Y912 PolarHBondContact O-N 3.12Å; M910-L913 HydrophobicContact CE-CB 4.38Å; M910-L913 HydrophobicContact CE-CD2 3.66Å; M910-A914 WeakPolarHBondContact O-CB 3.45Å; M910-A914 PolarHBondContact O-N 3.36Å | ||
| 911 | P | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -60.6 | -40.7 | -170.5 | 23.6 | -35.5 | 0 | 0 | 0 | 114 | W190 D766 A907 E915 | W190-P911 HydrophobicContact CH2-CB 3.9Å; D766-P911 WeakPolarHBondContact OD1-CD 3.42Å; A907-P911 WeakPolarHBondContact O-CA 3.22Å; P911-E915 WeakPolarHBondContact O-CB 3.36Å; P911-E915 PolarHBondContact O-N 2.79Å |
| 912 | Y | 96.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 9.7 Ų | 9.7 | 2% | 0.02 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -70.3 | -52.1 | -174.9 | -67.7 | -81 | 0 | 0 | 0 | 112.2 | Q183 W186 W190 E302 G305 A765 D766 M910 A914 E915 E916 | Q183-Y912 HydrophobicContact CB-CD1 4.16Å; Q183-Y912 HydrophobicContact CB-CE1 4.33Å; Q183-Y912 HydrophobicContact CB-CG 4.48Å; Q183-Y912 HydrophobicContact CG-CD1 3.9Å; Q183-Y912 HydrophobicContact CG-CD2 3.98Å; Q183-Y912 HydrophobicContact CG-CE1 4.28Å; Q183-Y912 HydrophobicContact CG-CE2 4.34Å; Q183-Y912 HydrophobicContact CG-CG 3.73Å; W186-Y912 HydrophobicContact CB-CD1 4.03Å; W186-Y912 HydrophobicContact CB-CE1 4.32Å; W190-Y912 AromaticContact CH2-CD1 3.68Å; W190-Y912 HydrophobicContact CH2-CD1 3.68Å; W190-Y912 AromaticContact CH2-CE1 3.84Å; W190-Y912 HydrophobicContact CH2-CE1 3.84Å; W190-Y912 HydrophobicContact CH2-CG 4.07Å; W190-Y912 HydrophobicContact CZ3-CD1 4.08Å; W190-Y912 AromaticContact CZ3-CE1 3.72Å; W190-Y912 HydrophobicContact CZ3-CE1 3.72Å; W190-Y912 AromaticContact CZ3-CZ 4Å; E302-Y912 PolarHBondContact O-OH 2.61Å; G305-Y912 VanDerWaalsContact CA-OH 3.27Å; G305-Y912 WeakPolarHBondContact CA-OH 3.42Å; G305-Y912 PolarHBondContact N-OH 3.09Å; A765-Y912 HydrophobicContact CB-CD2 3.96Å; A765-Y912 HydrophobicContact CB-CE2 3.81Å; D766-Y912 PolarHBondContact OD1-N 3.05Å; D766-Y912 WeakPolarHBondContact OD2-CB 3.22Å; D766-Y912 PolarHBondContact OD2-N 3.27Å; M910-Y912 PolarHBondContact O-N 3.12Å; Y912-A914 VanDerWaalsContact C-N 3.32Å; Y912-A914 PolarHBondContact O-N 2.74Å; Y912-E915 PolarHBondContact O-N 3.14Å; Y912-E916 WeakPolarHBondContact O-CB 3.32Å; Y912-E916 PolarHBondContact O-N 2.74Å |
| 913 | L | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -69.3 | -33.6 | -179.6 | -173.4 | 62.5 | 0 | 0 | 0 | 111 | Y177 V182 D766 C796 L799 W800 M910 L917 | Y177-L913 HydrophobicContact CD2-CD1 4.14Å; Y177-L913 HydrophobicContact CE2-CD1 3.94Å; Y177-L913 HydrophobicContact CE2-CD2 4.29Å; V182-L913 HydrophobicContact CG1-CB 4.16Å; V182-L913 HydrophobicContact CG1-CD1 3.96Å; V182-L913 HydrophobicContact CG2-CD1 4.33Å; D766-L913 WeakPolarHBondContact OD2-CB 3.43Å; D766-L913 PolarHBondContact OD2-N 3.32Å; C796-L913 HydrophobicContact CB-CD2 4.07Å; L799-L913 HydrophobicContact CB-CD2 4.08Å; L799-L913 HydrophobicContact CD1-CD2 3.95Å; W800-L913 HydrophobicContact CE3-CD1 4.21Å; M910-L913 HydrophobicContact CE-CB 4.38Å; M910-L913 HydrophobicContact CE-CD2 3.66Å; L913-L917 HydrophobicContact CD1-CD1 3.8Å; L913-L917 HydrophobicContact CD1-CD2 4.31Å; L913-L917 HydrophobicContact CD1-CG 3.84Å; L913-L917 HydrophobicContact CD2-CD1 4.39Å; L913-L917 HydrophobicContact CG-CD1 3.74Å; L913-L917 HydrophobicContact CG-CG 4.15Å; L913-L917 VanDerWaalsContact O-CB 3.29Å; L913-L917 WeakPolarHBondContact O-CB 3.12Å; L913-L917 WeakPolarHBondContact O-CG 3.38Å; L913-L917 PolarHBondContact O-N 3.24Å |
| 914 | A | 96 | Very high | 91.1 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A907 M910 Y912 Y918 V930 | A907-A914 HydrophobicContact CB-CB 3.84Å; M910-A914 WeakPolarHBondContact O-CB 3.45Å; M910-A914 PolarHBondContact O-N 3.36Å; Y912-A914 VanDerWaalsContact C-N 3.32Å; Y912-A914 PolarHBondContact O-N 2.74Å; A914-Y918 WeakPolarHBondContact O-CB 3.42Å; A914-Y918 PolarHBondContact O-N 2.88Å; A914-V930 HydrophobicContact CB-CG1 4.39Å |
| 915 | E | 94.4 | Very high | 90.1 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.5 | -50.6 | 177 | -170.5 | 74.1 | -92.1 | 0 | 0 | 111.7 | W186 W190 P911 Y912 L917 Y918 S919 S929 V930 H931 | W186-E915 HydrophobicContact CD2-CG 4Å; W186-E915 HydrophobicContact CE3-CG 3.79Å; W186-E915 HydrophobicContact CZ3-CG 4.06Å; W190-E915 HydrophobicContact CZ2-CB 3.93Å; W190-E915 HydrophobicContact CZ2-CG 4.12Å; W190-E915 PolarHBondContact NE1-OE2 2.78Å; P911-E915 WeakPolarHBondContact O-CB 3.36Å; P911-E915 PolarHBondContact O-N 2.79Å; Y912-E915 PolarHBondContact O-N 3.14Å; E915-L917 PolarHBondContact O-N 3.16Å; E915-Y918 PolarHBondContact O-N 2.78Å; E915-S919 PolarHBondContact O-N 2.85Å; E915-S929 VanDerWaalsContact OE1-CA 3.26Å; E915-S929 WeakPolarHBondContact OE1-CA 3.43Å; E915-S929 PolarHBondContact OE1-OG 3.47Å; E915-S929 WeakPolarHBondContact OE2-CB 3.27Å; E915-S929 PolarHBondContact OE2-OG 2.97Å; E915-V930 HydrophobicContact CB-CG1 4.15Å; E915-V930 PolarHBondContact OE1-N 2.8Å; E915-H931 IonicContact OE2-CD2 3.06Å; E915-H931 PolarHBondContact OE2-CD2 2.97Å |
| 916 | E | 93.3 | Very high | 89.3 | Confident | 25 Ų | 25 | 22.5 Ų | 22.5 | 12% | 0.117 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -53.5 | -51.7 | 177.9 | 178.7 | 66.9 | -159.3 | 0 | 0 | 111.2 | V182 W186 W800 Y912 S919 | V182-E916 HydrophobicContact CG1-CB 3.99Å; V182-E916 HydrophobicContact CG1-CG 4.25Å; V182-E916 HydrophobicContact CG2-CG 4.32Å; W186-E916 VanDerWaalsContact CZ2-OE2 3.25Å; W186-E916 WeakPolarHBondContact CZ2-OE2 3.2Å; W186-E916 PolarHBondContact NE1-OE2 3.09Å; W800-E916 HydrophobicContact CZ3-CG 4.09Å; Y912-E916 WeakPolarHBondContact O-CB 3.32Å; Y912-E916 PolarHBondContact O-N 2.74Å; E916-S919 WeakPolarHBondContact O-CB 3.39Å; E916-S919 PolarHBondContact O-N 3.39Å; E916-S919 PolarHBondContact O-OG 2.97Å |
| 917 | L | 92.9 | Very high | 88.7 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -73.8 | -30.2 | -177.2 | -62.9 | -180 | 0 | 0 | 0 | 112.8 | L799 W800 F803 L903 L913 E915 L920 | L799-L917 HydrophobicContact CB-CD1 4.14Å; W800-L917 HydrophobicContact CE3-CD2 4.36Å; F803-L917 HydrophobicContact CB-CD1 4.46Å; F803-L917 HydrophobicContact CB-CD2 3.59Å; F803-L917 HydrophobicContact CB-CG 4.5Å; F803-L917 HydrophobicContact CD1-CB 3.93Å; F803-L917 HydrophobicContact CD1-CD2 4.15Å; F803-L917 HydrophobicContact CD1-CG 4.42Å; F803-L917 HydrophobicContact CD2-CB 4.44Å; F803-L917 HydrophobicContact CD2-CD1 3.66Å; F803-L917 HydrophobicContact CD2-CD2 4.3Å; F803-L917 HydrophobicContact CD2-CG 4.35Å; F803-L917 HydrophobicContact CE1-CB 4Å; F803-L917 HydrophobicContact CE2-CB 4.47Å; F803-L917 HydrophobicContact CE2-CD1 3.96Å; F803-L917 HydrophobicContact CG-CB 4.16Å; F803-L917 HydrophobicContact CG-CD1 3.97Å; F803-L917 HydrophobicContact CG-CD2 3.75Å; F803-L917 HydrophobicContact CG-CG 4.17Å; F803-L917 HydrophobicContact CZ-CB 4.27Å; L903-L917 HydrophobicContact CD1-CB 3.94Å; L903-L917 HydrophobicContact CD2-CB 3.77Å; L903-L917 HydrophobicContact CD2-CD1 4.17Å; L913-L917 HydrophobicContact CD1-CD1 3.8Å; L913-L917 HydrophobicContact CD1-CD2 4.31Å; L913-L917 HydrophobicContact CD1-CG 3.84Å; L913-L917 HydrophobicContact CD2-CD1 4.39Å; L913-L917 HydrophobicContact CG-CD1 3.74Å; L913-L917 HydrophobicContact CG-CG 4.15Å; L913-L917 VanDerWaalsContact O-CB 3.29Å; L913-L917 WeakPolarHBondContact O-CB 3.12Å; L913-L917 WeakPolarHBondContact O-CG 3.38Å; L913-L917 PolarHBondContact O-N 3.24Å; E915-L917 PolarHBondContact O-N 3.16Å; L917-L920 HydrophobicContact CD2-CD1 4.27Å; L917-L920 PolarHBondContact O-N 3.38Å |
| 918 | Y | 92.2 | Very high | 88.2 | Confident | 8 Ų | 8 | 29.2 Ų | 29.2 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.2 | -36.8 | 175.6 | -174.8 | -94.1 | 0 | 0 | 0 | 111.4 | L903 R904 A914 E915 L920 L921 M923 K926 A927 V930 A933 | L903-Y918 HydrophobicContact CB-CD2 4.4Å; R904-Y918 HydrophobicContact CG-CE2 4.2Å; A914-Y918 WeakPolarHBondContact O-CB 3.42Å; A914-Y918 PolarHBondContact O-N 2.88Å; E915-Y918 PolarHBondContact O-N 2.78Å; Y918-L920 PolarHBondContact O-N 2.8Å; Y918-L920 VanDerWaalsContact O-N 3.15Å; Y918-L921 HydrophobicContact CD2-CD1 3.45Å; Y918-L921 VanDerWaalsContact CD2-CD1 3.45Å; Y918-L921 HydrophobicContact CE2-CD1 3.79Å; Y918-L921 HydrophobicContact CG-CD1 4.11Å; Y918-L921 WeakPolarHBondContact O-CB 3.47Å; Y918-L921 WeakPolarHBondContact O-CG 3.25Å; Y918-L921 PolarHBondContact O-N 2.86Å; Y918-M923 HydrophobicContact CE2-CE 4.37Å; Y918-K926 HydrophobicContact CE1-CB 4.2Å; Y918-A927 WeakPolarHBondContact CE1-O 3.39Å; Y918-A927 PolarHBondContact OH-N 2.85Å; Y918-A927 VanDerWaalsContact OH-N 3.12Å; Y918-V930 HydrophobicContact CD1-CB 3.85Å; Y918-V930 HydrophobicContact CD1-CG2 4.42Å; Y918-V930 HydrophobicContact CD2-CB 4.07Å; Y918-V930 HydrophobicContact CD2-CG2 3.73Å; Y918-V930 HydrophobicContact CE1-CB 4.44Å; Y918-V930 HydrophobicContact CE2-CG2 4.28Å; Y918-V930 HydrophobicContact CG-CB 3.65Å; Y918-V930 HydrophobicContact CG-CG2 3.82Å; Y918-A933 HydrophobicContact CE2-CB 4.48Å |
| 919 | S | 86.2 | Confident | 87.8 | Confident | 46 Ų | 46 | 29.2 Ų | 29.2 | 32% | 0.322 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.6 | -31.4 | 175.6 | 83.1 | 0 | 0 | 0 | 0 | 112.5 | E915 E916 L921 K926 | E915-S919 PolarHBondContact O-N 2.85Å; E916-S919 WeakPolarHBondContact O-CB 3.39Å; E916-S919 PolarHBondContact O-N 3.39Å; E916-S919 PolarHBondContact O-OG 2.97Å; S919-L921 VanDerWaalsContact C-N 3.33Å; S919-L921 PolarHBondContact O-N 3.41Å; S919-K926 PolarHBondContact O-NZ 2.88Å |
| 920 | L | 84.6 | Confident | 87.5 | Confident | 66 Ų | 66 | 29.2 Ų | 29.2 | 35% | 0.346 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -6.4 | -179.6 | -56.8 | 176.4 | 0 | 0 | 0 | 114.2 | L917 Y918 | L917-L920 HydrophobicContact CD2-CD1 4.27Å; L917-L920 PolarHBondContact O-N 3.38Å; Y918-L920 PolarHBondContact O-N 2.8Å; Y918-L920 VanDerWaalsContact O-N 3.15Å |
| 921 | L | 85.2 | Confident | 87.1 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | trans | -70.3 | 134.3 | -179.6 | -67.7 | 173.6 | 0 | 0 | 0 | 111.4 | F803 W810 A899 L903 Y918 S919 M923 K926 | F803-L921 HydrophobicContact CE1-CD2 4.25Å; W810-L921 HydrophobicContact CH2-CD2 3.61Å; W810-L921 HydrophobicContact CZ2-CD2 4.35Å; W810-L921 HydrophobicContact CZ3-CD2 3.97Å; A899-L921 HydrophobicContact CB-CD2 3.81Å; L903-L921 HydrophobicContact CD1-CD1 4.05Å; L903-L921 HydrophobicContact CD1-CD2 4.46Å; L903-L921 HydrophobicContact CD1-CG 4.31Å; Y918-L921 HydrophobicContact CD2-CD1 3.45Å; Y918-L921 VanDerWaalsContact CD2-CD1 3.45Å; Y918-L921 HydrophobicContact CE2-CD1 3.79Å; Y918-L921 HydrophobicContact CG-CD1 4.11Å; Y918-L921 WeakPolarHBondContact O-CB 3.47Å; Y918-L921 WeakPolarHBondContact O-CG 3.25Å; Y918-L921 PolarHBondContact O-N 2.86Å; S919-L921 VanDerWaalsContact C-N 3.33Å; S919-L921 PolarHBondContact O-N 3.41Å; L921-M923 VanDerWaalsContact C-N 3.29Å; L921-M923 HydrophobicContact CB-CE 4.17Å; L921-M923 HydrophobicContact CD1-CE 3.72Å; L921-M923 PolarHBondContact O-N 3.28Å; L921-K926 PolarHBondContact O-NZ 3.3Å | ||
| 922 | P | 79 | Confident | 86.6 | Confident | 34 Ų | 34 | 32.7 Ų | 32.7 | 22% | 0.221 | 20% | 0.196 | C | C | . | . | trans | -89.9 | 46.3 | -178.4 | 40.7 | -43 | 0 | 0 | 0 | 112.5 | W810 L817 A896 | W810-P922 HydrophobicContact CB-CB 4.23Å; W810-P922 HydrophobicContact CB-CG 3.83Å; W810-P922 HydrophobicContact CD2-CG 3.75Å; W810-P922 HydrophobicContact CE3-CG 4.21Å; W810-P922 HydrophobicContact CG-CB 4.47Å; W810-P922 HydrophobicContact CG-CG 3.56Å; L817-P922 HydrophobicContact CD1-CG 3.78Å; L817-P922 HydrophobicContact CG-CG 4.48Å; L817-P922 PolarHBondContact N-O 3.27Å; A896-P922 HydrophobicContact CB-CG 4.48Å | ||
| 923 | M | 76.8 | Confident | 86.3 | Confident | 29 Ų | 29 | 32.5 Ų | 32.5 | 14% | 0.143 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -103.6 | 138.2 | -179.2 | -60.3 | -177.1 | -50.5 | 0 | 0 | 110.5 | S900 Y918 L921 K926 | S900-M923 VanDerWaalsContact CB-SD 3.59Å; S900-M923 WeakPolarHBondContact OG-CE 3.14Å; Y918-M923 HydrophobicContact CE2-CE 4.37Å; L921-M923 VanDerWaalsContact C-N 3.29Å; L921-M923 HydrophobicContact CB-CE 4.17Å; L921-M923 HydrophobicContact CD1-CE 3.72Å; L921-M923 PolarHBondContact O-N 3.28Å; M923-K926 HydrophobicContact CB-CB 4.24Å; M923-K926 HydrophobicContact CE-CB 4.05Å |
| 924 | A | 69.6 | Low | 86 | Confident | 79 Ų | 79 | 37 Ų | 37 | 65% | 0.653 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -35.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P816 | P816-A924 HydrophobicContact CB-CB 3.59Å; P816-A924 HydrophobicContact CG-CB 4.26Å |
| 925 | D | 73.5 | Confident | 85.8 | Confident | 94 Ų | 94 | 37.3 Ų | 37.3 | 50% | 0.503 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 15 | -174.8 | 69.9 | -44.4 | 0 | 0 | 0 | 112.8 | L819 A927 | L819-D925 HydrophobicContact CD1-CB 4.47Å; L819-D925 VanDerWaalsContact CD1-CG 3.49Å; L819-D925 VanDerWaalsContact CD1-OD2 3.27Å; L819-D925 WeakPolarHBondContact CD1-OD2 3.11Å; D925-A927 PolarHBondContact O-N 2.9Å |
| 926 | K | 81.8 | Confident | 85.7 | Confident | 81 Ų | 81 | 37.1 Ų | 37.1 | 35% | 0.352 | 23% | 0.226 | S | C | . | . | trans | -60.2 | 139.8 | 178.2 | 71.6 | -179.2 | 177.9 | -172 | 0 | 110.3 | Y918 S919 L921 M923 | Y918-K926 HydrophobicContact CE1-CB 4.2Å; S919-K926 PolarHBondContact O-NZ 2.88Å; L921-K926 PolarHBondContact O-NZ 3.3Å; M923-K926 HydrophobicContact CB-CB 4.24Å; M923-K926 HydrophobicContact CE-CB 4.05Å | ||
| 927 | A | 84.8 | Confident | 85.5 | Confident | 26 Ų | 26 | 38.2 Ų | 38.2 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | trans | -63.4 | 156.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y918 D925 S929 C932 A933 | Y918-A927 WeakPolarHBondContact CE1-O 3.39Å; Y918-A927 PolarHBondContact OH-N 2.85Å; Y918-A927 VanDerWaalsContact OH-N 3.12Å; D925-A927 PolarHBondContact O-N 2.9Å; A927-S929 WeakPolarHBondContact CB-O 3.37Å; A927-S929 PolarHBondContact O-N 3.25Å; A927-C932 HydrophobicContact CB-CB 4.14Å; A927-A933 HydrophobicContact CB-CB 3.96Å | ||
| 928 | V | 84.2 | Confident | 85.3 | Confident | 115 Ų | 115 | 40.2 Ų | 40.2 | 70% | 0.697 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -60.6 | -33.5 | 177.9 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | W189 F195 | W189-V928 HydrophobicContact CH2-CG1 4Å; W189-V928 WeakPolarHBondContact CH2-O 3.39Å; W189-V928 HydrophobicContact CZ2-CG1 3.84Å; F195-V928 HydrophobicContact CZ-CG1 4.23Å |
| 929 | S | 88.9 | Confident | 85 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -131.7 | 147.8 | 174.6 | 162.8 | 0 | 0 | 0 | 0 | 109.8 | E915 A927 H931 C932 A933 | E915-S929 VanDerWaalsContact OE1-CA 3.26Å; E915-S929 WeakPolarHBondContact OE1-CA 3.43Å; E915-S929 PolarHBondContact OE1-OG 3.47Å; E915-S929 WeakPolarHBondContact OE2-CB 3.27Å; E915-S929 PolarHBondContact OE2-OG 2.97Å; A927-S929 WeakPolarHBondContact CB-O 3.37Å; A927-S929 PolarHBondContact O-N 3.25Å; S929-H931 PolarHBondContact O-N 3.34Å; S929-H931 VanDerWaalsContact O-N 3.17Å; S929-H931 PolarHBondContact OG-N 2.87Å; S929-C932 PolarHBondContact O-N 3.19Å; S929-A933 PolarHBondContact O-N 3.27Å |
| 930 | V | 90.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -57 | -28.9 | 171.6 | 72.6 | 0 | 0 | 0 | 0 | 112.1 | M240 R904 A907 A914 E915 Y918 C932 A933 | M240-V930 WeakPolarHBondContact CE-O 3.36Å; R904-V930 HydrophobicContact CG-CG2 4.2Å; A907-V930 HydrophobicContact CB-CG1 3.91Å; A907-V930 HydrophobicContact CB-CG2 3.8Å; A914-V930 HydrophobicContact CB-CG1 4.39Å; E915-V930 HydrophobicContact CB-CG1 4.15Å; E915-V930 PolarHBondContact OE1-N 2.8Å; Y918-V930 HydrophobicContact CD1-CB 3.85Å; Y918-V930 HydrophobicContact CD1-CG2 4.42Å; Y918-V930 HydrophobicContact CD2-CB 4.07Å; Y918-V930 HydrophobicContact CD2-CG2 3.73Å; Y918-V930 HydrophobicContact CE1-CB 4.44Å; Y918-V930 HydrophobicContact CE2-CG2 4.28Å; Y918-V930 HydrophobicContact CG-CB 3.65Å; Y918-V930 HydrophobicContact CG-CG2 3.82Å; V930-C932 VanDerWaalsContact C-N 3.28Å; V930-C932 PolarHBondContact O-N 3.24Å; V930-A933 WeakPolarHBondContact O-CB 3.26Å; V930-A933 PolarHBondContact O-N 2.79Å |
| 931 | H | 87.7 | Confident | 84.9 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -77.8 | -13.3 | 179.1 | -59.6 | -51.5 | 0 | 0 | 0 | 113.8 | W190 R236 E915 S929 | W190-H931 AromaticContact CE2-CD2 3.88Å; W190-H931 AromaticContact CE2-NE2 3.93Å; W190-H931 AromaticContact CZ2-NE2 3.58Å; W190-H931 AromaticContact NE1-CD2 3.79Å; R236-H931 PolarHBondContact NH1-CD2 3.39Å; R236-H931 PolarHBondContact NH1-CE1 3.05Å; R236-H931 VanDerWaalsContact NH1-CG 3.32Å; R236-H931 PolarHBondContact NH1-ND1 2.89Å; R236-H931 PolarHBondContact NH1-NE2 3.43Å; E915-H931 IonicContact OE2-CD2 3.06Å; E915-H931 PolarHBondContact OE2-CD2 2.97Å; S929-H931 PolarHBondContact O-N 3.34Å; S929-H931 VanDerWaalsContact O-N 3.17Å; S929-H931 PolarHBondContact OG-N 2.87Å |
| 932 | C | 85.5 | Confident | 84.9 | Confident | 66 Ų | 66 | 50 Ų | 50 | 45% | 0.446 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -95.6 | -9 | 170.4 | -62.7 | 0 | 0 | 0 | 0 | 112.1 | F195 A927 S929 V930 | F195-C932 WeakPolarHBondContact CD1-SG 3.48Å; A927-C932 HydrophobicContact CB-CB 4.14Å; S929-C932 PolarHBondContact O-N 3.19Å; V930-C932 VanDerWaalsContact C-N 3.28Å; V930-C932 PolarHBondContact O-N 3.24Å |
| 933 | A | 89.5 | Confident | 85.3 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -76 | 142.1 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | R904 Y918 A927 S929 V930 Y935 | R904-A933 HydrophobicContact CG-CB 3.93Å; Y918-A933 HydrophobicContact CE2-CB 4.48Å; A927-A933 HydrophobicContact CB-CB 3.96Å; S929-A933 PolarHBondContact O-N 3.27Å; V930-A933 WeakPolarHBondContact O-CB 3.26Å; V930-A933 PolarHBondContact O-N 2.79Å; A933-Y935 PolarHBondContact O-N 3.41Å |
| 934 | P | 88.7 | Confident | 85.9 | Confident | 93 Ų | 93 | 54.5 Ų | 54.5 | 60% | 0.604 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 133.8 | 176.3 | -24.7 | 33.8 | 0 | 0 | 0 | 112 | R904 | R904-P934 WeakPolarHBondContact CD-O 3.09Å; R904-P934 PolarHBondContact NH1-O 3.41Å |
| 935 | Y | 91.5 | Very high | 86.9 | Confident | 7 Ų | 7 | 52 Ų | 52 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 134.8 | 175.4 | -169 | -97.7 | 0 | 0 | 0 | 110.3 | M240 C241 V843 L847 L905 P908 A933 T937 | M240-Y935 HydrophobicContact CB-CD2 4.18Å; M240-Y935 HydrophobicContact CB-CG 4.41Å; M240-Y935 HydrophobicContact CE-CD2 4.3Å; M240-Y935 PolarHBondContact O-N 2.92Å; M240-Y935 HydrophobicContact SD-CD2 4.43Å; C241-Y935 VanDerWaalsContact SG-CB 3.59Å; V843-Y935 WeakPolarHBondContact CG1-OH 3.42Å; L847-Y935 HydrophobicContact CD2-CE2 4.44Å; L905-Y935 HydrophobicContact CD2-CE1 4.08Å; L905-Y935 HydrophobicContact CD2-CE2 4.3Å; P908-Y935 HydrophobicContact CG-CE2 4.14Å; A933-Y935 PolarHBondContact O-N 3.41Å; Y935-T937 PolarHBondContact O-N 3.26Å |
| 936 | P | 92.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 126 | -179.8 | -23.4 | 36.3 | 0 | 0 | 0 | 111.7 | V840 T901 R904 L905 E940 | V840-P936 HydrophobicContact CG1-CB 4.41Å; V840-P936 HydrophobicContact CG2-CB 4.24Å; T901-P936 HydrophobicContact CG2-CB 3.92Å; T901-P936 HydrophobicContact CG2-CG 4.1Å; R904-P936 HydrophobicContact CB-CG 3.63Å; L905-P936 HydrophobicContact CD2-CB 3.91Å; L905-P936 HydrophobicContact CD2-CG 3.96Å; L905-P936 HydrophobicContact CG-CB 4.15Å; L905-P936 HydrophobicContact CG-CG 3.89Å; P936-E940 WeakPolarHBondContact CA-OE2 3.24Å |
| 937 | T | 89 | Confident | 88.2 | Confident | 48 Ų | 48 | 52.3 Ų | 52.3 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | trans | -109.5 | 155.1 | 177.5 | 60.6 | 0 | 0 | 0 | 0 | 111 | V840 Y935 S939 E940 V941 | V840-T937 VanDerWaalsContact CG1-C 3.47Å; Y935-T937 PolarHBondContact O-N 3.26Å; T937-S939 PolarHBondContact O-N 2.95Å; T937-S939 PolarHBondContact OG1-OG 3.47Å; T937-E940 WeakPolarHBondContact O-CB 3.33Å; T937-E940 PolarHBondContact O-N 2.96Å; T937-V941 PolarHBondContact O-N 3.25Å | ||
| 938 | P | 88.9 | Confident | 88.5 | Confident | 44 Ų | 44 | 51.5 Ų | 51.5 | 29% | 0.286 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -25.6 | 175 | -28 | 36.1 | 0 | 0 | 0 | 113.8 | V840 I841 V941 N942 | V840-P938 HydrophobicContact CG1-CG 4.38Å; I841-P938 HydrophobicContact CG1-CB 4.01Å; I841-P938 HydrophobicContact CG1-CG 4.07Å; P938-V941 CarbonylContact O-C 3.51Å; P938-N942 WeakPolarHBondContact O-CB 3.43Å |
| 939 | S | 86 | Confident | 88.8 | Confident | 98 Ų | 98 | 46.6 Ų | 46.6 | 69% | 0.685 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -25.9 | 174.6 | 53.1 | 0 | 0 | 0 | 0 | 114.1 | T937 | T937-S939 PolarHBondContact O-N 2.95Å; T937-S939 PolarHBondContact OG1-OG 3.47Å |
| 940 | E | 85.6 | Confident | 88.9 | Confident | 86 Ų | 86 | 51.2 Ų | 51.2 | 40% | 0.402 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -44.8 | 177.7 | -169 | -165.6 | 145.7 | 0 | 0 | 110.9 | R904 P936 T937 | R904-E940 IonicContact CZ-OE1 3.22Å; R904-E940 IonicContact CZ-OE2 3.39Å; R904-E940 IonicContact NH1-OE1 3.68Å; R904-E940 PolarHBondContact NH1-OE1 3.01Å; R904-E940 IonicContact NH1-OE2 3.52Å; R904-E940 PolarHBondContact NH1-OE2 3.24Å; R904-E940 IonicContact NH2-OE1 2.65Å; R904-E940 PolarHBondContact NH2-OE1 3.22Å; R904-E940 IonicContact NH2-OE2 3.5Å; P936-E940 WeakPolarHBondContact CA-OE2 3.24Å; T937-E940 WeakPolarHBondContact O-CB 3.33Å; T937-E940 PolarHBondContact O-N 2.96Å |
| 941 | V | 84 | Confident | 89 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -117.8 | 79.9 | -179.6 | -166.6 | 0 | 0 | 0 | 0 | 108.8 | L836 S837 V840 T901 T937 P938 | L836-V941 HydrophobicContact CB-CG1 4.45Å; L836-V941 HydrophobicContact CD2-CG1 3.92Å; L836-V941 HydrophobicContact CG-CG1 4.04Å; S837-V941 WeakPolarHBondContact CB-O 3.46Å; S837-V941 PolarHBondContact OG-O 3.26Å; S837-V941 VanDerWaalsContact OG-O 3.1Å; V840-V941 HydrophobicContact CG2-CB 4.34Å; V840-V941 HydrophobicContact CG2-CG2 4.38Å; T901-V941 HydrophobicContact CG2-CG2 3.89Å; T937-V941 PolarHBondContact O-N 3.25Å; P938-V941 CarbonylContact O-C 3.51Å |
| 942 | N | 84.2 | Confident | 89.2 | Confident | 127 Ų | 127 | 51.2 Ų | 51.2 | 68% | 0.679 | 29% | 0.289 | S | S | * | . | trans | -109 | 65.2 | -176.5 | -171.7 | 13.1 | 0 | 0 | 0 | 111.6 | P938 | P938-N942 WeakPolarHBondContact O-CB 3.43Š| ||
| 943 | F | 88 | Confident | 89.4 | Confident | 72 Ų | 72 | 55.1 Ų | 55.1 | 32% | 0.316 | 29% | 0.294 | S | S | . | . | trans | -126.6 | 84.8 | 175.7 | -172 | -87.7 | 0 | 0 | 0 | 109 | R830 L833 S834 S837 D945 | R830-F943 HydrophobicContact CB-CE1 3.66Å; R830-F943 HydrophobicContact CB-CZ 3.78Å; R830-F943 HydrophobicContact CG-CE1 4.06Å; R830-F943 HydrophobicContact CG-CZ 3.65Å; R830-F943 WeakPolarHBondContact O-CD1 3.42Å; R830-F943 WeakPolarHBondContact O-CE1 3.49Å; L833-F943 HydrophobicContact CB-CB 4.2Å; L833-F943 HydrophobicContact CB-CD1 3.63Å; L833-F943 HydrophobicContact CB-CE1 4.39Å; L833-F943 HydrophobicContact CB-CG 4.06Å; S834-F943 WeakPolarHBondContact CA-O 3.14Å; S834-F943 PolarHBondContact N-O 3.48Å; S837-F943 PolarHBondContact OG-N 3.48Å; S837-F943 PolarHBondContact OG-O 2.97Å; F943-D945 HydrophobicContact CE1-CB 4.35Å | ||
| 944 | L | 88.8 | Confident | 89.4 | Confident | 86 Ų | 86 | 56.4 Ų | 56.4 | 45% | 0.45 | 30% | 0.299 | S | S | . | . | trans | -102.1 | 124.2 | 177.2 | -70.9 | 169.4 | 0 | 0 | 0 | 110.9 | I841 | I841-L944 HydrophobicContact CD1-CD1 3.78Å; I841-L944 HydrophobicContact CD1-CD2 4.24Å; I841-L944 HydrophobicContact CD1-CG 4.43Å | ||
| 945 | D | 92.3 | Very high | 89.5 | Confident | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | trans | -130.9 | 80.5 | 172.8 | -166.4 | -32.5 | 0 | 0 | 0 | 109.6 | R830 S834 F943 H947 L948 E949 | R830-D945 IonicContact CZ-OD2 3.76Å; R830-D945 IonicContact NE-OD2 2.71Å; R830-D945 IonicContact NH2-OD2 3.21Å; R830-D945 PolarHBondContact NH2-OD2 3.47Å; S834-D945 PolarHBondContact OG-N 3.14Å; F943-D945 HydrophobicContact CE1-CB 4.35Å; D945-H947 PolarHBondContact O-N 3.43Å; D945-H947 VanDerWaalsContact O-N 3.11Å; D945-H947 PolarHBondContact OD1-N 3.07Å; D945-L948 HydrophobicContact CB-CB 4.11Å; D945-L948 HydrophobicContact CB-CD1 4.07Å; D945-L948 HydrophobicContact CB-CG 4.27Å; D945-L948 PolarHBondContact O-N 2.92Å; D945-L948 VanDerWaalsContact O-N 3.13Å; D945-L948 PolarHBondContact OD1-N 2.82Å; D945-L948 WeakPolarHBondContact OD2-CD1 3.44Å; D945-L948 WeakPolarHBondContact OD2-CG 3.35Å; D945-E949 PolarHBondContact O-N 3.29Å; D945-E949 VanDerWaalsContact O-N 3.08Å | ||
| 946 | P | 89.8 | Confident | 89.2 | Confident | 92 Ų | 92 | 57 Ų | 57 | 60% | 0.597 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58.5 | -26.8 | -177.9 | -24.9 | 34.4 | 0 | 0 | 0 | 113.3 | E949 M950 | P946-E949 PolarHBondContact O-N 2.9Å; P946-M950 WeakPolarHBondContact O-CB 3.37Å; P946-M950 PolarHBondContact O-N 3.04Å |
| 947 | H | 91 | Very high | 88.9 | Confident | 89 Ų | 89 | 60.9 Ų | 60.9 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.2 | -44.4 | 178.4 | -171.5 | -102.9 | 0 | 0 | 0 | 111.1 | D945 E949 M950 Q951 | D945-H947 PolarHBondContact O-N 3.43Å; D945-H947 VanDerWaalsContact O-N 3.11Å; D945-H947 PolarHBondContact OD1-N 3.07Å; H947-E949 VanDerWaalsContact C-N 3.33Å; H947-E949 PolarHBondContact O-N 3.32Å; H947-M950 PolarHBondContact O-N 2.77Å; H947-Q951 PolarHBondContact CE1-NE2 2.88Å; H947-Q951 PolarHBondContact ND1-NE2 2.72Å; H947-Q951 WeakPolarHBondContact O-CG 3.37Å; H947-Q951 PolarHBondContact O-N 3.01Å |
| 948 | L | 91 | Very high | 88.8 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 171.1 | -76.6 | 178.9 | 0 | 0 | 0 | 112.3 | P827 R830 D945 M950 Q951 M952 F994 | P827-L948 HydrophobicContact CB-CD2 4.39Å; R830-L948 HydrophobicContact CB-CD1 3.55Å; D945-L948 HydrophobicContact CB-CB 4.11Å; D945-L948 HydrophobicContact CB-CD1 4.07Å; D945-L948 HydrophobicContact CB-CG 4.27Å; D945-L948 PolarHBondContact O-N 2.92Å; D945-L948 VanDerWaalsContact O-N 3.13Å; D945-L948 PolarHBondContact OD1-N 2.82Å; D945-L948 WeakPolarHBondContact OD2-CD1 3.44Å; D945-L948 WeakPolarHBondContact OD2-CG 3.35Å; L948-M950 VanDerWaalsContact C-N 3.35Å; L948-M950 PolarHBondContact O-N 3.2Å; L948-Q951 PolarHBondContact O-N 3.48Å; L948-M952 WeakPolarHBondContact O-CB 3.23Å; L948-M952 PolarHBondContact O-N 3.44Å; L948-F994 HydrophobicContact CD2-CE2 4.27Å; L948-F994 HydrophobicContact CD2-CZ 4.11Å |
| 949 | E | 91.8 | Very high | 88.8 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 174.8 | -68.3 | -163.6 | -162.8 | 0 | 0 | 112.3 | S834 R835 S838 D945 P946 H947 M952 R953 | S834-E949 WeakPolarHBondContact CB-OE1 3.33Å; S834-E949 WeakPolarHBondContact OG-CG 3.45Å; S834-E949 PolarHBondContact OG-OE1 2.83Å; R835-E949 WeakPolarHBondContact CD-OE2 3.49Å; R835-E949 IonicContact CZ-OE2 3.18Å; R835-E949 IonicContact NH1-OE1 3.29Å; R835-E949 IonicContact NH1-OE2 3.71Å; R835-E949 PolarHBondContact NH1-OE2 2.82Å; S838-E949 PolarHBondContact OG-OE1 2.89Å; D945-E949 PolarHBondContact O-N 3.29Å; D945-E949 VanDerWaalsContact O-N 3.08Å; P946-E949 PolarHBondContact O-N 2.9Å; H947-E949 VanDerWaalsContact C-N 3.33Å; H947-E949 PolarHBondContact O-N 3.32Å; E949-M952 PolarHBondContact O-N 3.01Å; E949-R953 WeakPolarHBondContact O-CG 3.29Å; E949-R953 PolarHBondContact O-N 3.36Å |
| 950 | M | 90.3 | Very high | 88.7 | Confident | 97 Ų | 97 | 58.4 Ų | 58.4 | 48% | 0.478 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 177 | -165.5 | 178.8 | -60.1 | 0 | 0 | 112.1 | P946 H947 L948 M952 R953 F954 I986 | P946-M950 WeakPolarHBondContact O-CB 3.37Å; P946-M950 PolarHBondContact O-N 3.04Å; H947-M950 PolarHBondContact O-N 2.77Å; L948-M950 VanDerWaalsContact C-N 3.35Å; L948-M950 PolarHBondContact O-N 3.2Å; M950-M952 VanDerWaalsContact C-N 3.31Å; M950-M952 PolarHBondContact O-N 3.48Å; M950-R953 PolarHBondContact O-N 3.11Å; M950-F954 PolarHBondContact O-N 3.01Å; M950-I986 HydrophobicContact CG-CG2 4.22Å; M950-I986 HydrophobicContact SD-CD1 3.48Å; M950-I986 WeakPolarHBondContact SD-CD1 3.48Å; M950-I986 HydrophobicContact SD-CG1 4.43Å; M950-I986 HydrophobicContact SD-CG2 4.45Å |
| 951 | Q | 93 | Very high | 88.7 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 172.5 | -72 | 178.5 | 27.1 | 0 | 0 | 111.5 | H947 L948 F954 V955 I986 S989 A990 N993 F994 | H947-Q951 PolarHBondContact CE1-NE2 2.88Å; H947-Q951 PolarHBondContact ND1-NE2 2.72Å; H947-Q951 WeakPolarHBondContact O-CG 3.37Å; H947-Q951 PolarHBondContact O-N 3.01Å; L948-Q951 PolarHBondContact O-N 3.48Å; Q951-F954 WeakPolarHBondContact O-CB 3.17Å; Q951-F954 PolarHBondContact O-N 3.46Å; Q951-V955 WeakPolarHBondContact O-CG2 3.38Å; Q951-V955 PolarHBondContact O-N 3.16Å; Q951-I986 HydrophobicContact CG-CG2 3.89Å; Q951-S989 PolarHBondContact OE1-O 3.02Å; Q951-A990 HydrophobicContact CB-CB 3.67Å; Q951-A990 HydrophobicContact CG-CB 3.92Å; Q951-N993 PolarHBondContact OE1-ND2 2.76Å; Q951-F994 HydrophobicContact CB-CD2 4.33Å; Q951-F994 HydrophobicContact CB-CE2 3.77Å |
| 952 | M | 91.9 | Very high | 88.9 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.9 | -28.7 | -177.4 | -167.3 | 57.5 | -169.2 | 0 | 0 | 112.9 | W831 I870 L948 E949 M950 V955 R956 F994 L997 | W831-M952 VanDerWaalsContact CD1-CB 3.47Å; W831-M952 HydrophobicContact CD2-CB 4.27Å; W831-M952 HydrophobicContact CD2-CG 3.76Å; W831-M952 HydrophobicContact CE3-CG 4.46Å; W831-M952 HydrophobicContact CG-CB 4.03Å; W831-M952 HydrophobicContact CG-CG 4.03Å; W831-M952 HydrophobicContact CH2-CE 4.39Å; W831-M952 HydrophobicContact CH2-CG 4.43Å; W831-M952 HydrophobicContact CZ2-CE 4.49Å; W831-M952 HydrophobicContact CZ2-CG 3.73Å; I870-M952 HydrophobicContact CD1-CE 3.75Å; I870-M952 HydrophobicContact CG1-CE 4.38Å; I870-M952 HydrophobicContact CG2-CE 3.62Å; L948-M952 WeakPolarHBondContact O-CB 3.23Å; L948-M952 PolarHBondContact O-N 3.44Å; E949-M952 PolarHBondContact O-N 3.01Å; M950-M952 VanDerWaalsContact C-N 3.31Å; M950-M952 PolarHBondContact O-N 3.48Å; M952-V955 HydrophobicContact CE-CG1 4.08Å; M952-V955 PolarHBondContact O-N 3.43Å; M952-V955 HydrophobicContact SD-CB 3.72Å; M952-V955 HydrophobicContact SD-CG1 3.71Å; M952-V955 HydrophobicContact SD-CG2 4.36Å; M952-R956 WeakPolarHBondContact O-CB 3.42Å; M952-R956 PolarHBondContact O-N 3.48Å; M952-F994 HydrophobicContact CB-CE2 4.39Å; M952-F994 HydrophobicContact CB-CZ 4.17Å; M952-F994 HydrophobicContact SD-CD1 3.77Å; M952-F994 HydrophobicContact SD-CD2 4.48Å; M952-F994 HydrophobicContact SD-CE1 3.86Å; M952-F994 HydrophobicContact SD-CG 4.1Å; M952-F994 HydrophobicContact SD-CZ 4.27Å; M952-L997 HydrophobicContact CE-CD2 3.57Å; M952-L997 HydrophobicContact SD-CD2 3.94Å |
| 953 | R | 89.4 | Confident | 89 | Confident | 148 Ų | 148 | 55.5 Ų | 55.5 | 56% | 0.558 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -58.4 | -48.3 | 167.9 | -74.4 | 176 | -168 | 177.2 | 5 | 110.8 | E949 M950 V955 R956 D957 | E949-R953 WeakPolarHBondContact O-CG 3.29Å; E949-R953 PolarHBondContact O-N 3.36Å; M950-R953 PolarHBondContact O-N 3.11Å; R953-V955 VanDerWaalsContact C-N 3.34Å; R953-V955 PolarHBondContact O-N 3.42Å; R953-R956 PolarHBondContact O-N 3.07Å; R953-D957 PolarHBondContact O-N 3.17Å |
| 954 | F | 89.8 | Confident | 88.7 | Confident | 29 Ų | 29 | 53.3 Ų | 53.3 | 13% | 0.127 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 174.2 | 172.4 | -100.3 | 0 | 0 | 0 | 112 | M950 Q951 R956 D957 L958 Q987 A990 I991 I1031 | M950-F954 PolarHBondContact O-N 3.01Å; Q951-F954 WeakPolarHBondContact O-CB 3.17Å; Q951-F954 PolarHBondContact O-N 3.46Å; F954-R956 PolarHBondContact O-N 3.31Å; F954-D957 PolarHBondContact O-N 2.8Å; F954-L958 HydrophobicContact CE1-CD2 4.07Å; F954-L958 HydrophobicContact CZ-CD2 4.34Å; F954-L958 VanDerWaalsContact O-CB 3.27Å; F954-L958 WeakPolarHBondContact O-CB 3.49Å; F954-L958 PolarHBondContact O-N 3.08Å; F954-Q987 HydrophobicContact CD2-CG 3.98Å; F954-Q987 HydrophobicContact CE1-CB 4.1Å; F954-Q987 HydrophobicContact CE1-CG 4.38Å; F954-Q987 HydrophobicContact CE2-CB 4.29Å; F954-Q987 HydrophobicContact CE2-CG 3.77Å; F954-Q987 HydrophobicContact CG-CG 4.37Å; F954-Q987 HydrophobicContact CZ-CB 3.98Å; F954-Q987 HydrophobicContact CZ-CG 3.98Å; F954-A990 HydrophobicContact CD1-CB 3.75Å; F954-A990 HydrophobicContact CE1-CB 4.41Å; F954-I991 HydrophobicContact CE1-CG1 4.25Å; F954-I1031 HydrophobicContact CZ-CD1 4.16Å |
| 955 | V | 90.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 177.5 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | Q951 M952 R953 L958 V959 A990 F994 M998 | Q951-V955 WeakPolarHBondContact O-CG2 3.38Å; Q951-V955 PolarHBondContact O-N 3.16Å; M952-V955 HydrophobicContact CE-CG1 4.08Å; M952-V955 PolarHBondContact O-N 3.43Å; M952-V955 HydrophobicContact SD-CB 3.72Å; M952-V955 HydrophobicContact SD-CG1 3.71Å; M952-V955 HydrophobicContact SD-CG2 4.36Å; R953-V955 VanDerWaalsContact C-N 3.34Å; R953-V955 PolarHBondContact O-N 3.42Å; V955-L958 PolarHBondContact O-N 2.95Å; V955-V959 HydrophobicContact CG1-CG2 4.2Å; V955-V959 WeakPolarHBondContact O-CB 3.38Å; V955-V959 VanDerWaalsContact O-CG2 3.25Å; V955-V959 WeakPolarHBondContact O-CG2 3.47Å; V955-V959 PolarHBondContact O-N 2.98Å; V955-A990 HydrophobicContact CG2-CB 4.06Å; V955-F994 HydrophobicContact CB-CB 4.49Å; V955-F994 HydrophobicContact CG1-CB 4.12Å; V955-F994 HydrophobicContact CG2-CB 3.68Å; V955-F994 HydrophobicContact CG2-CD2 3.84Å; V955-F994 HydrophobicContact CG2-CG 3.97Å; V955-M998 HydrophobicContact CG1-CG 3.73Å; V955-M998 HydrophobicContact CG1-SD 4.12Å |
| 956 | R | 86.7 | Confident | 88 | Confident | 111 Ų | 111 | 48.8 Ų | 48.8 | 42% | 0.419 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 178.5 | -172.7 | -175.4 | 68.7 | -177 | 1.9 | 111.1 | M952 R953 F954 L958 V959 H960 | M952-R956 WeakPolarHBondContact O-CB 3.42Å; M952-R956 PolarHBondContact O-N 3.48Å; R953-R956 PolarHBondContact O-N 3.07Å; F954-R956 PolarHBondContact O-N 3.31Å; R956-L958 VanDerWaalsContact C-N 3.33Å; R956-V959 PolarHBondContact O-N 2.94Å; R956-H960 PolarHBondContact O-N 3.04Å |
| 957 | D | 85 | Confident | 87.5 | Confident | 83 Ų | 83 | 52.6 Ų | 52.6 | 44% | 0.444 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 177.4 | -65.1 | -12.2 | 0 | 0 | 0 | 110.5 | R953 F954 H960 Q961 | R953-D957 PolarHBondContact O-N 3.17Å; F954-D957 PolarHBondContact O-N 2.8Å; D957-H960 WeakPolarHBondContact O-CB 3.28Å; D957-H960 PolarHBondContact O-N 2.83Å; D957-Q961 WeakPolarHBondContact O-CG 3.45Å; D957-Q961 PolarHBondContact O-N 2.92Å |
| 958 | L | 88.1 | Confident | 86.7 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 174.6 | -176.9 | 58.4 | 0 | 0 | 0 | 112 | F954 V955 R956 H960 Q961 I962 M998 F1004 L1023 V1024 I1031 | F954-L958 HydrophobicContact CE1-CD2 4.07Å; F954-L958 HydrophobicContact CZ-CD2 4.34Å; F954-L958 VanDerWaalsContact O-CB 3.27Å; F954-L958 WeakPolarHBondContact O-CB 3.49Å; F954-L958 PolarHBondContact O-N 3.08Å; V955-L958 PolarHBondContact O-N 2.95Å; R956-L958 VanDerWaalsContact C-N 3.33Å; L958-H960 VanDerWaalsContact C-N 3.3Å; L958-H960 PolarHBondContact O-N 3.37Å; L958-Q961 PolarHBondContact O-N 2.62Å; L958-I962 HydrophobicContact CD1-CD1 4.21Å; L958-I962 HydrophobicContact CD1-CG1 4.4Å; L958-I962 HydrophobicContact CG-CD1 3.87Å; L958-I962 WeakPolarHBondContact O-CD1 3.3Å; L958-I962 WeakPolarHBondContact O-CG1 3.33Å; L958-I962 PolarHBondContact O-N 2.82Å; L958-M998 HydrophobicContact CD2-CE 4.44Å; L958-M998 HydrophobicContact CD2-SD 3.63Å; L958-M998 HydrophobicContact CG-SD 4.26Å; L958-F1004 HydrophobicContact CD2-CE1 4.44Å; L958-L1023 HydrophobicContact CD1-CD2 3.73Å; L958-V1024 HydrophobicContact CD1-CG2 3.93Å; L958-I1031 HydrophobicContact CD1-CD1 4.03Å; L958-I1031 HydrophobicContact CD2-CD1 3.92Å |
| 959 | V | 87.8 | Confident | 85.9 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.4 | -41.7 | 174.6 | 163.5 | 0 | 0 | 0 | 0 | 110.6 | V955 R956 I962 R963 M998 V1002 | V955-V959 HydrophobicContact CG1-CG2 4.2Å; V955-V959 WeakPolarHBondContact O-CB 3.38Å; V955-V959 VanDerWaalsContact O-CG2 3.25Å; V955-V959 WeakPolarHBondContact O-CG2 3.47Å; V955-V959 PolarHBondContact O-N 2.98Å; R956-V959 PolarHBondContact O-N 2.94Å; V959-I962 PolarHBondContact O-N 2.86Å; V959-R963 WeakPolarHBondContact O-CG 3.09Å; V959-R963 PolarHBondContact O-N 2.82Å; V959-M998 HydrophobicContact CG2-CG 4.05Å; V959-V1002 HydrophobicContact CG1-CG1 3.84Å; V959-V1002 HydrophobicContact CG2-CG2 4.33Å |
| 960 | H | 84.7 | Confident | 85 | Confident | 125 Ų | 125 | 55 Ų | 55 | 58% | 0.579 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.7 | -44.4 | 176.3 | -152.4 | 75.8 | 0 | 0 | 0 | 111.4 | R956 D957 L958 I962 R963 S964 | R956-H960 PolarHBondContact O-N 3.04Å; D957-H960 WeakPolarHBondContact O-CB 3.28Å; D957-H960 PolarHBondContact O-N 2.83Å; L958-H960 VanDerWaalsContact C-N 3.3Å; L958-H960 PolarHBondContact O-N 3.37Å; H960-I962 PolarHBondContact O-N 3.45Å; H960-R963 PolarHBondContact O-N 2.83Å; H960-S964 PolarHBondContact O-N 2.82Å |
| 961 | Q | 85.1 | Confident | 84.1 | Confident | 65 Ų | 65 | 51.1 Ų | 51.1 | 30% | 0.304 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.4 | -39 | 175.3 | -69.9 | -178.9 | 35.8 | 0 | 0 | 112.6 | D957 L958 S964 L965 L1023 | D957-Q961 WeakPolarHBondContact O-CG 3.45Å; D957-Q961 PolarHBondContact O-N 2.92Å; L958-Q961 PolarHBondContact O-N 2.62Å; Q961-S964 WeakPolarHBondContact O-CB 3.5Å; Q961-S964 PolarHBondContact O-N 3.07Å; Q961-L965 WeakPolarHBondContact O-CB 3.09Å; Q961-L965 PolarHBondContact O-N 3.02Å; Q961-L1023 HydrophobicContact CB-CD1 4.17Å |
| 962 | I | 87.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.4 | -42.8 | 175.8 | -67.1 | 158.5 | 0 | 0 | 0 | 110.8 | L958 V959 H960 S964 L965 R966 L977 V1002 F1004 L1023 | L958-I962 HydrophobicContact CD1-CD1 4.21Å; L958-I962 HydrophobicContact CD1-CG1 4.4Å; L958-I962 HydrophobicContact CG-CD1 3.87Å; L958-I962 WeakPolarHBondContact O-CD1 3.3Å; L958-I962 WeakPolarHBondContact O-CG1 3.33Å; L958-I962 PolarHBondContact O-N 2.82Å; V959-I962 PolarHBondContact O-N 2.86Å; H960-I962 PolarHBondContact O-N 3.45Å; I962-S964 VanDerWaalsContact C-N 3.28Å; I962-S964 PolarHBondContact O-N 3.15Å; I962-L965 PolarHBondContact O-N 3.24Å; I962-R966 HydrophobicContact CG2-CG 4.47Å; I962-R966 WeakPolarHBondContact O-CB 3.09Å; I962-R966 WeakPolarHBondContact O-CG 3.38Å; I962-R966 PolarHBondContact O-N 2.86Å; I962-L977 HydrophobicContact CG2-CD1 4.19Å; I962-V1002 HydrophobicContact CB-CG2 4.25Å; I962-V1002 HydrophobicContact CD1-CG2 4.05Å; I962-V1002 HydrophobicContact CG2-CB 3.83Å; I962-V1002 HydrophobicContact CG2-CG1 4.46Å; I962-V1002 HydrophobicContact CG2-CG2 3.78Å; I962-F1004 HydrophobicContact CD1-CB 3.85Å; I962-F1004 HydrophobicContact CD1-CD1 3.48Å; I962-F1004 VanDerWaalsContact CD1-CD1 3.48Å; I962-F1004 HydrophobicContact CD1-CD2 3.71Å; I962-F1004 HydrophobicContact CD1-CE1 3.82Å; I962-F1004 HydrophobicContact CD1-CE2 4.05Å; I962-F1004 HydrophobicContact CD1-CG 3.4Å; I962-F1004 VanDerWaalsContact CD1-CG 3.4Å; I962-F1004 HydrophobicContact CD1-CZ 4.1Å; I962-F1004 HydrophobicContact CG1-CD2 4Å; I962-F1004 HydrophobicContact CG1-CE2 4.19Å; I962-F1004 HydrophobicContact CG1-CG 4.2Å; I962-F1004 HydrophobicContact CG2-CB 4.34Å; I962-F1004 HydrophobicContact CG2-CD2 4.35Å; I962-L1023 HydrophobicContact CG1-CD2 3.88Å |
| 963 | R | 85.7 | Confident | 82.2 | Confident | 102 Ų | 102 | 59 Ų | 59 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 174.8 | -74.8 | 177.6 | 177.3 | 171.7 | 0.4 | 111.4 | V959 H960 R967 V1002 | V959-R963 WeakPolarHBondContact O-CG 3.09Å; V959-R963 PolarHBondContact O-N 2.82Å; H960-R963 PolarHBondContact O-N 2.83Å; R963-R967 PolarHBondContact O-N 3.44Å; R963-V1002 HydrophobicContact CG-CG1 3.6Å |
| 964 | S | 82.4 | Confident | 81.2 | Confident | 25 Ų | 25 | 56.6 Ų | 56.6 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.5 | -54.2 | 171 | -163.9 | 0 | 0 | 0 | 0 | 111.2 | H960 Q961 I962 R966 R967 D968 | H960-S964 PolarHBondContact O-N 2.82Å; Q961-S964 WeakPolarHBondContact O-CB 3.5Å; Q961-S964 PolarHBondContact O-N 3.07Å; I962-S964 VanDerWaalsContact C-N 3.28Å; I962-S964 PolarHBondContact O-N 3.15Å; S964-R966 VanDerWaalsContact C-N 3.29Å; S964-R966 PolarHBondContact O-N 3.48Å; S964-R967 WeakPolarHBondContact O-CA 3.16Å; S964-R967 WeakPolarHBondContact O-CB 3.39Å; S964-R967 PolarHBondContact O-N 3.15Å; S964-D968 PolarHBondContact O-N 3.18Å; S964-D968 VanDerWaalsContact O-OD2 3.09Å; S964-D968 PolarHBondContact OG-OD2 3.31Å |
| 965 | L | 82.8 | Confident | 80.5 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.3 | -44.2 | -179.1 | -178.9 | 67.3 | 0 | 0 | 0 | 111.7 | Q961 I962 R967 D968 V969 L977 L1023 V1033 F1101 | Q961-L965 WeakPolarHBondContact O-CB 3.09Å; Q961-L965 PolarHBondContact O-N 3.02Å; I962-L965 PolarHBondContact O-N 3.24Å; L965-R967 VanDerWaalsContact C-N 3.31Å; L965-R967 PolarHBondContact O-N 3.19Å; L965-D968 PolarHBondContact O-N 3.37Å; L965-D968 VanDerWaalsContact O-N 3.12Å; L965-V969 HydrophobicContact CD1-CG1 4Å; L965-V969 HydrophobicContact CG-CG2 4.47Å; L965-V969 WeakPolarHBondContact O-CG2 3.49Å; L965-V969 PolarHBondContact O-N 2.88Å; L965-L977 HydrophobicContact CD2-CD1 4.37Å; L965-L1023 HydrophobicContact CB-CD1 4.44Å; L965-L1023 HydrophobicContact CD2-CD1 4.25Å; L965-V1033 HydrophobicContact CD2-CB 4.11Å; L965-V1033 HydrophobicContact CD2-CG1 4.01Å; L965-V1033 HydrophobicContact CD2-CG2 3.95Å; L965-F1101 HydrophobicContact CD1-CE2 3.94Å |
| 966 | R | 84.1 | Confident | 80 | Confident | 18 Ų | 18 | 61.8 Ų | 61.8 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.8 | -40.9 | 176.5 | -80.3 | -175 | 170.2 | -78.8 | -3.8 | 112.9 | I962 S964 E970 V971 I975 L977 V1002 E1003 | I962-R966 HydrophobicContact CG2-CG 4.47Å; I962-R966 WeakPolarHBondContact O-CB 3.09Å; I962-R966 WeakPolarHBondContact O-CG 3.38Å; I962-R966 PolarHBondContact O-N 2.86Å; S964-R966 VanDerWaalsContact C-N 3.29Å; S964-R966 PolarHBondContact O-N 3.48Å; R966-E970 VanDerWaalsContact O-CA 3.26Å; R966-E970 WeakPolarHBondContact O-CA 3.44Å; R966-E970 PolarHBondContact O-N 3.28Å; R966-V971 PolarHBondContact NH1-O 3.4Å; R966-V971 PolarHBondContact O-N 3.4Å; R966-V971 VanDerWaalsContact O-N 3.15Å; R966-I975 PolarHBondContact NH1-O 3.24Å; R966-I975 PolarHBondContact NH2-O 2.97Å; R966-L977 HydrophobicContact CG-CD1 3.55Å; R966-L977 HydrophobicContact CG-CG 4.5Å; R966-V1002 PolarHBondContact NE-O 3.41Å; R966-V1002 PolarHBondContact NH2-O 2.84Å; R966-E1003 VanDerWaalsContact NH2-CB 3.28Å; R966-E1003 PolarHBondContact NH2-O 3.22Å |
| 967 | R | 79.2 | Confident | 79.9 | Confident | 171 Ų | 171 | 56.8 Ų | 56.8 | 65% | 0.645 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66 | -43.2 | 174.9 | -73.6 | -175.7 | -71.5 | 178.2 | 0.7 | 110.6 | R963 S964 L965 E970 | R963-R967 PolarHBondContact O-N 3.44Å; S964-R967 WeakPolarHBondContact O-CA 3.16Å; S964-R967 WeakPolarHBondContact O-CB 3.39Å; S964-R967 PolarHBondContact O-N 3.15Å; L965-R967 VanDerWaalsContact C-N 3.31Å; L965-R967 PolarHBondContact O-N 3.19Å; R967-E970 PolarHBondContact O-N 3.26Å |
| 968 | D | 73.3 | Confident | 79.9 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 12% | 0.123 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.9 | -42.4 | -178.5 | -60.8 | -38.4 | 0 | 0 | 0 | 112.3 | S964 L965 R1046 F1047 Q1050 | S964-D968 PolarHBondContact O-N 3.18Å; S964-D968 VanDerWaalsContact O-OD2 3.09Å; S964-D968 PolarHBondContact OG-OD2 3.31Å; L965-D968 PolarHBondContact O-N 3.37Å; L965-D968 VanDerWaalsContact O-N 3.12Å; D968-R1046 WeakPolarHBondContact O-CD 3.35Å; D968-R1046 PolarHBondContact O-NH1 2.92Å; D968-F1047 HydrophobicContact CB-CE1 4.23Å; D968-Q1050 PolarHBondContact OD1-NE2 3.1Å |
| 969 | V | 74.9 | Confident | 79.9 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -90.9 | -0.4 | 178.3 | -57.5 | 0 | 0 | 0 | 0 | 114.6 | L965 V971 L1035 V1043 F1047 | L965-V969 HydrophobicContact CD1-CG1 4Å; L965-V969 HydrophobicContact CG-CG2 4.47Å; L965-V969 WeakPolarHBondContact O-CG2 3.49Å; L965-V969 PolarHBondContact O-N 2.88Å; V969-V971 VanDerWaalsContact C-N 3.3Å; V969-V971 HydrophobicContact CB-CG2 4.4Å; V969-V971 HydrophobicContact CG2-CB 4.16Å; V969-V971 HydrophobicContact CG2-CG2 3.56Å; V969-V971 PolarHBondContact O-N 3.29Å; V969-L1035 HydrophobicContact CG1-CD2 4.29Å; V969-L1035 HydrophobicContact CG2-CD2 4.47Å; V969-V1043 HydrophobicContact CG1-CG1 4.28Å; V969-F1047 HydrophobicContact CG1-CZ 4.27Å |
| 970 | E | 71.9 | Confident | 79.8 | Confident | 131 Ų | 131 | 55 Ų | 55 | 61% | 0.612 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 39.3 | -176.9 | -85.1 | 177.3 | -170.6 | 0 | 0 | 115.4 | R966 R967 S972 R1046 | R966-E970 VanDerWaalsContact O-CA 3.26Å; R966-E970 WeakPolarHBondContact O-CA 3.44Å; R966-E970 PolarHBondContact O-N 3.28Å; R967-E970 PolarHBondContact O-N 3.26Å; E970-S972 PolarHBondContact O-N 3.18Å; E970-R1046 IonicContact OE1-CZ 3.89Å; E970-R1046 IonicContact OE1-NE 3.57Å; E970-R1046 IonicContact OE1-NH1 2.86Å; E970-R1046 PolarHBondContact OE1-NH1 3.42Å; E970-R1046 IonicContact OE1-NH2 3.26Å; E970-R1046 PolarHBondContact OE1-NH2 3.09Å; E970-R1046 IonicContact OE2-CZ 3.85Å; E970-R1046 VanDerWaalsContact OE2-CZ 3.24Å; E970-R1046 IonicContact OE2-NH1 2.73Å; E970-R1046 PolarHBondContact OE2-NH1 3.16Å; E970-R1046 IonicContact OE2-NH2 2.88Å; E970-R1046 PolarHBondContact OE2-NH2 3.43Å |
| 971 | V | 72.9 | Confident | 80 | Confident | 16 Ų | 16 | 49 Ų | 49 | 10% | 0.097 | 25% | 0.25 | C | S | . | . | trans | -87.1 | 100.5 | 172.9 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | R966 V969 I975 L977 V1038 | R966-V971 PolarHBondContact NH1-O 3.4Å; R966-V971 PolarHBondContact O-N 3.4Å; R966-V971 VanDerWaalsContact O-N 3.15Å; V969-V971 VanDerWaalsContact C-N 3.3Å; V969-V971 HydrophobicContact CB-CG2 4.4Å; V969-V971 HydrophobicContact CG2-CB 4.16Å; V969-V971 HydrophobicContact CG2-CG2 3.56Å; V969-V971 PolarHBondContact O-N 3.29Å; V971-I975 HydrophobicContact CG1-CB 3.69Å; V971-I975 HydrophobicContact CG1-CG2 3.77Å; V971-L977 HydrophobicContact CB-CD2 4.43Å; V971-L977 HydrophobicContact CG1-CD2 4.31Å; V971-L977 HydrophobicContact CG2-CD2 4.31Å; V971-V1038 HydrophobicContact CG2-CG2 4.13Å | ||
| 972 | S | 73.2 | Confident | 80.1 | Confident | 77 Ų | 77 | 46.7 Ų | 46.7 | 54% | 0.538 | 24% | 0.239 | S | C | . | . | trans | -65.4 | 146.1 | 176.2 | 62.6 | 0 | 0 | 0 | 0 | 111.7 | E970 I975 | E970-S972 PolarHBondContact O-N 3.18Å; S972-I975 PolarHBondContact O-N 2.54Å | ||
| 973 | M | 70.7 | Confident | 80 | Confident | 96 Ų | 96 | 46.8 Ų | 46.8 | 47% | 0.473 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 138.4 | 164.4 | -61.8 | -69.2 | -79 | 0 | 0 | 108.5 | E1003 | M973-E1003 HydrophobicContact CE-CB 3.82Å; M973-E1003 HydrophobicContact CE-CG 3.36Å; M973-E1003 HydrophobicContact SD-CB 3.8Å; M973-E1003 HydrophobicContact SD-CG 3.92Å |
| 974 | P | 68.4 | Low | 79.9 | Confident | 96 Ų | 96 | 47 Ų | 47 | 62% | 0.623 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -103 | 22.1 | 13.1 | 39.8 | -35.4 | 0 | 0 | 0 | 114.8 | P976 | P974-P976 WeakPolarHBondContact O-CD 3.44Š|
| 975 | I | 76.4 | Confident | 80.2 | Confident | 85 Ų | 85 | 48.1 Ų | 48.1 | 44% | 0.436 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -65.6 | 121.6 | -177.5 | -59.1 | 170.3 | 0 | 0 | 0 | 109.1 | R966 V971 S972 | R966-I975 PolarHBondContact NH1-O 3.24Å; R966-I975 PolarHBondContact NH2-O 2.97Å; V971-I975 HydrophobicContact CG1-CB 3.69Å; V971-I975 HydrophobicContact CG1-CG2 3.77Å; S972-I975 PolarHBondContact O-N 2.54Å |
| 976 | P | 79.5 | Confident | 80.4 | Confident | 53 Ų | 53 | 50.6 Ų | 50.6 | 34% | 0.344 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 135.2 | -174.5 | 29.3 | -33.9 | 0 | 0 | 0 | 111.6 | P974 E1003 | P974-P976 WeakPolarHBondContact O-CD 3.44Å; P976-E1003 CarbonylContact C-O 3.53Å; P976-E1003 VanDerWaalsContact CA-O 3.23Å; P976-E1003 WeakPolarHBondContact CA-O 3.29Å |
| 977 | L | 84.1 | Confident | 80.5 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 118.2 | 166.2 | -72.8 | 177.7 | 0 | 0 | 0 | 108.3 | I962 L965 R966 V971 E1003 F1004 R1005 V1033 | I962-L977 HydrophobicContact CG2-CD1 4.19Å; L965-L977 HydrophobicContact CD2-CD1 4.37Å; R966-L977 HydrophobicContact CG-CD1 3.55Å; R966-L977 HydrophobicContact CG-CG 4.5Å; V971-L977 HydrophobicContact CB-CD2 4.43Å; V971-L977 HydrophobicContact CG1-CD2 4.31Å; V971-L977 HydrophobicContact CG2-CD2 4.31Å; L977-E1003 PolarHBondContact N-O 3.45Å; L977-F1004 HydrophobicContact CB-CD2 4Å; L977-F1004 WeakPolarHBondContact O-CA 3.35Å; L977-R1005 PolarHBondContact O-N 3.13Å; L977-V1033 HydrophobicContact CB-CG1 4.14Å; L977-V1033 HydrophobicContact CD2-CG1 4.17Å |
| 978 | V | 84.8 | Confident | 81 | Confident | 44 Ų | 44 | 45.9 Ų | 45.9 | 27% | 0.267 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.5 | 180 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | R1005 Q1034 | V978-R1005 CarbonylContact C-O 3.54Å; V978-R1005 WeakPolarHBondContact CA-O 3.42Å; V978-Q1034 WeakPolarHBondContact O-CB 3.45Å; V978-Q1034 PolarHBondContact O-N 2.77Å |
| 979 | A | 87.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 154 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1004 R1005 C1006 S1007 I1031 Y1032 V1033 | A979-F1004 HydrophobicContact CB-CE1 4.44Å; A979-F1004 HydrophobicContact CB-CE2 3.53Å; A979-F1004 HydrophobicContact CB-CZ 3.41Å; A979-F1004 VanDerWaalsContact CB-CZ 3.41Å; A979-R1005 PolarHBondContact N-O 2.92Å; A979-C1006 CarbonylContact O-C 3.34Å; A979-C1006 WeakPolarHBondContact O-CA 3.38Å; A979-S1007 PolarHBondContact O-N 3.1Å; A979-S1007 PolarHBondContact O-OG 2.96Å; A979-I1031 HydrophobicContact CB-CG2 3.99Å; A979-Y1032 CarbonylContact C-O 3.35Å; A979-Y1032 WeakPolarHBondContact CA-O 3.34Å; A979-Y1032 WeakPolarHBondContact CB-O 3.31Å; A979-V1033 HydrophobicContact CB-CG2 4.13Å |
| 980 | V | 86.5 | Confident | 82.6 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130.1 | 168.9 | -175.9 | 0 | 0 | 0 | 0 | 107.7 | W982 S1007 N1009 P1017 Y1032 | V980-W982 HydrophobicContact CB-CH2 4.4Å; V980-W982 HydrophobicContact CB-CZ3 4.12Å; V980-W982 HydrophobicContact CG1-CE3 4.23Å; V980-W982 HydrophobicContact CG1-CH2 3.76Å; V980-W982 HydrophobicContact CG1-CZ2 4.27Å; V980-W982 HydrophobicContact CG1-CZ3 3.72Å; V980-S1007 WeakPolarHBondContact CA-O 3.23Å; V980-N1009 HydrophobicContact CG1-CB 3.73Å; V980-P1017 HydrophobicContact CB-CG 3.97Å; V980-P1017 HydrophobicContact CG2-CG 3.82Å; V980-Y1032 PolarHBondContact N-O 2.92Å; V980-Y1032 PolarHBondContact O-N 3.14Å |
| 981 | A | 87.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 137.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I991 C1006 S1007 L1008 N1009 R1030 I1031 | A981-I991 HydrophobicContact CB-CD1 3.92Å; A981-C1006 WeakPolarHBondContact CB-SG 3.09Å; A981-S1007 PolarHBondContact N-O 3.4Å; A981-L1008 HydrophobicContact CB-CD2 4.13Å; A981-L1008 WeakPolarHBondContact O-CA 3.4Å; A981-N1009 PolarHBondContact O-N 3.06Å; A981-R1030 CarbonylContact C-O 3.38Å; A981-R1030 WeakPolarHBondContact CA-O 3.49Å; A981-I1031 HydrophobicContact CB-CG1 3.9Å |
| 982 | W | 87.6 | Confident | 84.3 | Confident | 16 Ų | 16 | 44.6 Ų | 44.6 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 101.8 | 165.5 | -68.7 | -99.7 | 0 | 0 | 0 | 106.3 | V980 N1009 S1011 H1014 V1015 P1017 C1029 R1030 Y1032 | V980-W982 HydrophobicContact CB-CH2 4.4Å; V980-W982 HydrophobicContact CB-CZ3 4.12Å; V980-W982 HydrophobicContact CG1-CE3 4.23Å; V980-W982 HydrophobicContact CG1-CH2 3.76Å; V980-W982 HydrophobicContact CG1-CZ2 4.27Å; V980-W982 HydrophobicContact CG1-CZ3 3.72Å; W982-N1009 HydrophobicContact CD2-CB 4.36Å; W982-N1009 HydrophobicContact CZ2-CB 4.29Å; W982-N1009 WeakPolarHBondContact CZ2-ND2 3.34Å; W982-S1011 PolarHBondContact NE1-O 3.29Å; W982-S1011 PolarHBondContact NE1-OG 3.15Å; W982-H1014 AromaticContact CD1-CD2 3.47Å; W982-H1014 VanDerWaalsContact CD1-CD2 3.47Å; W982-H1014 AromaticContact CD1-NE2 3.93Å; W982-H1014 AromaticContact CG-CD2 3.53Å; W982-H1014 AromaticContact NE1-CD2 3.91Å; W982-V1015 VanDerWaalsContact CH2-O 3.32Å; W982-V1015 WeakPolarHBondContact CH2-O 3.35Å; W982-P1017 HydrophobicContact CH2-CG 4.45Å; W982-C1029 CarbonylContact O-C 3.46Å; W982-C1029 VanDerWaalsContact O-CA 3.32Å; W982-C1029 WeakPolarHBondContact O-CA 3.46Å; W982-R1030 PolarHBondContact N-O 3.38Å; W982-R1030 PolarHBondContact O-N 2.99Å; W982-Y1032 AromaticContact CE3-CD2 3.86Å; W982-Y1032 HydrophobicContact CE3-CD2 3.86Å; W982-Y1032 HydrophobicContact CE3-CE2 4.14Å; W982-Y1032 HydrophobicContact CH2-CD2 4.5Å; W982-Y1032 AromaticContact CZ3-CD2 3.44Å; W982-Y1032 HydrophobicContact CZ3-CD2 3.44Å; W982-Y1032 VanDerWaalsContact CZ3-CD2 3.44Å; W982-Y1032 AromaticContact CZ3-CE2 3.92Å; W982-Y1032 HydrophobicContact CZ3-CE2 3.92Å; W982-Y1032 HydrophobicContact CZ3-CG 4.29Å |
| 983 | C | 85.8 | Confident | 85.1 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.9 | -175.9 | -56.5 | 0 | 0 | 0 | 0 | 110.3 | Q987 R988 I991 E1028 C1029 | C983-Q987 HydrophobicContact CB-CB 4.1Å; C983-R988 HydrophobicContact CB-CB 4.47Å; C983-R988 WeakPolarHBondContact O-CB 3.01Å; C983-I991 HydrophobicContact CB-CD1 4.42Å; C983-E1028 CarbonylContact C-O 3.41Å; C983-E1028 VanDerWaalsContact CA-O 3.26Å; C983-E1028 WeakPolarHBondContact CA-O 3.21Å; C983-C1029 HydrophobicContact CB-CB 3.73Å; C983-C1029 WeakPolarHBondContact CB-SG 3.32Å; C983-C1029 VanDerWaalsContact SG-CA 3.53Å; C983-C1029 WeakPolarHBondContact SG-CB 3.15Å; C983-C1029 CovalentContact SG-SG 2.06Å; C983-C1029 PolarHBondContact SG-SG 3.35Å |
| 984 | N | 84.2 | Confident | 86.1 | Confident | 108 Ų | 108 | 39.3 Ų | 39.3 | 58% | 0.578 | 22% | 0.223 | S | C | * | . | trans | -113.8 | 172.6 | 174.4 | -65.2 | -15.2 | 0 | 0 | 0 | 110.1 | Q987 R988 E1028 | N984-Q987 PolarHBondContact O-N 3.1Å; N984-Q987 PolarHBondContact O-OE1 3.29Å; N984-Q987 VanDerWaalsContact O-OE1 3.12Å; N984-R988 PolarHBondContact O-N 3.49Å; N984-E1028 PolarHBondContact N-O 3.15Å | ||
| 985 | G | 87.6 | Confident | 87.1 | Confident | 48 Ų | 48 | 35.9 Ų | 35.9 | 50% | 0.495 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | 55.2 | -136.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q987 R988 S989 | G985-Q987 VanDerWaalsContact C-N 3.31Å; G985-Q987 PolarHBondContact O-N 3.48Å; G985-R988 PolarHBondContact O-N 3.44Å; G985-S989 PolarHBondContact O-N 2.83Å; G985-S989 PolarHBondContact O-OG 2.78Å |
| 986 | I | 86.8 | Confident | 87.5 | Confident | 53 Ų | 53 | 41.5 Ų | 41.5 | 27% | 0.272 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.7 | -37.6 | -174.9 | -69.3 | 149.7 | 0 | 0 | 0 | 111.6 | M950 Q951 S989 A990 | M950-I986 HydrophobicContact CG-CG2 4.22Å; M950-I986 HydrophobicContact SD-CD1 3.48Å; M950-I986 WeakPolarHBondContact SD-CD1 3.48Å; M950-I986 HydrophobicContact SD-CG1 4.43Å; M950-I986 HydrophobicContact SD-CG2 4.45Å; Q951-I986 HydrophobicContact CG-CG2 3.89Å; I986-S989 PolarHBondContact O-N 2.84Å; I986-A990 VanDerWaalsContact O-CB 3.26Å; I986-A990 WeakPolarHBondContact O-CB 3.26Å; I986-A990 PolarHBondContact O-N 3.36Å |
| 987 | Q | 87.9 | Confident | 88 | Confident | 28 Ų | 28 | 39 Ų | 39 | 13% | 0.131 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.6 | -37.4 | -178.5 | -60.4 | 84.8 | -17.9 | 0 | 0 | 111.1 | F954 C983 N984 G985 I991 C1029 | F954-Q987 HydrophobicContact CD2-CG 3.98Å; F954-Q987 HydrophobicContact CE1-CB 4.1Å; F954-Q987 HydrophobicContact CE1-CG 4.38Å; F954-Q987 HydrophobicContact CE2-CB 4.29Å; F954-Q987 HydrophobicContact CE2-CG 3.77Å; F954-Q987 HydrophobicContact CG-CG 4.37Å; F954-Q987 HydrophobicContact CZ-CB 3.98Å; F954-Q987 HydrophobicContact CZ-CG 3.98Å; C983-Q987 HydrophobicContact CB-CB 4.1Å; N984-Q987 PolarHBondContact O-N 3.1Å; N984-Q987 PolarHBondContact O-OE1 3.29Å; N984-Q987 VanDerWaalsContact O-OE1 3.12Å; G985-Q987 VanDerWaalsContact C-N 3.31Å; G985-Q987 PolarHBondContact O-N 3.48Å; Q987-I991 WeakPolarHBondContact O-CG1 3.41Å; Q987-I991 PolarHBondContact O-N 2.92Å; Q987-I991 VanDerWaalsContact O-N 3.15Å; Q987-C1029 HydrophobicContact CB-CB 3.83Å; Q987-C1029 HydrophobicContact CG-CB 3.86Å |
| 988 | R | 89.8 | Confident | 88.3 | Confident | 62 Ų | 62 | 38.8 Ų | 38.8 | 23% | 0.234 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -55 | 173 | -171 | -174.2 | -179 | 103.8 | -6.8 | 110.7 | C983 N984 G985 A990 I991 E992 L1008 D1010 | C983-R988 HydrophobicContact CB-CB 4.47Å; C983-R988 WeakPolarHBondContact O-CB 3.01Å; N984-R988 PolarHBondContact O-N 3.49Å; G985-R988 PolarHBondContact O-N 3.44Å; R988-A990 PolarHBondContact O-N 3.34Å; R988-I991 PolarHBondContact O-N 3.5Å; R988-E992 IonicContact CZ-OE1 3.86Å; R988-E992 IonicContact NE-OE1 3.65Å; R988-E992 PolarHBondContact NE-OE1 3.44Å; R988-E992 IonicContact NH2-OE1 2.82Å; R988-E992 WeakPolarHBondContact O-CG 3.33Å; R988-E992 PolarHBondContact O-N 3.19Å; R988-L1008 HydrophobicContact CG-CD1 4.06Å; R988-L1008 HydrophobicContact CG-CD2 4.34Å; R988-D1010 IonicContact CZ-OD1 3.4Å; R988-D1010 IonicContact NH1-OD1 2.93Å; R988-D1010 PolarHBondContact NH1-OD1 3.46Å; R988-D1010 IonicContact NH2-OD1 2.86Å; R988-D1010 PolarHBondContact NH2-OD1 3.08Å; R988-D1010 VanDerWaalsContact NH2-OD1 3.08Å; R988-D1010 IonicContact NH2-OD2 3.72Å |
| 989 | S | 89.6 | Confident | 88.4 | Confident | 37 Ų | 37 | 39.8 Ų | 39.8 | 26% | 0.259 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.6 | -35.8 | 179.9 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | Q951 G985 I986 E992 N993 | Q951-S989 PolarHBondContact OE1-O 3.02Å; G985-S989 PolarHBondContact O-N 2.83Å; G985-S989 PolarHBondContact O-OG 2.78Å; I986-S989 PolarHBondContact O-N 2.84Å; S989-E992 PolarHBondContact O-N 3.03Å; S989-N993 VanDerWaalsContact O-CB 3.27Å; S989-N993 WeakPolarHBondContact O-CB 3.23Å; S989-N993 PolarHBondContact O-N 2.85Å; S989-N993 PolarHBondContact O-ND2 3.33Å |
| 990 | A | 90.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q951 F954 V955 I986 R988 F994 | Q951-A990 HydrophobicContact CB-CB 3.67Å; Q951-A990 HydrophobicContact CG-CB 3.92Å; F954-A990 HydrophobicContact CD1-CB 3.75Å; F954-A990 HydrophobicContact CE1-CB 4.41Å; V955-A990 HydrophobicContact CG2-CB 4.06Å; I986-A990 VanDerWaalsContact O-CB 3.26Å; I986-A990 WeakPolarHBondContact O-CB 3.26Å; I986-A990 PolarHBondContact O-N 3.36Å; R988-A990 PolarHBondContact O-N 3.34Å; A990-F994 WeakPolarHBondContact O-CB 3.47Å; A990-F994 WeakPolarHBondContact O-CD2 3.27Å; A990-F994 PolarHBondContact O-N 3Å |
| 991 | I | 89.9 | Confident | 88.2 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.3 | -40.4 | 177.2 | -66.5 | 169.6 | 0 | 0 | 0 | 110.8 | F954 A981 C983 Q987 R988 G995 M998 C1006 L1008 I1031 | F954-I991 HydrophobicContact CE1-CG1 4.25Å; A981-I991 HydrophobicContact CB-CD1 3.92Å; C983-I991 HydrophobicContact CB-CD1 4.42Å; Q987-I991 WeakPolarHBondContact O-CG1 3.41Å; Q987-I991 PolarHBondContact O-N 2.92Å; Q987-I991 VanDerWaalsContact O-N 3.15Å; R988-I991 PolarHBondContact O-N 3.5Å; I991-G995 VanDerWaalsContact O-CA 3.23Å; I991-G995 WeakPolarHBondContact O-CA 3.25Å; I991-G995 PolarHBondContact O-N 2.82Å; I991-M998 HydrophobicContact CG1-CE 4.47Å; I991-C1006 HydrophobicContact CG2-CB 4.04Å; I991-L1008 HydrophobicContact CB-CD2 4.38Å; I991-L1008 HydrophobicContact CD1-CD2 4.2Å; I991-L1008 HydrophobicContact CG2-CD1 4.48Å; I991-L1008 HydrophobicContact CG2-CD2 4.12Å; I991-L1008 HydrophobicContact CG2-CG 4.27Å; I991-I1031 HydrophobicContact CD1-CD1 4.05Å |
| 992 | E | 90 | Very high | 88.2 | Confident | 104 Ų | 104 | 45.6 Ų | 45.6 | 49% | 0.486 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.2 | -49.3 | 178.3 | -67.6 | 173 | 162 | 0 | 0 | 111.4 | R988 S989 L1008 | R988-E992 IonicContact CZ-OE1 3.86Å; R988-E992 IonicContact NE-OE1 3.65Å; R988-E992 PolarHBondContact NE-OE1 3.44Å; R988-E992 IonicContact NH2-OE1 2.82Å; R988-E992 WeakPolarHBondContact O-CG 3.33Å; R988-E992 PolarHBondContact O-N 3.19Å; S989-E992 PolarHBondContact O-N 3.03Å; E992-L1008 HydrophobicContact CG-CD1 3.38Å; E992-L1008 WeakPolarHBondContact OE1-CD1 3.19Å |
| 993 | N | 90.3 | Very high | 88.2 | Confident | 63 Ų | 63 | 46.5 Ų | 46.5 | 34% | 0.337 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -72.1 | -39.2 | -176.7 | -74.2 | -23.5 | 0 | 0 | 0 | 113.4 | P827 Q951 S989 | P827-N993 HydrophobicContact CB-CB 3.92Å; P827-N993 HydrophobicContact CG-CB 4.13Å; Q951-N993 PolarHBondContact OE1-ND2 2.76Å; S989-N993 VanDerWaalsContact O-CB 3.27Å; S989-N993 WeakPolarHBondContact O-CB 3.23Å; S989-N993 PolarHBondContact O-N 2.85Å; S989-N993 PolarHBondContact O-ND2 3.33Å |
| 994 | F | 92.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -110 | 10 | -172.6 | -59.2 | -78.7 | 0 | 0 | 0 | 113.8 | V828 W831 L948 Q951 M952 V955 A990 R996 L997 M998 | V828-F994 HydrophobicContact CG2-CD1 3.98Å; V828-F994 HydrophobicContact CG2-CE1 4.14Å; W831-F994 HydrophobicContact CB-CE1 4.24Å; W831-F994 HydrophobicContact CB-CZ 4.15Å; L948-F994 HydrophobicContact CD2-CE2 4.27Å; L948-F994 HydrophobicContact CD2-CZ 4.11Å; Q951-F994 HydrophobicContact CB-CD2 4.33Å; Q951-F994 HydrophobicContact CB-CE2 3.77Å; M952-F994 HydrophobicContact CB-CE2 4.39Å; M952-F994 HydrophobicContact CB-CZ 4.17Å; M952-F994 HydrophobicContact SD-CD1 3.77Å; M952-F994 HydrophobicContact SD-CD2 4.48Å; M952-F994 HydrophobicContact SD-CE1 3.86Å; M952-F994 HydrophobicContact SD-CG 4.1Å; M952-F994 HydrophobicContact SD-CZ 4.27Å; V955-F994 HydrophobicContact CB-CB 4.49Å; V955-F994 HydrophobicContact CG1-CB 4.12Å; V955-F994 HydrophobicContact CG2-CB 3.68Å; V955-F994 HydrophobicContact CG2-CD2 3.84Å; V955-F994 HydrophobicContact CG2-CG 3.97Å; A990-F994 WeakPolarHBondContact O-CB 3.47Å; A990-F994 WeakPolarHBondContact O-CD2 3.27Å; A990-F994 PolarHBondContact O-N 3Å; F994-R996 VanDerWaalsContact C-N 3.32Å; F994-R996 PolarHBondContact O-N 2.92Å; F994-L997 HydrophobicContact CB-CB 4.38Å; F994-L997 HydrophobicContact CD1-CD2 3.83Å; F994-L997 WeakPolarHBondContact O-CB 3.49Å; F994-L997 PolarHBondContact O-N 2.97Å; F994-M998 PolarHBondContact O-N 2.99Å |
| 995 | G | 88.9 | Confident | 88.5 | Confident | 24 Ų | 24 | 47.4 Ų | 47.4 | 25% | 0.247 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.1 | -43.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I991 M998 Q999 | I991-G995 VanDerWaalsContact O-CA 3.23Å; I991-G995 WeakPolarHBondContact O-CA 3.25Å; I991-G995 PolarHBondContact O-N 2.82Å; G995-M998 PolarHBondContact O-N 3.39Å; G995-Q999 WeakPolarHBondContact O-CB 3.46Å; G995-Q999 PolarHBondContact O-N 3.29Å |
| 996 | R | 85.7 | Confident | 88.5 | Confident | 202 Ų | 202 | 46.6 Ų | 46.6 | 76% | 0.762 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -66.3 | -37.8 | 176.2 | -63.3 | -174.9 | -166.3 | 175.6 | 6.1 | 112.3 | W874 F994 Q999 R1000 | W874-R996 HydrophobicContact CH2-CB 4.13Å; W874-R996 HydrophobicContact CZ3-CB 4.24Å; F994-R996 VanDerWaalsContact C-N 3.32Å; F994-R996 PolarHBondContact O-N 2.92Å; R996-Q999 PolarHBondContact O-N 3.31Å; R996-R1000 PolarHBondContact O-N 3.03Å |
| 997 | L | 89.5 | Confident | 88.5 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -48.2 | 176.8 | 178.6 | 66.1 | 0 | 0 | 0 | 110.9 | V828 I870 W874 M952 F994 Q999 R1000 L1001 | V828-L997 HydrophobicContact CG1-CD2 4.45Å; V828-L997 HydrophobicContact CG2-CB 4.29Å; V828-L997 HydrophobicContact CG2-CD2 4.22Å; I870-L997 HydrophobicContact CG2-CD1 4.38Å; I870-L997 HydrophobicContact CG2-CD2 4.07Å; W874-L997 HydrophobicContact CB-CD1 3.8Å; W874-L997 HydrophobicContact CD2-CD1 4.01Å; W874-L997 HydrophobicContact CE3-CB 4.34Å; W874-L997 HydrophobicContact CE3-CD1 3.68Å; W874-L997 HydrophobicContact CG-CD1 4.09Å; W874-L997 HydrophobicContact CZ3-CB 4.44Å; M952-L997 HydrophobicContact CE-CD2 3.57Å; M952-L997 HydrophobicContact SD-CD2 3.94Å; F994-L997 HydrophobicContact CB-CB 4.38Å; F994-L997 HydrophobicContact CD1-CD2 3.83Å; F994-L997 WeakPolarHBondContact O-CB 3.49Å; F994-L997 PolarHBondContact O-N 2.97Å; L997-Q999 VanDerWaalsContact C-N 3.33Å; L997-Q999 PolarHBondContact O-N 3.12Å; L997-R1000 PolarHBondContact O-N 2.86Å; L997-L1001 HydrophobicContact CD1-CD1 3.88Å; L997-L1001 HydrophobicContact CD1-CG 4.01Å; L997-L1001 HydrophobicContact CD2-CD1 4.43Å; L997-L1001 HydrophobicContact CG-CD1 3.86Å; L997-L1001 HydrophobicContact CG-CG 4.3Å; L997-L1001 WeakPolarHBondContact O-CG 3.47Å; L997-L1001 PolarHBondContact O-N 3.02Å |
| 998 | M | 90 | Very high | 88.3 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -40.8 | 176.3 | -69.6 | -172.1 | -75.3 | 0 | 0 | 112.3 | V955 L958 V959 I991 F994 G995 R1000 L1001 V1002 E1003 F1004 | V955-M998 HydrophobicContact CG1-CG 3.73Å; V955-M998 HydrophobicContact CG1-SD 4.12Å; L958-M998 HydrophobicContact CD2-CE 4.44Å; L958-M998 HydrophobicContact CD2-SD 3.63Å; L958-M998 HydrophobicContact CG-SD 4.26Å; V959-M998 HydrophobicContact CG2-CG 4.05Å; I991-M998 HydrophobicContact CG1-CE 4.47Å; F994-M998 PolarHBondContact O-N 2.99Å; G995-M998 PolarHBondContact O-N 3.39Å; M998-R1000 PolarHBondContact O-N 3.39Å; M998-L1001 PolarHBondContact O-N 3.08Å; M998-V1002 WeakPolarHBondContact O-CG2 3.14Å; M998-V1002 PolarHBondContact O-N 3.25Å; M998-E1003 PolarHBondContact O-N 3.02Å; M998-F1004 HydrophobicContact CB-CD1 4.38Å; M998-F1004 HydrophobicContact SD-CD1 4.24Å |
| 999 | Q | 87.6 | Confident | 87.9 | Confident | 66 Ų | 66 | 47.7 Ų | 47.7 | 31% | 0.308 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.3 | -37.4 | 172.9 | -173.7 | -179.2 | -16.6 | 0 | 0 | 111.1 | G995 R996 L997 E1003 F1004 R1005 | G995-Q999 WeakPolarHBondContact O-CB 3.46Å; G995-Q999 PolarHBondContact O-N 3.29Å; R996-Q999 PolarHBondContact O-N 3.31Å; L997-Q999 VanDerWaalsContact C-N 3.33Å; L997-Q999 PolarHBondContact O-N 3.12Å; Q999-E1003 WeakPolarHBondContact O-CA 3.44Å; Q999-E1003 PolarHBondContact O-N 3.1Å; Q999-F1004 VanDerWaalsContact CA-O 3.25Å; Q999-F1004 WeakPolarHBondContact CA-O 3.36Å; Q999-F1004 PolarHBondContact N-O 3.19Å; Q999-R1005 HydrophobicContact CG-CG 4.12Å |
| 1000 | R | 82.6 | Confident | 87.3 | Confident | 113 Ų | 113 | 51.8 Ų | 51.8 | 43% | 0.426 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -77.6 | -46.7 | 179.8 | -173.4 | 56.8 | 179.6 | 175.9 | 1.2 | 113.5 | R996 L997 M998 V1002 | R996-R1000 PolarHBondContact O-N 3.03Å; L997-R1000 PolarHBondContact O-N 2.86Å; M998-R1000 PolarHBondContact O-N 3.39Å; R1000-V1002 VanDerWaalsContact C-N 3.34Å; R1000-V1002 PolarHBondContact O-N 3.31Å |
| 1001 | L | 87.1 | Confident | 86.4 | Confident | 22 Ų | 22 | 54 Ų | 54 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.5 | -33 | -175.1 | -67.7 | 178.8 | 0 | 0 | 0 | 112.5 | I870 E873 L997 M998 | I870-L1001 HydrophobicContact CG2-CD1 4.36Å; E873-L1001 HydrophobicContact CB-CD2 3.71Å; E873-L1001 HydrophobicContact CG-CD2 4.49Å; L997-L1001 HydrophobicContact CD1-CD1 3.88Å; L997-L1001 HydrophobicContact CD1-CG 4.01Å; L997-L1001 HydrophobicContact CD2-CD1 4.43Å; L997-L1001 HydrophobicContact CG-CD1 3.86Å; L997-L1001 HydrophobicContact CG-CG 4.3Å; L997-L1001 WeakPolarHBondContact O-CG 3.47Å; L997-L1001 PolarHBondContact O-N 3.02Å; M998-L1001 PolarHBondContact O-N 3.08Å |
| 1002 | V | 88.2 | Confident | 84.9 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -142.7 | 13.8 | -171.5 | -67 | 0 | 0 | 0 | 0 | 114.5 | V959 I962 R963 R966 M998 R1000 F1004 | V959-V1002 HydrophobicContact CG1-CG1 3.84Å; V959-V1002 HydrophobicContact CG2-CG2 4.33Å; I962-V1002 HydrophobicContact CB-CG2 4.25Å; I962-V1002 HydrophobicContact CD1-CG2 4.05Å; I962-V1002 HydrophobicContact CG2-CB 3.83Å; I962-V1002 HydrophobicContact CG2-CG1 4.46Å; I962-V1002 HydrophobicContact CG2-CG2 3.78Å; R963-V1002 HydrophobicContact CG-CG1 3.6Å; R966-V1002 PolarHBondContact NE-O 3.41Å; R966-V1002 PolarHBondContact NH2-O 2.84Å; M998-V1002 WeakPolarHBondContact O-CG2 3.14Å; M998-V1002 PolarHBondContact O-N 3.25Å; R1000-V1002 VanDerWaalsContact C-N 3.34Å; R1000-V1002 PolarHBondContact O-N 3.31Å; V1002-F1004 HydrophobicContact CG2-CB 3.78Å; V1002-F1004 PolarHBondContact O-N 3.29Å |
| 1003 | E | 87.1 | Confident | 83.6 | Confident | 34 Ų | 34 | 60.6 Ų | 60.6 | 16% | 0.159 | 31% | 0.313 | C | S | . | . | trans | 47.8 | 47.1 | -178.7 | -73.2 | -72 | 172 | 0 | 0 | 111.8 | R966 M973 P976 L977 M998 Q999 | R966-E1003 VanDerWaalsContact NH2-CB 3.28Å; R966-E1003 PolarHBondContact NH2-O 3.22Å; M973-E1003 HydrophobicContact CE-CB 3.82Å; M973-E1003 HydrophobicContact CE-CG 3.36Å; M973-E1003 HydrophobicContact SD-CB 3.8Å; M973-E1003 HydrophobicContact SD-CG 3.92Å; P976-E1003 CarbonylContact C-O 3.53Å; P976-E1003 VanDerWaalsContact CA-O 3.23Å; P976-E1003 WeakPolarHBondContact CA-O 3.29Å; L977-E1003 PolarHBondContact N-O 3.45Å; M998-E1003 PolarHBondContact O-N 3.02Å; Q999-E1003 WeakPolarHBondContact O-CA 3.44Å; Q999-E1003 PolarHBondContact O-N 3.1Å | ||
| 1004 | F | 89.1 | Confident | 82.4 | Confident | 3 Ų | 3 | 62 Ų | 62 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.7 | 179.3 | -177.7 | -108.1 | 0 | 0 | 0 | 110.5 | L958 I962 L977 A979 M998 Q999 V1002 C1006 I1031 V1033 | L958-F1004 HydrophobicContact CD2-CE1 4.44Å; I962-F1004 HydrophobicContact CD1-CB 3.85Å; I962-F1004 HydrophobicContact CD1-CD1 3.48Å; I962-F1004 VanDerWaalsContact CD1-CD1 3.48Å; I962-F1004 HydrophobicContact CD1-CD2 3.71Å; I962-F1004 HydrophobicContact CD1-CE1 3.82Å; I962-F1004 HydrophobicContact CD1-CE2 4.05Å; I962-F1004 HydrophobicContact CD1-CG 3.4Å; I962-F1004 VanDerWaalsContact CD1-CG 3.4Å; I962-F1004 HydrophobicContact CD1-CZ 4.1Å; I962-F1004 HydrophobicContact CG1-CD2 4Å; I962-F1004 HydrophobicContact CG1-CE2 4.19Å; I962-F1004 HydrophobicContact CG1-CG 4.2Å; I962-F1004 HydrophobicContact CG2-CB 4.34Å; I962-F1004 HydrophobicContact CG2-CD2 4.35Å; L977-F1004 HydrophobicContact CB-CD2 4Å; L977-F1004 WeakPolarHBondContact O-CA 3.35Å; A979-F1004 HydrophobicContact CB-CE1 4.44Å; A979-F1004 HydrophobicContact CB-CE2 3.53Å; A979-F1004 HydrophobicContact CB-CZ 3.41Å; A979-F1004 VanDerWaalsContact CB-CZ 3.41Å; M998-F1004 HydrophobicContact CB-CD1 4.38Å; M998-F1004 HydrophobicContact SD-CD1 4.24Å; Q999-F1004 VanDerWaalsContact CA-O 3.25Å; Q999-F1004 WeakPolarHBondContact CA-O 3.36Å; Q999-F1004 PolarHBondContact N-O 3.19Å; V1002-F1004 HydrophobicContact CG2-CB 3.78Å; V1002-F1004 PolarHBondContact O-N 3.29Å; F1004-C1006 HydrophobicContact CD1-CB 4.36Å; F1004-C1006 HydrophobicContact CE1-CB 3.71Å; F1004-C1006 HydrophobicContact CZ-CB 4.25Å; F1004-I1031 HydrophobicContact CZ-CG2 4.1Å; F1004-V1033 HydrophobicContact CE2-CG2 4.02Å |
| 1005 | R | 87 | Confident | 81.2 | Confident | 125 Ų | 125 | 66.6 Ų | 66.6 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 120.9 | 177.1 | -63.6 | -174.9 | -171.4 | -175.5 | 2.8 | 109.1 | L977 V978 A979 Q999 | L977-R1005 PolarHBondContact O-N 3.13Å; V978-R1005 CarbonylContact C-O 3.54Å; V978-R1005 WeakPolarHBondContact CA-O 3.42Å; A979-R1005 PolarHBondContact N-O 2.92Å; Q999-R1005 HydrophobicContact CG-CG 4.12Å |
| 1006 | C | 87.9 | Confident | 80.1 | Confident | 32 Ų | 32 | 68.4 Ų | 68.4 | 22% | 0.216 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.7 | -178.9 | -164.2 | 0 | 0 | 0 | 0 | 110 | A979 A981 I991 F1004 | A979-C1006 CarbonylContact O-C 3.34Å; A979-C1006 WeakPolarHBondContact O-CA 3.38Å; A981-C1006 WeakPolarHBondContact CB-SG 3.09Å; I991-C1006 HydrophobicContact CG2-CB 4.04Å; F1004-C1006 HydrophobicContact CD1-CB 4.36Å; F1004-C1006 HydrophobicContact CE1-CB 3.71Å; F1004-C1006 HydrophobicContact CZ-CB 4.25Å |
| 1007 | S | 85.9 | Confident | 79.2 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 43% | 0.427 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129.4 | 171.3 | 58.7 | 0 | 0 | 0 | 0 | 109.9 | A979 V980 A981 | A979-S1007 PolarHBondContact O-N 3.1Å; A979-S1007 PolarHBondContact O-OG 2.96Å; V980-S1007 WeakPolarHBondContact CA-O 3.23Å; A981-S1007 PolarHBondContact N-O 3.4Å |
| 1008 | L | 84.9 | Confident | 77.9 | Confident | 48 Ų | 48 | 64 Ų | 64 | 25% | 0.251 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 138.6 | 175 | -66.1 | 165.3 | 0 | 0 | 0 | 110.3 | A981 R988 I991 E992 | A981-L1008 HydrophobicContact CB-CD2 4.13Å; A981-L1008 WeakPolarHBondContact O-CA 3.4Å; R988-L1008 HydrophobicContact CG-CD1 4.06Å; R988-L1008 HydrophobicContact CG-CD2 4.34Å; I991-L1008 HydrophobicContact CB-CD2 4.38Å; I991-L1008 HydrophobicContact CD1-CD2 4.2Å; I991-L1008 HydrophobicContact CG2-CD1 4.48Å; I991-L1008 HydrophobicContact CG2-CD2 4.12Å; I991-L1008 HydrophobicContact CG2-CG 4.27Å; E992-L1008 HydrophobicContact CG-CD1 3.38Å; E992-L1008 WeakPolarHBondContact OE1-CD1 3.19Å |
| 1009 | N | 81 | Confident | 76.8 | Confident | 57 Ų | 57 | 66.6 Ų | 66.6 | 31% | 0.305 | 36% | 0.355 | S | S | . | . | trans | -125.2 | 123.4 | 179.1 | -173.9 | -1 | 0 | 0 | 0 | 109.9 | V980 A981 W982 S1011 | V980-N1009 HydrophobicContact CG1-CB 3.73Å; A981-N1009 PolarHBondContact O-N 3.06Å; W982-N1009 HydrophobicContact CD2-CB 4.36Å; W982-N1009 HydrophobicContact CZ2-CB 4.29Å; W982-N1009 WeakPolarHBondContact CZ2-ND2 3.34Å; N1009-S1011 PolarHBondContact ND2-OG 3.47Å; N1009-S1011 VanDerWaalsContact ND2-OG 3.07Å; N1009-S1011 WeakPolarHBondContact OD1-CB 3.45Å; N1009-S1011 PolarHBondContact OD1-N 2.9Å; N1009-S1011 VanDerWaalsContact OD1-N 3.14Å; N1009-S1011 PolarHBondContact OD1-OG 2.91Å | ||
| 1010 | D | 78.1 | Confident | 76.1 | Confident | 122 Ų | 122 | 63.9 Ų | 63.9 | 65% | 0.652 | 34% | 0.344 | S | S | * | . | trans | -95.8 | 5.3 | -175.4 | -59.3 | -37.2 | 0 | 0 | 0 | 113.2 | R988 | R988-D1010 IonicContact CZ-OD1 3.4Å; R988-D1010 IonicContact NH1-OD1 2.93Å; R988-D1010 PolarHBondContact NH1-OD1 3.46Å; R988-D1010 IonicContact NH2-OD1 2.86Å; R988-D1010 PolarHBondContact NH2-OD1 3.08Å; R988-D1010 VanDerWaalsContact NH2-OD1 3.08Å; R988-D1010 IonicContact NH2-OD2 3.72Å | ||
| 1011 | S | 70.4 | Confident | 75.9 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 34% | 0.336 | 32% | 0.324 | S | S | . | . | trans | -66.8 | 134 | 179.2 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | W982 N1009 E1013 | W982-S1011 PolarHBondContact NE1-O 3.29Å; W982-S1011 PolarHBondContact NE1-OG 3.15Å; N1009-S1011 PolarHBondContact ND2-OG 3.47Å; N1009-S1011 VanDerWaalsContact ND2-OG 3.07Å; N1009-S1011 WeakPolarHBondContact OD1-CB 3.45Å; N1009-S1011 PolarHBondContact OD1-N 2.9Å; N1009-S1011 VanDerWaalsContact OD1-N 3.14Å; N1009-S1011 PolarHBondContact OD1-OG 2.91Å; S1011-E1013 PolarHBondContact O-N 3.06Å | ||
| 1012 | A | 58.9 | Low | 75.6 | Confident | 100 Ų | 100 | 59.1 Ų | 59.1 | 83% | 0.826 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -63.3 | -26.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H1014 | A1012-H1014 PolarHBondContact O-N 3.5Š|
| 1013 | E | 62.2 | Low | 75.3 | Confident | 149 Ų | 149 | 59.5 Ų | 59.5 | 70% | 0.696 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -86.1 | 108.5 | 175.3 | -70.3 | -171.9 | 167 | 0 | 0 | 111.3 | S1011 V1015 | S1011-E1013 PolarHBondContact O-N 3.06Å; E1013-V1015 HydrophobicContact CB-CG2 4.16Å; E1013-V1015 PolarHBondContact O-N 2.93Å |
| 1014 | H | 66.2 | Low | 74.8 | Confident | 93 Ų | 93 | 58.3 Ų | 58.3 | 43% | 0.431 | 32% | 0.323 | S | S | . | . | trans | -75.9 | 66.5 | 175.1 | -61.6 | 114.6 | 0 | 0 | 0 | 112 | W982 A1012 P1016 | W982-H1014 AromaticContact CD1-CD2 3.47Å; W982-H1014 VanDerWaalsContact CD1-CD2 3.47Å; W982-H1014 AromaticContact CD1-NE2 3.93Å; W982-H1014 AromaticContact CG-CD2 3.53Å; W982-H1014 AromaticContact NE1-CD2 3.91Å; A1012-H1014 PolarHBondContact O-N 3.5Å; H1014-P1016 WeakPolarHBondContact O-CD 3.35Å | ||
| 1015 | V | 66.8 | Low | 74 | Confident | 95 Ų | 95 | 61.2 Ų | 61.2 | 58% | 0.576 | 34% | 0.344 | S | S | * | . | trans | -85.3 | 114.5 | 176.2 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | W982 E1013 | W982-V1015 VanDerWaalsContact CH2-O 3.32Å; W982-V1015 WeakPolarHBondContact CH2-O 3.35Å; E1013-V1015 HydrophobicContact CB-CG2 4.16Å; E1013-V1015 PolarHBondContact O-N 2.93Å | ||
| 1016 | P | 66.8 | Low | 73.4 | Confident | 62 Ų | 62 | 60.1 Ų | 60.1 | 40% | 0.403 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 135.5 | 176.9 | -14 | 22.4 | 0 | 0 | 0 | 110.4 | H1014 E1018 Y1032 | H1014-P1016 WeakPolarHBondContact O-CD 3.35Å; P1016-E1018 PolarHBondContact O-N 2.64Å; P1016-Y1032 HydrophobicContact CB-CD1 3.98Å; P1016-Y1032 HydrophobicContact CB-CE1 3.67Å; P1016-Y1032 HydrophobicContact CG-CE1 4.11Å |
| 1017 | P | 66.3 | Low | 72.6 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 7% | 0.065 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 142 | 171 | -16.6 | 27.9 | 0 | 0 | 0 | 110.2 | V980 W982 S1020 Q1034 | V980-P1017 HydrophobicContact CB-CG 3.97Å; V980-P1017 HydrophobicContact CG2-CG 3.82Å; W982-P1017 HydrophobicContact CH2-CG 4.45Å; P1017-S1020 WeakPolarHBondContact CD-OG 3.36Å; P1017-S1020 VanDerWaalsContact O-CB 3.25Å; P1017-S1020 WeakPolarHBondContact O-CB 3.08Å; P1017-S1020 PolarHBondContact O-N 3.06Å; P1017-S1020 PolarHBondContact O-OG 3.39Å; P1017-Q1034 HydrophobicContact CB-CG 3.94Å; P1017-Q1034 HydrophobicContact CG-CG 4.48Å |
| 1018 | E | 62.1 | Low | 72.2 | Confident | 100 Ų | 100 | 70.3 Ų | 70.3 | 47% | 0.467 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 143.3 | 175.1 | -76.2 | 175.2 | 141.9 | 0 | 0 | 110.7 | P1016 S1020 R1442 | P1016-E1018 PolarHBondContact O-N 2.64Å; E1018-S1020 PolarHBondContact O-N 2.74Å; E1018-R1442 VanDerWaalsContact CD-NH2 3.31Å; E1018-R1442 VanDerWaalsContact CG-NH2 3.34Å; E1018-R1442 IonicContact OE2-CZ 2.76Å; E1018-R1442 IonicContact OE2-NE 3.1Å; E1018-R1442 IonicContact OE2-NH2 3.52Å; E1018-R1442 PolarHBondContact OE2-NH2 3.14Å |
| 1019 | N | 66.6 | Low | 72.2 | Confident | 57 Ų | 57 | 68 Ų | 68 | 31% | 0.305 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 38.2 | -177.2 | -59.4 | -35.5 | 0 | 0 | 0 | 113.6 | L1035 Y1040 | N1019-L1035 PolarHBondContact O-N 2.96Å; N1019-Y1040 HydrophobicContact CB-CE1 3.81Å; N1019-Y1040 WeakPolarHBondContact CB-OH 3.32Å; N1019-Y1040 PolarHBondContact ND2-OH 3.29Å |
| 1020 | S | 72.5 | Confident | 72.4 | Confident | 9 Ų | 9 | 69.5 Ų | 69.5 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 158.5 | 173.3 | 69.8 | 0 | 0 | 0 | 0 | 112.5 | P1017 E1018 V1033 | P1017-S1020 WeakPolarHBondContact CD-OG 3.36Å; P1017-S1020 VanDerWaalsContact O-CB 3.25Å; P1017-S1020 WeakPolarHBondContact O-CB 3.08Å; P1017-S1020 PolarHBondContact O-N 3.06Å; P1017-S1020 PolarHBondContact O-OG 3.39Å; E1018-S1020 PolarHBondContact O-N 2.74Å; S1020-V1033 CarbonylContact C-O 3.59Å; S1020-V1033 WeakPolarHBondContact CA-O 3.43Å; S1020-V1033 WeakPolarHBondContact CB-O 3.33Å |
| 1021 | I | 79 | Confident | 72.9 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 131.8 | 170.9 | -64.6 | -176.6 | 0 | 0 | 0 | 107.8 | L1023 Y1032 V1033 L1035 F1047 F1101 L1105 | I1021-L1023 PolarHBondContact O-N 2.86Å; I1021-Y1032 CarbonylContact O-C 3.6Å; I1021-Y1032 WeakPolarHBondContact O-CA 3.49Å; I1021-V1033 PolarHBondContact N-O 2.88Å; I1021-V1033 PolarHBondContact O-N 2.77Å; I1021-L1035 HydrophobicContact CD1-CD1 3.45Å; I1021-L1035 VanDerWaalsContact CD1-CD1 3.45Å; I1021-L1035 HydrophobicContact CD1-CG 4.31Å; I1021-L1035 HydrophobicContact CG1-CD1 3.86Å; I1021-L1035 HydrophobicContact CG1-CG 4.4Å; I1021-F1047 HydrophobicContact CD1-CE2 4.16Å; I1021-F1047 HydrophobicContact CD1-CZ 4.18Å; I1021-F1101 HydrophobicContact CD1-CB 4.28Å; I1021-F1101 HydrophobicContact CD1-CD2 4.41Å; I1021-F1101 HydrophobicContact CD1-CG 4.39Å; I1021-F1101 HydrophobicContact CG2-CB 3.99Å; I1021-F1101 HydrophobicContact CG2-CD1 3.1Å; I1021-F1101 HydrophobicContact CG2-CD2 3.72Å; I1021-F1101 HydrophobicContact CG2-CE1 3.31Å; I1021-F1101 HydrophobicContact CG2-CE2 3.88Å; I1021-F1101 HydrophobicContact CG2-CG 3.32Å; I1021-F1101 HydrophobicContact CG2-CZ 3.67Å; I1021-L1105 HydrophobicContact CD1-CD1 4.2Å; I1021-L1105 HydrophobicContact CG1-CD1 3.91Å |
| 1022 | M | 80.6 | Confident | 73.6 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 16% | 0.163 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 105.2 | 174.4 | -172 | 174.1 | 58.1 | 0 | 0 | 110.4 | V1024 I1031 Y1032 F1101 | M1022-V1024 WeakPolarHBondContact CG-O 3.49Å; M1022-I1031 CarbonylContact C-O 3.56Å; M1022-Y1032 HydrophobicContact CB-CD1 3.86Å; M1022-Y1032 HydrophobicContact CB-CE1 3.6Å; M1022-Y1032 HydrophobicContact CG-CD1 4.35Å; M1022-Y1032 HydrophobicContact CG-CE1 3.92Å; M1022-Y1032 HydrophobicContact CG-CE2 4.43Å; M1022-Y1032 HydrophobicContact SD-CE1 4.23Å; M1022-F1101 WeakPolarHBondContact O-CE1 3.41Å |
| 1023 | L | 81.7 | Confident | 74.9 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -45.2 | -178.6 | -177.7 | 64.8 | 0 | 0 | 0 | 112.6 | L958 Q961 I962 L965 I1021 I1031 V1033 F1101 | L958-L1023 HydrophobicContact CD1-CD2 3.73Å; Q961-L1023 HydrophobicContact CB-CD1 4.17Å; I962-L1023 HydrophobicContact CG1-CD2 3.88Å; L965-L1023 HydrophobicContact CB-CD1 4.44Å; L965-L1023 HydrophobicContact CD2-CD1 4.25Å; I1021-L1023 PolarHBondContact O-N 2.86Å; L1023-I1031 PolarHBondContact N-O 3.32Å; L1023-V1033 HydrophobicContact CB-CG2 3.87Å; L1023-V1033 HydrophobicContact CD2-CG2 3.98Å; L1023-F1101 HydrophobicContact CD1-CZ 4.46Å |
| 1024 | V | 75.9 | Confident | 75.7 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 134.2 | 178.8 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | L958 M1022 Q1026 R1030 I1031 | L958-V1024 HydrophobicContact CD1-CG2 3.93Å; M1022-V1024 WeakPolarHBondContact CG-O 3.49Å; V1024-Q1026 HydrophobicContact CG1-CG 4.19Å; V1024-R1030 WeakPolarHBondContact O-CA 3.44Å; V1024-I1031 HydrophobicContact CB-CB 4.15Å; V1024-I1031 HydrophobicContact CB-CD1 4.26Å; V1024-I1031 HydrophobicContact CB-CG1 4.08Å; V1024-I1031 HydrophobicContact CG2-CB 4.35Å; V1024-I1031 HydrophobicContact CG2-CD1 3.98Å; V1024-I1031 HydrophobicContact CG2-CG1 4.3Å; V1024-I1031 PolarHBondContact O-N 3Å; V1024-I1031 VanDerWaalsContact O-N 3.16Å |
| 1025 | S | 72.1 | Confident | 76 | Confident | 64 Ų | 64 | 48 Ų | 48 | 45% | 0.448 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 67.1 | -176.7 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | ||
| 1026 | Q | 76.5 | Confident | 75.8 | Confident | 101 Ų | 101 | 49.9 Ų | 49.9 | 47% | 0.472 | 24% | 0.244 | S | C | . | . | trans | -104.9 | 158.5 | 171.1 | -66.3 | 177 | -12.1 | 0 | 0 | 109 | V1024 E1028 C1029 | V1024-Q1026 HydrophobicContact CG1-CG 4.19Å; Q1026-E1028 VanDerWaalsContact C-N 3.28Å; Q1026-E1028 PolarHBondContact O-N 2.85Å; Q1026-C1029 PolarHBondContact N-O 3.42Å; Q1026-C1029 CarbonylContact O-C 3.58Å; Q1026-C1029 PolarHBondContact O-N 3.41Å; Q1026-C1029 VanDerWaalsContact O-O 3.1Å | ||
| 1027 | E | 70.4 | Confident | 75.2 | Confident | 194 Ų | 194 | 54.8 Ų | 54.8 | 91% | 0.907 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -56.6 | -43.6 | 179.4 | -83.1 | -173.9 | 151.8 | 0 | 0 | 111.9 | ||
| 1028 | E | 77.3 | Confident | 74.9 | Confident | 113 Ų | 113 | 55.5 Ų | 55.5 | 53% | 0.528 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -89.9 | -7 | -177.4 | -59.2 | -166.8 | 157.7 | 0 | 0 | 114.5 | C983 N984 Q1026 | C983-E1028 CarbonylContact C-O 3.41Å; C983-E1028 VanDerWaalsContact CA-O 3.26Å; C983-E1028 WeakPolarHBondContact CA-O 3.21Å; N984-E1028 PolarHBondContact N-O 3.15Å; Q1026-E1028 VanDerWaalsContact C-N 3.28Å; Q1026-E1028 PolarHBondContact O-N 2.85Å |
| 1029 | C | 85.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 120.7 | -178.9 | -170.8 | 0 | 0 | 0 | 0 | 113 | W982 C983 Q987 Q1026 | W982-C1029 CarbonylContact O-C 3.46Å; W982-C1029 VanDerWaalsContact O-CA 3.32Å; W982-C1029 WeakPolarHBondContact O-CA 3.46Å; C983-C1029 HydrophobicContact CB-CB 3.73Å; C983-C1029 WeakPolarHBondContact CB-SG 3.32Å; C983-C1029 VanDerWaalsContact SG-CA 3.53Å; C983-C1029 WeakPolarHBondContact SG-CB 3.15Å; C983-C1029 CovalentContact SG-SG 2.06Å; C983-C1029 PolarHBondContact SG-SG 3.35Å; Q987-C1029 HydrophobicContact CB-CB 3.83Å; Q987-C1029 HydrophobicContact CG-CB 3.86Å; Q1026-C1029 PolarHBondContact N-O 3.42Å; Q1026-C1029 CarbonylContact O-C 3.58Å; Q1026-C1029 PolarHBondContact O-N 3.41Å; Q1026-C1029 VanDerWaalsContact O-O 3.1Å |
| 1030 | R | 85.8 | Confident | 74.7 | Confident | 88 Ų | 88 | 56.9 Ų | 56.9 | 33% | 0.332 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 119.7 | 176.7 | -63.1 | 179.8 | -178.9 | 176.2 | -1.4 | 109.6 | A981 W982 V1024 Y1032 | A981-R1030 CarbonylContact C-O 3.38Å; A981-R1030 WeakPolarHBondContact CA-O 3.49Å; W982-R1030 PolarHBondContact N-O 3.38Å; W982-R1030 PolarHBondContact O-N 2.99Å; V1024-R1030 WeakPolarHBondContact O-CA 3.44Å; R1030-Y1032 HydrophobicContact CB-CE2 4.04Å |
| 1031 | I | 88.1 | Confident | 74.4 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 120.6 | -177.8 | -55.3 | -177.1 | 0 | 0 | 0 | 109.3 | F954 L958 A979 A981 I991 F1004 M1022 L1023 V1024 | F954-I1031 HydrophobicContact CZ-CD1 4.16Å; L958-I1031 HydrophobicContact CD1-CD1 4.03Å; L958-I1031 HydrophobicContact CD2-CD1 3.92Å; A979-I1031 HydrophobicContact CB-CG2 3.99Å; A981-I1031 HydrophobicContact CB-CG1 3.9Å; I991-I1031 HydrophobicContact CD1-CD1 4.05Å; F1004-I1031 HydrophobicContact CZ-CG2 4.1Å; M1022-I1031 CarbonylContact C-O 3.56Å; L1023-I1031 PolarHBondContact N-O 3.32Å; V1024-I1031 HydrophobicContact CB-CB 4.15Å; V1024-I1031 HydrophobicContact CB-CD1 4.26Å; V1024-I1031 HydrophobicContact CB-CG1 4.08Å; V1024-I1031 HydrophobicContact CG2-CB 4.35Å; V1024-I1031 HydrophobicContact CG2-CD1 3.98Å; V1024-I1031 HydrophobicContact CG2-CG1 4.3Å; V1024-I1031 PolarHBondContact O-N 3Å; V1024-I1031 VanDerWaalsContact O-N 3.16Å |
| 1032 | Y | 85.7 | Confident | 73.7 | Confident | 23 Ų | 23 | 65.8 Ų | 65.8 | 9% | 0.09 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 117.7 | 179.1 | -70.7 | -94.2 | 0 | 0 | 0 | 111 | A979 V980 W982 P1016 I1021 M1022 R1030 | A979-Y1032 CarbonylContact C-O 3.35Å; A979-Y1032 WeakPolarHBondContact CA-O 3.34Å; A979-Y1032 WeakPolarHBondContact CB-O 3.31Å; V980-Y1032 PolarHBondContact N-O 2.92Å; V980-Y1032 PolarHBondContact O-N 3.14Å; W982-Y1032 AromaticContact CE3-CD2 3.86Å; W982-Y1032 HydrophobicContact CE3-CD2 3.86Å; W982-Y1032 HydrophobicContact CE3-CE2 4.14Å; W982-Y1032 HydrophobicContact CH2-CD2 4.5Å; W982-Y1032 AromaticContact CZ3-CD2 3.44Å; W982-Y1032 HydrophobicContact CZ3-CD2 3.44Å; W982-Y1032 VanDerWaalsContact CZ3-CD2 3.44Å; W982-Y1032 AromaticContact CZ3-CE2 3.92Å; W982-Y1032 HydrophobicContact CZ3-CE2 3.92Å; W982-Y1032 HydrophobicContact CZ3-CG 4.29Å; P1016-Y1032 HydrophobicContact CB-CD1 3.98Å; P1016-Y1032 HydrophobicContact CB-CE1 3.67Å; P1016-Y1032 HydrophobicContact CG-CE1 4.11Å; I1021-Y1032 CarbonylContact O-C 3.6Å; I1021-Y1032 WeakPolarHBondContact O-CA 3.49Å; M1022-Y1032 HydrophobicContact CB-CD1 3.86Å; M1022-Y1032 HydrophobicContact CB-CE1 3.6Å; M1022-Y1032 HydrophobicContact CG-CD1 4.35Å; M1022-Y1032 HydrophobicContact CG-CE1 3.92Å; M1022-Y1032 HydrophobicContact CG-CE2 4.43Å; M1022-Y1032 HydrophobicContact SD-CE1 4.23Å; R1030-Y1032 HydrophobicContact CB-CE2 4.04Å |
| 1033 | V | 86.1 | Confident | 73.1 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 118.3 | 179.8 | -173.6 | 0 | 0 | 0 | 0 | 109.7 | L965 L977 A979 F1004 S1020 I1021 L1023 | L965-V1033 HydrophobicContact CD2-CB 4.11Å; L965-V1033 HydrophobicContact CD2-CG1 4.01Å; L965-V1033 HydrophobicContact CD2-CG2 3.95Å; L977-V1033 HydrophobicContact CB-CG1 4.14Å; L977-V1033 HydrophobicContact CD2-CG1 4.17Å; A979-V1033 HydrophobicContact CB-CG2 4.13Å; F1004-V1033 HydrophobicContact CE2-CG2 4.02Å; S1020-V1033 CarbonylContact C-O 3.59Å; S1020-V1033 WeakPolarHBondContact CA-O 3.43Å; S1020-V1033 WeakPolarHBondContact CB-O 3.33Å; I1021-V1033 PolarHBondContact N-O 2.88Å; I1021-V1033 PolarHBondContact O-N 2.77Å; L1023-V1033 HydrophobicContact CB-CG2 3.87Å; L1023-V1033 HydrophobicContact CD2-CG2 3.98Å |
| 1034 | Q | 77.6 | Confident | 72.6 | Confident | 35 Ų | 35 | 64.9 Ų | 64.9 | 16% | 0.164 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 121.6 | 176 | -68.7 | -179.8 | -2 | 0 | 0 | 110.9 | V978 P1017 K1036 | V978-Q1034 WeakPolarHBondContact O-CB 3.45Å; V978-Q1034 PolarHBondContact O-N 2.77Å; P1017-Q1034 HydrophobicContact CB-CG 3.94Å; P1017-Q1034 HydrophobicContact CG-CG 4.48Å; Q1034-K1036 VanDerWaalsContact C-N 3.35Å; Q1034-K1036 PolarHBondContact O-N 2.89Å; Q1034-K1036 VanDerWaalsContact O-N 3.14Å |
| 1035 | L | 72.8 | Confident | 72.5 | Confident | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | trans | -89 | 69.7 | 176.9 | -63.7 | -176.8 | 0 | 0 | 0 | 111.1 | V969 N1019 I1021 V1038 Y1040 L1105 | V969-L1035 HydrophobicContact CG1-CD2 4.29Å; V969-L1035 HydrophobicContact CG2-CD2 4.47Å; N1019-L1035 PolarHBondContact O-N 2.96Å; I1021-L1035 HydrophobicContact CD1-CD1 3.45Å; I1021-L1035 VanDerWaalsContact CD1-CD1 3.45Å; I1021-L1035 HydrophobicContact CD1-CG 4.31Å; I1021-L1035 HydrophobicContact CG1-CD1 3.86Å; I1021-L1035 HydrophobicContact CG1-CG 4.4Å; L1035-V1038 HydrophobicContact CB-CB 4.31Å; L1035-V1038 HydrophobicContact CB-CG2 4.02Å; L1035-V1038 HydrophobicContact CD2-CG2 4.31Å; L1035-Y1040 PolarHBondContact O-OH 2.93Å; L1035-L1105 HydrophobicContact CD1-CD1 3.94Å | ||
| 1036 | K | 62.1 | Low | 72.7 | Confident | 134 Ų | 134 | 71.1 Ų | 71.1 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 132.5 | 173.2 | -71.2 | 179.8 | 179.4 | 165 | 0 | 110.1 | Q1034 V1038 | Q1034-K1036 VanDerWaalsContact C-N 3.35Å; Q1034-K1036 PolarHBondContact O-N 2.89Å; Q1034-K1036 VanDerWaalsContact O-N 3.14Å; K1036-V1038 VanDerWaalsContact C-N 3.31Å; K1036-V1038 PolarHBondContact O-N 2.99Å |
| 1037 | N | 54.8 | Low | 72.8 | Confident | 165 Ų | 165 | 66.3 Ų | 66.3 | 88% | 0.882 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 14.2 | 176.9 | -50.9 | -35.5 | 0 | 0 | 0 | 116.5 | ||
| 1038 | V | 60.4 | Low | 73.3 | Confident | 25 Ų | 25 | 59.7 Ų | 59.7 | 15% | 0.152 | 27% | 0.273 | C | S | . | . | trans | -93.1 | 135.3 | 175.7 | -163.6 | 0 | 0 | 0 | 0 | 109.7 | V971 L1035 K1036 Y1040 V1043 | V971-V1038 HydrophobicContact CG2-CG2 4.13Å; L1035-V1038 HydrophobicContact CB-CB 4.31Å; L1035-V1038 HydrophobicContact CB-CG2 4.02Å; L1035-V1038 HydrophobicContact CD2-CG2 4.31Å; K1036-V1038 VanDerWaalsContact C-N 3.31Å; K1036-V1038 PolarHBondContact O-N 2.99Å; V1038-Y1040 PolarHBondContact O-N 3.35Å; V1038-Y1040 VanDerWaalsContact O-N 3.08Å; V1038-V1043 HydrophobicContact CB-CG2 4.48Å; V1038-V1043 HydrophobicContact CG1-CG2 3.29Å | ||
| 1039 | K | 60.5 | Low | 73.4 | Confident | 134 Ų | 134 | 63 Ų | 63 | 58% | 0.583 | 28% | 0.28 | S | S | * | . | trans | -73.8 | 99.1 | 177.1 | -71.1 | 173.1 | 175.3 | 174.3 | 0 | 110.2 | E1041 E1042 V1043 | K1039-E1041 VanDerWaalsContact C-N 3.3Å; K1039-E1041 PolarHBondContact O-N 2.98Å; K1039-E1041 VanDerWaalsContact O-N 3.16Å; K1039-E1042 HydrophobicContact CB-CB 4.24Å; K1039-E1042 HydrophobicContact CB-CG 4.3Å; K1039-E1042 HydrophobicContact CD-CG 4.32Å; K1039-E1042 WeakPolarHBondContact CD-OE1 3.33Å; K1039-E1042 VanDerWaalsContact CD-OE2 3.27Å; K1039-E1042 WeakPolarHBondContact CD-OE2 3.2Å; K1039-E1042 IonicContact NZ-OE1 3.75Å; K1039-E1042 PolarHBondContact NZ-OE1 3.21Å; K1039-E1042 IonicContact NZ-OE2 3.65Å; K1039-E1042 PolarHBondContact O-N 2.88Å; K1039-V1043 PolarHBondContact O-N 3.04Å | ||
| 1040 | Y | 64.6 | Low | 73.2 | Confident | 53 Ų | 53 | 65.5 Ų | 65.5 | 21% | 0.208 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -49.6 | -42.7 | -174.5 | -60.1 | -76 | 0 | 0 | 0 | 115 | N1019 L1035 V1038 E1042 V1043 L1044 L1105 | N1019-Y1040 HydrophobicContact CB-CE1 3.81Å; N1019-Y1040 WeakPolarHBondContact CB-OH 3.32Å; N1019-Y1040 PolarHBondContact ND2-OH 3.29Å; L1035-Y1040 PolarHBondContact O-OH 2.93Å; V1038-Y1040 PolarHBondContact O-N 3.35Å; V1038-Y1040 VanDerWaalsContact O-N 3.08Å; Y1040-E1042 VanDerWaalsContact C-N 3.35Å; Y1040-E1042 PolarHBondContact O-N 3.07Å; Y1040-V1043 PolarHBondContact O-N 3.31Å; Y1040-L1044 PolarHBondContact O-N 3.1Å; Y1040-L1105 HydrophobicContact CD1-CD1 4.37Å; Y1040-L1105 HydrophobicContact CD1-CD2 3.89Å; Y1040-L1105 HydrophobicContact CD1-CG 4.06Å |
| 1041 | E | 64.6 | Low | 73.2 | Confident | 83 Ų | 83 | 61.9 Ų | 61.9 | 39% | 0.388 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.9 | -33.5 | -179.3 | -72.3 | -175.4 | -177.2 | 0 | 0 | 112.8 | K1039 K1045 K1225 | K1039-E1041 VanDerWaalsContact C-N 3.3Å; K1039-E1041 PolarHBondContact O-N 2.98Å; K1039-E1041 VanDerWaalsContact O-N 3.16Å; E1041-K1045 WeakPolarHBondContact O-CG 3.36Å; E1041-K1045 PolarHBondContact O-N 3.47Å; E1041-K1225 IonicContact OE1-NZ 3.95Å; E1041-K1225 PolarHBondContact OE1-NZ 3.3Å |
| 1042 | E | 65.1 | Low | 73.1 | Confident | 113 Ų | 113 | 66.8 Ų | 66.8 | 53% | 0.528 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71.5 | -39.3 | 177 | -72.9 | 176.3 | -169.4 | 0 | 0 | 110.7 | K1039 Y1040 R1046 | K1039-E1042 HydrophobicContact CB-CB 4.24Å; K1039-E1042 HydrophobicContact CB-CG 4.3Å; K1039-E1042 HydrophobicContact CD-CG 4.32Å; K1039-E1042 WeakPolarHBondContact CD-OE1 3.33Å; K1039-E1042 VanDerWaalsContact CD-OE2 3.27Å; K1039-E1042 WeakPolarHBondContact CD-OE2 3.2Å; K1039-E1042 IonicContact NZ-OE1 3.75Å; K1039-E1042 PolarHBondContact NZ-OE1 3.21Å; K1039-E1042 IonicContact NZ-OE2 3.65Å; K1039-E1042 PolarHBondContact O-N 2.88Å; Y1040-E1042 VanDerWaalsContact C-N 3.35Å; Y1040-E1042 PolarHBondContact O-N 3.07Å; E1042-R1046 WeakPolarHBondContact O-CB 3.38Å; E1042-R1046 PolarHBondContact O-N 2.94Å; E1042-R1046 VanDerWaalsContact O-N 3.11Å |
| 1043 | V | 67.9 | Low | 73.1 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65 | -47.3 | 176 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | V969 V1038 K1039 Y1040 K1045 R1046 F1047 L1105 | V969-V1043 HydrophobicContact CG1-CG1 4.28Å; V1038-V1043 HydrophobicContact CB-CG2 4.48Å; V1038-V1043 HydrophobicContact CG1-CG2 3.29Å; K1039-V1043 PolarHBondContact O-N 3.04Å; Y1040-V1043 PolarHBondContact O-N 3.31Å; V1043-K1045 PolarHBondContact O-N 3.28Å; V1043-R1046 WeakPolarHBondContact O-CB 3.18Å; V1043-R1046 PolarHBondContact O-N 3.34Å; V1043-R1046 VanDerWaalsContact O-N 3.14Å; V1043-F1047 HydrophobicContact CG1-CD2 4.06Å; V1043-F1047 HydrophobicContact CG1-CE1 4.04Å; V1043-F1047 HydrophobicContact CG1-CE2 3.52Å; V1043-F1047 HydrophobicContact CG1-CZ 3.51Å; V1043-F1047 PolarHBondContact O-N 3.48Å; V1043-L1105 HydrophobicContact CG1-CD2 4.43Å |
| 1044 | L | 72 | Confident | 73.2 | Confident | 22 Ų | 22 | 71 Ų | 71 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 178.5 | -78.5 | 170.2 | 0 | 0 | 0 | 112 | Y1040 R1046 F1047 D1048 R1102 L1105 | Y1040-L1044 PolarHBondContact O-N 3.1Å; L1044-R1046 PolarHBondContact O-N 3.19Å; L1044-F1047 PolarHBondContact O-N 3.31Å; L1044-D1048 PolarHBondContact O-N 2.96Å; L1044-R1102 HydrophobicContact CD2-CG 3.92Å; L1044-L1105 HydrophobicContact CD1-CD2 4.49Å; L1044-L1105 HydrophobicContact CD2-CB 4.17Å; L1044-L1105 HydrophobicContact CD2-CD2 4.2Å; L1044-L1105 HydrophobicContact CG-CD2 3.95Å |
| 1045 | K | 73.1 | Confident | 73.7 | Confident | 136 Ų | 136 | 73.2 Ų | 73.2 | 59% | 0.591 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.3 | -32 | 176.5 | -80 | -178 | 177.8 | 177.4 | 0 | 112.8 | E1041 V1043 R1049 | E1041-K1045 WeakPolarHBondContact O-CG 3.36Å; E1041-K1045 PolarHBondContact O-N 3.47Å; V1043-K1045 PolarHBondContact O-N 3.28Å; K1045-R1049 WeakPolarHBondContact O-CG 3.46Å; K1045-R1049 PolarHBondContact O-N 3.5Å; K1045-R1049 VanDerWaalsContact O-N 3.15Å |
| 1046 | R | 75.1 | Confident | 74.4 | Confident | 68 Ų | 68 | 80.8 Ų | 80.8 | 26% | 0.257 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -72.5 | -44.8 | 176.6 | -179.7 | 175.7 | -74.2 | 147.7 | 4.1 | 111.5 | D968 E970 E1042 V1043 L1044 D1048 R1049 Q1050 | D968-R1046 WeakPolarHBondContact O-CD 3.35Å; D968-R1046 PolarHBondContact O-NH1 2.92Å; E970-R1046 IonicContact OE1-CZ 3.89Å; E970-R1046 IonicContact OE1-NE 3.57Å; E970-R1046 IonicContact OE1-NH1 2.86Å; E970-R1046 PolarHBondContact OE1-NH1 3.42Å; E970-R1046 IonicContact OE1-NH2 3.26Å; E970-R1046 PolarHBondContact OE1-NH2 3.09Å; E970-R1046 IonicContact OE2-CZ 3.85Å; E970-R1046 VanDerWaalsContact OE2-CZ 3.24Å; E970-R1046 IonicContact OE2-NH1 2.73Å; E970-R1046 PolarHBondContact OE2-NH1 3.16Å; E970-R1046 IonicContact OE2-NH2 2.88Å; E970-R1046 PolarHBondContact OE2-NH2 3.43Å; E1042-R1046 WeakPolarHBondContact O-CB 3.38Å; E1042-R1046 PolarHBondContact O-N 2.94Å; E1042-R1046 VanDerWaalsContact O-N 3.11Å; V1043-R1046 WeakPolarHBondContact O-CB 3.18Å; V1043-R1046 PolarHBondContact O-N 3.34Å; V1043-R1046 VanDerWaalsContact O-N 3.14Å; L1044-R1046 PolarHBondContact O-N 3.19Å; R1046-D1048 PolarHBondContact O-N 3.31Å; R1046-R1049 PolarHBondContact O-N 2.93Å; R1046-R1049 VanDerWaalsContact O-N 3.11Å; R1046-Q1050 HydrophobicContact CG-CG 4.47Å; R1046-Q1050 PolarHBondContact O-N 2.68Å |
| 1047 | F | 79.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.9 | -40.6 | 174 | -67.6 | -18.6 | 0 | 0 | 0 | 111.1 | D968 V969 I1021 V1043 L1044 R1049 Q1050 L1051 L1098 F1101 | D968-F1047 HydrophobicContact CB-CE1 4.23Å; V969-F1047 HydrophobicContact CG1-CZ 4.27Å; I1021-F1047 HydrophobicContact CD1-CE2 4.16Å; I1021-F1047 HydrophobicContact CD1-CZ 4.18Å; V1043-F1047 HydrophobicContact CG1-CD2 4.06Å; V1043-F1047 HydrophobicContact CG1-CE1 4.04Å; V1043-F1047 HydrophobicContact CG1-CE2 3.52Å; V1043-F1047 HydrophobicContact CG1-CZ 3.51Å; V1043-F1047 PolarHBondContact O-N 3.48Å; L1044-F1047 PolarHBondContact O-N 3.31Å; F1047-R1049 PolarHBondContact O-N 2.89Å; F1047-Q1050 PolarHBondContact O-N 3.34Å; F1047-L1051 WeakPolarHBondContact O-CB 3.21Å; F1047-L1051 WeakPolarHBondContact O-CG 3.36Å; F1047-L1051 PolarHBondContact O-N 3.04Å; F1047-L1098 HydrophobicContact CD1-CD2 3.71Å; F1047-L1098 HydrophobicContact CE1-CD2 4.1Å; F1047-L1098 HydrophobicContact CG-CD2 4.26Å; F1047-F1101 HydrophobicContact CD2-CB 4.33Å; F1047-F1101 HydrophobicContact CE2-CB 3.81Å; F1047-F1101 HydrophobicContact CZ-CB 4.28Å; F1047-F1101 HydrophobicContact CZ-CD2 4.21Å |
| 1048 | D | 80.5 | Confident | 77.3 | Confident | 55 Ų | 55 | 76.4 Ų | 76.4 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 174 | -67 | -30.3 | 0 | 0 | 0 | 111.7 | L1044 R1046 L1051 E1052 R1102 | L1044-D1048 PolarHBondContact O-N 2.96Å; R1046-D1048 PolarHBondContact O-N 3.31Å; D1048-L1051 PolarHBondContact O-N 3.38Å; D1048-E1052 WeakPolarHBondContact O-CG 3.37Å; D1048-E1052 PolarHBondContact O-N 3.39Å; D1048-R1102 WeakPolarHBondContact OD1-CD 3.14Å; D1048-R1102 IonicContact OD1-CZ 3.65Å; D1048-R1102 IonicContact OD1-NE 3.05Å; D1048-R1102 PolarHBondContact OD1-NE 3.46Å; D1048-R1102 IonicContact OD1-NH2 2.6Å |
| 1049 | R | 80.2 | Confident | 78.6 | Confident | 181 Ų | 181 | 79 Ų | 79 | 68% | 0.683 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.3 | -40.9 | 176.5 | -73.8 | 176.5 | -179.4 | 179 | -0.5 | 113.4 | K1045 R1046 F1047 E1052 V1053 | K1045-R1049 WeakPolarHBondContact O-CG 3.46Å; K1045-R1049 PolarHBondContact O-N 3.5Å; K1045-R1049 VanDerWaalsContact O-N 3.15Å; R1046-R1049 PolarHBondContact O-N 2.93Å; R1046-R1049 VanDerWaalsContact O-N 3.11Å; F1047-R1049 PolarHBondContact O-N 2.89Å; R1049-E1052 PolarHBondContact O-N 3.08Å; R1049-V1053 WeakPolarHBondContact O-CG2 3.31Å; R1049-V1053 PolarHBondContact O-N 2.96Å; R1049-V1053 VanDerWaalsContact O-N 3.12Å |
| 1050 | Q | 80.7 | Confident | 79.9 | Confident | 53 Ų | 53 | 79 Ų | 79 | 25% | 0.248 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.2 | -42 | 177.2 | -75.5 | 179.8 | -35.1 | 0 | 0 | 110.8 | D968 R1046 F1047 V1053 L1054 L1098 | D968-Q1050 PolarHBondContact OD1-NE2 3.1Å; R1046-Q1050 HydrophobicContact CG-CG 4.47Å; R1046-Q1050 PolarHBondContact O-N 2.68Å; F1047-Q1050 PolarHBondContact O-N 3.34Å; Q1050-V1053 PolarHBondContact O-N 2.9Å; Q1050-L1054 WeakPolarHBondContact O-CG 3.24Å; Q1050-L1054 PolarHBondContact O-N 3.31Å; Q1050-L1098 HydrophobicContact CB-CD1 3.84Å |
| 1051 | L | 85.6 | Confident | 80.9 | Confident | 13 Ų | 13 | 77 Ų | 77 | 7% | 0.068 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60 | -44.3 | 174 | -77.7 | 168.3 | 0 | 0 | 0 | 111.7 | F1047 D1048 V1053 L1054 E1055 M1095 L1098 R1099 | F1047-L1051 WeakPolarHBondContact O-CB 3.21Å; F1047-L1051 WeakPolarHBondContact O-CG 3.36Å; F1047-L1051 PolarHBondContact O-N 3.04Å; D1048-L1051 PolarHBondContact O-N 3.38Å; L1051-V1053 VanDerWaalsContact C-N 3.31Å; L1051-V1053 PolarHBondContact O-N 3.48Å; L1051-L1054 PolarHBondContact O-N 3.45Å; L1051-E1055 WeakPolarHBondContact O-CB 3.49Å; L1051-E1055 WeakPolarHBondContact O-CG 3.36Å; L1051-E1055 PolarHBondContact O-N 2.77Å; L1051-M1095 HydrophobicContact CD2-CB 4.16Å; L1051-M1095 HydrophobicContact CD2-CG 4.24Å; L1051-L1098 HydrophobicContact CD1-CB 4.35Å; L1051-L1098 HydrophobicContact CD2-CB 3.77Å; L1051-L1098 HydrophobicContact CD2-CD1 4.3Å; L1051-L1098 HydrophobicContact CG-CB 3.94Å; L1051-L1098 HydrophobicContact CG-CD1 4.3Å; L1051-R1099 HydrophobicContact CD1-CG 4Å; L1051-R1099 HydrophobicContact CD2-CG 3.88Å |
| 1052 | E | 86.6 | Confident | 81.9 | Confident | 102 Ų | 102 | 74.5 Ų | 74.5 | 48% | 0.477 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.9 | -39.4 | 175.2 | -76.5 | 179.3 | -168.5 | 0 | 0 | 112.8 | D1048 R1049 R1056 | D1048-E1052 WeakPolarHBondContact O-CG 3.37Å; D1048-E1052 PolarHBondContact O-N 3.39Å; R1049-E1052 PolarHBondContact O-N 3.08Å; E1052-R1056 VanDerWaalsContact O-CG 3.31Å; E1052-R1056 WeakPolarHBondContact O-CG 3.21Å; E1052-R1056 PolarHBondContact O-N 2.91Å; E1052-R1056 VanDerWaalsContact O-N 3.12Å |
| 1053 | V | 85.8 | Confident | 82.8 | Confident | 95 Ų | 95 | 73.3 Ų | 73.3 | 58% | 0.576 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -67.9 | -44.2 | 178.2 | 171.9 | 0 | 0 | 0 | 0 | 111 | R1049 Q1050 L1051 R1056 K1057 | R1049-V1053 WeakPolarHBondContact O-CG2 3.31Å; R1049-V1053 PolarHBondContact O-N 2.96Å; R1049-V1053 VanDerWaalsContact O-N 3.12Å; Q1050-V1053 PolarHBondContact O-N 2.9Å; L1051-V1053 VanDerWaalsContact C-N 3.31Å; L1051-V1053 PolarHBondContact O-N 3.48Å; V1053-R1056 PolarHBondContact O-N 3.45Å; V1053-K1057 PolarHBondContact O-N 2.95Å |
| 1054 | L | 87.1 | Confident | 83.3 | Confident | 18 Ų | 18 | 79.9 Ų | 79.9 | 9% | 0.094 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 177.5 | -71 | 173.8 | 0 | 0 | 0 | 111.9 | Q1050 L1051 R1056 K1057 R1058 V1091 E1094 M1095 L1098 | Q1050-L1054 WeakPolarHBondContact O-CG 3.24Å; Q1050-L1054 PolarHBondContact O-N 3.31Å; L1051-L1054 PolarHBondContact O-N 3.45Å; L1054-R1056 VanDerWaalsContact C-N 3.34Å; L1054-R1056 PolarHBondContact O-N 3.44Å; L1054-K1057 WeakPolarHBondContact O-CB 3.35Å; L1054-K1057 PolarHBondContact O-N 2.97Å; L1054-K1057 VanDerWaalsContact O-N 3.13Å; L1054-R1058 WeakPolarHBondContact O-CB 3.49Å; L1054-R1058 PolarHBondContact O-N 2.91Å; L1054-V1091 HydrophobicContact CB-CG1 4.29Å; L1054-V1091 HydrophobicContact CD2-CG1 4.39Å; L1054-E1094 HydrophobicContact CD1-CB 4.23Å; L1054-E1094 HydrophobicContact CD1-CG 3.92Å; L1054-M1095 HydrophobicContact CB-CG 3.61Å; L1054-M1095 HydrophobicContact CB-SD 4.08Å; L1054-M1095 HydrophobicContact CD1-CG 3.98Å; L1054-M1095 HydrophobicContact CG-CG 4.44Å; L1054-L1098 HydrophobicContact CD1-CD1 3.66Å |
| 1055 | E | 88.8 | Confident | 83.6 | Confident | 80 Ų | 80 | 80 Ų | 80 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59 | -45.4 | 174.3 | -80.5 | 176.7 | 177.6 | 0 | 0 | 111 | L1051 K1057 R1058 T1059 M1095 R1099 | L1051-E1055 WeakPolarHBondContact O-CB 3.49Å; L1051-E1055 WeakPolarHBondContact O-CG 3.36Å; L1051-E1055 PolarHBondContact O-N 2.77Å; E1055-K1057 VanDerWaalsContact C-N 3.35Å; E1055-K1057 PolarHBondContact O-N 2.91Å; E1055-R1058 WeakPolarHBondContact O-CB 3.1Å; E1055-R1058 PolarHBondContact O-N 2.85Å; E1055-T1059 PolarHBondContact O-N 3.33Å; E1055-T1059 PolarHBondContact O-OG1 2.8Å; E1055-M1095 HydrophobicContact CG-CE 3.31Å; E1055-M1095 HydrophobicContact CG-SD 4Å; E1055-R1099 IonicContact OE1-CZ 3.08Å; E1055-R1099 IonicContact OE1-NH2 2.68Å; E1055-R1099 PolarHBondContact OE1-NH2 3.23Å |
| 1056 | R | 88.2 | Confident | 83.8 | Confident | 162 Ų | 162 | 79.4 Ų | 79.4 | 61% | 0.611 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.8 | -39.6 | 174.4 | -70.4 | 174.3 | -168.9 | 176.1 | 7.8 | 112.6 | E1052 V1053 L1054 K1060 | E1052-R1056 VanDerWaalsContact O-CG 3.31Å; E1052-R1056 WeakPolarHBondContact O-CG 3.21Å; E1052-R1056 PolarHBondContact O-N 2.91Å; E1052-R1056 VanDerWaalsContact O-N 3.12Å; V1053-R1056 PolarHBondContact O-N 3.45Å; L1054-R1056 VanDerWaalsContact C-N 3.34Å; L1054-R1056 PolarHBondContact O-N 3.44Å; R1056-K1060 WeakPolarHBondContact O-CG 3.44Å; R1056-K1060 PolarHBondContact O-N 2.96Å |
| 1057 | K | 87.5 | Confident | 83.5 | Confident | 111 Ų | 111 | 79 Ų | 79 | 48% | 0.483 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 176.7 | -174.2 | -178.6 | 174.8 | -168.5 | 0 | 110.5 | V1053 L1054 E1055 K1060 L1061 V1091 | V1053-K1057 PolarHBondContact O-N 2.95Å; L1054-K1057 WeakPolarHBondContact O-CB 3.35Å; L1054-K1057 PolarHBondContact O-N 2.97Å; L1054-K1057 VanDerWaalsContact O-N 3.13Å; E1055-K1057 VanDerWaalsContact C-N 3.35Å; E1055-K1057 PolarHBondContact O-N 2.91Å; K1057-K1060 PolarHBondContact O-N 3.34Å; K1057-L1061 HydrophobicContact CG-CD1 4.22Å; K1057-L1061 WeakPolarHBondContact O-CG 3.24Å; K1057-L1061 PolarHBondContact O-N 3.43Å; K1057-V1091 HydrophobicContact CD-CG2 4Å; K1057-V1091 HydrophobicContact CG-CG2 4.43Å |
| 1058 | R | 88.6 | Confident | 82.7 | Confident | 97 Ų | 97 | 82.5 Ų | 82.5 | 37% | 0.366 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.1 | -52.5 | 174.7 | -169.9 | -171.2 | -171.6 | -96.7 | -0.4 | 110.9 | L1054 E1055 K1060 L1061 T1062 V1091 D1092 | L1054-R1058 WeakPolarHBondContact O-CB 3.49Å; L1054-R1058 PolarHBondContact O-N 2.91Å; E1055-R1058 WeakPolarHBondContact O-CB 3.1Å; E1055-R1058 PolarHBondContact O-N 2.85Å; R1058-K1060 VanDerWaalsContact C-N 3.3Å; R1058-K1060 PolarHBondContact O-N 3.38Å; R1058-L1061 PolarHBondContact O-N 3.01Å; R1058-L1061 VanDerWaalsContact O-N 3.13Å; R1058-T1062 PolarHBondContact O-N 2.85Å; R1058-T1062 PolarHBondContact O-OG1 3.5Å; R1058-V1091 HydrophobicContact CB-CG1 3.91Å; R1058-V1091 HydrophobicContact CG-CG1 4.49Å; R1058-D1092 WeakPolarHBondContact CD-OD1 3.45Å; R1058-D1092 IonicContact CZ-OD1 3.63Å; R1058-D1092 IonicContact CZ-OD2 3.33Å; R1058-D1092 IonicContact NE-OD1 2.89Å; R1058-D1092 PolarHBondContact NE-OD1 3.19Å; R1058-D1092 IonicContact NE-OD2 3.14Å; R1058-D1092 PolarHBondContact NE-OD2 3.17Å; R1058-D1092 IonicContact NH2-OD1 3.69Å; R1058-D1092 IonicContact NH2-OD2 2.64Å; R1058-D1092 PolarHBondContact NH2-OD2 2.87Å |
| 1059 | T | 88.6 | Confident | 81.6 | Confident | 79 Ų | 79 | 89 Ų | 89 | 49% | 0.485 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.2 | -42.5 | 178.7 | -48.2 | 0 | 0 | 0 | 0 | 111.8 | E1055 T1062 N1063 | E1055-T1059 PolarHBondContact O-N 3.33Å; E1055-T1059 PolarHBondContact O-OG1 2.8Å; T1059-T1062 PolarHBondContact O-N 3.37Å; T1059-N1063 WeakPolarHBondContact O-CB 3.48Å; T1059-N1063 PolarHBondContact O-N 3.26Å; T1059-N1063 PolarHBondContact O-OD1 3.48Å |
| 1060 | K | 87.2 | Confident | 80.5 | Confident | 135 Ų | 135 | 86.7 Ų | 86.7 | 59% | 0.587 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.3 | -47 | 175.4 | -77.9 | -178.1 | 178.1 | -176.1 | 0 | 112.5 | R1056 K1057 R1058 N1063 W1064 | R1056-K1060 WeakPolarHBondContact O-CG 3.44Å; R1056-K1060 PolarHBondContact O-N 2.96Å; K1057-K1060 PolarHBondContact O-N 3.34Å; R1058-K1060 VanDerWaalsContact C-N 3.3Å; R1058-K1060 PolarHBondContact O-N 3.38Å; K1060-N1063 PolarHBondContact O-N 2.79Å; K1060-W1064 PolarHBondContact O-N 3.49Å |
| 1061 | L | 85.5 | Confident | 79.2 | Confident | 10 Ų | 10 | 92.1 Ų | 92.1 | 5% | 0.052 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 177.9 | -71.1 | 167.8 | 0 | 0 | 0 | 111.5 | K1057 R1058 N1063 W1064 M1065 Y1084 D1087 I1088 V1091 | K1057-L1061 HydrophobicContact CG-CD1 4.22Å; K1057-L1061 WeakPolarHBondContact O-CG 3.24Å; K1057-L1061 PolarHBondContact O-N 3.43Å; R1058-L1061 PolarHBondContact O-N 3.01Å; R1058-L1061 VanDerWaalsContact O-N 3.13Å; L1061-N1063 PolarHBondContact O-N 3.18Å; L1061-W1064 HydrophobicContact CD2-CE3 4.27Å; L1061-W1064 PolarHBondContact O-N 3.03Å; L1061-M1065 WeakPolarHBondContact O-CB 3.37Å; L1061-M1065 PolarHBondContact O-N 3.34Å; L1061-Y1084 HydrophobicContact CD2-CD1 3.88Å; L1061-Y1084 HydrophobicContact CD2-CE1 4.31Å; L1061-D1087 HydrophobicContact CD1-CB 3.93Å; L1061-D1087 HydrophobicContact CD2-CB 4.2Å; L1061-I1088 HydrophobicContact CB-CD1 4.17Å; L1061-I1088 HydrophobicContact CB-CG1 3.75Å; L1061-I1088 HydrophobicContact CD1-CG1 4.31Å; L1061-V1091 HydrophobicContact CD1-CG2 4.2Å |
| 1062 | T | 85.7 | Confident | 77.7 | Confident | 31 Ų | 31 | 93.9 Ų | 93.9 | 19% | 0.19 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 176.1 | -44.9 | 0 | 0 | 0 | 0 | 111.5 | R1058 T1059 M1065 Q1066 | R1058-T1062 PolarHBondContact O-N 2.85Å; R1058-T1062 PolarHBondContact O-OG1 3.5Å; T1059-T1062 PolarHBondContact O-N 3.37Å; T1062-M1065 HydrophobicContact CG2-CE 4.16Å; T1062-M1065 PolarHBondContact O-N 2.98Å; T1062-Q1066 WeakPolarHBondContact O-CG 3.32Å; T1062-Q1066 PolarHBondContact O-N 2.8Å |
| 1063 | N | 84.7 | Confident | 76.6 | Confident | 87 Ų | 87 | 92 Ų | 92 | 47% | 0.465 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 176.9 | -70.3 | -4.2 | 0 | 0 | 0 | 112 | T1059 K1060 L1061 Q1066 A1067 | T1059-N1063 WeakPolarHBondContact O-CB 3.48Å; T1059-N1063 PolarHBondContact O-N 3.26Å; T1059-N1063 PolarHBondContact O-OD1 3.48Å; K1060-N1063 PolarHBondContact O-N 2.79Å; L1061-N1063 PolarHBondContact O-N 3.18Å; N1063-Q1066 PolarHBondContact O-N 2.78Å; N1063-A1067 VanDerWaalsContact O-CB 3.27Å; N1063-A1067 WeakPolarHBondContact O-CB 3.13Å; N1063-A1067 PolarHBondContact O-N 3.26Å |
| 1064 | W | 78.2 | Confident | 75.9 | Confident | 142 Ų | 142 | 93 Ų | 93 | 54% | 0.538 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 176.4 | -74.4 | -13.7 | 0 | 0 | 0 | 112.8 | K1060 L1061 Q1066 K1068 Y1084 | K1060-W1064 PolarHBondContact O-N 3.49Å; L1061-W1064 HydrophobicContact CD2-CE3 4.27Å; L1061-W1064 PolarHBondContact O-N 3.03Å; W1064-Q1066 VanDerWaalsContact C-N 3.33Å; W1064-K1068 WeakPolarHBondContact O-CB 3.39Å; W1064-K1068 PolarHBondContact O-N 2.97Å; W1064-Y1084 HydrophobicContact CB-CE1 4.36Å; W1064-Y1084 HydrophobicContact CB-CE2 4.41Å; W1064-Y1084 HydrophobicContact CE3-CE1 4.01Å |
| 1065 | M | 78.6 | Confident | 75.1 | Confident | 25 Ų | 25 | 100.1 Ų | 100.1 | 12% | 0.123 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 173.7 | 177.5 | 177.1 | 43.3 | 0 | 0 | 111.6 | L1061 T1062 V1081 Y1084 L1085 I1088 | L1061-M1065 WeakPolarHBondContact O-CB 3.37Å; L1061-M1065 PolarHBondContact O-N 3.34Å; T1062-M1065 HydrophobicContact CG2-CE 4.16Å; T1062-M1065 PolarHBondContact O-N 2.98Å; M1065-V1081 HydrophobicContact CG-CG1 4.34Å; M1065-V1081 HydrophobicContact CG-CG2 4.36Å; M1065-V1081 HydrophobicContact SD-CG1 4.34Å; M1065-Y1084 HydrophobicContact CB-CD2 4.2Å; M1065-Y1084 HydrophobicContact CB-CG 4.43Å; M1065-L1085 HydrophobicContact SD-CD2 3.88Å; M1065-L1085 HydrophobicContact SD-CG 4.07Å; M1065-I1088 HydrophobicContact CE-CD1 3.37Å; M1065-I1088 HydrophobicContact SD-CD1 4.37Å |
| 1066 | Q | 76.4 | Confident | 74.2 | Confident | 124 Ų | 124 | 101.4 Ų | 101.4 | 58% | 0.579 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.6 | -46 | 176.6 | -72 | 178.2 | -3.9 | 0 | 0 | 112.3 | T1062 N1063 W1064 K1068 R1069 | T1062-Q1066 WeakPolarHBondContact O-CG 3.32Å; T1062-Q1066 PolarHBondContact O-N 2.8Å; N1063-Q1066 PolarHBondContact O-N 2.78Å; W1064-Q1066 VanDerWaalsContact C-N 3.33Å; Q1066-K1068 PolarHBondContact O-N 3.48Å; Q1066-R1069 PolarHBondContact O-N 3.31Å |
| 1067 | A | 69.4 | Low | 73.2 | Confident | 58 Ų | 58 | 94.5 Ų | 94.5 | 48% | 0.479 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.9 | -35.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1063 R1069 | N1063-A1067 VanDerWaalsContact O-CB 3.27Å; N1063-A1067 WeakPolarHBondContact O-CB 3.13Å; N1063-A1067 PolarHBondContact O-N 3.26Å; A1067-R1069 VanDerWaalsContact C-N 3.31Å; A1067-R1069 PolarHBondContact O-N 2.85Å |
| 1068 | K | 63.2 | Low | 72.6 | Confident | 74 Ų | 74 | 91.8 Ų | 91.8 | 32% | 0.322 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -78 | -8.1 | -178.2 | -81.9 | -166.1 | 178.2 | 169.3 | 0 | 115.2 | W1064 Q1066 L1070 K1080 Y1084 | W1064-K1068 WeakPolarHBondContact O-CB 3.39Å; W1064-K1068 PolarHBondContact O-N 2.97Å; Q1066-K1068 PolarHBondContact O-N 3.48Å; K1068-L1070 PolarHBondContact O-N 3.45Å; K1068-L1070 VanDerWaalsContact O-N 3.08Å; K1068-K1080 HydrophobicContact CD-CD 4.24Å; K1068-Y1084 HydrophobicContact CD-CE2 4.26Å; K1068-Y1084 PolarHBondContact NZ-OH 2.8Å |
| 1069 | R | 56.4 | Low | 71.9 | Confident | 191 Ų | 191 | 95.1 Ų | 95.1 | 72% | 0.721 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -62 | -12.4 | 171.3 | -78.2 | -175.8 | 175 | -177 | -1.9 | 113.4 | Q1066 A1067 | Q1066-R1069 PolarHBondContact O-N 3.31Å; A1067-R1069 VanDerWaalsContact C-N 3.31Å; A1067-R1069 PolarHBondContact O-N 2.85Å |
| 1070 | L | 57 | Low | 71.1 | Confident | 133 Ų | 133 | 94.7 Ų | 94.7 | 70% | 0.696 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -99.6 | -20.1 | -170.8 | -75.7 | 154.5 | 0 | 0 | 0 | 116.1 | K1068 | K1068-L1070 PolarHBondContact O-N 3.45Å; K1068-L1070 VanDerWaalsContact O-N 3.08Å |
| 1071 | H | 53.2 | Low | 70.7 | Confident | 168 Ų | 168 | 89.4 Ų | 89.4 | 78% | 0.778 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -140.2 | 20 | -162.6 | -64.1 | -52.8 | 0 | 0 | 0 | 116.4 | ||
| 1072 | V | 54.3 | Low | 70.4 | Confident | 49 Ų | 49 | 92.6 Ų | 92.6 | 30% | 0.297 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -136.8 | 151.6 | -179.1 | -161 | 0 | 0 | 0 | 0 | 109.5 | E1076 A1077 | V1072-E1076 HydrophobicContact CG1-CB 3.58Å; V1072-E1076 HydrophobicContact CG1-CG 4.47Å; V1072-E1076 WeakPolarHBondContact CG1-OE2 3.17Å; V1072-A1077 HydrophobicContact CB-CB 4.48Å |
| 1073 | S | 64.8 | Low | 70.1 | Confident | 62 Ų | 62 | 96.6 Ų | 96.6 | 43% | 0.434 | 49% | 0.488 | S | S | . | . | trans | -53.5 | 148 | 176.7 | 69.6 | 0 | 0 | 0 | 0 | 111.5 | E1075 E1076 A1077 | S1073-E1075 VanDerWaalsContact C-N 3.28Å; S1073-E1075 PolarHBondContact O-N 2.99Å; S1073-E1076 PolarHBondContact O-N 3.36Å; S1073-A1077 WeakPolarHBondContact O-CB 3.39Å; S1073-A1077 PolarHBondContact O-N 3.46Å | ||
| 1074 | P | 70.1 | Confident | 70 | Confident | 116 Ų | 116 | 93.7 Ų | 93.7 | 75% | 0.753 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -54.4 | -38.8 | -173.3 | -27.6 | 34.3 | 0 | 0 | 0 | 114.5 | A1078 | P1074-A1078 WeakPolarHBondContact O-CB 3.42Å; P1074-A1078 PolarHBondContact O-N 3.09Å |
| 1075 | E | 70.4 | Confident | 70.2 | Confident | 169 Ų | 169 | 91.2 Ų | 91.2 | 79% | 0.79 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -70.9 | -45 | 179.9 | -74.5 | -174.8 | 149.4 | 0 | 0 | 113.1 | S1073 A1077 A1078 K1079 | S1073-E1075 VanDerWaalsContact C-N 3.28Å; S1073-E1075 PolarHBondContact O-N 2.99Å; E1075-A1077 VanDerWaalsContact C-N 3.33Å; E1075-A1078 PolarHBondContact O-N 3.15Å; E1075-K1079 PolarHBondContact O-N 2.98Å |
| 1076 | E | 69.4 | Low | 70.3 | Confident | 106 Ų | 106 | 94.3 Ų | 94.3 | 50% | 0.495 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 176.5 | -78.9 | -167.3 | -174.2 | 0 | 0 | 111.8 | V1072 S1073 K1079 K1080 | V1072-E1076 HydrophobicContact CG1-CB 3.58Å; V1072-E1076 HydrophobicContact CG1-CG 4.47Å; V1072-E1076 WeakPolarHBondContact CG1-OE2 3.17Å; S1073-E1076 PolarHBondContact O-N 3.36Å; E1076-K1079 PolarHBondContact O-N 3.46Å; E1076-K1080 WeakPolarHBondContact O-CB 3.45Å; E1076-K1080 PolarHBondContact O-N 3.48Å; E1076-K1080 IonicContact OE2-NZ 2.7Å |
| 1077 | A | 68.2 | Low | 70.5 | Confident | 18 Ų | 18 | 91.2 Ų | 91.2 | 15% | 0.149 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -61 | -47.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V1072 S1073 E1075 K1079 K1080 V1081 | V1072-A1077 HydrophobicContact CB-CB 4.48Å; S1073-A1077 WeakPolarHBondContact O-CB 3.39Å; S1073-A1077 PolarHBondContact O-N 3.46Å; E1075-A1077 VanDerWaalsContact C-N 3.33Å; A1077-K1079 PolarHBondContact O-N 3.39Å; A1077-K1080 PolarHBondContact O-N 3.41Å; A1077-V1081 VanDerWaalsContact O-CB 3.29Å; A1077-V1081 WeakPolarHBondContact O-CB 3.46Å; A1077-V1081 WeakPolarHBondContact O-CG2 3.14Å; A1077-V1081 PolarHBondContact O-N 3.08Å |
| 1078 | A | 73.8 | Confident | 71.3 | Confident | 54 Ų | 54 | 89.1 Ų | 89.1 | 45% | 0.446 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.7 | -49.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1074 E1075 K1080 V1081 T1082 | P1074-A1078 WeakPolarHBondContact O-CB 3.42Å; P1074-A1078 PolarHBondContact O-N 3.09Å; E1075-A1078 PolarHBondContact O-N 3.15Å; A1078-K1080 PolarHBondContact O-N 2.97Å; A1078-V1081 PolarHBondContact O-N 3.22Å; A1078-T1082 PolarHBondContact O-N 2.97Å; A1078-T1082 PolarHBondContact O-OG1 3.05Å |
| 1079 | K | 74.1 | Confident | 72.3 | Confident | 167 Ų | 167 | 90.8 Ų | 90.8 | 73% | 0.726 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.6 | -43.6 | -178.6 | -154.6 | 176.4 | -172.2 | 177 | 0 | 112.4 | E1075 E1076 A1077 T1082 Q1083 | E1075-K1079 PolarHBondContact O-N 2.98Å; E1076-K1079 PolarHBondContact O-N 3.46Å; A1077-K1079 PolarHBondContact O-N 3.39Å; K1079-T1082 PolarHBondContact O-N 3.23Å; K1079-Q1083 PolarHBondContact O-N 3.36Å |
| 1080 | K | 73.3 | Confident | 73.4 | Confident | 70 Ų | 70 | 85.5 Ų | 85.5 | 30% | 0.304 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69 | -37.4 | 175.8 | -77.9 | 176.7 | -179.3 | 147.7 | 0 | 112.3 | K1068 E1076 A1077 A1078 Q1083 Y1084 | K1068-K1080 HydrophobicContact CD-CD 4.24Å; E1076-K1080 WeakPolarHBondContact O-CB 3.45Å; E1076-K1080 PolarHBondContact O-N 3.48Å; E1076-K1080 IonicContact OE2-NZ 2.7Å; A1077-K1080 PolarHBondContact O-N 3.41Å; A1078-K1080 PolarHBondContact O-N 2.97Å; K1080-Q1083 PolarHBondContact O-N 3.34Å; K1080-Y1084 HydrophobicContact CB-CD2 4.47Å; K1080-Y1084 HydrophobicContact CB-CE2 4.15Å; K1080-Y1084 WeakPolarHBondContact O-CD2 3.41Å; K1080-Y1084 PolarHBondContact O-N 3.48Å |
| 1081 | V | 78.3 | Confident | 74.6 | Confident | 24 Ų | 24 | 79.2 Ų | 79.2 | 15% | 0.145 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 174.9 | 168.2 | 0 | 0 | 0 | 0 | 110.4 | M1065 A1077 A1078 Q1083 Y1084 L1085 | M1065-V1081 HydrophobicContact CG-CG1 4.34Å; M1065-V1081 HydrophobicContact CG-CG2 4.36Å; M1065-V1081 HydrophobicContact SD-CG1 4.34Å; A1077-V1081 VanDerWaalsContact O-CB 3.29Å; A1077-V1081 WeakPolarHBondContact O-CB 3.46Å; A1077-V1081 WeakPolarHBondContact O-CG2 3.14Å; A1077-V1081 PolarHBondContact O-N 3.08Å; A1078-V1081 PolarHBondContact O-N 3.22Å; V1081-Q1083 VanDerWaalsContact C-N 3.31Å; V1081-Q1083 PolarHBondContact O-N 3.43Å; V1081-Y1084 PolarHBondContact O-N 3.11Å; V1081-L1085 HydrophobicContact CG1-CD1 4.07Å; V1081-L1085 HydrophobicContact CG1-CG 4.43Å; V1081-L1085 WeakPolarHBondContact O-CB 3.41Å; V1081-L1085 WeakPolarHBondContact O-CG 3.43Å; V1081-L1085 PolarHBondContact O-N 3.32Å |
| 1082 | T | 78.7 | Confident | 76.1 | Confident | 77 Ų | 77 | 73.8 Ų | 73.8 | 47% | 0.472 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 174 | -49.4 | 0 | 0 | 0 | 0 | 111.4 | A1078 K1079 L1085 N1086 | A1078-T1082 PolarHBondContact O-N 2.97Å; A1078-T1082 PolarHBondContact O-OG1 3.05Å; K1079-T1082 PolarHBondContact O-N 3.23Å; T1082-L1085 PolarHBondContact O-N 2.95Å; T1082-N1086 PolarHBondContact O-N 2.87Å |
| 1083 | Q | 79.5 | Confident | 77.3 | Confident | 115 Ų | 115 | 76.8 Ų | 76.8 | 54% | 0.537 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62 | -46.7 | 175.5 | -171.5 | 174.7 | 10.9 | 0 | 0 | 112 | K1079 K1080 V1081 L1085 N1086 D1087 | K1079-Q1083 PolarHBondContact O-N 3.36Å; K1080-Q1083 PolarHBondContact O-N 3.34Å; V1081-Q1083 VanDerWaalsContact C-N 3.31Å; V1081-Q1083 PolarHBondContact O-N 3.43Å; Q1083-L1085 VanDerWaalsContact C-N 3.31Å; Q1083-L1085 PolarHBondContact O-N 3.08Å; Q1083-N1086 PolarHBondContact O-N 3.24Å; Q1083-D1087 PolarHBondContact O-N 2.98Å |
| 1084 | Y | 81.9 | Confident | 78 | Confident | 26 Ų | 26 | 78.2 Ų | 78.2 | 10% | 0.102 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.9 | -34.4 | 176.4 | -68.1 | -47.7 | 0 | 0 | 0 | 112.7 | L1061 W1064 M1065 K1068 K1080 V1081 D1087 I1088 | L1061-Y1084 HydrophobicContact CD2-CD1 3.88Å; L1061-Y1084 HydrophobicContact CD2-CE1 4.31Å; W1064-Y1084 HydrophobicContact CB-CE1 4.36Å; W1064-Y1084 HydrophobicContact CB-CE2 4.41Å; W1064-Y1084 HydrophobicContact CE3-CE1 4.01Å; M1065-Y1084 HydrophobicContact CB-CD2 4.2Å; M1065-Y1084 HydrophobicContact CB-CG 4.43Å; K1068-Y1084 HydrophobicContact CD-CE2 4.26Å; K1068-Y1084 PolarHBondContact NZ-OH 2.8Å; K1080-Y1084 HydrophobicContact CB-CD2 4.47Å; K1080-Y1084 HydrophobicContact CB-CE2 4.15Å; K1080-Y1084 WeakPolarHBondContact O-CD2 3.41Å; K1080-Y1084 PolarHBondContact O-N 3.48Å; V1081-Y1084 PolarHBondContact O-N 3.11Å; Y1084-D1087 PolarHBondContact O-N 2.81Å; Y1084-I1088 WeakPolarHBondContact O-CB 3.45Å; Y1084-I1088 WeakPolarHBondContact O-CD1 3.41Å; Y1084-I1088 WeakPolarHBondContact O-CG1 3.4Å; Y1084-I1088 PolarHBondContact O-N 3.07Å |
| 1085 | L | 82.5 | Confident | 78.5 | Confident | 89 Ų | 89 | 72.9 Ų | 72.9 | 47% | 0.466 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 174.2 | -76.6 | 169.8 | 0 | 0 | 0 | 111.4 | M1065 V1081 T1082 Q1083 D1087 I1088 Q1089 | M1065-L1085 HydrophobicContact SD-CD2 3.88Å; M1065-L1085 HydrophobicContact SD-CG 4.07Å; V1081-L1085 HydrophobicContact CG1-CD1 4.07Å; V1081-L1085 HydrophobicContact CG1-CG 4.43Å; V1081-L1085 WeakPolarHBondContact O-CB 3.41Å; V1081-L1085 WeakPolarHBondContact O-CG 3.43Å; V1081-L1085 PolarHBondContact O-N 3.32Å; T1082-L1085 PolarHBondContact O-N 2.95Å; Q1083-L1085 VanDerWaalsContact C-N 3.31Å; Q1083-L1085 PolarHBondContact O-N 3.08Å; L1085-D1087 VanDerWaalsContact C-N 3.34Å; L1085-D1087 PolarHBondContact O-N 3.24Å; L1085-I1088 PolarHBondContact O-N 3.47Å; L1085-Q1089 WeakPolarHBondContact O-CB 3.48Å; L1085-Q1089 PolarHBondContact O-N 2.61Å |
| 1086 | N | 80.9 | Confident | 79.1 | Confident | 90 Ų | 90 | 68.3 Ų | 68.3 | 48% | 0.481 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 175.6 | -69.7 | -13.2 | 0 | 0 | 0 | 111.8 | T1082 Q1083 Q1089 T1090 | T1082-N1086 PolarHBondContact O-N 2.87Å; Q1083-N1086 PolarHBondContact O-N 3.24Å; N1086-Q1089 PolarHBondContact O-N 3.45Å; N1086-T1090 PolarHBondContact O-N 3.25Å; N1086-T1090 PolarHBondContact O-OG1 2.92Å |
| 1087 | D | 82 | Confident | 79.5 | Confident | 59 Ų | 59 | 65.5 Ų | 65.5 | 32% | 0.316 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.3 | -36.5 | 175.7 | -71.2 | -16.3 | 0 | 0 | 0 | 112 | L1061 Q1083 Y1084 L1085 T1090 V1091 | L1061-D1087 HydrophobicContact CD1-CB 3.93Å; L1061-D1087 HydrophobicContact CD2-CB 4.2Å; Q1083-D1087 PolarHBondContact O-N 2.98Å; Y1084-D1087 PolarHBondContact O-N 2.81Å; L1085-D1087 VanDerWaalsContact C-N 3.34Å; L1085-D1087 PolarHBondContact O-N 3.24Å; D1087-T1090 WeakPolarHBondContact CA-OG1 3.24Å; D1087-T1090 PolarHBondContact O-OG1 3.39Å; D1087-V1091 VanDerWaalsContact O-CG2 3.25Å; D1087-V1091 WeakPolarHBondContact O-CG2 3.27Å; D1087-V1091 PolarHBondContact O-N 3.02Å; D1087-V1091 VanDerWaalsContact O-N 3.16Å |
| 1088 | I | 85.6 | Confident | 80 | Confident | 15 Ų | 15 | 65 Ų | 65 | 8% | 0.077 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.9 | -43.4 | 175.4 | -73.1 | 165.5 | 0 | 0 | 0 | 110.4 | L1061 M1065 Y1084 L1085 T1090 V1091 D1092 | L1061-I1088 HydrophobicContact CB-CD1 4.17Å; L1061-I1088 HydrophobicContact CB-CG1 3.75Å; L1061-I1088 HydrophobicContact CD1-CG1 4.31Å; M1065-I1088 HydrophobicContact CE-CD1 3.37Å; M1065-I1088 HydrophobicContact SD-CD1 4.37Å; Y1084-I1088 WeakPolarHBondContact O-CB 3.45Å; Y1084-I1088 WeakPolarHBondContact O-CD1 3.41Å; Y1084-I1088 WeakPolarHBondContact O-CG1 3.4Å; Y1084-I1088 PolarHBondContact O-N 3.07Å; L1085-I1088 PolarHBondContact O-N 3.47Å; I1088-T1090 PolarHBondContact O-N 3.24Å; I1088-V1091 PolarHBondContact O-N 2.85Å; I1088-D1092 WeakPolarHBondContact O-CB 3.31Å; I1088-D1092 PolarHBondContact O-N 3.11Å |
| 1089 | Q | 83.5 | Confident | 80.4 | Confident | 109 Ų | 109 | 67.2 Ų | 67.2 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 178.5 | -175.1 | 178.9 | -13 | 0 | 0 | 111.4 | L1085 N1086 V1091 D1092 E1093 | L1085-Q1089 WeakPolarHBondContact O-CB 3.48Å; L1085-Q1089 PolarHBondContact O-N 2.61Å; N1086-Q1089 PolarHBondContact O-N 3.45Å; Q1089-V1091 VanDerWaalsContact C-N 3.34Å; Q1089-V1091 PolarHBondContact O-N 3.25Å; Q1089-D1092 PolarHBondContact O-N 3.39Å; Q1089-E1093 PolarHBondContact NE2-OE1 3.26Å; Q1089-E1093 WeakPolarHBondContact O-CG 3.41Å; Q1089-E1093 PolarHBondContact O-N 3.29Å |
| 1090 | T | 79.5 | Confident | 80.5 | Confident | 79 Ų | 79 | 63.6 Ų | 63.6 | 49% | 0.485 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 175.8 | 37.5 | 0 | 0 | 0 | 0 | 112.5 | N1086 D1087 I1088 E1094 | N1086-T1090 PolarHBondContact O-N 3.25Å; N1086-T1090 PolarHBondContact O-OG1 2.92Å; D1087-T1090 WeakPolarHBondContact CA-OG1 3.24Å; D1087-T1090 PolarHBondContact O-OG1 3.39Å; I1088-T1090 PolarHBondContact O-N 3.24Å; T1090-E1094 WeakPolarHBondContact O-CB 3.29Å; T1090-E1094 PolarHBondContact O-N 2.78Å; T1090-E1094 VanDerWaalsContact O-N 3.12Å |
| 1091 | V | 83 | Confident | 80.6 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 173.9 | 171 | 0 | 0 | 0 | 0 | 111.7 | L1054 K1057 R1058 L1061 D1087 I1088 Q1089 E1094 M1095 | L1054-V1091 HydrophobicContact CB-CG1 4.29Å; L1054-V1091 HydrophobicContact CD2-CG1 4.39Å; K1057-V1091 HydrophobicContact CD-CG2 4Å; K1057-V1091 HydrophobicContact CG-CG2 4.43Å; R1058-V1091 HydrophobicContact CB-CG1 3.91Å; R1058-V1091 HydrophobicContact CG-CG1 4.49Å; L1061-V1091 HydrophobicContact CD1-CG2 4.2Å; D1087-V1091 VanDerWaalsContact O-CG2 3.25Å; D1087-V1091 WeakPolarHBondContact O-CG2 3.27Å; D1087-V1091 PolarHBondContact O-N 3.02Å; D1087-V1091 VanDerWaalsContact O-N 3.16Å; I1088-V1091 PolarHBondContact O-N 2.85Å; Q1089-V1091 VanDerWaalsContact C-N 3.34Å; Q1089-V1091 PolarHBondContact O-N 3.25Å; V1091-E1094 PolarHBondContact O-N 2.88Å; V1091-M1095 HydrophobicContact CG1-CG 4.35Å; V1091-M1095 HydrophobicContact CG1-SD 4.01Å; V1091-M1095 WeakPolarHBondContact O-CB 3.41Å; V1091-M1095 VanDerWaalsContact O-CG 3.3Å; V1091-M1095 WeakPolarHBondContact O-CG 3.3Å; V1091-M1095 PolarHBondContact O-N 3.4Å |
| 1092 | D | 84.9 | Confident | 80.4 | Confident | 54 Ų | 54 | 63.8 Ų | 63.8 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | 179 | -81.2 | -16.8 | 0 | 0 | 0 | 111.9 | R1058 I1088 Q1089 M1095 E1096 | R1058-D1092 WeakPolarHBondContact CD-OD1 3.45Å; R1058-D1092 IonicContact CZ-OD1 3.63Å; R1058-D1092 IonicContact CZ-OD2 3.33Å; R1058-D1092 IonicContact NE-OD1 2.89Å; R1058-D1092 PolarHBondContact NE-OD1 3.19Å; R1058-D1092 IonicContact NE-OD2 3.14Å; R1058-D1092 PolarHBondContact NE-OD2 3.17Å; R1058-D1092 IonicContact NH2-OD1 3.69Å; R1058-D1092 IonicContact NH2-OD2 2.64Å; R1058-D1092 PolarHBondContact NH2-OD2 2.87Å; I1088-D1092 WeakPolarHBondContact O-CB 3.31Å; I1088-D1092 PolarHBondContact O-N 3.11Å; Q1089-D1092 PolarHBondContact O-N 3.39Å; D1092-M1095 PolarHBondContact O-N 2.9Å; D1092-E1096 WeakPolarHBondContact O-CB 3.5Å; D1092-E1096 PolarHBondContact O-N 3.44Å |
| 1093 | E | 79.2 | Confident | 80.1 | Confident | 112 Ų | 112 | 66.8 Ų | 66.8 | 52% | 0.523 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 173.6 | -73.6 | 172.8 | -170.7 | 0 | 0 | 112 | Q1089 E1096 K1097 | Q1089-E1093 PolarHBondContact NE2-OE1 3.26Å; Q1089-E1093 WeakPolarHBondContact O-CG 3.41Å; Q1089-E1093 PolarHBondContact O-N 3.29Å; E1093-E1096 PolarHBondContact O-N 3Å; E1093-K1097 WeakPolarHBondContact O-CB 3.34Å; E1093-K1097 PolarHBondContact O-N 3.29Å |
| 1094 | E | 78.4 | Confident | 79.4 | Confident | 92 Ų | 92 | 64.2 Ų | 64.2 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.2 | -40.2 | 177.5 | -163.2 | 169 | -164.3 | 0 | 0 | 111.8 | L1054 T1090 V1091 K1097 L1098 | L1054-E1094 HydrophobicContact CD1-CB 4.23Å; L1054-E1094 HydrophobicContact CD1-CG 3.92Å; T1090-E1094 WeakPolarHBondContact O-CB 3.29Å; T1090-E1094 PolarHBondContact O-N 2.78Å; T1090-E1094 VanDerWaalsContact O-N 3.12Å; V1091-E1094 PolarHBondContact O-N 2.88Å; E1094-K1097 WeakPolarHBondContact O-CB 3.29Å; E1094-K1097 PolarHBondContact O-N 2.82Å; E1094-L1098 PolarHBondContact O-N 3.47Å |
| 1095 | M | 82.2 | Confident | 78.6 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 173.5 | -76.5 | 179.8 | 53.4 | 0 | 0 | 112.2 | L1051 L1054 E1055 V1091 D1092 K1097 L1098 R1099 | L1051-M1095 HydrophobicContact CD2-CB 4.16Å; L1051-M1095 HydrophobicContact CD2-CG 4.24Å; L1054-M1095 HydrophobicContact CB-CG 3.61Å; L1054-M1095 HydrophobicContact CB-SD 4.08Å; L1054-M1095 HydrophobicContact CD1-CG 3.98Å; L1054-M1095 HydrophobicContact CG-CG 4.44Å; E1055-M1095 HydrophobicContact CG-CE 3.31Å; E1055-M1095 HydrophobicContact CG-SD 4Å; V1091-M1095 HydrophobicContact CG1-CG 4.35Å; V1091-M1095 HydrophobicContact CG1-SD 4.01Å; V1091-M1095 WeakPolarHBondContact O-CB 3.41Å; V1091-M1095 VanDerWaalsContact O-CG 3.3Å; V1091-M1095 WeakPolarHBondContact O-CG 3.3Å; V1091-M1095 PolarHBondContact O-N 3.4Å; D1092-M1095 PolarHBondContact O-N 2.9Å; M1095-K1097 VanDerWaalsContact C-N 3.31Å; M1095-K1097 PolarHBondContact O-N 2.82Å; M1095-L1098 PolarHBondContact O-N 3.07Å; M1095-R1099 VanDerWaalsContact CE-NH2 3.26Å; M1095-R1099 WeakPolarHBondContact O-CB 3.45Å; M1095-R1099 WeakPolarHBondContact O-CG 3.39Å; M1095-R1099 PolarHBondContact O-N 3.43Å |
| 1096 | E | 83 | Confident | 77.9 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.7 | -36.7 | 179 | -175.6 | 53.4 | -145.5 | 0 | 0 | 111.5 | D1092 E1093 R1099 R1100 R1103 | D1092-E1096 WeakPolarHBondContact O-CB 3.5Å; D1092-E1096 PolarHBondContact O-N 3.44Å; E1093-E1096 PolarHBondContact O-N 3Å; E1096-R1099 PolarHBondContact O-N 3.32Å; E1096-R1100 WeakPolarHBondContact O-CB 3.47Å; E1096-R1100 WeakPolarHBondContact O-CG 3.37Å; E1096-R1100 PolarHBondContact O-N 3.28Å; E1096-R1100 PolarHBondContact O-NE 3.34Å; E1096-R1103 IonicContact OE1-NH2 2.68Å; E1096-R1103 PolarHBondContact OE1-NH2 3.11Å |
| 1097 | K | 77.6 | Confident | 76.9 | Confident | 47 Ų | 47 | 67.8 Ų | 67.8 | 20% | 0.204 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.3 | -51 | 171.3 | -177.8 | -178.5 | 176.6 | -175.8 | 0 | 111.7 | E1093 E1094 M1095 R1099 R1100 F1101 | E1093-K1097 WeakPolarHBondContact O-CB 3.34Å; E1093-K1097 PolarHBondContact O-N 3.29Å; E1094-K1097 WeakPolarHBondContact O-CB 3.29Å; E1094-K1097 PolarHBondContact O-N 2.82Å; M1095-K1097 VanDerWaalsContact C-N 3.31Å; M1095-K1097 PolarHBondContact O-N 2.82Å; K1097-R1099 PolarHBondContact O-N 3.48Å; K1097-R1100 PolarHBondContact O-N 3Å; K1097-F1101 HydrophobicContact CD-CZ 4.32Å; K1097-F1101 HydrophobicContact CG-CE1 3.99Å; K1097-F1101 HydrophobicContact CG-CE2 4.17Å; K1097-F1101 HydrophobicContact CG-CZ 3.83Å; K1097-F1101 WeakPolarHBondContact O-CD1 3.5Å; K1097-F1101 WeakPolarHBondContact O-CG 3.41Å; K1097-F1101 PolarHBondContact O-N 3.23Å |
| 1098 | L | 77.7 | Confident | 75.6 | Confident | 9 Ų | 9 | 69.1 Ų | 69.1 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 178.5 | -75.6 | 171.1 | 0 | 0 | 0 | 112.7 | F1047 Q1050 L1051 L1054 E1094 M1095 F1101 R1102 | F1047-L1098 HydrophobicContact CD1-CD2 3.71Å; F1047-L1098 HydrophobicContact CE1-CD2 4.1Å; F1047-L1098 HydrophobicContact CG-CD2 4.26Å; Q1050-L1098 HydrophobicContact CB-CD1 3.84Å; L1051-L1098 HydrophobicContact CD1-CB 4.35Å; L1051-L1098 HydrophobicContact CD2-CB 3.77Å; L1051-L1098 HydrophobicContact CD2-CD1 4.3Å; L1051-L1098 HydrophobicContact CG-CB 3.94Å; L1051-L1098 HydrophobicContact CG-CD1 4.3Å; L1054-L1098 HydrophobicContact CD1-CD1 3.66Å; E1094-L1098 PolarHBondContact O-N 3.47Å; M1095-L1098 PolarHBondContact O-N 3.07Å; L1098-F1101 PolarHBondContact O-N 2.83Å; L1098-R1102 WeakPolarHBondContact O-CB 3.46Å; L1098-R1102 PolarHBondContact O-N 3.08Å |
| 1099 | R | 82.3 | Confident | 74.4 | Confident | 100 Ų | 100 | 70.2 Ų | 70.2 | 38% | 0.377 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 175.6 | -75.8 | 175.4 | 179.3 | 167.9 | -0.6 | 112.2 | L1051 E1055 M1095 E1096 K1097 R1103 | L1051-R1099 HydrophobicContact CD1-CG 4Å; L1051-R1099 HydrophobicContact CD2-CG 3.88Å; E1055-R1099 IonicContact OE1-CZ 3.08Å; E1055-R1099 IonicContact OE1-NH2 2.68Å; E1055-R1099 PolarHBondContact OE1-NH2 3.23Å; M1095-R1099 VanDerWaalsContact CE-NH2 3.26Å; M1095-R1099 WeakPolarHBondContact O-CB 3.45Å; M1095-R1099 WeakPolarHBondContact O-CG 3.39Å; M1095-R1099 PolarHBondContact O-N 3.43Å; E1096-R1099 PolarHBondContact O-N 3.32Å; K1097-R1099 PolarHBondContact O-N 3.48Å; R1099-R1103 WeakPolarHBondContact O-CG 3.19Å; R1099-R1103 PolarHBondContact O-N 3.31Å |
| 1100 | R | 76.7 | Confident | 73.6 | Confident | 91 Ų | 91 | 68.2 Ų | 68.2 | 34% | 0.343 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.1 | -50.6 | 172.6 | -77.6 | -176.6 | -70.9 | -174.9 | -2.2 | 111.4 | E1096 K1097 R1102 R1103 D1104 | E1096-R1100 WeakPolarHBondContact O-CB 3.47Å; E1096-R1100 WeakPolarHBondContact O-CG 3.37Å; E1096-R1100 PolarHBondContact O-N 3.28Å; E1096-R1100 PolarHBondContact O-NE 3.34Å; K1097-R1100 PolarHBondContact O-N 3Å; R1100-R1102 PolarHBondContact O-N 3.29Å; R1100-R1103 PolarHBondContact O-N 3.33Å; R1100-D1104 PolarHBondContact O-N 3.49Å |
| 1101 | F | 74.1 | Confident | 72.9 | Confident | 5 Ų | 5 | 70.7 Ų | 70.7 | 2% | 0.022 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.1 | -40.5 | 178.5 | -70.3 | 6.4 | 0 | 0 | 0 | 111.8 | L965 I1021 M1022 L1023 F1047 K1097 L1098 L1105 | L965-F1101 HydrophobicContact CD1-CE2 3.94Å; I1021-F1101 HydrophobicContact CD1-CB 4.28Å; I1021-F1101 HydrophobicContact CD1-CD2 4.41Å; I1021-F1101 HydrophobicContact CD1-CG 4.39Å; I1021-F1101 HydrophobicContact CG2-CB 3.99Å; I1021-F1101 HydrophobicContact CG2-CD1 3.1Å; I1021-F1101 HydrophobicContact CG2-CD2 3.72Å; I1021-F1101 HydrophobicContact CG2-CE1 3.31Å; I1021-F1101 HydrophobicContact CG2-CE2 3.88Å; I1021-F1101 HydrophobicContact CG2-CG 3.32Å; I1021-F1101 HydrophobicContact CG2-CZ 3.67Å; M1022-F1101 WeakPolarHBondContact O-CE1 3.41Å; L1023-F1101 HydrophobicContact CD1-CZ 4.46Å; F1047-F1101 HydrophobicContact CD2-CB 4.33Å; F1047-F1101 HydrophobicContact CE2-CB 3.81Å; F1047-F1101 HydrophobicContact CZ-CB 4.28Å; F1047-F1101 HydrophobicContact CZ-CD2 4.21Å; K1097-F1101 HydrophobicContact CD-CZ 4.32Å; K1097-F1101 HydrophobicContact CG-CE1 3.99Å; K1097-F1101 HydrophobicContact CG-CE2 4.17Å; K1097-F1101 HydrophobicContact CG-CZ 3.83Å; K1097-F1101 WeakPolarHBondContact O-CD1 3.5Å; K1097-F1101 WeakPolarHBondContact O-CG 3.41Å; K1097-F1101 PolarHBondContact O-N 3.23Å; L1098-F1101 PolarHBondContact O-N 2.83Å; F1101-L1105 PolarHBondContact O-N 3.05Å |
| 1102 | R | 75.2 | Confident | 72 | Confident | 92 Ų | 92 | 71.4 Ų | 71.4 | 35% | 0.347 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 174 | -175 | -175.8 | -177.9 | -85.2 | 1.1 | 112.5 | L1044 D1048 L1098 R1100 H1106 | L1044-R1102 HydrophobicContact CD2-CG 3.92Å; D1048-R1102 WeakPolarHBondContact OD1-CD 3.14Å; D1048-R1102 IonicContact OD1-CZ 3.65Å; D1048-R1102 IonicContact OD1-NE 3.05Å; D1048-R1102 PolarHBondContact OD1-NE 3.46Å; D1048-R1102 IonicContact OD1-NH2 2.6Å; L1098-R1102 WeakPolarHBondContact O-CB 3.46Å; L1098-R1102 PolarHBondContact O-N 3.08Å; R1100-R1102 PolarHBondContact O-N 3.29Å; R1102-H1106 VanDerWaalsContact O-CB 3.27Å; R1102-H1106 WeakPolarHBondContact O-CB 3.47Å; R1102-H1106 PolarHBondContact O-N 2.87Å; R1102-H1106 VanDerWaalsContact O-N 3.08Å |
| 1103 | R | 71.5 | Confident | 71.4 | Confident | 140 Ų | 140 | 73.6 Ų | 73.6 | 53% | 0.528 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 179.7 | -80.5 | -173.4 | -75.9 | 165.1 | -9 | 112.1 | E1096 R1099 R1100 L1105 H1106 R1107 | E1096-R1103 IonicContact OE1-NH2 2.68Å; E1096-R1103 PolarHBondContact OE1-NH2 3.11Å; R1099-R1103 WeakPolarHBondContact O-CG 3.19Å; R1099-R1103 PolarHBondContact O-N 3.31Å; R1100-R1103 PolarHBondContact O-N 3.33Å; R1103-L1105 PolarHBondContact O-N 3.18Å; R1103-H1106 PolarHBondContact O-N 3.24Å; R1103-H1106 VanDerWaalsContact O-N 3.17Å; R1103-R1107 PolarHBondContact O-N 3.44Å |
| 1104 | D | 64.9 | Low | 71.2 | Confident | 61 Ų | 61 | 74.7 Ų | 74.7 | 33% | 0.326 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | -177.6 | -66.7 | -15.8 | 0 | 0 | 0 | 111.4 | R1100 H1106 | R1100-D1104 PolarHBondContact O-N 3.49Å; D1104-H1106 VanDerWaalsContact C-N 3.33Å; D1104-H1106 PolarHBondContact O-N 2.76Å |
| 1105 | L | 65.5 | Low | 71.3 | Confident | 9 Ų | 9 | 74.2 Ų | 74.2 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.5 | -31.3 | 176.5 | -133.1 | 80 | 0 | 0 | 0 | 112.9 | I1021 L1035 Y1040 V1043 L1044 F1101 R1103 | I1021-L1105 HydrophobicContact CD1-CD1 4.2Å; I1021-L1105 HydrophobicContact CG1-CD1 3.91Å; L1035-L1105 HydrophobicContact CD1-CD1 3.94Å; Y1040-L1105 HydrophobicContact CD1-CD1 4.37Å; Y1040-L1105 HydrophobicContact CD1-CD2 3.89Å; Y1040-L1105 HydrophobicContact CD1-CG 4.06Å; V1043-L1105 HydrophobicContact CG1-CD2 4.43Å; L1044-L1105 HydrophobicContact CD1-CD2 4.49Å; L1044-L1105 HydrophobicContact CD2-CB 4.17Å; L1044-L1105 HydrophobicContact CD2-CD2 4.2Å; L1044-L1105 HydrophobicContact CG-CD2 3.95Å; F1101-L1105 PolarHBondContact O-N 3.05Å; R1103-L1105 PolarHBondContact O-N 3.18Å |
| 1106 | H | 67.4 | Low | 71.5 | Confident | 77 Ų | 77 | 74.2 Ų | 74.2 | 36% | 0.356 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -73.6 | -37.1 | -174.6 | -166.1 | 65.3 | 0 | 0 | 0 | 113.1 | R1102 R1103 D1104 H1108 H1109 E1110 | R1102-H1106 VanDerWaalsContact O-CB 3.27Å; R1102-H1106 WeakPolarHBondContact O-CB 3.47Å; R1102-H1106 PolarHBondContact O-N 2.87Å; R1102-H1106 VanDerWaalsContact O-N 3.08Å; R1103-H1106 PolarHBondContact O-N 3.24Å; R1103-H1106 VanDerWaalsContact O-N 3.17Å; D1104-H1106 VanDerWaalsContact C-N 3.33Å; D1104-H1106 PolarHBondContact O-N 2.76Å; H1106-H1108 PolarHBondContact O-N 2.93Å; H1106-H1109 PolarHBondContact O-N 3.38Å; H1106-E1110 IonicContact CE1-OE1 2.83Å; H1106-E1110 IonicContact NE2-OE1 3.34Å; H1106-E1110 PolarHBondContact O-N 2.82Å |
| 1107 | R | 60.3 | Low | 71.6 | Confident | 195 Ų | 195 | 72.3 Ų | 72.3 | 74% | 0.736 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.1 | -42.6 | -173.4 | -157.2 | -179.3 | -133.9 | 171 | 2.6 | 113.3 | R1103 H1111 | R1103-R1107 PolarHBondContact O-N 3.44Å; R1107-H1111 PolarHBondContact O-CD2 3.22Å; R1107-H1111 VanDerWaalsContact O-CD2 3.31Å |
| 1108 | H | 54.8 | Low | 72.1 | Confident | 87 Ų | 87 | 75.5 Ų | 75.5 | 40% | 0.403 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -73.3 | -32.5 | 177.8 | -77.1 | -72.2 | 0 | 0 | 0 | 113.3 | H1106 | H1106-H1108 PolarHBondContact O-N 2.93Å |
| 1109 | H | 61.4 | Low | 72.7 | Confident | 38 Ų | 38 | 76.1 Ų | 76.1 | 18% | 0.176 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.3 | -34.7 | -178.9 | -166.4 | 79.7 | 0 | 0 | 0 | 112.5 | H1106 K1113 | H1106-H1109 PolarHBondContact O-N 3.38Å; H1109-K1113 VanDerWaalsContact O-CB 3.24Å; H1109-K1113 WeakPolarHBondContact O-CB 3.19Å; H1109-K1113 PolarHBondContact O-N 3.15Å; H1109-K1113 VanDerWaalsContact O-N 3.15Å |
| 1110 | E | 66.3 | Low | 73.1 | Confident | 67 Ų | 67 | 73.7 Ų | 73.7 | 31% | 0.313 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -71 | -40.9 | -177.6 | -80.4 | -61.6 | 140.4 | 0 | 0 | 113.3 | H1106 A1112 K1113 M1114 | H1106-E1110 IonicContact CE1-OE1 2.83Å; H1106-E1110 IonicContact NE2-OE1 3.34Å; H1106-E1110 PolarHBondContact O-N 2.82Å; E1110-A1112 PolarHBondContact O-N 3.13Å; E1110-K1113 PolarHBondContact O-N 3.41Å; E1110-K1113 IonicContact OE1-NZ 3.67Å; E1110-K1113 PolarHBondContact OE1-NZ 3.44Å; E1110-K1113 IonicContact OE2-NZ 2.81Å; E1110-M1114 WeakPolarHBondContact O-CB 3.33Å; E1110-M1114 PolarHBondContact O-N 3.39Å |
| 1111 | H | 63.9 | Low | 73.7 | Confident | 130 Ų | 130 | 73.8 Ų | 73.8 | 60% | 0.602 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.9 | -46 | 178.1 | -74.5 | -67.9 | 0 | 0 | 0 | 112.8 | R1107 K1113 M1114 L1115 | R1107-H1111 PolarHBondContact O-CD2 3.22Å; R1107-H1111 VanDerWaalsContact O-CD2 3.31Å; H1111-K1113 VanDerWaalsContact C-N 3.31Å; H1111-K1113 PolarHBondContact O-N 3.04Å; H1111-M1114 PolarHBondContact O-N 2.84Å; H1111-L1115 WeakPolarHBondContact O-CB 3.16Å; H1111-L1115 PolarHBondContact O-N 2.89Å |
| 1112 | A | 65.5 | Low | 74.5 | Confident | 16 Ų | 16 | 76.9 Ų | 76.9 | 13% | 0.132 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.5 | -30.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1110 L1116 L1230 | E1110-A1112 PolarHBondContact O-N 3.13Å; A1112-L1116 WeakPolarHBondContact O-CB 3.4Å; A1112-L1116 PolarHBondContact O-N 2.67Å; A1112-L1230 HydrophobicContact CB-CD2 3.36Å; A1112-L1230 HydrophobicContact CB-CG 3.82Å |
| 1113 | K | 71 | Confident | 75.2 | Confident | 100 Ų | 100 | 72.5 Ų | 72.5 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.1 | -40.5 | 174.7 | -178.4 | -177.7 | 165.2 | -160.4 | 0 | 111.5 | H1109 E1110 H1111 L1116 G1117 L1230 | H1109-K1113 VanDerWaalsContact O-CB 3.24Å; H1109-K1113 WeakPolarHBondContact O-CB 3.19Å; H1109-K1113 PolarHBondContact O-N 3.15Å; H1109-K1113 VanDerWaalsContact O-N 3.15Å; E1110-K1113 PolarHBondContact O-N 3.41Å; E1110-K1113 IonicContact OE1-NZ 3.67Å; E1110-K1113 PolarHBondContact OE1-NZ 3.44Å; E1110-K1113 IonicContact OE2-NZ 2.81Å; H1111-K1113 VanDerWaalsContact C-N 3.31Å; H1111-K1113 PolarHBondContact O-N 3.04Å; K1113-L1116 PolarHBondContact O-N 3.03Å; K1113-G1117 PolarHBondContact O-N 3.42Å; K1113-L1230 HydrophobicContact CB-CD2 4.45Å |
| 1114 | M | 75.1 | Confident | 76.1 | Confident | 135 Ų | 135 | 69.2 Ų | 69.2 | 67% | 0.665 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.9 | -46.3 | 172.7 | -169.4 | -175.1 | 79.3 | 0 | 0 | 110.8 | E1110 H1111 L1116 G1117 L1118 | E1110-M1114 WeakPolarHBondContact O-CB 3.33Å; E1110-M1114 PolarHBondContact O-N 3.39Å; H1111-M1114 PolarHBondContact O-N 2.84Å; M1114-L1116 PolarHBondContact O-N 3.24Å; M1114-G1117 WeakPolarHBondContact O-CA 3.31Å; M1114-G1117 PolarHBondContact O-N 3.36Å; M1114-G1117 VanDerWaalsContact O-N 3.16Å; M1114-L1118 PolarHBondContact O-N 3.49Å |
| 1115 | L | 80.2 | Confident | 77.4 | Confident | 83 Ų | 83 | 70 Ų | 70 | 44% | 0.435 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 175.5 | 179.4 | 62.7 | 0 | 0 | 0 | 112.1 | H1111 G1117 L1118 L1119 | H1111-L1115 WeakPolarHBondContact O-CB 3.16Å; H1111-L1115 PolarHBondContact O-N 2.89Å; L1115-G1117 VanDerWaalsContact C-N 3.29Å; L1115-G1117 PolarHBondContact O-N 3.47Å; L1115-L1118 PolarHBondContact O-N 3.39Å; L1115-L1119 HydrophobicContact CD1-CD1 4.31Å; L1115-L1119 HydrophobicContact CD1-CG 4.33Å; L1115-L1119 HydrophobicContact CG-CD1 4.08Å; L1115-L1119 WeakPolarHBondContact O-CG 3.36Å; L1115-L1119 PolarHBondContact O-N 3.18Å |
| 1116 | L | 86.6 | Confident | 78.5 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.1 | -37.7 | 176 | -175.7 | 57.1 | 0 | 0 | 0 | 111.9 | A1112 K1113 M1114 R1120 L1230 A1233 M1237 | A1112-L1116 WeakPolarHBondContact O-CB 3.4Å; A1112-L1116 PolarHBondContact O-N 2.67Å; K1113-L1116 PolarHBondContact O-N 3.03Å; M1114-L1116 PolarHBondContact O-N 3.24Å; L1116-R1120 HydrophobicContact CD1-CG 4.45Å; L1116-R1120 WeakPolarHBondContact O-CG 3.46Å; L1116-R1120 PolarHBondContact O-N 3.22Å; L1116-R1120 VanDerWaalsContact O-N 3.09Å; L1116-L1230 HydrophobicContact CB-CD1 4.12Å; L1116-L1230 HydrophobicContact CD2-CD1 3.51Å; L1116-L1230 HydrophobicContact CG-CD1 4.46Å; L1116-A1233 HydrophobicContact CD1-CB 4.16Å; L1116-A1233 HydrophobicContact CD2-CB 3.95Å; L1116-M1237 HydrophobicContact CD1-CG 3.98Å |
| 1117 | G | 85.2 | Confident | 79.7 | Confident | 32 Ų | 32 | 67.4 Ų | 67.4 | 33% | 0.33 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.9 | -50.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K1113 M1114 L1115 R1120 V1121 | K1113-G1117 PolarHBondContact O-N 3.42Å; M1114-G1117 WeakPolarHBondContact O-CA 3.31Å; M1114-G1117 PolarHBondContact O-N 3.36Å; M1114-G1117 VanDerWaalsContact O-N 3.16Å; L1115-G1117 VanDerWaalsContact C-N 3.29Å; L1115-G1117 PolarHBondContact O-N 3.47Å; G1117-R1120 PolarHBondContact O-N 3.44Å; G1117-V1121 PolarHBondContact O-N 2.88Å |
| 1118 | L | 88 | Confident | 81.2 | Confident | 115 Ų | 115 | 61.9 Ų | 61.9 | 60% | 0.602 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60 | -47.5 | 177.9 | -176.7 | 66.8 | 0 | 0 | 0 | 112.1 | M1114 L1115 R1120 V1121 L1122 | M1114-L1118 PolarHBondContact O-N 3.49Å; L1115-L1118 PolarHBondContact O-N 3.39Å; L1118-R1120 VanDerWaalsContact C-N 3.3Å; L1118-R1120 PolarHBondContact O-N 2.79Å; L1118-V1121 PolarHBondContact O-N 3.35Å; L1118-L1122 WeakPolarHBondContact O-CB 3.35Å; L1118-L1122 PolarHBondContact O-N 2.84Å |
| 1119 | L | 90.8 | Very high | 82.9 | Confident | 22 Ų | 22 | 63.7 Ų | 63.7 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.5 | -36.7 | 179.1 | -71.1 | 170.1 | 0 | 0 | 0 | 112.5 | L1115 L1122 T1123 C1234 M1237 A1238 L1241 | L1115-L1119 HydrophobicContact CD1-CD1 4.31Å; L1115-L1119 HydrophobicContact CD1-CG 4.33Å; L1115-L1119 HydrophobicContact CG-CD1 4.08Å; L1115-L1119 WeakPolarHBondContact O-CG 3.36Å; L1115-L1119 PolarHBondContact O-N 3.18Å; L1119-L1122 PolarHBondContact O-N 3.32Å; L1119-T1123 PolarHBondContact O-N 2.85Å; L1119-T1123 VanDerWaalsContact O-N 3.12Å; L1119-T1123 PolarHBondContact O-OG1 3.41Å; L1119-C1234 HydrophobicContact CD1-CB 4.16Å; L1119-C1234 WeakPolarHBondContact CD1-O 3.46Å; L1119-M1237 HydrophobicContact CB-CB 3.93Å; L1119-M1237 HydrophobicContact CD1-CB 4.31Å; L1119-A1238 HydrophobicContact CD1-CB 4.48Å; L1119-A1238 HydrophobicContact CD2-CB 4.4Å; L1119-L1241 HydrophobicContact CB-CD1 4.33Å; L1119-L1241 HydrophobicContact CD2-CD1 3.95Å; L1119-L1241 WeakPolarHBondContact O-CD1 2.96Å |
| 1120 | R | 91.6 | Very high | 84.3 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 19% | 0.185 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 175.9 | -72.8 | 170.8 | 170.4 | 162.5 | 5.8 | 112 | L1116 G1117 L1118 T1123 F1124 V1218 S1221 | L1116-R1120 HydrophobicContact CD1-CG 4.45Å; L1116-R1120 WeakPolarHBondContact O-CG 3.46Å; L1116-R1120 PolarHBondContact O-N 3.22Å; L1116-R1120 VanDerWaalsContact O-N 3.09Å; G1117-R1120 PolarHBondContact O-N 3.44Å; L1118-R1120 VanDerWaalsContact C-N 3.3Å; L1118-R1120 PolarHBondContact O-N 2.79Å; R1120-T1123 WeakPolarHBondContact O-CB 3.35Å; R1120-T1123 PolarHBondContact O-N 3.06Å; R1120-F1124 WeakPolarHBondContact O-CD2 3.37Å; R1120-V1218 HydrophobicContact CB-CG2 4.03Å; R1120-V1218 HydrophobicContact CG-CG1 4.21Å; R1120-V1218 HydrophobicContact CG-CG2 3.98Å; R1120-S1221 PolarHBondContact NE-OG 3.35Å; R1120-S1221 PolarHBondContact NH2-OG 3.21Å |
| 1121 | V | 89.2 | Confident | 85.4 | Confident | 92 Ų | 92 | 59.1 Ų | 59.1 | 56% | 0.558 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.9 | -45.6 | 175.3 | 175.3 | 0 | 0 | 0 | 0 | 110.1 | G1117 L1118 T1123 F1124 V1125 | G1117-V1121 PolarHBondContact O-N 2.88Å; L1118-V1121 PolarHBondContact O-N 3.35Å; V1121-T1123 PolarHBondContact O-N 3.42Å; V1121-T1123 VanDerWaalsContact O-N 3.09Å; V1121-F1124 PolarHBondContact O-N 2.92Å; V1121-V1125 HydrophobicContact CG1-CG2 4.3Å; V1121-V1125 PolarHBondContact O-N 3.07Å |
| 1122 | L | 89.6 | Confident | 86.6 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 37% | 0.366 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.3 | -27.4 | 179.6 | -166.9 | 65.9 | 0 | 0 | 0 | 112.7 | L1118 L1119 V1125 I1126 L1241 | L1118-L1122 WeakPolarHBondContact O-CB 3.35Å; L1118-L1122 PolarHBondContact O-N 2.84Å; L1119-L1122 PolarHBondContact O-N 3.32Å; L1122-V1125 PolarHBondContact O-N 2.73Å; L1122-I1126 HydrophobicContact CD1-CD1 4.27Å; L1122-I1126 HydrophobicContact CD1-CG1 4.26Å; L1122-I1126 HydrophobicContact CD2-CD1 4.07Å; L1122-I1126 HydrophobicContact CG-CD1 3.71Å; L1122-I1126 HydrophobicContact CG-CG1 4.1Å; L1122-I1126 WeakPolarHBondContact O-CB 3.21Å; L1122-I1126 WeakPolarHBondContact O-CG1 3.39Å; L1122-I1126 PolarHBondContact O-N 3.23Å; L1122-L1241 HydrophobicContact CB-CD1 4.41Å; L1122-L1241 HydrophobicContact CD2-CD1 4.34Å |
| 1123 | T | 90.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 176.2 | -52 | 0 | 0 | 0 | 0 | 113.4 | L1119 R1120 V1121 M1127 C1214 M1237 L1241 M1247 | L1119-T1123 PolarHBondContact O-N 2.85Å; L1119-T1123 VanDerWaalsContact O-N 3.12Å; L1119-T1123 PolarHBondContact O-OG1 3.41Å; R1120-T1123 WeakPolarHBondContact O-CB 3.35Å; R1120-T1123 PolarHBondContact O-N 3.06Å; V1121-T1123 PolarHBondContact O-N 3.42Å; V1121-T1123 VanDerWaalsContact O-N 3.09Å; T1123-M1127 WeakPolarHBondContact O-CB 3.42Å; T1123-M1127 PolarHBondContact O-N 3.12Å; T1123-M1127 VanDerWaalsContact O-N 3.15Å; T1123-C1214 HydrophobicContact CG2-CB 4.15Å; T1123-M1237 HydrophobicContact CG2-CE 4.05Å; T1123-M1237 WeakPolarHBondContact OG1-CE 3.39Å; T1123-L1241 HydrophobicContact CG2-CD2 4.02Å; T1123-L1241 VanDerWaalsContact OG1-CD2 3.3Å; T1123-L1241 WeakPolarHBondContact OG1-CD2 3.27Å; T1123-M1247 HydrophobicContact CG2-CE 4.15Å |
| 1124 | F | 90.9 | Very high | 88.4 | Confident | 72 Ų | 72 | 54 Ų | 54 | 32% | 0.316 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -71.5 | -39.8 | 174.3 | -69.2 | -87.4 | 0 | 0 | 0 | 111.2 | R1120 V1121 M1127 L1128 A1211 C1214 F1215 V1218 | R1120-F1124 WeakPolarHBondContact O-CD2 3.37Å; V1121-F1124 PolarHBondContact O-N 2.92Å; F1124-M1127 PolarHBondContact O-N 3.26Å; F1124-L1128 WeakPolarHBondContact O-CB 3.45Å; F1124-L1128 PolarHBondContact O-N 2.79Å; F1124-A1211 HydrophobicContact CD1-CB 4.44Å; F1124-A1211 HydrophobicContact CE1-CB 4.14Å; F1124-C1214 HydrophobicContact CD1-CB 3.61Å; F1124-C1214 HydrophobicContact CD2-CB 4.31Å; F1124-C1214 HydrophobicContact CE1-CB 3.34Å; F1124-C1214 HydrophobicContact CE2-CB 4.07Å; F1124-C1214 HydrophobicContact CG-CB 4.1Å; F1124-C1214 HydrophobicContact CZ-CB 3.58Å; F1124-F1215 HydrophobicContact CZ-CB 4.44Å; F1124-V1218 HydrophobicContact CE2-CG2 3.92Å |
| 1125 | V | 91.5 | Very high | 88.9 | Confident | 78 Ų | 78 | 49.6 Ų | 49.6 | 47% | 0.473 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 179.6 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | V1121 L1122 L1128 Y1129 | V1121-V1125 HydrophobicContact CG1-CG2 4.3Å; V1121-V1125 PolarHBondContact O-N 3.07Å; L1122-V1125 PolarHBondContact O-N 2.73Å; V1125-L1128 PolarHBondContact O-N 3.33Å; V1125-Y1129 WeakPolarHBondContact O-CB 3.44Å; V1125-Y1129 PolarHBondContact O-N 3.1Å |
| 1126 | I | 90 | Very high | 89.3 | Confident | 24 Ų | 24 | 47.3 Ų | 47.3 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 178.4 | -68.9 | 174.5 | 0 | 0 | 0 | 110.5 | L1122 L1128 Y1129 Y1130 L1241 M1247 M1463 | L1122-I1126 HydrophobicContact CD1-CD1 4.27Å; L1122-I1126 HydrophobicContact CD1-CG1 4.26Å; L1122-I1126 HydrophobicContact CD2-CD1 4.07Å; L1122-I1126 HydrophobicContact CG-CD1 3.71Å; L1122-I1126 HydrophobicContact CG-CG1 4.1Å; L1122-I1126 WeakPolarHBondContact O-CB 3.21Å; L1122-I1126 WeakPolarHBondContact O-CG1 3.39Å; L1122-I1126 PolarHBondContact O-N 3.23Å; I1126-L1128 VanDerWaalsContact C-N 3.31Å; I1126-L1128 PolarHBondContact O-N 3.09Å; I1126-Y1129 WeakPolarHBondContact O-CB 3.38Å; I1126-Y1129 PolarHBondContact O-N 2.85Å; I1126-Y1129 VanDerWaalsContact O-N 3.16Å; I1126-Y1130 HydrophobicContact CG2-CD2 3.87Å; I1126-Y1130 HydrophobicContact CG2-CE2 3.72Å; I1126-Y1130 VanDerWaalsContact O-CD2 3.24Å; I1126-Y1130 WeakPolarHBondContact O-CD2 3.47Å; I1126-Y1130 PolarHBondContact O-N 2.88Å; I1126-L1241 HydrophobicContact CB-CD2 4.45Å; I1126-L1241 HydrophobicContact CD1-CB 4.32Å; I1126-L1241 HydrophobicContact CD1-CD2 3.84Å; I1126-M1247 HydrophobicContact CG2-CB 4.29Å; I1126-M1247 HydrophobicContact CG2-CG 3.92Å; I1126-M1247 HydrophobicContact CG2-SD 4.36Å; I1126-M1463 HydrophobicContact CD1-CE 4.06Å |
| 1127 | M | 92.5 | Very high | 89.1 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 176.7 | 179.5 | -77.6 | -60.6 | 0 | 0 | 111.9 | T1123 F1124 Y1129 Y1130 A1131 L1207 M1247 A1250 | T1123-M1127 WeakPolarHBondContact O-CB 3.42Å; T1123-M1127 PolarHBondContact O-N 3.12Å; T1123-M1127 VanDerWaalsContact O-N 3.15Å; F1124-M1127 PolarHBondContact O-N 3.26Å; M1127-Y1129 VanDerWaalsContact C-N 3.34Å; M1127-Y1129 PolarHBondContact O-N 2.78Å; M1127-Y1130 PolarHBondContact O-N 3.47Å; M1127-A1131 PolarHBondContact O-N 3.18Å; M1127-L1207 HydrophobicContact CE-CD2 4.35Å; M1127-L1207 HydrophobicContact SD-CD2 4.05Å; M1127-M1247 HydrophobicContact CB-SD 4.47Å; M1127-A1250 HydrophobicContact CG-CB 4.21Å |
| 1128 | L | 91.3 | Very high | 88.9 | Confident | 79 Ų | 79 | 50.4 Ų | 50.4 | 41% | 0.414 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 175.1 | 173.3 | 62.7 | 0 | 0 | 0 | 111 | F1124 V1125 I1126 Y1130 A1131 V1132 L1207 | F1124-L1128 WeakPolarHBondContact O-CB 3.45Å; F1124-L1128 PolarHBondContact O-N 2.79Å; V1125-L1128 PolarHBondContact O-N 3.33Å; I1126-L1128 VanDerWaalsContact C-N 3.31Å; I1126-L1128 PolarHBondContact O-N 3.09Å; L1128-Y1130 VanDerWaalsContact C-N 3.33Å; L1128-Y1130 PolarHBondContact O-N 2.89Å; L1128-A1131 PolarHBondContact O-N 2.71Å; L1128-V1132 HydrophobicContact CD1-CG2 3.93Å; L1128-V1132 HydrophobicContact CG-CG2 4.44Å; L1128-V1132 WeakPolarHBondContact O-CB 3.42Å; L1128-V1132 VanDerWaalsContact O-CG2 3.3Å; L1128-V1132 WeakPolarHBondContact O-CG2 3.29Å; L1128-V1132 PolarHBondContact O-N 3.14Å; L1128-L1207 HydrophobicContact CB-CD2 4.45Å; L1128-L1207 HydrophobicContact CD1-CD1 3.71Å; L1128-L1207 HydrophobicContact CD1-CD2 3.47Å; L1128-L1207 VanDerWaalsContact CD1-CD2 3.47Å; L1128-L1207 HydrophobicContact CD1-CG 4.25Å |
| 1129 | Y | 90.4 | Very high | 88.1 | Confident | 125 Ų | 125 | 47.7 Ų | 47.7 | 49% | 0.49 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.1 | -44.1 | 177.5 | -173.5 | -109.2 | 0 | 0 | 0 | 112.1 | V1125 I1126 M1127 V1132 L1133 M1470 | V1125-Y1129 WeakPolarHBondContact O-CB 3.44Å; V1125-Y1129 PolarHBondContact O-N 3.1Å; I1126-Y1129 WeakPolarHBondContact O-CB 3.38Å; I1126-Y1129 PolarHBondContact O-N 2.85Å; I1126-Y1129 VanDerWaalsContact O-N 3.16Å; M1127-Y1129 VanDerWaalsContact C-N 3.34Å; M1127-Y1129 PolarHBondContact O-N 2.78Å; Y1129-V1132 PolarHBondContact O-N 2.81Å; Y1129-L1133 HydrophobicContact CD1-CD1 3.88Å; Y1129-L1133 HydrophobicContact CD2-CD1 4.43Å; Y1129-L1133 HydrophobicContact CE1-CD1 3.33Å; Y1129-L1133 HydrophobicContact CE1-CG 4.36Å; Y1129-L1133 HydrophobicContact CE2-CD1 3.94Å; Y1129-L1133 HydrophobicContact CE2-CG 4.27Å; Y1129-L1133 HydrophobicContact CG-CD1 4.4Å; Y1129-L1133 WeakPolarHBondContact O-CB 3.36Å; Y1129-L1133 WeakPolarHBondContact O-CG 3.48Å; Y1129-L1133 PolarHBondContact O-N 2.77Å; Y1129-M1470 HydrophobicContact CD1-SD 4.05Å; Y1129-M1470 HydrophobicContact CE1-CE 3.84Å; Y1129-M1470 HydrophobicContact CE1-SD 3.69Å |
| 1130 | Y | 89.8 | Confident | 86.8 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 4% | 0.039 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 175.1 | -87.3 | -111 | 0 | 0 | 0 | 112.9 | I1126 M1127 L1128 V1132 I1134 F1244 M1247 F1248 M1470 | I1126-Y1130 HydrophobicContact CG2-CD2 3.87Å; I1126-Y1130 HydrophobicContact CG2-CE2 3.72Å; I1126-Y1130 VanDerWaalsContact O-CD2 3.24Å; I1126-Y1130 WeakPolarHBondContact O-CD2 3.47Å; I1126-Y1130 PolarHBondContact O-N 2.88Å; M1127-Y1130 PolarHBondContact O-N 3.47Å; L1128-Y1130 VanDerWaalsContact C-N 3.33Å; L1128-Y1130 PolarHBondContact O-N 2.89Å; Y1130-V1132 VanDerWaalsContact C-N 3.34Å; Y1130-I1134 PolarHBondContact O-N 2.82Å; Y1130-F1244 HydrophobicContact CD1-CE2 4.44Å; Y1130-F1244 AromaticContact CE1-CD2 3.53Å; Y1130-F1244 HydrophobicContact CE1-CD2 3.53Å; Y1130-F1244 AromaticContact CE1-CE2 3.62Å; Y1130-F1244 HydrophobicContact CE1-CE2 3.62Å; Y1130-M1247 HydrophobicContact CD1-CB 4.44Å; Y1130-M1247 HydrophobicContact CD2-CB 4.29Å; Y1130-M1247 HydrophobicContact CE1-CB 4.36Å; Y1130-M1247 HydrophobicContact CE2-CB 4.23Å; Y1130-M1247 HydrophobicContact CG-CB 4.38Å; Y1130-F1248 HydrophobicContact CD1-CB 4.04Å; Y1130-F1248 HydrophobicContact CE1-CB 4.16Å; Y1130-M1470 HydrophobicContact CE1-CB 4.47Å; Y1130-M1470 HydrophobicContact CE1-CG 4.42Å; Y1130-M1470 HydrophobicContact CE2-SD 4.23Å |
| 1131 | A | 89.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.3 | -36.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1127 L1128 I1134 P1135 L1203 L1207 | M1127-A1131 PolarHBondContact O-N 3.18Å; L1128-A1131 PolarHBondContact O-N 2.71Å; A1131-I1134 CarbonylContact O-C 3.59Å; A1131-P1135 WeakPolarHBondContact O-CA 3.35Å; A1131-L1203 HydrophobicContact CB-CD1 4.09Å; A1131-L1203 WeakPolarHBondContact O-CD1 3.46Å; A1131-L1207 HydrophobicContact CB-CD2 3.56Å; A1131-L1207 HydrophobicContact CB-CG 4.44Å |
| 1132 | V | 89.5 | Confident | 84.9 | Confident | 78 Ų | 78 | 44.4 Ų | 44.4 | 47% | 0.473 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -72.5 | -46 | 177.7 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | L1128 Y1129 Y1130 I1134 L1203 | L1128-V1132 HydrophobicContact CD1-CG2 3.93Å; L1128-V1132 HydrophobicContact CG-CG2 4.44Å; L1128-V1132 WeakPolarHBondContact O-CB 3.42Å; L1128-V1132 VanDerWaalsContact O-CG2 3.3Å; L1128-V1132 WeakPolarHBondContact O-CG2 3.29Å; L1128-V1132 PolarHBondContact O-N 3.14Å; Y1129-V1132 PolarHBondContact O-N 2.81Å; Y1130-V1132 VanDerWaalsContact C-N 3.34Å; V1132-I1134 VanDerWaalsContact C-N 3.29Å; V1132-I1134 PolarHBondContact O-N 2.81Å; V1132-L1203 HydrophobicContact CG2-CD2 4.27Å |
| 1133 | L | 86.5 | Confident | 84.8 | Confident | 58 Ų | 58 | 42.5 Ų | 42.5 | 30% | 0.304 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.7 | -27.7 | -179.2 | -75.3 | -175.3 | 0 | 0 | 0 | 113.5 | Y1129 P1135 M1470 I1474 | Y1129-L1133 HydrophobicContact CD1-CD1 3.88Å; Y1129-L1133 HydrophobicContact CD2-CD1 4.43Å; Y1129-L1133 HydrophobicContact CE1-CD1 3.33Å; Y1129-L1133 HydrophobicContact CE1-CG 4.36Å; Y1129-L1133 HydrophobicContact CE2-CD1 3.94Å; Y1129-L1133 HydrophobicContact CE2-CG 4.27Å; Y1129-L1133 HydrophobicContact CG-CD1 4.4Å; Y1129-L1133 WeakPolarHBondContact O-CB 3.36Å; Y1129-L1133 WeakPolarHBondContact O-CG 3.48Å; Y1129-L1133 PolarHBondContact O-N 2.77Å; L1133-P1135 VanDerWaalsContact C-CD 3.44Å; L1133-P1135 WeakPolarHBondContact O-CD 3.28Å; L1133-M1470 HydrophobicContact CD1-CE 3.91Å; L1133-M1470 HydrophobicContact CD1-CG 4.45Å; L1133-M1470 HydrophobicContact CD1-SD 3.64Å; L1133-I1474 HydrophobicContact CB-CD1 4.34Å; L1133-I1474 HydrophobicContact CD1-CD1 4.39Å |
| 1134 | I | 89.1 | Confident | 84.8 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -125.5 | 70.7 | -178.1 | -42.4 | 172.7 | 0 | 0 | 0 | 108.5 | Y1130 A1131 V1132 F1136 R1206 F1248 R1252 M1470 A1473 I1474 Y1477 | Y1130-I1134 PolarHBondContact O-N 2.82Å; A1131-I1134 CarbonylContact O-C 3.59Å; V1132-I1134 VanDerWaalsContact C-N 3.29Å; V1132-I1134 PolarHBondContact O-N 2.81Å; I1134-F1136 PolarHBondContact O-N 2.83Å; I1134-R1206 VanDerWaalsContact O-CZ 3.24Å; I1134-R1206 PolarHBondContact O-NH1 2.81Å; I1134-R1206 PolarHBondContact O-NH2 3.47Å; I1134-F1248 HydrophobicContact CD1-CD2 3.81Å; I1134-F1248 HydrophobicContact CD1-CE2 3.86Å; I1134-F1248 HydrophobicContact CG2-CE2 4.42Å; I1134-R1252 PolarHBondContact O-NH2 2.83Å; I1134-M1470 HydrophobicContact CD1-CG 4.45Å; I1134-A1473 HydrophobicContact CD1-CB 3.77Å; I1134-I1474 HydrophobicContact CD1-CG1 4.48Å; I1134-I1474 HydrophobicContact CG1-CG1 3.85Å; I1134-Y1477 HydrophobicContact CG2-CD2 3.59Å; I1134-Y1477 HydrophobicContact CG2-CE2 3.26Å |
| 1135 | P | 85.3 | Confident | 84.7 | Confident | 41 Ų | 41 | 39.2 Ų | 39.2 | 27% | 0.266 | 20% | 0.202 | S | C | . | . | trans | -76.8 | -23 | -168.4 | 30.7 | -36 | 0 | 0 | 0 | 113.7 | A1131 L1133 Q1202 R1206 | A1131-P1135 WeakPolarHBondContact O-CA 3.35Å; L1133-P1135 VanDerWaalsContact C-CD 3.44Å; L1133-P1135 WeakPolarHBondContact O-CD 3.28Å; P1135-Q1202 PolarHBondContact O-NE2 2.94Å; P1135-R1206 PolarHBondContact O-NH1 3.32Å | ||
| 1136 | F | 88.2 | Confident | 84.6 | Confident | 36 Ų | 36 | 36.6 Ų | 36.6 | 16% | 0.158 | 18% | 0.184 | C | C | . | . | trans | -81.4 | 153.4 | -177.5 | -54.5 | -61.8 | 0 | 0 | 0 | 112.9 | I1134 R1206 R1252 Y1477 G1480 V1484 L1517 | I1134-F1136 PolarHBondContact O-N 2.83Å; F1136-R1206 PolarHBondContact O-NH1 3.07Å; F1136-R1206 VanDerWaalsContact O-NH1 3.09Å; F1136-R1252 PolarHBondContact O-NH1 2.85Å; F1136-R1252 PolarHBondContact O-NH2 2.92Å; F1136-Y1477 HydrophobicContact CB-CD1 3.93Å; F1136-Y1477 HydrophobicContact CB-CG 3.88Å; F1136-G1480 WeakPolarHBondContact CE1-O 3.33Å; F1136-G1480 VanDerWaalsContact CZ-C 3.49Å; F1136-G1480 WeakPolarHBondContact CZ-O 3.41Å; F1136-V1484 HydrophobicContact CE1-CG2 3.88Å; F1136-V1484 HydrophobicContact CZ-CG2 3.92Å; F1136-L1517 HydrophobicContact CD1-CD1 3.82Å; F1136-L1517 HydrophobicContact CE1-CD1 3.87Å; F1136-L1517 HydrophobicContact CE1-CD2 4.43Å | ||
| 1137 | T | 83.2 | Confident | 84.7 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | trans | -115.3 | 146.4 | -175.1 | 57.9 | 0 | 0 | 0 | 0 | 112.1 | E1141 M1145 G1512 T1514 | T1137-E1141 WeakPolarHBondContact CB-OE2 3.42Å; T1137-E1141 VanDerWaalsContact CG2-OE2 3.29Å; T1137-E1141 WeakPolarHBondContact CG2-OE2 3.29Å; T1137-M1145 HydrophobicContact CG2-CE 3.71Å; T1137-G1512 WeakPolarHBondContact O-CA 3.46Å; T1137-G1512 PolarHBondContact O-N 3.49Å; T1137-T1514 WeakPolarHBondContact OG1-CG2 3.49Å | ||
| 1138 | K | 80 | Confident | 84.7 | Confident | 97 Ų | 97 | 35.3 Ų | 35.3 | 42% | 0.422 | 18% | 0.178 | S | C | . | . | trans | -84.5 | 165.2 | 177.3 | -155.8 | -179.8 | 173.9 | -154 | 0 | 111.5 | E1140 E1141 S1142 Y1477 E1510 | K1138-E1140 IonicContact NZ-OE1 3.96Å; K1138-E1140 PolarHBondContact NZ-OE1 3.41Å; K1138-E1140 PolarHBondContact O-N 3.3Å; K1138-E1140 VanDerWaalsContact O-N 3.11Å; K1138-E1141 PolarHBondContact N-OE1 3.49Å; K1138-E1141 WeakPolarHBondContact O-CB 3.32Å; K1138-E1141 PolarHBondContact O-N 3.45Å; K1138-S1142 PolarHBondContact O-N 3.05Å; K1138-Y1477 HydrophobicContact CB-CE1 4.17Å; K1138-E1510 WeakPolarHBondContact CA-O 3.17Å; K1138-E1510 WeakPolarHBondContact CG-O 3.43Å | ||
| 1139 | V | 70.7 | Confident | 84.8 | Confident | 59 Ų | 59 | 31.8 Ų | 31.8 | 36% | 0.358 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -53.6 | -33.2 | 177.6 | 94.4 | 0 | 0 | 0 | 0 | 114 | E1141 S1142 E1510 | V1139-E1141 PolarHBondContact O-N 3.02Å; V1139-E1141 VanDerWaalsContact O-N 3.12Å; V1139-S1142 WeakPolarHBondContact O-CB 3.46Å; V1139-S1142 PolarHBondContact O-N 3.3Å; V1139-S1142 PolarHBondContact O-OG 3.39Å; V1139-E1510 HydrophobicContact CB-CB 3.95Å; V1139-E1510 HydrophobicContact CB-CG 3.73Å; V1139-E1510 HydrophobicContact CG1-CG 4.19Å; V1139-E1510 HydrophobicContact CG2-CB 4.34Å; V1139-E1510 HydrophobicContact CG2-CG 3.7Å; V1139-E1510 PolarHBondContact N-O 3.08Å; V1139-E1510 VanDerWaalsContact N-O 3.09Å |
| 1140 | E | 63.9 | Low | 84.8 | Confident | 59 Ų | 59 | 25.9 Ų | 25.9 | 28% | 0.276 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62.5 | -24.1 | 179.1 | -65.1 | 168.4 | -137.8 | 0 | 0 | 113 | K1138 L1254 R1418 | K1138-E1140 IonicContact NZ-OE1 3.96Å; K1138-E1140 PolarHBondContact NZ-OE1 3.41Å; K1138-E1140 PolarHBondContact O-N 3.3Å; K1138-E1140 VanDerWaalsContact O-N 3.11Å; E1140-L1254 HydrophobicContact CB-CD2 3.78Å; E1140-L1254 WeakPolarHBondContact O-CD2 3.35Å; E1140-R1418 VanDerWaalsContact CD-NH1 3.32Å; E1140-R1418 IonicContact OE2-CZ 2.8Å; E1140-R1418 VanDerWaalsContact OE2-CZ 3.24Å; E1140-R1418 IonicContact OE2-NE 3.72Å; E1140-R1418 IonicContact OE2-NH1 2.65Å; E1140-R1418 PolarHBondContact OE2-NH1 3.23Å; E1140-R1418 IonicContact OE2-NH2 3.03Å |
| 1141 | E | 68.8 | Low | 85 | Confident | 7 Ų | 7 | 26.7 Ų | 26.7 | 3% | 0.033 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -95.2 | -14.1 | 178.6 | -56.2 | 166.9 | -119.9 | 0 | 0 | 112.2 | T1137 K1138 V1139 F1143 N1144 M1145 R1252 T1253 L1254 | T1137-E1141 WeakPolarHBondContact CB-OE2 3.42Å; T1137-E1141 VanDerWaalsContact CG2-OE2 3.29Å; T1137-E1141 WeakPolarHBondContact CG2-OE2 3.29Å; K1138-E1141 PolarHBondContact N-OE1 3.49Å; K1138-E1141 WeakPolarHBondContact O-CB 3.32Å; K1138-E1141 PolarHBondContact O-N 3.45Å; V1139-E1141 PolarHBondContact O-N 3.02Å; V1139-E1141 VanDerWaalsContact O-N 3.12Å; E1141-F1143 PolarHBondContact O-N 3.17Å; E1141-N1144 PolarHBondContact O-N 3.36Å; E1141-M1145 PolarHBondContact O-N 3.22Å; E1141-M1145 VanDerWaalsContact O-N 3.16Å; E1141-R1252 HydrophobicContact CG-CB 4.34Å; E1141-R1252 VanDerWaalsContact OE1-CD 3.23Å; E1141-R1252 WeakPolarHBondContact OE1-CD 3.38Å; E1141-R1252 IonicContact OE1-CZ 2.63Å; E1141-R1252 IonicContact OE1-NE 2.68Å; E1141-R1252 IonicContact OE1-NH1 3.75Å; E1141-R1252 PolarHBondContact OE1-NH1 3.2Å; E1141-R1252 WeakPolarHBondContact OE2-CD 3.48Å; E1141-R1252 IonicContact OE2-NH1 3.52Å; E1141-R1252 PolarHBondContact OE2-NH1 2.81Å; E1141-T1253 PolarHBondContact O-OG1 3.28Å; E1141-L1254 HydrophobicContact CG-CD2 3.8Å; E1141-L1254 HydrophobicContact CG-CG 3.94Å |
| 1142 | S | 72.2 | Confident | 85.1 | Confident | 28 Ų | 28 | 27 Ų | 27 | 20% | 0.196 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.5 | -44.4 | -164.3 | 66.6 | 0 | 0 | 0 | 0 | 111.3 | K1138 V1139 N1144 M1145 Q1146 | K1138-S1142 PolarHBondContact O-N 3.05Å; V1139-S1142 WeakPolarHBondContact O-CB 3.46Å; V1139-S1142 PolarHBondContact O-N 3.3Å; V1139-S1142 PolarHBondContact O-OG 3.39Å; S1142-N1144 PolarHBondContact O-N 3.07Å; S1142-M1145 PolarHBondContact O-N 3.46Å; S1142-Q1146 VanDerWaalsContact C-OE1 3.3Å; S1142-Q1146 VanDerWaalsContact O-CB 3.24Å; S1142-Q1146 WeakPolarHBondContact O-CB 3.34Å; S1142-Q1146 VanDerWaalsContact O-CG 3.25Å; S1142-Q1146 WeakPolarHBondContact O-CG 3.48Å; S1142-Q1146 PolarHBondContact O-N 3.45Å; S1142-Q1146 PolarHBondContact O-OE1 3.29Å |
| 1143 | F | 86.6 | Confident | 85 | Confident | 29 Ų | 29 | 25.6 Ų | 25.6 | 13% | 0.127 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -53.2 | -55.9 | -179.7 | 173.4 | -89.8 | 0 | 0 | 0 | 112 | E1141 M1145 Q1146 A1147 H1163 R1172 F1174 W1338 | E1141-F1143 PolarHBondContact O-N 3.17Å; F1143-M1145 VanDerWaalsContact C-N 3.31Å; F1143-M1145 PolarHBondContact O-N 2.85Å; F1143-Q1146 PolarHBondContact O-N 2.65Å; F1143-A1147 HydrophobicContact CE1-CB 4.33Å; F1143-A1147 HydrophobicContact CZ-CB 4.45Å; F1143-A1147 WeakPolarHBondContact O-CB 3.46Å; F1143-A1147 PolarHBondContact O-N 3.31Å; F1143-H1163 HydrophobicContact CD2-CB 4.47Å; F1143-H1163 HydrophobicContact CE2-CB 4.04Å; F1143-R1172 HydrophobicContact CD1-CB 3.43Å; F1143-R1172 VanDerWaalsContact CD1-CB 3.43Å; F1143-R1172 HydrophobicContact CD1-CG 3.92Å; F1143-R1172 HydrophobicContact CD2-CB 4.49Å; F1143-R1172 HydrophobicContact CE1-CB 3.32Å; F1143-R1172 HydrophobicContact CE1-CG 4.29Å; F1143-R1172 HydrophobicContact CE2-CB 4.37Å; F1143-R1172 HydrophobicContact CG-CB 4.06Å; F1143-R1172 HydrophobicContact CG-CG 4.16Å; F1143-R1172 HydrophobicContact CZ-CB 3.82Å; F1143-F1174 HydrophobicContact CE2-CE2 4.26Å; F1143-F1174 HydrophobicContact CE2-CZ 4.24Å; F1143-F1174 HydrophobicContact CZ-CD2 4.16Å; F1143-F1174 HydrophobicContact CZ-CE1 4.49Å; F1143-F1174 AromaticContact CZ-CE2 3.68Å; F1143-F1174 HydrophobicContact CZ-CE2 3.68Å; F1143-F1174 AromaticContact CZ-CZ 3.85Å; F1143-F1174 HydrophobicContact CZ-CZ 3.85Å; F1143-W1338 HydrophobicContact CD2-CZ2 4.47Å; F1143-W1338 HydrophobicContact CE2-CH2 4.02Å; F1143-W1338 AromaticContact CE2-CZ2 3.53Å; F1143-W1338 HydrophobicContact CE2-CZ2 3.53Å; F1143-W1338 AromaticContact CZ-CZ2 3.91Å; F1143-W1338 HydrophobicContact CZ-CZ2 3.91Å |
| 1144 | N | 90.5 | Very high | 85.2 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.2 | -36.2 | -175.9 | -73.5 | -42.8 | 0 | 0 | 0 | 111.1 | E1141 S1142 V1148 P1177 T1253 P1255 F1258 | E1141-N1144 PolarHBondContact O-N 3.36Å; S1142-N1144 PolarHBondContact O-N 3.07Å; N1144-V1148 WeakPolarHBondContact O-CG2 3.28Å; N1144-V1148 PolarHBondContact O-N 3.36Å; N1144-P1177 HydrophobicContact CB-CG 4.19Å; N1144-P1177 WeakPolarHBondContact OD1-CG 3.49Å; N1144-T1253 VanDerWaalsContact CB-O 3.26Å; N1144-T1253 WeakPolarHBondContact CB-O 3.49Å; N1144-T1253 PolarHBondContact ND2-O 2.94Å; N1144-P1255 WeakPolarHBondContact ND2-CD 3.37Å; N1144-F1258 HydrophobicContact CB-CE2 4.34Å |
| 1145 | M | 90 | Very high | 85.1 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.9 | -44 | 178.3 | -168.7 | 59 | 75.5 | 0 | 0 | 111.3 | T1137 E1141 S1142 F1143 V1148 H1149 Q1202 T1205 R1206 T1253 T1514 F1516 | T1137-M1145 HydrophobicContact CG2-CE 3.71Å; E1141-M1145 PolarHBondContact O-N 3.22Å; E1141-M1145 VanDerWaalsContact O-N 3.16Å; S1142-M1145 PolarHBondContact O-N 3.46Å; F1143-M1145 VanDerWaalsContact C-N 3.31Å; F1143-M1145 PolarHBondContact O-N 2.85Å; M1145-V1148 PolarHBondContact O-N 3.02Å; M1145-H1149 PolarHBondContact O-N 3.03Å; M1145-Q1202 HydrophobicContact CE-CG 4.06Å; M1145-Q1202 HydrophobicContact SD-CG 3.95Å; M1145-T1205 HydrophobicContact CE-CG2 4.29Å; M1145-T1205 HydrophobicContact SD-CG2 3.9Å; M1145-R1206 HydrophobicContact CE-CG 3.42Å; M1145-R1206 VanDerWaalsContact CE-CG 3.42Å; M1145-T1253 HydrophobicContact CE-CG2 3.63Å; M1145-T1514 HydrophobicContact CG-CG2 4.18Å; M1145-F1516 HydrophobicContact CG-CD2 3.96Å; M1145-F1516 HydrophobicContact CG-CE2 4.07Å; M1145-F1516 WeakPolarHBondContact O-CE2 3.35Å; M1145-F1516 HydrophobicContact SD-CD2 3.92Å; M1145-F1516 HydrophobicContact SD-CE2 3.65Å |
| 1146 | Q | 88.5 | Confident | 85.2 | Confident | 22 Ų | 22 | 32.8 Ų | 32.8 | 10% | 0.103 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 175.1 | -73.4 | 163.8 | -38.3 | 0 | 0 | 111.1 | S1142 F1143 V1148 H1149 D1150 D1162 | S1142-Q1146 VanDerWaalsContact C-OE1 3.3Å; S1142-Q1146 VanDerWaalsContact O-CB 3.24Å; S1142-Q1146 WeakPolarHBondContact O-CB 3.34Å; S1142-Q1146 VanDerWaalsContact O-CG 3.25Å; S1142-Q1146 WeakPolarHBondContact O-CG 3.48Å; S1142-Q1146 PolarHBondContact O-N 3.45Å; S1142-Q1146 PolarHBondContact O-OE1 3.29Å; F1143-Q1146 PolarHBondContact O-N 2.65Å; Q1146-V1148 VanDerWaalsContact C-N 3.34Å; Q1146-V1148 PolarHBondContact O-N 3Å; Q1146-H1149 CarbonylContact O-C 3.43Å; Q1146-H1149 WeakPolarHBondContact O-CA 3.39Å; Q1146-H1149 WeakPolarHBondContact O-CB 3.46Å; Q1146-H1149 PolarHBondContact O-N 3.41Å; Q1146-H1149 VanDerWaalsContact O-N 3.12Å; Q1146-D1150 VanDerWaalsContact O-CG 3.27Å; Q1146-D1150 PolarHBondContact O-N 3.31Å; Q1146-D1162 PolarHBondContact NE2-OD2 2.96Å |
| 1147 | A | 91.9 | Very high | 85.3 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 3% | 0.033 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1143 D1150 I1151 F1174 P1177 | F1143-A1147 HydrophobicContact CE1-CB 4.33Å; F1143-A1147 HydrophobicContact CZ-CB 4.45Å; F1143-A1147 WeakPolarHBondContact O-CB 3.46Å; F1143-A1147 PolarHBondContact O-N 3.31Å; A1147-D1150 PolarHBondContact O-N 3Å; A1147-I1151 WeakPolarHBondContact O-CB 3.46Å; A1147-I1151 WeakPolarHBondContact O-CD1 3.23Å; A1147-I1151 WeakPolarHBondContact O-CG1 3.03Å; A1147-I1151 PolarHBondContact O-N 3.47Å; A1147-F1174 HydrophobicContact CB-CD1 4.05Å; A1147-F1174 HydrophobicContact CB-CE1 3.63Å; A1147-F1174 HydrophobicContact CB-CZ 4.35Å; A1147-P1177 HydrophobicContact CB-CB 3.64Å; A1147-P1177 HydrophobicContact CB-CG 3.62Å |
| 1148 | V | 93.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 173.3 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | N1144 M1145 Q1146 D1150 I1151 L1152 P1177 L1180 A1181 T1205 F1516 | N1144-V1148 WeakPolarHBondContact O-CG2 3.28Å; N1144-V1148 PolarHBondContact O-N 3.36Å; M1145-V1148 PolarHBondContact O-N 3.02Å; Q1146-V1148 VanDerWaalsContact C-N 3.34Å; Q1146-V1148 PolarHBondContact O-N 3Å; V1148-D1150 PolarHBondContact O-N 3.32Å; V1148-I1151 PolarHBondContact O-N 2.89Å; V1148-L1152 HydrophobicContact CG1-CD1 3.86Å; V1148-L1152 HydrophobicContact CG1-CG 4.29Å; V1148-L1152 WeakPolarHBondContact O-CB 3.47Å; V1148-L1152 VanDerWaalsContact O-CG 3.24Å; V1148-L1152 WeakPolarHBondContact O-CG 3.34Å; V1148-L1152 PolarHBondContact O-N 3.17Å; V1148-P1177 HydrophobicContact CG2-CB 3.88Å; V1148-L1180 HydrophobicContact CG2-CB 3.91Å; V1148-L1180 HydrophobicContact CG2-CD1 4.39Å; V1148-A1181 HydrophobicContact CG1-CB 4.18Å; V1148-T1205 HydrophobicContact CB-CG2 4.19Å; V1148-T1205 HydrophobicContact CG1-CG2 3.79Å; V1148-T1205 HydrophobicContact CG2-CG2 4.05Å; V1148-F1516 HydrophobicContact CG1-CZ 4.19Å |
| 1149 | H | 92.3 | Very high | 85.7 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 2% | 0.023 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.5 | -52.2 | 174.1 | 171.1 | -82.2 | 0 | 0 | 0 | 110.6 | M1145 Q1146 I1151 L1152 F1153 K1198 R1515 F1516 | M1145-H1149 PolarHBondContact O-N 3.03Å; Q1146-H1149 CarbonylContact O-C 3.43Å; Q1146-H1149 WeakPolarHBondContact O-CA 3.39Å; Q1146-H1149 WeakPolarHBondContact O-CB 3.46Å; Q1146-H1149 PolarHBondContact O-N 3.41Å; Q1146-H1149 VanDerWaalsContact O-N 3.12Å; H1149-I1151 PolarHBondContact O-N 2.93Å; H1149-L1152 PolarHBondContact O-N 2.89Å; H1149-L1152 VanDerWaalsContact O-N 3.14Å; H1149-F1153 AromaticContact CD2-CD2 3.28Å; H1149-F1153 WeakPolarHBondContact CD2-CD2 3.5Å; H1149-F1153 AromaticContact CD2-CE2 3.58Å; H1149-F1153 AromaticContact CE1-CD2 3.9Å; H1149-F1153 AromaticContact CG-CD2 3.76Å; H1149-F1153 AromaticContact NE2-CD2 3.39Å; H1149-F1153 WeakPolarHBondContact NE2-CD2 3.42Å; H1149-F1153 AromaticContact NE2-CE2 3.91Å; H1149-F1153 AromaticContact NE2-CG 3.84Å; H1149-F1153 WeakPolarHBondContact O-CB 3.44Å; H1149-F1153 VanDerWaalsContact O-CD2 3.23Å; H1149-F1153 WeakPolarHBondContact O-CD2 3.3Å; H1149-F1153 PolarHBondContact O-N 3.41Å; H1149-K1198 PolarHBondContact NE2-NZ 3.47Å; H1149-R1515 HydrophobicContact CB-CB 4.34Å; H1149-F1516 HydrophobicContact CB-CD2 3.94Å; H1149-F1516 HydrophobicContact CB-CE1 4.23Å; H1149-F1516 HydrophobicContact CB-CE2 3.6Å; H1149-F1516 HydrophobicContact CB-CG 4.39Å; H1149-F1516 HydrophobicContact CB-CZ 3.75Å; H1149-F1516 AromaticContact CD2-CD1 3.97Å |
| 1150 | D | 92.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.3 | -38.2 | -174.3 | -65.3 | -14 | 0 | 0 | 0 | 111.8 | Q1146 A1147 V1148 L1152 F1153 H1154 G1155 Y1161 D1162 R1515 | Q1146-D1150 VanDerWaalsContact O-CG 3.27Å; Q1146-D1150 PolarHBondContact O-N 3.31Å; A1147-D1150 PolarHBondContact O-N 3Å; V1148-D1150 PolarHBondContact O-N 3.32Å; D1150-L1152 PolarHBondContact O-N 3.42Å; D1150-F1153 PolarHBondContact O-N 2.72Å; D1150-H1154 WeakPolarHBondContact O-CA 3.32Å; D1150-H1154 VanDerWaalsContact O-CB 3.31Å; D1150-H1154 WeakPolarHBondContact O-CB 3.43Å; D1150-H1154 PolarHBondContact O-N 3.26Å; D1150-H1154 IonicContact OD1-CD2 3.88Å; D1150-G1155 PolarHBondContact O-N 3.44Å; D1150-Y1161 HydrophobicContact CB-CD1 3.68Å; D1150-Y1161 HydrophobicContact CB-CD2 4Å; D1150-Y1161 HydrophobicContact CB-CE1 3.74Å; D1150-Y1161 HydrophobicContact CB-CE2 4.04Å; D1150-Y1161 HydrophobicContact CB-CG 3.82Å; D1150-Y1161 WeakPolarHBondContact OD2-CA 3.49Å; D1150-D1162 PolarHBondContact OD2-N 2.93Å; D1150-R1515 WeakPolarHBondContact OD1-CD 3.4Å; D1150-R1515 IonicContact OD1-CZ 3.24Å; D1150-R1515 IonicContact OD1-NE 2.75Å; D1150-R1515 IonicContact OD1-NH1 2.93Å; D1150-R1515 PolarHBondContact OD1-NH1 3.05Å; D1150-R1515 IonicContact OD2-NH1 3.14Å; D1150-R1515 PolarHBondContact OD2-NH1 3.17Å |
| 1151 | I | 93.2 | Very high | 87.6 | Confident | 27 Ų | 27 | 36.4 Ų | 36.4 | 14% | 0.138 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -47.8 | 171.6 | -67.6 | 161.1 | 0 | 0 | 0 | 111 | A1147 V1148 H1149 G1155 Y1161 F1174 P1177 L1178 A1181 F1337 | A1147-I1151 WeakPolarHBondContact O-CB 3.46Å; A1147-I1151 WeakPolarHBondContact O-CD1 3.23Å; A1147-I1151 WeakPolarHBondContact O-CG1 3.03Å; A1147-I1151 PolarHBondContact O-N 3.47Å; V1148-I1151 PolarHBondContact O-N 2.89Å; H1149-I1151 PolarHBondContact O-N 2.93Å; I1151-G1155 WeakPolarHBondContact O-CA 3.44Å; I1151-G1155 PolarHBondContact O-N 3.34Å; I1151-Y1161 WeakPolarHBondContact CA-OH 3.49Å; I1151-Y1161 HydrophobicContact CG1-CE1 4.32Å; I1151-Y1161 WeakPolarHBondContact CG1-OH 3.36Å; I1151-Y1161 PolarHBondContact N-OH 3.38Å; I1151-F1174 HydrophobicContact CD1-CD1 4.24Å; I1151-P1177 HydrophobicContact CD1-CB 3.68Å; I1151-L1178 HydrophobicContact CD1-CD2 3.94Å; I1151-L1178 HydrophobicContact CD1-CG 3.99Å; I1151-L1178 HydrophobicContact CG1-CD2 4.43Å; I1151-L1178 HydrophobicContact CG2-CD2 4.27Å; I1151-A1181 HydrophobicContact CB-CB 4Å; I1151-A1181 HydrophobicContact CD1-CB 4.47Å; I1151-A1181 HydrophobicContact CG2-CB 3.51Å; I1151-F1337 HydrophobicContact CG1-CE1 4.44Å |
| 1152 | L | 90.7 | Very high | 88.1 | Confident | 7 Ų | 7 | 36.4 Ų | 36.4 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.7 | -52.7 | 179.4 | -70.8 | 174.7 | 0 | 0 | 0 | 110 | V1148 H1149 D1150 A1181 V1184 F1185 R1188 F1516 | V1148-L1152 HydrophobicContact CG1-CD1 3.86Å; V1148-L1152 HydrophobicContact CG1-CG 4.29Å; V1148-L1152 WeakPolarHBondContact O-CB 3.47Å; V1148-L1152 VanDerWaalsContact O-CG 3.24Å; V1148-L1152 WeakPolarHBondContact O-CG 3.34Å; V1148-L1152 PolarHBondContact O-N 3.17Å; H1149-L1152 PolarHBondContact O-N 2.89Å; H1149-L1152 VanDerWaalsContact O-N 3.14Å; D1150-L1152 PolarHBondContact O-N 3.42Å; L1152-A1181 HydrophobicContact CD2-CB 4.07Å; L1152-A1181 HydrophobicContact CG-CB 4.14Å; L1152-V1184 HydrophobicContact CD1-CB 4.48Å; L1152-V1184 HydrophobicContact CD1-CG1 4.07Å; L1152-F1185 HydrophobicContact CD2-CB 4.14Å; L1152-F1185 HydrophobicContact CD2-CD2 4.04Å; L1152-R1188 PolarHBondContact O-NE 3.35Å; L1152-R1188 PolarHBondContact O-NH1 3.27Å; L1152-R1188 PolarHBondContact O-NH2 2.89Å; L1152-F1516 HydrophobicContact CD1-CE1 4.29Å; L1152-F1516 HydrophobicContact CD1-CZ 4.15Å |
| 1153 | F | 88.4 | Confident | 88.6 | Confident | 48 Ų | 48 | 35.4 Ų | 35.4 | 21% | 0.211 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -88.6 | -28.7 | -166.7 | -71.6 | -82.3 | 0 | 0 | 0 | 116 | H1149 D1150 R1188 K1198 L1201 F1516 | H1149-F1153 AromaticContact CD2-CD2 3.28Å; H1149-F1153 WeakPolarHBondContact CD2-CD2 3.5Å; H1149-F1153 AromaticContact CD2-CE2 3.58Å; H1149-F1153 AromaticContact CE1-CD2 3.9Å; H1149-F1153 AromaticContact CG-CD2 3.76Å; H1149-F1153 AromaticContact NE2-CD2 3.39Å; H1149-F1153 WeakPolarHBondContact NE2-CD2 3.42Å; H1149-F1153 AromaticContact NE2-CE2 3.91Å; H1149-F1153 AromaticContact NE2-CG 3.84Å; H1149-F1153 WeakPolarHBondContact O-CB 3.44Å; H1149-F1153 VanDerWaalsContact O-CD2 3.23Å; H1149-F1153 WeakPolarHBondContact O-CD2 3.3Å; H1149-F1153 PolarHBondContact O-N 3.41Å; D1150-F1153 PolarHBondContact O-N 2.72Å; F1153-R1188 VanDerWaalsContact CA-NH1 3.29Å; F1153-K1198 HydrophobicContact CE1-CD 4.46Å; F1153-K1198 HydrophobicContact CE1-CG 4.19Å; F1153-K1198 HydrophobicContact CE2-CD 4.49Å; F1153-K1198 HydrophobicContact CE2-CG 4.34Å; F1153-K1198 HydrophobicContact CZ-CD 4.16Å; F1153-K1198 HydrophobicContact CZ-CG 3.7Å; F1153-L1201 HydrophobicContact CE2-CD1 4.34Å; F1153-L1201 HydrophobicContact CZ-CD1 3.82Å; F1153-F1516 HydrophobicContact CE2-CD1 4.17Å; F1153-F1516 AromaticContact CE2-CE1 3.84Å; F1153-F1516 HydrophobicContact CE2-CE1 3.84Å |
| 1154 | H | 89.8 | Confident | 88.3 | Confident | 57 Ų | 57 | 38.3 Ų | 38.3 | 26% | 0.264 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -115 | -14.3 | -176.1 | -56.3 | -44.8 | 0 | 0 | 0 | 112.9 | D1150 F1156 N1157 K1160 Y1161 | D1150-H1154 WeakPolarHBondContact O-CA 3.32Å; D1150-H1154 VanDerWaalsContact O-CB 3.31Å; D1150-H1154 WeakPolarHBondContact O-CB 3.43Å; D1150-H1154 PolarHBondContact O-N 3.26Å; D1150-H1154 IonicContact OD1-CD2 3.88Å; H1154-F1156 PolarHBondContact O-N 3.38Å; H1154-N1157 VanDerWaalsContact O-CB 3.31Å; H1154-N1157 WeakPolarHBondContact O-CB 3.11Å; H1154-N1157 PolarHBondContact O-N 2.96Å; H1154-K1160 HydrophobicContact CB-CB 4.2Å; H1154-Y1161 HydrophobicContact CB-CD2 4.37Å; H1154-Y1161 HydrophobicContact CB-CE2 4.05Å |
| 1155 | G | 88.4 | Confident | 87.3 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 30% | 0.299 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | -124.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D1150 I1151 N1157 Y1161 | D1150-G1155 PolarHBondContact O-N 3.44Å; I1151-G1155 WeakPolarHBondContact O-CA 3.44Å; I1151-G1155 PolarHBondContact O-N 3.34Å; G1155-N1157 VanDerWaalsContact C-N 3.28Å; G1155-N1157 PolarHBondContact O-N 3.48Å; G1155-Y1161 WeakPolarHBondContact O-CE2 3.35Å; G1155-Y1161 PolarHBondContact O-OH 2.86Å |
| 1156 | F | 86.3 | Confident | 86.5 | Confident | 167 Ų | 167 | 47.6 Ų | 47.6 | 73% | 0.732 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 2.6 | 179.3 | -60.4 | -73.8 | 0 | 0 | 0 | 114.4 | H1154 L1158 Y1336 | H1154-F1156 PolarHBondContact O-N 3.38Å; F1156-L1158 VanDerWaalsContact C-N 3.33Å; F1156-L1158 PolarHBondContact O-N 3.05Å; F1156-Y1336 HydrophobicContact CD1-CE1 4.18Å |
| 1157 | N | 89.5 | Confident | 85.6 | Confident | 75 Ų | 75 | 49.4 Ų | 49.4 | 40% | 0.401 | 25% | 0.253 | S | S | . | . | trans | -81.2 | 79.7 | 179.1 | -166.8 | -3.7 | 0 | 0 | 0 | 111.4 | H1154 G1155 S1159 K1160 Y1161 | H1154-N1157 VanDerWaalsContact O-CB 3.31Å; H1154-N1157 WeakPolarHBondContact O-CB 3.11Å; H1154-N1157 PolarHBondContact O-N 2.96Å; G1155-N1157 VanDerWaalsContact C-N 3.28Å; G1155-N1157 PolarHBondContact O-N 3.48Å; N1157-S1159 PolarHBondContact O-N 2.99Å; N1157-S1159 PolarHBondContact OD1-OG 2.83Å; N1157-K1160 PolarHBondContact O-N 3.22Å; N1157-Y1161 WeakPolarHBondContact O-CD2 3.44Å | ||
| 1158 | L | 87.1 | Confident | 84.8 | Confident | 30 Ų | 30 | 51.9 Ų | 51.9 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -61.4 | -26.3 | -174.4 | -63.1 | 177.5 | 0 | 0 | 0 | 113.6 | F1156 K1160 Y1161 F1164 Y1336 F1337 | F1156-L1158 VanDerWaalsContact C-N 3.33Å; F1156-L1158 PolarHBondContact O-N 3.05Å; L1158-K1160 PolarHBondContact O-N 3.31Å; L1158-Y1161 HydrophobicContact CD2-CD2 4.31Å; L1158-Y1161 HydrophobicContact CD2-CE1 4.41Å; L1158-Y1161 HydrophobicContact CD2-CE2 4.13Å; L1158-Y1161 WeakPolarHBondContact O-CB 3.39Å; L1158-Y1161 PolarHBondContact O-N 2.86Å; L1158-F1164 HydrophobicContact CB-CE2 4.21Å; L1158-F1164 WeakPolarHBondContact O-CD2 3.25Å; L1158-F1164 WeakPolarHBondContact O-CE2 3.44Å; L1158-Y1336 HydrophobicContact CD1-CE1 4.11Å; L1158-Y1336 WeakPolarHBondContact CD1-O 3.27Å; L1158-Y1336 HydrophobicContact CD2-CE1 4.27Å; L1158-Y1336 HydrophobicContact CG-CE1 4.49Å; L1158-F1337 HydrophobicContact CD2-CD1 3.75Å; L1158-F1337 HydrophobicContact CD2-CE1 4.26Å |
| 1159 | S | 85.6 | Confident | 84.1 | Confident | 103 Ų | 103 | 55.7 Ų | 55.7 | 72% | 0.72 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -64.5 | -15.4 | -179.1 | 64.8 | 0 | 0 | 0 | 0 | 114 | N1157 | N1157-S1159 PolarHBondContact O-N 2.99Å; N1157-S1159 PolarHBondContact OD1-OG 2.83Å |
| 1160 | K | 85 | Confident | 83.7 | Confident | 115 Ų | 115 | 56 Ų | 56 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -97 | -1.1 | 177.6 | -63.4 | -168.5 | 175.1 | -171.3 | 0 | 114.1 | H1154 N1157 L1158 R1515 | H1154-K1160 HydrophobicContact CB-CB 4.2Å; N1157-K1160 PolarHBondContact O-N 3.22Å; L1158-K1160 PolarHBondContact O-N 3.31Å; K1160-R1515 PolarHBondContact O-NH1 3.2Å |
| 1161 | Y | 88.5 | Confident | 83.5 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 2% | 0.024 | 31% | 0.307 | C | S | . | . | trans | -75.6 | 137.2 | -176.4 | -84.3 | -124.9 | 0 | 0 | 0 | 111.8 | D1150 I1151 H1154 G1155 N1157 L1158 H1163 F1174 F1337 | D1150-Y1161 HydrophobicContact CB-CD1 3.68Å; D1150-Y1161 HydrophobicContact CB-CD2 4Å; D1150-Y1161 HydrophobicContact CB-CE1 3.74Å; D1150-Y1161 HydrophobicContact CB-CE2 4.04Å; D1150-Y1161 HydrophobicContact CB-CG 3.82Å; D1150-Y1161 WeakPolarHBondContact OD2-CA 3.49Å; I1151-Y1161 WeakPolarHBondContact CA-OH 3.49Å; I1151-Y1161 HydrophobicContact CG1-CE1 4.32Å; I1151-Y1161 WeakPolarHBondContact CG1-OH 3.36Å; I1151-Y1161 PolarHBondContact N-OH 3.38Å; H1154-Y1161 HydrophobicContact CB-CD2 4.37Å; H1154-Y1161 HydrophobicContact CB-CE2 4.05Å; G1155-Y1161 WeakPolarHBondContact O-CE2 3.35Å; G1155-Y1161 PolarHBondContact O-OH 2.86Å; N1157-Y1161 WeakPolarHBondContact O-CD2 3.44Å; L1158-Y1161 HydrophobicContact CD2-CD2 4.31Å; L1158-Y1161 HydrophobicContact CD2-CE1 4.41Å; L1158-Y1161 HydrophobicContact CD2-CE2 4.13Å; L1158-Y1161 WeakPolarHBondContact O-CB 3.39Å; L1158-Y1161 PolarHBondContact O-N 2.86Å; Y1161-H1163 VanDerWaalsContact C-N 3.31Å; Y1161-H1163 VanDerWaalsContact CB-CE1 3.41Å; Y1161-H1163 WeakPolarHBondContact CB-CE1 3.41Å; Y1161-H1163 WeakPolarHBondContact CB-ND1 3.26Å; Y1161-H1163 AromaticContact CD1-CE1 3.51Å; Y1161-H1163 AromaticContact CD1-ND1 3.63Å; Y1161-H1163 AromaticContact CG-CE1 3.85Å; Y1161-H1163 PolarHBondContact O-N 3.19Å; Y1161-F1174 HydrophobicContact CD1-CE1 4.02Å; Y1161-F1174 HydrophobicContact CD1-CZ 4.31Å; Y1161-F1174 AromaticContact CE1-CE1 3.84Å; Y1161-F1174 HydrophobicContact CE1-CE1 3.84Å; Y1161-F1337 AromaticContact CE1-CD1 3.9Å; Y1161-F1337 HydrophobicContact CE1-CD1 3.9Å; Y1161-F1337 HydrophobicContact CE1-CE1 4.2Å | ||
| 1162 | D | 79.7 | Confident | 83.4 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -66.5 | -30.6 | -174 | -148.7 | 31.8 | 0 | 0 | 0 | 113.5 | Q1146 D1150 F1164 E1165 F1166 R1515 | Q1146-D1162 PolarHBondContact NE2-OD2 2.96Å; D1150-D1162 PolarHBondContact OD2-N 2.93Å; D1162-F1164 PolarHBondContact O-N 2.91Å; D1162-F1164 VanDerWaalsContact O-N 3.12Å; D1162-E1165 PolarHBondContact O-N 3.36Å; D1162-F1166 PolarHBondContact O-N 3.39Å; D1162-R1515 VanDerWaalsContact CA-NH2 3.31Å; D1162-R1515 VanDerWaalsContact CG-CZ 3.43Å; D1162-R1515 VanDerWaalsContact CG-NH2 3.33Å; D1162-R1515 IonicContact OD1-CZ 3.43Å; D1162-R1515 IonicContact OD1-NE 3.13Å; D1162-R1515 PolarHBondContact OD1-NE 3.34Å; D1162-R1515 VanDerWaalsContact OD1-NE 3.09Å; D1162-R1515 IonicContact OD1-NH2 3.19Å; D1162-R1515 PolarHBondContact OD1-NH2 3.05Å; D1162-R1515 IonicContact OD2-NE 3.92Å; D1162-R1515 PolarHBondContact OD2-NE 3.33Å |
| 1163 | H | 83.2 | Confident | 83.5 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -70.2 | -10.3 | -172.8 | 69.2 | -85.9 | 0 | 0 | 0 | 113.4 | F1143 Y1161 P1167 F1174 F1337 W1338 | F1143-H1163 HydrophobicContact CD2-CB 4.47Å; F1143-H1163 HydrophobicContact CE2-CB 4.04Å; Y1161-H1163 VanDerWaalsContact C-N 3.31Å; Y1161-H1163 VanDerWaalsContact CB-CE1 3.41Å; Y1161-H1163 WeakPolarHBondContact CB-CE1 3.41Å; Y1161-H1163 WeakPolarHBondContact CB-ND1 3.26Å; Y1161-H1163 AromaticContact CD1-CE1 3.51Å; Y1161-H1163 AromaticContact CD1-ND1 3.63Å; Y1161-H1163 AromaticContact CG-CE1 3.85Å; Y1161-H1163 PolarHBondContact O-N 3.19Å; H1163-P1167 WeakPolarHBondContact O-CA 3.46Å; H1163-P1167 VanDerWaalsContact O-CB 3.23Å; H1163-P1167 WeakPolarHBondContact O-CB 3.42Å; H1163-P1167 VanDerWaalsContact O-N 3.16Å; H1163-F1174 AromaticContact CE1-CZ 3.59Å; H1163-F1174 AromaticContact ND1-CZ 3.5Å; H1163-F1174 WeakPolarHBondContact ND1-CZ 3.35Å; H1163-F1337 PolarHBondContact CE1-O 3.33Å; H1163-F1337 PolarHBondContact NE2-O 3.05Å; H1163-W1338 HydrophobicContact CB-CH2 4.15Å; H1163-W1338 HydrophobicContact CB-CZ3 4.35Å; H1163-W1338 AromaticContact CD2-CE3 3.64Å; H1163-W1338 AromaticContact CD2-CZ3 3.62Å |
| 1164 | F | 79.4 | Confident | 83.8 | Confident | 90 Ų | 90 | 55.4 Ų | 55.4 | 40% | 0.395 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -77.2 | -30.4 | 170.4 | -67.5 | -65.5 | 0 | 0 | 0 | 112.2 | L1158 D1162 F1337 N1339 | L1158-F1164 HydrophobicContact CB-CE2 4.21Å; L1158-F1164 WeakPolarHBondContact O-CD2 3.25Å; L1158-F1164 WeakPolarHBondContact O-CE2 3.44Å; D1162-F1164 PolarHBondContact O-N 2.91Å; D1162-F1164 VanDerWaalsContact O-N 3.12Å; F1164-F1337 WeakPolarHBondContact CZ-O 3.26Å; F1164-N1339 HydrophobicContact CE1-CB 4.03Å; F1164-N1339 HydrophobicContact CZ-CB 3.99Å |
| 1165 | E | 70.8 | Confident | 84 | Confident | 142 Ų | 142 | 53.8 Ų | 53.8 | 66% | 0.664 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -39.2 | 173.6 | -66.8 | 178.5 | -175.8 | 0 | 0 | 111 | D1162 P1167 | D1162-E1165 PolarHBondContact O-N 3.36Å; E1165-P1167 VanDerWaalsContact C-CD 3.5Å; E1165-P1167 WeakPolarHBondContact O-CD 3.31Å |
| 1166 | F | 72.9 | Confident | 84.3 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 25% | 0.25 | 28% | 0.279 | C | S | . | . | trans | -126.7 | 70 | -177.1 | -56.2 | -81.8 | 0 | 0 | 0 | 111.5 | D1162 G1168 K1527 | D1162-F1166 PolarHBondContact O-N 3.39Å; F1166-G1168 PolarHBondContact O-N 3.48Å; F1166-K1527 HydrophobicContact CZ-CB 3.97Å | ||
| 1167 | P | 70.3 | Confident | 84.6 | Confident | 59 Ų | 59 | 44.4 Ų | 44.4 | 38% | 0.383 | 24% | 0.244 | S | C | . | . | trans | -67.8 | -16.5 | -174.2 | 25.1 | -34.4 | 0 | 0 | 0 | 114.5 | H1163 E1165 W1338 | H1163-P1167 WeakPolarHBondContact O-CA 3.46Å; H1163-P1167 VanDerWaalsContact O-CB 3.23Å; H1163-P1167 WeakPolarHBondContact O-CB 3.42Å; H1163-P1167 VanDerWaalsContact O-N 3.16Å; E1165-P1167 VanDerWaalsContact C-CD 3.5Å; E1165-P1167 WeakPolarHBondContact O-CD 3.31Å; P1167-W1338 HydrophobicContact CB-CH2 4.21Å; P1167-W1338 HydrophobicContact CB-CZ3 3.87Å; P1167-W1338 WeakPolarHBondContact O-CH2 3.19Å | ||
| 1168 | G | 75.3 | Confident | 84.9 | Confident | 57 Ų | 57 | 43.8 Ų | 43.8 | 59% | 0.588 | 24% | 0.24 | S | C | * | . | trans | 69 | 178.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1166 V1170 | F1166-G1168 PolarHBondContact O-N 3.48Å; G1168-V1170 VanDerWaalsContact C-N 3.34Å; G1168-V1170 PolarHBondContact O-N 2.86Å | ||
| 1169 | V | 77.3 | Confident | 85.3 | Confident | 80 Ų | 80 | 47.3 Ų | 47.3 | 49% | 0.485 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -67.9 | -34.9 | -172.4 | -174.5 | 0 | 0 | 0 | 0 | 112.5 | Y1351 W1361 | V1169-Y1351 HydrophobicContact CG1-CE1 3.8Å; V1169-Y1351 HydrophobicContact CG1-CE2 4Å; V1169-Y1351 VanDerWaalsContact CG1-CZ 3.4Å; V1169-Y1351 VanDerWaalsContact CG1-OH 3.23Å; V1169-Y1351 WeakPolarHBondContact CG1-OH 3.48Å; V1169-W1361 HydrophobicContact CG2-CH2 4.32Å; V1169-W1361 HydrophobicContact CG2-CZ2 3.87Å |
| 1170 | V | 84.5 | Confident | 85.7 | Confident | 12 Ų | 12 | 42.4 Ų | 42.4 | 7% | 0.073 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -142.8 | 141.3 | -177.8 | -77.2 | 0 | 0 | 0 | 0 | 109.5 | G1168 V1348 Y1351 | G1168-V1170 VanDerWaalsContact C-N 3.34Å; G1168-V1170 PolarHBondContact O-N 2.86Å; V1170-V1348 HydrophobicContact CB-CG2 3.9Å; V1170-V1348 HydrophobicContact CG2-CG2 3.83Å; V1170-Y1351 HydrophobicContact CG1-CD1 3.76Å; V1170-Y1351 HydrophobicContact CG1-CD2 3.88Å; V1170-Y1351 HydrophobicContact CG1-CE1 4.39Å; V1170-Y1351 HydrophobicContact CG1-CE2 4.48Å; V1170-Y1351 HydrophobicContact CG1-CG 3.49Å; V1170-Y1351 VanDerWaalsContact CG1-CG 3.49Å |
| 1171 | P | 88.6 | Confident | 86.2 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 5% | 0.045 | 20% | 0.195 | C | C | . | . | trans | -62.8 | 149.2 | 179.1 | 27.3 | -34 | 0 | 0 | 0 | 110.7 | W1338 V1342 T1347 | P1171-W1338 HydrophobicContact CB-CD2 4.07Å; P1171-W1338 HydrophobicContact CB-CH2 4.18Å; P1171-W1338 HydrophobicContact CB-CZ2 3.69Å; P1171-V1342 HydrophobicContact CB-CG2 4.12Å; P1171-V1342 HydrophobicContact CG-CG2 3.72Å; P1171-T1347 HydrophobicContact CG-CG2 3.8Å | ||
| 1172 | R | 89.6 | Confident | 86.4 | Confident | 58 Ų | 58 | 39.2 Ų | 39.2 | 22% | 0.219 | 22% | 0.219 | C | C | . | . | trans | -124.3 | 155.3 | 179.3 | -61 | -59.3 | -177.3 | -174.5 | -3.4 | 109.5 | F1143 W1338 | F1143-R1172 HydrophobicContact CD1-CB 3.43Å; F1143-R1172 VanDerWaalsContact CD1-CB 3.43Å; F1143-R1172 HydrophobicContact CD1-CG 3.92Å; F1143-R1172 HydrophobicContact CD2-CB 4.49Å; F1143-R1172 HydrophobicContact CE1-CB 3.32Å; F1143-R1172 HydrophobicContact CE1-CG 4.29Å; F1143-R1172 HydrophobicContact CE2-CB 4.37Å; F1143-R1172 HydrophobicContact CG-CB 4.06Å; F1143-R1172 HydrophobicContact CG-CG 4.16Å; F1143-R1172 HydrophobicContact CZ-CB 3.82Å; R1172-W1338 PolarHBondContact O-NE1 2.94Å | ||
| 1173 | T | 93.5 | Very high | 87.1 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | trans | -73.3 | 139.5 | -179.3 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | I1175 P1177 V1288 F1289 D1334 | T1173-I1175 VanDerWaalsContact C-N 3.32Å; T1173-I1175 WeakPolarHBondContact OG1-CB 3.17Å; T1173-I1175 WeakPolarHBondContact OG1-CG1 3.44Å; T1173-I1175 PolarHBondContact OG1-N 2.93Å; T1173-I1175 VanDerWaalsContact OG1-N 3.15Å; T1173-P1177 WeakPolarHBondContact O-CD 3.33Å; T1173-V1288 HydrophobicContact CG2-CG1 4.12Å; T1173-V1288 VanDerWaalsContact CG2-O 3.23Å; T1173-V1288 WeakPolarHBondContact CG2-O 3.39Å; T1173-F1289 HydrophobicContact CG2-CD1 3.97Å; T1173-F1289 HydrophobicContact CG2-CE1 4.05Å; T1173-D1334 WeakPolarHBondContact CA-OD1 3.48Å; T1173-D1334 WeakPolarHBondContact CB-OD2 3.23Å; T1173-D1334 PolarHBondContact OG1-OD1 3.28Å; T1173-D1334 PolarHBondContact OG1-OD2 3.38Å | ||
| 1174 | F | 94.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -81.6 | -9.4 | 169.6 | -83.7 | -92.2 | 0 | 0 | 0 | 112.8 | F1143 A1147 I1151 Y1161 H1163 G1176 P1177 L1178 D1334 F1337 W1338 | F1143-F1174 HydrophobicContact CE2-CE2 4.26Å; F1143-F1174 HydrophobicContact CE2-CZ 4.24Å; F1143-F1174 HydrophobicContact CZ-CD2 4.16Å; F1143-F1174 HydrophobicContact CZ-CE1 4.49Å; F1143-F1174 AromaticContact CZ-CE2 3.68Å; F1143-F1174 HydrophobicContact CZ-CE2 3.68Å; F1143-F1174 AromaticContact CZ-CZ 3.85Å; F1143-F1174 HydrophobicContact CZ-CZ 3.85Å; A1147-F1174 HydrophobicContact CB-CD1 4.05Å; A1147-F1174 HydrophobicContact CB-CE1 3.63Å; A1147-F1174 HydrophobicContact CB-CZ 4.35Å; I1151-F1174 HydrophobicContact CD1-CD1 4.24Å; Y1161-F1174 HydrophobicContact CD1-CE1 4.02Å; Y1161-F1174 HydrophobicContact CD1-CZ 4.31Å; Y1161-F1174 AromaticContact CE1-CE1 3.84Å; Y1161-F1174 HydrophobicContact CE1-CE1 3.84Å; H1163-F1174 AromaticContact CE1-CZ 3.59Å; H1163-F1174 AromaticContact ND1-CZ 3.5Å; H1163-F1174 WeakPolarHBondContact ND1-CZ 3.35Å; F1174-G1176 VanDerWaalsContact C-N 3.34Å; F1174-G1176 PolarHBondContact O-N 3.48Å; F1174-P1177 WeakPolarHBondContact O-CD 3.43Å; F1174-L1178 WeakPolarHBondContact O-CB 3.33Å; F1174-L1178 VanDerWaalsContact O-CG 3.26Å; F1174-L1178 WeakPolarHBondContact O-CG 3.23Å; F1174-L1178 PolarHBondContact O-N 3.34Å; F1174-D1334 PolarHBondContact N-OD1 3.09Å; F1174-F1337 HydrophobicContact CB-CB 4.2Å; F1174-F1337 HydrophobicContact CB-CD2 3.61Å; F1174-F1337 HydrophobicContact CB-CE2 4.23Å; F1174-F1337 HydrophobicContact CB-CG 3.92Å; F1174-F1337 HydrophobicContact CD1-CB 3.89Å; F1174-F1337 AromaticContact CD1-CD1 3.8Å; F1174-F1337 HydrophobicContact CD1-CD1 3.8Å; F1174-F1337 HydrophobicContact CD1-CD2 4.19Å; F1174-F1337 HydrophobicContact CD1-CE1 4.43Å; F1174-F1337 AromaticContact CD1-CG 3.68Å; F1174-F1337 HydrophobicContact CD1-CG 3.68Å; F1174-F1337 HydrophobicContact CD2-CB 3.27Å; F1174-F1337 HydrophobicContact CD2-CD2 4.34Å; F1174-F1337 AromaticContact CD2-CG 3.89Å; F1174-F1337 HydrophobicContact CD2-CG 3.89Å; F1174-F1337 HydrophobicContact CE1-CB 4.09Å; F1174-F1337 HydrophobicContact CE1-CD1 4.05Å; F1174-F1337 HydrophobicContact CE1-CG 4.16Å; F1174-F1337 HydrophobicContact CE2-CB 3.48Å; F1174-F1337 VanDerWaalsContact CE2-CB 3.48Å; F1174-F1337 HydrophobicContact CE2-CG 4.33Å; F1174-F1337 HydrophobicContact CG-CB 3.5Å; F1174-F1337 VanDerWaalsContact CG-CB 3.5Å; F1174-F1337 HydrophobicContact CG-CD1 4.15Å; F1174-F1337 AromaticContact CG-CD2 3.79Å; F1174-F1337 HydrophobicContact CG-CD2 3.79Å; F1174-F1337 AromaticContact CG-CG 3.53Å; F1174-F1337 HydrophobicContact CG-CG 3.53Å; F1174-F1337 HydrophobicContact CZ-CB 3.89Å; F1174-F1337 HydrophobicContact CZ-CG 4.47Å; F1174-W1338 AromaticContact CD2-NE1 3.85Å; F1174-W1338 AromaticContact CE2-CD1 3.97Å; F1174-W1338 HydrophobicContact CE2-CZ2 4.5Å; F1174-W1338 AromaticContact CE2-NE1 3.64Å |
| 1175 | I | 94.9 | Very high | 88 | Confident | 22 Ų | 22 | 42.2 Ų | 42.2 | 11% | 0.113 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.5 | -42.6 | -179.9 | -68.2 | 171.4 | 0 | 0 | 0 | 111.8 | T1173 Y1179 F1284 V1288 F1289 I1333 | T1173-I1175 VanDerWaalsContact C-N 3.32Å; T1173-I1175 WeakPolarHBondContact OG1-CB 3.17Å; T1173-I1175 WeakPolarHBondContact OG1-CG1 3.44Å; T1173-I1175 PolarHBondContact OG1-N 2.93Å; T1173-I1175 VanDerWaalsContact OG1-N 3.15Å; I1175-Y1179 PolarHBondContact O-N 3.37Å; I1175-F1284 HydrophobicContact CG2-CZ 4.22Å; I1175-V1288 HydrophobicContact CB-CG1 3.9Å; I1175-V1288 HydrophobicContact CD1-CG1 3.57Å; I1175-V1288 HydrophobicContact CD1-CG2 4.26Å; I1175-V1288 HydrophobicContact CG1-CG1 4.29Å; I1175-V1288 HydrophobicContact CG2-CG1 3.98Å; I1175-F1289 HydrophobicContact CG2-CZ 4.26Å; I1175-I1333 HydrophobicContact CD1-CD1 4.21Å; I1175-I1333 HydrophobicContact CG1-CB 4.38Å; I1175-I1333 HydrophobicContact CG1-CD1 4.02Å; I1175-I1333 HydrophobicContact CG1-CG2 4.03Å |
| 1176 | G | 93.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.5 | -53.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1174 L1178 Y1179 L1180 F1258 | F1174-G1176 VanDerWaalsContact C-N 3.34Å; F1174-G1176 PolarHBondContact O-N 3.48Å; G1176-L1178 VanDerWaalsContact C-N 3.34Å; G1176-L1178 PolarHBondContact O-N 3.32Å; G1176-Y1179 WeakPolarHBondContact O-CB 3.31Å; G1176-Y1179 PolarHBondContact O-N 2.83Å; G1176-L1180 PolarHBondContact O-N 3.25Å; G1176-L1180 VanDerWaalsContact O-N 3.07Å; G1176-F1258 WeakPolarHBondContact O-CE1 3.33Å |
| 1177 | P | 94.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -53.8 | -43.7 | 172.7 | -32.1 | 37.1 | 0 | 0 | 0 | 114.4 | N1144 A1147 V1148 I1151 T1173 F1174 Y1179 L1180 A1181 | N1144-P1177 HydrophobicContact CB-CG 4.19Å; N1144-P1177 WeakPolarHBondContact OD1-CG 3.49Å; A1147-P1177 HydrophobicContact CB-CB 3.64Å; A1147-P1177 HydrophobicContact CB-CG 3.62Å; V1148-P1177 HydrophobicContact CG2-CB 3.88Å; I1151-P1177 HydrophobicContact CD1-CB 3.68Å; T1173-P1177 WeakPolarHBondContact O-CD 3.33Å; F1174-P1177 WeakPolarHBondContact O-CD 3.43Å; P1177-Y1179 VanDerWaalsContact C-N 3.34Å; P1177-Y1179 PolarHBondContact O-N 3.47Å; P1177-L1180 PolarHBondContact O-N 2.86Å; P1177-A1181 WeakPolarHBondContact O-CB 3.21Å; P1177-A1181 PolarHBondContact O-N 2.94Å |
| 1178 | L | 95.2 | Very high | 89.8 | Confident | 61 Ų | 61 | 39.4 Ų | 39.4 | 32% | 0.319 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.9 | -43.2 | 175.8 | -77.8 | 167.5 | 0 | 0 | 0 | 112.1 | I1151 F1174 G1176 G1182 I1333 F1337 | I1151-L1178 HydrophobicContact CD1-CD2 3.94Å; I1151-L1178 HydrophobicContact CD1-CG 3.99Å; I1151-L1178 HydrophobicContact CG1-CD2 4.43Å; I1151-L1178 HydrophobicContact CG2-CD2 4.27Å; F1174-L1178 WeakPolarHBondContact O-CB 3.33Å; F1174-L1178 VanDerWaalsContact O-CG 3.26Å; F1174-L1178 WeakPolarHBondContact O-CG 3.23Å; F1174-L1178 PolarHBondContact O-N 3.34Å; G1176-L1178 VanDerWaalsContact C-N 3.34Å; G1176-L1178 PolarHBondContact O-N 3.32Å; L1178-G1182 PolarHBondContact O-N 3.44Å; L1178-I1333 HydrophobicContact CD1-CG2 3.7Å; L1178-F1337 HydrophobicContact CD1-CE2 3.8Å; L1178-F1337 HydrophobicContact CD1-CZ 4.31Å; L1178-F1337 HydrophobicContact CD2-CE2 4.27Å; L1178-F1337 HydrophobicContact CD2-CZ 3.92Å; L1178-F1337 HydrophobicContact CG-CE2 4.32Å; L1178-F1337 HydrophobicContact CG-CZ 4.39Å |
| 1179 | Y | 95 | Very high | 90 | Very high | 105 Ų | 105 | 41.8 Ų | 41.8 | 41% | 0.412 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.4 | -48.7 | 176.4 | 167 | -105.7 | 0 | 0 | 0 | 111.9 | I1175 G1176 P1177 G1182 I1183 T1212 F1258 | I1175-Y1179 PolarHBondContact O-N 3.37Å; G1176-Y1179 WeakPolarHBondContact O-CB 3.31Å; G1176-Y1179 PolarHBondContact O-N 2.83Å; P1177-Y1179 VanDerWaalsContact C-N 3.34Å; P1177-Y1179 PolarHBondContact O-N 3.47Å; Y1179-G1182 PolarHBondContact O-N 3.42Å; Y1179-I1183 HydrophobicContact CD1-CD1 4.3Å; Y1179-I1183 HydrophobicContact CD2-CD1 4.19Å; Y1179-I1183 HydrophobicContact CE1-CD1 3.69Å; Y1179-I1183 HydrophobicContact CE2-CD1 3.56Å; Y1179-I1183 HydrophobicContact CE2-CG1 4.4Å; Y1179-I1183 PolarHBondContact O-N 3.01Å; Y1179-I1183 VanDerWaalsContact O-N 3.17Å; Y1179-I1183 WeakPolarHBondContact OH-CD1 3.33Å; Y1179-T1212 HydrophobicContact CE1-CG2 4.4Å; Y1179-T1212 WeakPolarHBondContact OH-CG2 3.3Å; Y1179-T1212 PolarHBondContact OH-OG1 3.4Å; Y1179-F1258 HydrophobicContact CD1-CE1 4.36Å |
| 1180 | L | 94.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69 | -41.5 | 179.2 | -63.7 | -174.9 | 0 | 0 | 0 | 112.3 | V1148 G1176 P1177 G1182 I1183 V1184 T1205 A1208 L1209 T1253 F1258 | V1148-L1180 HydrophobicContact CG2-CB 3.91Å; V1148-L1180 HydrophobicContact CG2-CD1 4.39Å; G1176-L1180 PolarHBondContact O-N 3.25Å; G1176-L1180 VanDerWaalsContact O-N 3.07Å; P1177-L1180 PolarHBondContact O-N 2.86Å; L1180-G1182 VanDerWaalsContact C-N 3.27Å; L1180-G1182 PolarHBondContact O-N 3.29Å; L1180-I1183 PolarHBondContact O-N 3.47Å; L1180-I1183 VanDerWaalsContact O-N 3.15Å; L1180-V1184 WeakPolarHBondContact O-CB 3.23Å; L1180-V1184 WeakPolarHBondContact O-CG2 3.46Å; L1180-V1184 PolarHBondContact O-N 3.28Å; L1180-T1205 HydrophobicContact CB-CG2 4.15Å; L1180-T1205 HydrophobicContact CD1-CG2 3.8Å; L1180-A1208 HydrophobicContact CD2-CB 4.09Å; L1180-L1209 HydrophobicContact CD1-CB 4.1Å; L1180-L1209 HydrophobicContact CD2-CB 3.89Å; L1180-T1253 HydrophobicContact CD1-CG2 3.77Å; L1180-F1258 HydrophobicContact CD1-CE1 3.77Å; L1180-F1258 HydrophobicContact CD1-CZ 3.4Å; L1180-F1258 HydrophobicContact CD2-CE1 4.14Å; L1180-F1258 HydrophobicContact CG-CE1 3.69Å; L1180-F1258 HydrophobicContact CG-CZ 3.81Å |
| 1181 | A | 94.1 | Very high | 88.6 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.1 | -43.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | V1148 I1151 L1152 P1177 I1183 V1184 F1185 | V1148-A1181 HydrophobicContact CG1-CB 4.18Å; I1151-A1181 HydrophobicContact CB-CB 4Å; I1151-A1181 HydrophobicContact CD1-CB 4.47Å; I1151-A1181 HydrophobicContact CG2-CB 3.51Å; L1152-A1181 HydrophobicContact CD2-CB 4.07Å; L1152-A1181 HydrophobicContact CG-CB 4.14Å; P1177-A1181 WeakPolarHBondContact O-CB 3.21Å; P1177-A1181 PolarHBondContact O-N 2.94Å; A1181-I1183 VanDerWaalsContact C-N 3.33Å; A1181-I1183 PolarHBondContact O-N 2.87Å; A1181-V1184 PolarHBondContact O-N 3.46Å; A1181-F1185 WeakPolarHBondContact O-CA 3.48Å; A1181-F1185 WeakPolarHBondContact O-CB 3.22Å; A1181-F1185 PolarHBondContact O-N 3.35Å |
| 1182 | G | 93.6 | Very high | 87.1 | Confident | 51 Ų | 51 | 54.9 Ų | 54.9 | 53% | 0.526 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59 | -39.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1178 Y1179 L1180 | L1178-G1182 PolarHBondContact O-N 3.44Å; Y1179-G1182 PolarHBondContact O-N 3.42Å; L1180-G1182 VanDerWaalsContact C-N 3.27Å; L1180-G1182 PolarHBondContact O-N 3.29Å |
| 1183 | I | 93.1 | Very high | 85.6 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 38% | 0.379 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -70.1 | -39.3 | 176.3 | -68.2 | 170.8 | 0 | 0 | 0 | 111.8 | Y1179 L1180 A1181 P1186 A1208 | Y1179-I1183 HydrophobicContact CD1-CD1 4.3Å; Y1179-I1183 HydrophobicContact CD2-CD1 4.19Å; Y1179-I1183 HydrophobicContact CE1-CD1 3.69Å; Y1179-I1183 HydrophobicContact CE2-CD1 3.56Å; Y1179-I1183 HydrophobicContact CE2-CG1 4.4Å; Y1179-I1183 PolarHBondContact O-N 3.01Å; Y1179-I1183 VanDerWaalsContact O-N 3.17Å; Y1179-I1183 WeakPolarHBondContact OH-CD1 3.33Å; L1180-I1183 PolarHBondContact O-N 3.47Å; L1180-I1183 VanDerWaalsContact O-N 3.15Å; A1181-I1183 VanDerWaalsContact C-N 3.33Å; A1181-I1183 PolarHBondContact O-N 2.87Å; I1183-P1186 WeakPolarHBondContact O-CD 3.27Å; I1183-A1208 HydrophobicContact CB-CB 4.29Å; I1183-A1208 HydrophobicContact CG2-CB 3.69Å |
| 1184 | V | 91.5 | Very high | 84 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -85.9 | -20.1 | -175 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | L1152 L1180 A1181 P1186 L1187 R1188 L1201 C1204 A1208 | L1152-V1184 HydrophobicContact CD1-CB 4.48Å; L1152-V1184 HydrophobicContact CD1-CG1 4.07Å; L1180-V1184 WeakPolarHBondContact O-CB 3.23Å; L1180-V1184 WeakPolarHBondContact O-CG2 3.46Å; L1180-V1184 PolarHBondContact O-N 3.28Å; A1181-V1184 PolarHBondContact O-N 3.46Å; V1184-P1186 VanDerWaalsContact C-CD 3.46Å; V1184-L1187 WeakPolarHBondContact O-CB 3.31Å; V1184-L1187 PolarHBondContact O-N 2.93Å; V1184-R1188 PolarHBondContact O-N 3.39Å; V1184-L1201 HydrophobicContact CG1-CD2 3.88Å; V1184-C1204 HydrophobicContact CG1-CB 4.36Å; V1184-C1204 HydrophobicContact CG2-CB 4.49Å; V1184-A1208 HydrophobicContact CG2-CB 4.32Å |
| 1185 | F | 90.2 | Very high | 82.5 | Confident | 93 Ų | 93 | 70.7 Ų | 70.7 | 41% | 0.408 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -53.1 | -41.4 | -176.7 | -173.9 | -100.8 | 0 | 0 | 0 | 114.3 | L1152 A1181 L1187 R1188 L1189 | L1152-F1185 HydrophobicContact CD2-CB 4.14Å; L1152-F1185 HydrophobicContact CD2-CD2 4.04Å; A1181-F1185 WeakPolarHBondContact O-CA 3.48Å; A1181-F1185 WeakPolarHBondContact O-CB 3.22Å; A1181-F1185 PolarHBondContact O-N 3.35Å; F1185-L1187 VanDerWaalsContact C-N 3.28Å; F1185-L1187 PolarHBondContact O-N 3.36Å; F1185-R1188 WeakPolarHBondContact O-CB 3.48Å; F1185-R1188 PolarHBondContact O-N 3.05Å; F1185-R1188 VanDerWaalsContact O-N 3.1Å; F1185-L1189 HydrophobicContact CD1-CD1 4.06Å; F1185-L1189 HydrophobicContact CD1-CG 4.24Å; F1185-L1189 HydrophobicContact CE1-CD1 3.75Å; F1185-L1189 HydrophobicContact CE1-CD2 4.02Å; F1185-L1189 HydrophobicContact CE1-CG 3.92Å; F1185-L1189 HydrophobicContact CZ-CD2 4.04Å; F1185-L1189 HydrophobicContact CZ-CG 4.37Å; F1185-L1189 PolarHBondContact O-N 3.28Å |
| 1186 | P | 87.5 | Confident | 81.3 | Confident | 75 Ų | 75 | 72.4 Ų | 72.4 | 49% | 0.487 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.9 | -36.4 | 174.5 | -25 | 35.7 | 0 | 0 | 0 | 113.6 | I1183 V1184 R1188 L1189 L1190 | I1183-P1186 WeakPolarHBondContact O-CD 3.27Å; V1184-P1186 VanDerWaalsContact C-CD 3.46Å; P1186-R1188 VanDerWaalsContact C-N 3.3Å; P1186-R1188 PolarHBondContact O-N 2.92Å; P1186-L1189 PolarHBondContact O-N 2.84Å; P1186-L1190 PolarHBondContact O-N 3.38Å |
| 1187 | L | 83.9 | Confident | 80.5 | Confident | 62 Ų | 62 | 74.5 Ų | 74.5 | 33% | 0.325 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.3 | -31.4 | 177.5 | -60.6 | 175.3 | 0 | 0 | 0 | 111.9 | V1184 F1185 L1190 L1201 C1204 | V1184-L1187 WeakPolarHBondContact O-CB 3.31Å; V1184-L1187 PolarHBondContact O-N 2.93Å; F1185-L1187 VanDerWaalsContact C-N 3.28Å; F1185-L1187 PolarHBondContact O-N 3.36Å; L1187-L1190 HydrophobicContact CD2-CD1 4.28Å; L1187-L1190 WeakPolarHBondContact O-CB 3.29Å; L1187-L1190 PolarHBondContact O-N 3.4Å; L1187-L1201 HydrophobicContact CB-CD2 4.16Å; L1187-C1204 HydrophobicContact CD1-CB 3.81Å |
| 1188 | R | 80.5 | Confident | 80.1 | Confident | 61 Ų | 61 | 77 Ų | 77 | 23% | 0.23 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68 | -37 | 171.7 | 179.3 | -153.1 | 170.9 | 84.6 | 0.1 | 111.5 | L1152 F1153 V1184 F1185 P1186 L1190 D1191 | L1152-R1188 PolarHBondContact O-NE 3.35Å; L1152-R1188 PolarHBondContact O-NH1 3.27Å; L1152-R1188 PolarHBondContact O-NH2 2.89Å; F1153-R1188 VanDerWaalsContact CA-NH1 3.29Å; V1184-R1188 PolarHBondContact O-N 3.39Å; F1185-R1188 WeakPolarHBondContact O-CB 3.48Å; F1185-R1188 PolarHBondContact O-N 3.05Å; F1185-R1188 VanDerWaalsContact O-N 3.1Å; P1186-R1188 VanDerWaalsContact C-N 3.3Å; P1186-R1188 PolarHBondContact O-N 2.92Å; R1188-L1190 PolarHBondContact O-N 3.25Å; R1188-D1191 WeakPolarHBondContact O-CB 3.39Å; R1188-D1191 PolarHBondContact O-N 2.93Å |
| 1189 | L | 79.4 | Confident | 79.7 | Confident | 108 Ų | 108 | 76.1 Ų | 76.1 | 57% | 0.565 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.8 | -28.1 | 176 | -67 | 175.7 | 0 | 0 | 0 | 112.3 | F1185 P1186 D1191 | F1185-L1189 HydrophobicContact CD1-CD1 4.06Å; F1185-L1189 HydrophobicContact CD1-CG 4.24Å; F1185-L1189 HydrophobicContact CE1-CD1 3.75Å; F1185-L1189 HydrophobicContact CE1-CD2 4.02Å; F1185-L1189 HydrophobicContact CE1-CG 3.92Å; F1185-L1189 HydrophobicContact CZ-CD2 4.04Å; F1185-L1189 HydrophobicContact CZ-CG 4.37Å; F1185-L1189 PolarHBondContact O-N 3.28Å; P1186-L1189 PolarHBondContact O-N 2.84Å; L1189-D1191 PolarHBondContact O-N 3.3Å |
| 1190 | L | 71.6 | Confident | 79.4 | Confident | 84 Ų | 84 | 77.9 Ų | 77.9 | 44% | 0.44 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -3.8 | 173.8 | -62.6 | 174.2 | 0 | 0 | 0 | 113.9 | P1186 L1187 R1188 Y1192 P1193 I1194 | P1186-L1190 PolarHBondContact O-N 3.38Å; L1187-L1190 HydrophobicContact CD2-CD1 4.28Å; L1187-L1190 WeakPolarHBondContact O-CB 3.29Å; L1187-L1190 PolarHBondContact O-N 3.4Å; R1188-L1190 PolarHBondContact O-N 3.25Å; L1190-Y1192 PolarHBondContact O-N 3.15Å; L1190-P1193 WeakPolarHBondContact O-CD 3.39Å; L1190-P1193 WeakPolarHBondContact O-CG 3.28Å; L1190-I1194 PolarHBondContact O-N 3.44Å |
| 1191 | D | 61.1 | Low | 79.1 | Confident | 62 Ų | 62 | 77.9 Ų | 77.9 | 33% | 0.332 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.8 | -28.8 | 175.1 | -161.2 | 21.1 | 0 | 0 | 0 | 111.8 | R1188 L1189 K1195 F1196 | R1188-D1191 WeakPolarHBondContact O-CB 3.39Å; R1188-D1191 PolarHBondContact O-N 2.93Å; L1189-D1191 PolarHBondContact O-N 3.3Å; D1191-K1195 PolarHBondContact O-N 3.35Å; D1191-K1195 VanDerWaalsContact O-N 3.1Å; D1191-K1195 WeakPolarHBondContact OD1-CA 3.32Å; D1191-F1196 PolarHBondContact OD1-N 2.98Å |
| 1192 | Y | 57.8 | Low | 79 | Confident | 228 Ų | 228 | 77.9 Ų | 77.9 | 89% | 0.894 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.4 | -41 | 179.5 | -150.1 | -93.7 | 0 | 0 | 0 | 113.1 | L1190 | L1190-Y1192 PolarHBondContact O-N 3.15Å |
| 1193 | P | 58.3 | Low | 78.8 | Confident | 99 Ų | 99 | 77.1 Ų | 77.1 | 64% | 0.643 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -88.8 | -36.5 | 170 | 28.1 | -34.5 | 0 | 0 | 0 | 116.2 | L1190 | L1190-P1193 WeakPolarHBondContact O-CD 3.39Å; L1190-P1193 WeakPolarHBondContact O-CG 3.28Å |
| 1194 | I | 58.5 | Low | 78.8 | Confident | 111 Ų | 111 | 74.8 Ų | 74.8 | 57% | 0.569 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -108 | -6.7 | -162.3 | -60.7 | 169.9 | 0 | 0 | 0 | 113.8 | L1190 | L1190-I1194 PolarHBondContact O-N 3.44Å |
| 1195 | K | 63.6 | Low | 78.8 | Confident | 185 Ų | 185 | 74.7 Ų | 74.7 | 80% | 0.804 | 37% | 0.366 | S | S | * | . | trans | 50 | 58.7 | -173.4 | -69.6 | -173.6 | 178.2 | 178.8 | 0 | 112 | D1191 S1197 | D1191-K1195 PolarHBondContact O-N 3.35Å; D1191-K1195 VanDerWaalsContact O-N 3.1Å; D1191-K1195 WeakPolarHBondContact OD1-CA 3.32Å; K1195-S1197 PolarHBondContact O-N 2.83Å; K1195-S1197 VanDerWaalsContact O-N 3.1Å | ||
| 1196 | F | 69.8 | Low | 79 | Confident | 57 Ų | 57 | 70.3 Ų | 70.3 | 25% | 0.25 | 35% | 0.347 | C | S | . | . | trans | -71.3 | 104.1 | -178.6 | -148.7 | -93.7 | 0 | 0 | 0 | 110.2 | D1191 Y1200 L1201 | D1191-F1196 PolarHBondContact OD1-N 2.98Å; F1196-Y1200 HydrophobicContact CE1-CG 4.4Å; F1196-L1201 HydrophobicContact CD1-CD2 3.73Å; F1196-L1201 HydrophobicContact CD1-CG 3.92Å; F1196-L1201 HydrophobicContact CE1-CD2 4.11Å; F1196-L1201 HydrophobicContact CE1-CG 4.46Å | ||
| 1197 | S | 77.6 | Confident | 79.3 | Confident | 45 Ų | 45 | 68.6 Ų | 68.6 | 32% | 0.315 | 33% | 0.333 | S | S | . | . | trans | -61.8 | 144 | -173.6 | 85.5 | 0 | 0 | 0 | 0 | 113.1 | K1195 P1199 Y1200 L1201 | K1195-S1197 PolarHBondContact O-N 2.83Å; K1195-S1197 VanDerWaalsContact O-N 3.1Å; S1197-P1199 VanDerWaalsContact C-CD 3.46Å; S1197-P1199 VanDerWaalsContact C-N 3.33Å; S1197-P1199 WeakPolarHBondContact OG-CD 3.4Å; S1197-Y1200 WeakPolarHBondContact O-CB 3.4Å; S1197-Y1200 PolarHBondContact O-N 2.81Å; S1197-Y1200 WeakPolarHBondContact OG-CD2 3.33Å; S1197-Y1200 VanDerWaalsContact OG-CE2 3.31Å; S1197-Y1200 WeakPolarHBondContact OG-CE2 3.3Å; S1197-L1201 PolarHBondContact O-N 3.35Å | ||
| 1198 | K | 86.1 | Confident | 79.7 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 23% | 0.23 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -50.8 | -40.5 | 179.6 | -66.9 | -171.1 | 178.7 | -176.8 | 0 | 114.3 | H1149 F1153 Y1200 L1201 Q1202 F1516 Q1518 | H1149-K1198 PolarHBondContact NE2-NZ 3.47Å; F1153-K1198 HydrophobicContact CE1-CD 4.46Å; F1153-K1198 HydrophobicContact CE1-CG 4.19Å; F1153-K1198 HydrophobicContact CE2-CD 4.49Å; F1153-K1198 HydrophobicContact CE2-CG 4.34Å; F1153-K1198 HydrophobicContact CZ-CD 4.16Å; F1153-K1198 HydrophobicContact CZ-CG 3.7Å; K1198-Y1200 VanDerWaalsContact C-N 3.27Å; K1198-Y1200 PolarHBondContact O-N 3.16Å; K1198-L1201 WeakPolarHBondContact O-CB 3.35Å; K1198-L1201 PolarHBondContact O-N 3.36Å; K1198-Q1202 PolarHBondContact O-N 2.95Å; K1198-Q1202 VanDerWaalsContact O-N 3.1Å; K1198-F1516 CarbonylContact C-O 3.51Å; K1198-F1516 HydrophobicContact CB-CB 4.47Å; K1198-F1516 HydrophobicContact CB-CD1 4.29Å; K1198-F1516 WeakPolarHBondContact CB-O 3.46Å; K1198-F1516 VanDerWaalsContact O-CD1 3.32Å; K1198-F1516 WeakPolarHBondContact O-CD1 3.33Å; K1198-Q1518 WeakPolarHBondContact CD-O 3.22Å; K1198-Q1518 PolarHBondContact NZ-O 3.38Å |
| 1199 | P | 86.5 | Confident | 80.4 | Confident | 42 Ų | 42 | 63.4 Ų | 63.4 | 27% | 0.273 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.1 | -34.8 | 174.8 | -27.3 | 34.8 | 0 | 0 | 0 | 114.2 | S1197 Q1202 L1203 F1516 L1517 V1519 | S1197-P1199 VanDerWaalsContact C-CD 3.46Å; S1197-P1199 VanDerWaalsContact C-N 3.33Å; S1197-P1199 WeakPolarHBondContact OG-CD 3.4Å; P1199-Q1202 WeakPolarHBondContact O-CB 3.45Å; P1199-Q1202 PolarHBondContact O-N 3.08Å; P1199-L1203 PolarHBondContact O-N 3.05Å; P1199-L1203 VanDerWaalsContact O-N 3.16Å; P1199-F1516 WeakPolarHBondContact CD-O 3.45Å; P1199-L1517 HydrophobicContact CB-CD2 3.95Å; P1199-L1517 HydrophobicContact CG-CD2 3.92Å; P1199-V1519 HydrophobicContact CG-CG1 4.1Å |
| 1200 | Y | 87.3 | Confident | 81.1 | Confident | 141 Ų | 141 | 58.3 Ų | 58.3 | 55% | 0.553 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -70.2 | -34.9 | 174.9 | -64.1 | -58.3 | 0 | 0 | 0 | 111.7 | F1196 S1197 K1198 Q1202 L1203 C1204 | F1196-Y1200 HydrophobicContact CE1-CG 4.4Å; S1197-Y1200 WeakPolarHBondContact O-CB 3.4Å; S1197-Y1200 PolarHBondContact O-N 2.81Å; S1197-Y1200 WeakPolarHBondContact OG-CD2 3.33Å; S1197-Y1200 VanDerWaalsContact OG-CE2 3.31Å; S1197-Y1200 WeakPolarHBondContact OG-CE2 3.3Å; K1198-Y1200 VanDerWaalsContact C-N 3.27Å; K1198-Y1200 PolarHBondContact O-N 3.16Å; Y1200-Q1202 VanDerWaalsContact C-N 3.31Å; Y1200-Q1202 PolarHBondContact O-N 3.34Å; Y1200-L1203 WeakPolarHBondContact O-CB 3.46Å; Y1200-L1203 PolarHBondContact O-N 2.96Å; Y1200-L1203 VanDerWaalsContact O-N 3.16Å; Y1200-C1204 PolarHBondContact O-N 3.06Å; Y1200-C1204 PolarHBondContact O-SG 3.23Å |
| 1201 | L | 89.5 | Confident | 82.2 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.5 | -34.4 | 173.3 | -67 | 173.4 | 0 | 0 | 0 | 112.3 | F1153 V1184 L1187 F1196 S1197 K1198 C1204 T1205 F1516 | F1153-L1201 HydrophobicContact CE2-CD1 4.34Å; F1153-L1201 HydrophobicContact CZ-CD1 3.82Å; V1184-L1201 HydrophobicContact CG1-CD2 3.88Å; L1187-L1201 HydrophobicContact CB-CD2 4.16Å; F1196-L1201 HydrophobicContact CD1-CD2 3.73Å; F1196-L1201 HydrophobicContact CD1-CG 3.92Å; F1196-L1201 HydrophobicContact CE1-CD2 4.11Å; F1196-L1201 HydrophobicContact CE1-CG 4.46Å; S1197-L1201 PolarHBondContact O-N 3.35Å; K1198-L1201 WeakPolarHBondContact O-CB 3.35Å; K1198-L1201 PolarHBondContact O-N 3.36Å; L1201-C1204 PolarHBondContact O-N 3.36Å; L1201-T1205 WeakPolarHBondContact O-CB 3.13Å; L1201-T1205 PolarHBondContact O-N 3.39Å; L1201-T1205 PolarHBondContact O-OG1 2.78Å; L1201-F1516 HydrophobicContact CB-CD1 4.07Å; L1201-F1516 HydrophobicContact CB-CE1 3.76Å |
| 1202 | Q | 91.3 | Very high | 83.8 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 169.8 | 172.4 | 175.4 | -54.9 | 0 | 0 | 111 | P1135 M1145 K1198 P1199 Y1200 C1204 T1205 R1206 T1514 F1516 | P1135-Q1202 PolarHBondContact O-NE2 2.94Å; M1145-Q1202 HydrophobicContact CE-CG 4.06Å; M1145-Q1202 HydrophobicContact SD-CG 3.95Å; K1198-Q1202 PolarHBondContact O-N 2.95Å; K1198-Q1202 VanDerWaalsContact O-N 3.1Å; P1199-Q1202 WeakPolarHBondContact O-CB 3.45Å; P1199-Q1202 PolarHBondContact O-N 3.08Å; Y1200-Q1202 VanDerWaalsContact C-N 3.31Å; Y1200-Q1202 PolarHBondContact O-N 3.34Å; Q1202-C1204 PolarHBondContact O-N 3Å; Q1202-T1205 WeakPolarHBondContact O-CB 3.2Å; Q1202-T1205 PolarHBondContact O-N 3.42Å; Q1202-R1206 WeakPolarHBondContact O-CG 2.86Å; Q1202-R1206 PolarHBondContact O-N 3.48Å; Q1202-T1514 PolarHBondContact OE1-OG1 3.29Å; Q1202-F1516 HydrophobicContact CB-CB 3.73Å; Q1202-F1516 HydrophobicContact CB-CD1 4.37Å; Q1202-F1516 HydrophobicContact CB-CD2 3.91Å; Q1202-F1516 HydrophobicContact CB-CG 3.79Å; Q1202-F1516 HydrophobicContact CG-CD2 4.45Å |
| 1203 | L | 90.8 | Very high | 85.6 | Confident | 34 Ų | 34 | 43.6 Ų | 43.6 | 18% | 0.178 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -46.6 | 177 | -179.4 | 62 | 0 | 0 | 0 | 110.8 | A1131 V1132 P1199 Y1200 T1205 R1206 L1207 | A1131-L1203 HydrophobicContact CB-CD1 4.09Å; A1131-L1203 WeakPolarHBondContact O-CD1 3.46Å; V1132-L1203 HydrophobicContact CG2-CD2 4.27Å; P1199-L1203 PolarHBondContact O-N 3.05Å; P1199-L1203 VanDerWaalsContact O-N 3.16Å; Y1200-L1203 WeakPolarHBondContact O-CB 3.46Å; Y1200-L1203 PolarHBondContact O-N 2.96Å; Y1200-L1203 VanDerWaalsContact O-N 3.16Å; L1203-T1205 VanDerWaalsContact C-N 3.3Å; L1203-T1205 PolarHBondContact O-N 2.99Å; L1203-R1206 WeakPolarHBondContact O-CB 3.48Å; L1203-R1206 PolarHBondContact O-N 3.41Å; L1203-R1206 VanDerWaalsContact O-N 3.14Å; L1203-L1207 HydrophobicContact CD1-CD1 4.39Å; L1203-L1207 HydrophobicContact CD1-CG 4.27Å; L1203-L1207 HydrophobicContact CG-CD1 4.02Å; L1203-L1207 HydrophobicContact CG-CG 4.32Å; L1203-L1207 VanDerWaalsContact O-CG 3.28Å; L1203-L1207 WeakPolarHBondContact O-CG 3.32Å; L1203-L1207 PolarHBondContact O-N 3.38Å |
| 1204 | C | 91.2 | Very high | 87.3 | Confident | 25 Ų | 25 | 39 Ų | 39 | 17% | 0.169 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.2 | -39 | 176.2 | -67.6 | 0 | 0 | 0 | 0 | 112.6 | V1184 L1187 Y1200 L1201 Q1202 R1206 L1207 A1208 | V1184-C1204 HydrophobicContact CG1-CB 4.36Å; V1184-C1204 HydrophobicContact CG2-CB 4.49Å; L1187-C1204 HydrophobicContact CD1-CB 3.81Å; Y1200-C1204 PolarHBondContact O-N 3.06Å; Y1200-C1204 PolarHBondContact O-SG 3.23Å; L1201-C1204 PolarHBondContact O-N 3.36Å; Q1202-C1204 PolarHBondContact O-N 3Å; C1204-R1206 VanDerWaalsContact C-N 3.35Å; C1204-R1206 PolarHBondContact O-N 3.41Å; C1204-L1207 PolarHBondContact O-N 2.91Å; C1204-A1208 WeakPolarHBondContact O-CB 3.43Å; C1204-A1208 PolarHBondContact O-N 3.29Å |
| 1205 | T | 92.7 | Very high | 89 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 175 | -60 | 0 | 0 | 0 | 0 | 111.4 | M1145 V1148 L1180 L1201 Q1202 L1203 A1208 L1209 T1253 | M1145-T1205 HydrophobicContact CE-CG2 4.29Å; M1145-T1205 HydrophobicContact SD-CG2 3.9Å; V1148-T1205 HydrophobicContact CB-CG2 4.19Å; V1148-T1205 HydrophobicContact CG1-CG2 3.79Å; V1148-T1205 HydrophobicContact CG2-CG2 4.05Å; L1180-T1205 HydrophobicContact CB-CG2 4.15Å; L1180-T1205 HydrophobicContact CD1-CG2 3.8Å; L1201-T1205 WeakPolarHBondContact O-CB 3.13Å; L1201-T1205 PolarHBondContact O-N 3.39Å; L1201-T1205 PolarHBondContact O-OG1 2.78Å; Q1202-T1205 WeakPolarHBondContact O-CB 3.2Å; Q1202-T1205 PolarHBondContact O-N 3.42Å; L1203-T1205 VanDerWaalsContact C-N 3.3Å; L1203-T1205 PolarHBondContact O-N 2.99Å; T1205-A1208 PolarHBondContact O-N 2.77Å; T1205-L1209 PolarHBondContact O-N 3.23Å; T1205-T1253 HydrophobicContact CG2-CG2 4.26Å |
| 1206 | R | 93.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.4 | -41.5 | 176.1 | -69.8 | -174.3 | 59.8 | -172.9 | -14.4 | 112.6 | I1134 P1135 F1136 M1145 Q1202 L1203 C1204 A1208 L1209 G1210 S1251 | I1134-R1206 VanDerWaalsContact O-CZ 3.24Å; I1134-R1206 PolarHBondContact O-NH1 2.81Å; I1134-R1206 PolarHBondContact O-NH2 3.47Å; P1135-R1206 PolarHBondContact O-NH1 3.32Å; F1136-R1206 PolarHBondContact O-NH1 3.07Å; F1136-R1206 VanDerWaalsContact O-NH1 3.09Å; M1145-R1206 HydrophobicContact CE-CG 3.42Å; M1145-R1206 VanDerWaalsContact CE-CG 3.42Å; Q1202-R1206 WeakPolarHBondContact O-CG 2.86Å; Q1202-R1206 PolarHBondContact O-N 3.48Å; L1203-R1206 WeakPolarHBondContact O-CB 3.48Å; L1203-R1206 PolarHBondContact O-N 3.41Å; L1203-R1206 VanDerWaalsContact O-N 3.14Å; C1204-R1206 VanDerWaalsContact C-N 3.35Å; C1204-R1206 PolarHBondContact O-N 3.41Å; R1206-A1208 VanDerWaalsContact C-N 3.33Å; R1206-L1209 PolarHBondContact O-N 2.76Å; R1206-G1210 PolarHBondContact O-N 3.5Å; R1206-S1251 WeakPolarHBondContact CA-O 3.32Å; R1206-S1251 WeakPolarHBondContact CB-O 2.95Å; R1206-S1251 VanDerWaalsContact CG-O 3.32Å; R1206-S1251 WeakPolarHBondContact CG-O 3.44Å; R1206-S1251 PolarHBondContact NE-O 2.89Å; R1206-S1251 PolarHBondContact NH2-OG 2.78Å; R1206-S1251 VanDerWaalsContact NH2-OG 3.16Å |
| 1207 | L | 93.6 | Very high | 91.8 | Very high | 39 Ų | 39 | 27 Ų | 27 | 20% | 0.204 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.4 | -35.8 | 176.8 | -68.7 | 177.9 | 0 | 0 | 0 | 112 | M1127 L1128 A1131 L1203 C1204 G1210 A1211 | M1127-L1207 HydrophobicContact CE-CD2 4.35Å; M1127-L1207 HydrophobicContact SD-CD2 4.05Å; L1128-L1207 HydrophobicContact CB-CD2 4.45Å; L1128-L1207 HydrophobicContact CD1-CD1 3.71Å; L1128-L1207 HydrophobicContact CD1-CD2 3.47Å; L1128-L1207 VanDerWaalsContact CD1-CD2 3.47Å; L1128-L1207 HydrophobicContact CD1-CG 4.25Å; A1131-L1207 HydrophobicContact CB-CD2 3.56Å; A1131-L1207 HydrophobicContact CB-CG 4.44Å; L1203-L1207 HydrophobicContact CD1-CD1 4.39Å; L1203-L1207 HydrophobicContact CD1-CG 4.27Å; L1203-L1207 HydrophobicContact CG-CD1 4.02Å; L1203-L1207 HydrophobicContact CG-CG 4.32Å; L1203-L1207 VanDerWaalsContact O-CG 3.28Å; L1203-L1207 WeakPolarHBondContact O-CG 3.32Å; L1203-L1207 PolarHBondContact O-N 3.38Å; C1204-L1207 PolarHBondContact O-N 2.91Å; L1207-G1210 PolarHBondContact O-N 3.14Å; L1207-A1211 WeakPolarHBondContact O-CB 3.46Å; L1207-A1211 PolarHBondContact O-N 3.01Å |
| 1208 | A | 94.1 | Very high | 92.6 | Very high | 13 Ų | 13 | 25.4 Ų | 25.4 | 11% | 0.107 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62 | -46.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1180 I1183 V1184 C1204 T1205 R1206 T1212 | L1180-A1208 HydrophobicContact CD2-CB 4.09Å; I1183-A1208 HydrophobicContact CB-CB 4.29Å; I1183-A1208 HydrophobicContact CG2-CB 3.69Å; V1184-A1208 HydrophobicContact CG2-CB 4.32Å; C1204-A1208 WeakPolarHBondContact O-CB 3.43Å; C1204-A1208 PolarHBondContact O-N 3.29Å; T1205-A1208 PolarHBondContact O-N 2.77Å; R1206-A1208 VanDerWaalsContact C-N 3.33Å; A1208-T1212 PolarHBondContact O-N 3.33Å; A1208-T1212 VanDerWaalsContact O-N 3.13Å; A1208-T1212 PolarHBondContact O-OG1 3.12Å |
| 1209 | L | 94.4 | Very high | 93 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.1 | -46.5 | 175.2 | -176.8 | 56.9 | 0 | 0 | 0 | 111.6 | L1180 T1205 R1206 A1211 T1212 V1213 R1252 T1253 I1257 F1258 | L1180-L1209 HydrophobicContact CD1-CB 4.1Å; L1180-L1209 HydrophobicContact CD2-CB 3.89Å; T1205-L1209 PolarHBondContact O-N 3.23Å; R1206-L1209 PolarHBondContact O-N 2.76Å; L1209-A1211 VanDerWaalsContact C-N 3.33Å; L1209-A1211 PolarHBondContact O-N 3.47Å; L1209-T1212 WeakPolarHBondContact O-CA 3.34Å; L1209-T1212 VanDerWaalsContact O-CB 3.29Å; L1209-T1212 WeakPolarHBondContact O-CB 3.28Å; L1209-T1212 PolarHBondContact O-N 3.49Å; L1209-V1213 PolarHBondContact O-N 2.78Å; L1209-R1252 WeakPolarHBondContact CD2-O 3.49Å; L1209-T1253 HydrophobicContact CD2-CG2 4.1Å; L1209-I1257 HydrophobicContact CD1-CG2 4.46Å; L1209-I1257 HydrophobicContact CD2-CB 4.37Å; L1209-I1257 HydrophobicContact CD2-CG2 3.96Å; L1209-I1257 HydrophobicContact CG-CG2 4.09Å; L1209-F1258 HydrophobicContact CD1-CD1 3.73Å; L1209-F1258 HydrophobicContact CD1-CE1 3.88Å; L1209-F1258 HydrophobicContact CD1-CG 4.17Å; L1209-F1258 HydrophobicContact CD1-CZ 4.42Å; L1209-F1258 HydrophobicContact CD2-CD2 4.41Å; L1209-F1258 HydrophobicContact CD2-CE1 4.46Å; L1209-F1258 HydrophobicContact CD2-CE2 4.15Å; L1209-F1258 HydrophobicContact CD2-CZ 4.19Å |
| 1210 | G | 94.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.8 | -45 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1206 L1207 T1212 V1213 C1214 A1250 | R1206-G1210 PolarHBondContact O-N 3.5Å; L1207-G1210 PolarHBondContact O-N 3.14Å; G1210-T1212 VanDerWaalsContact C-N 3.29Å; G1210-T1212 PolarHBondContact O-N 3.36Å; G1210-V1213 PolarHBondContact O-N 3.03Å; G1210-C1214 WeakPolarHBondContact O-CB 3.46Å; G1210-C1214 PolarHBondContact O-N 2.85Å; G1210-C1214 PolarHBondContact O-SG 3.41Å; G1210-A1250 VanDerWaalsContact CA-O 3.27Å; G1210-A1250 WeakPolarHBondContact CA-O 3.32Å; G1210-A1250 PolarHBondContact N-O 2.97Å |
| 1211 | A | 94.3 | Very high | 93.8 | Very high | 36 Ų | 36 | 16.1 Ų | 16.1 | 30% | 0.298 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -62.1 | -37.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | F1124 L1207 L1209 C1214 F1215 | F1124-A1211 HydrophobicContact CD1-CB 4.44Å; F1124-A1211 HydrophobicContact CE1-CB 4.14Å; L1207-A1211 WeakPolarHBondContact O-CB 3.46Å; L1207-A1211 PolarHBondContact O-N 3.01Å; L1209-A1211 VanDerWaalsContact C-N 3.33Å; L1209-A1211 PolarHBondContact O-N 3.47Å; A1211-C1214 PolarHBondContact O-N 3.49Å; A1211-F1215 VanDerWaalsContact O-CB 3.3Å; A1211-F1215 WeakPolarHBondContact O-CB 3.5Å; A1211-F1215 PolarHBondContact O-N 2.92Å |
| 1212 | T | 94.5 | Very high | 93.8 | Very high | 27 Ų | 27 | 21.9 Ų | 21.9 | 17% | 0.166 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 175.5 | -52.4 | 0 | 0 | 0 | 0 | 111 | Y1179 A1208 L1209 G1210 F1215 G1216 A1261 | Y1179-T1212 HydrophobicContact CE1-CG2 4.4Å; Y1179-T1212 WeakPolarHBondContact OH-CG2 3.3Å; Y1179-T1212 PolarHBondContact OH-OG1 3.4Å; A1208-T1212 PolarHBondContact O-N 3.33Å; A1208-T1212 VanDerWaalsContact O-N 3.13Å; A1208-T1212 PolarHBondContact O-OG1 3.12Å; L1209-T1212 WeakPolarHBondContact O-CA 3.34Å; L1209-T1212 VanDerWaalsContact O-CB 3.29Å; L1209-T1212 WeakPolarHBondContact O-CB 3.28Å; L1209-T1212 PolarHBondContact O-N 3.49Å; G1210-T1212 VanDerWaalsContact C-N 3.29Å; G1210-T1212 PolarHBondContact O-N 3.36Å; T1212-F1215 PolarHBondContact O-N 2.8Å; T1212-G1216 PolarHBondContact O-N 3.02Å; T1212-A1261 HydrophobicContact CG2-CB 3.94Å |
| 1213 | V | 95.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.012 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.6 | -46.2 | 176.2 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | L1209 G1210 F1215 G1216 H1217 A1250 I1257 L1260 A1261 L1264 | L1209-V1213 PolarHBondContact O-N 2.78Å; G1210-V1213 PolarHBondContact O-N 3.03Å; V1213-F1215 VanDerWaalsContact C-N 3.3Å; V1213-F1215 PolarHBondContact O-N 3.5Å; V1213-G1216 WeakPolarHBondContact O-CA 3.24Å; V1213-G1216 PolarHBondContact O-N 3.38Å; V1213-G1216 VanDerWaalsContact O-N 3.07Å; V1213-H1217 PolarHBondContact O-CD2 3.2Å; V1213-H1217 PolarHBondContact O-N 3.22Å; V1213-A1250 HydrophobicContact CB-CB 4.25Å; V1213-A1250 HydrophobicContact CG1-CB 3.94Å; V1213-I1257 HydrophobicContact CG2-CG2 3.74Å; V1213-L1260 HydrophobicContact CG1-CD2 4.15Å; V1213-A1261 HydrophobicContact CG2-CB 3.97Å; V1213-L1264 HydrophobicContact CG1-CD1 4.16Å |
| 1214 | C | 95 | Very high | 93.9 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.3 | -43 | 175.5 | -67.1 | 0 | 0 | 0 | 0 | 111.3 | T1123 F1124 G1210 A1211 G1216 H1217 V1218 | T1123-C1214 HydrophobicContact CG2-CB 4.15Å; F1124-C1214 HydrophobicContact CD1-CB 3.61Å; F1124-C1214 HydrophobicContact CD2-CB 4.31Å; F1124-C1214 HydrophobicContact CE1-CB 3.34Å; F1124-C1214 HydrophobicContact CE2-CB 4.07Å; F1124-C1214 HydrophobicContact CG-CB 4.1Å; F1124-C1214 HydrophobicContact CZ-CB 3.58Å; G1210-C1214 WeakPolarHBondContact O-CB 3.46Å; G1210-C1214 PolarHBondContact O-N 2.85Å; G1210-C1214 PolarHBondContact O-SG 3.41Å; A1211-C1214 PolarHBondContact O-N 3.49Å; C1214-G1216 VanDerWaalsContact C-N 3.31Å; C1214-G1216 PolarHBondContact O-N 3.27Å; C1214-H1217 PolarHBondContact O-N 3.43Å; C1214-V1218 WeakPolarHBondContact O-CG2 3.33Å; C1214-V1218 PolarHBondContact O-N 3.5Å |
| 1215 | F | 94.8 | Very high | 93.6 | Very high | 100 Ų | 100 | 21.2 Ų | 21.2 | 44% | 0.439 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -62.5 | -38.4 | 175.3 | -174.7 | -93.8 | 0 | 0 | 0 | 111.9 | F1124 A1211 T1212 V1213 V1218 R1219 F1265 | F1124-F1215 HydrophobicContact CZ-CB 4.44Å; A1211-F1215 VanDerWaalsContact O-CB 3.3Å; A1211-F1215 WeakPolarHBondContact O-CB 3.5Å; A1211-F1215 PolarHBondContact O-N 2.92Å; T1212-F1215 PolarHBondContact O-N 2.8Å; V1213-F1215 VanDerWaalsContact C-N 3.3Å; V1213-F1215 PolarHBondContact O-N 3.5Å; F1215-V1218 PolarHBondContact O-N 3.39Å; F1215-R1219 VanDerWaalsContact O-CB 3.31Å; F1215-R1219 WeakPolarHBondContact O-CB 3.41Å; F1215-R1219 PolarHBondContact O-N 3Å; F1215-F1265 HydrophobicContact CD1-CE1 4.13Å; F1215-F1265 HydrophobicContact CD1-CE2 4.15Å; F1215-F1265 AromaticContact CD1-CZ 3.37Å; F1215-F1265 HydrophobicContact CD1-CZ 3.37Å; F1215-F1265 AromaticContact CE1-CE1 3.79Å; F1215-F1265 HydrophobicContact CE1-CE1 3.79Å; F1215-F1265 AromaticContact CE1-CZ 3.43Å; F1215-F1265 HydrophobicContact CE1-CZ 3.43Å; F1215-F1265 VanDerWaalsContact CE1-CZ 3.43Å |
| 1216 | G | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.1 | -48.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1212 V1213 C1214 R1219 L1220 | T1212-G1216 PolarHBondContact O-N 3.02Å; V1213-G1216 WeakPolarHBondContact O-CA 3.24Å; V1213-G1216 PolarHBondContact O-N 3.38Å; V1213-G1216 VanDerWaalsContact O-N 3.07Å; C1214-G1216 VanDerWaalsContact C-N 3.31Å; C1214-G1216 PolarHBondContact O-N 3.27Å; G1216-R1219 PolarHBondContact O-N 3.14Å; G1216-L1220 WeakPolarHBondContact O-CB 3.39Å; G1216-L1220 PolarHBondContact O-N 2.87Å |
| 1217 | H | 96.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63 | -42.4 | 175.8 | -79.9 | -67.4 | 0 | 0 | 0 | 112.6 | V1213 C1214 R1219 L1220 S1221 Y1236 M1237 T1240 | V1213-H1217 PolarHBondContact O-CD2 3.2Å; V1213-H1217 PolarHBondContact O-N 3.22Å; C1214-H1217 PolarHBondContact O-N 3.43Å; H1217-R1219 VanDerWaalsContact C-N 3.34Å; H1217-R1219 PolarHBondContact O-N 3.44Å; H1217-L1220 PolarHBondContact O-N 2.99Å; H1217-S1221 WeakPolarHBondContact O-CB 3.26Å; H1217-S1221 PolarHBondContact O-N 3.46Å; H1217-Y1236 PolarHBondContact CE1-OH 3.16Å; H1217-Y1236 AromaticContact ND1-CE1 3.87Å; H1217-Y1236 AromaticContact ND1-CZ 3.61Å; H1217-Y1236 PolarHBondContact ND1-OH 3.47Å; H1217-M1237 HydrophobicContact CB-SD 4.48Å; H1217-T1240 VanDerWaalsContact CE1-CG2 3.47Å; H1217-T1240 WeakPolarHBondContact CE1-CG2 3.39Å |
| 1218 | V | 94.5 | Very high | 92.1 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 6% | 0.061 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 175.3 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | R1120 F1124 C1214 F1215 L1220 S1221 R1222 | R1120-V1218 HydrophobicContact CB-CG2 4.03Å; R1120-V1218 HydrophobicContact CG-CG1 4.21Å; R1120-V1218 HydrophobicContact CG-CG2 3.98Å; F1124-V1218 HydrophobicContact CE2-CG2 3.92Å; C1214-V1218 WeakPolarHBondContact O-CG2 3.33Å; C1214-V1218 PolarHBondContact O-N 3.5Å; F1215-V1218 PolarHBondContact O-N 3.39Å; V1218-L1220 VanDerWaalsContact C-N 3.34Å; V1218-L1220 PolarHBondContact O-N 3.49Å; V1218-S1221 PolarHBondContact O-N 3Å; V1218-S1221 PolarHBondContact O-OG 3.42Å; V1218-R1222 PolarHBondContact O-N 3.34Å; V1218-R1222 VanDerWaalsContact O-N 3.11Å |
| 1219 | R | 94.9 | Very high | 91.6 | Very high | 42 Ų | 42 | 30.9 Ų | 30.9 | 16% | 0.158 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.4 | -40.4 | 177.9 | 179.6 | 60 | -175.7 | 85.2 | 1.2 | 112 | F1215 G1216 H1217 R1222 S1223 F1265 A1268 D1272 | F1215-R1219 VanDerWaalsContact O-CB 3.31Å; F1215-R1219 WeakPolarHBondContact O-CB 3.41Å; F1215-R1219 PolarHBondContact O-N 3Å; G1216-R1219 PolarHBondContact O-N 3.14Å; H1217-R1219 VanDerWaalsContact C-N 3.34Å; H1217-R1219 PolarHBondContact O-N 3.44Å; R1219-R1222 WeakPolarHBondContact O-CB 3.34Å; R1219-R1222 PolarHBondContact O-N 3.05Å; R1219-S1223 PolarHBondContact NH1-OG 2.7Å; R1219-S1223 PolarHBondContact O-N 3.24Å; R1219-F1265 HydrophobicContact CB-CE1 4.26Å; R1219-F1265 HydrophobicContact CG-CD1 3.91Å; R1219-F1265 HydrophobicContact CG-CE1 3.91Å; R1219-A1268 HydrophobicContact CG-CB 4.06Å; R1219-D1272 IonicContact CZ-OD2 3.37Å; R1219-D1272 IonicContact NH1-OD2 2.82Å; R1219-D1272 PolarHBondContact NH1-OD2 3.03Å; R1219-D1272 VanDerWaalsContact NH1-OD2 3.14Å; R1219-D1272 IonicContact NH2-OD2 3.71Å; R1219-D1272 PolarHBondContact NH2-OD2 3.06Å |
| 1220 | L | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.5 | -39.6 | 175 | 179.9 | 52 | 0 | 0 | 0 | 111.8 | G1216 H1217 V1218 R1222 S1223 L1224 Y1236 L1264 V1267 A1268 L1271 M1429 | G1216-L1220 WeakPolarHBondContact O-CB 3.39Å; G1216-L1220 PolarHBondContact O-N 2.87Å; H1217-L1220 PolarHBondContact O-N 2.99Å; V1218-L1220 VanDerWaalsContact C-N 3.34Å; V1218-L1220 PolarHBondContact O-N 3.49Å; L1220-R1222 PolarHBondContact O-N 3.15Å; L1220-S1223 CarbonylContact O-C 3.49Å; L1220-S1223 WeakPolarHBondContact O-CB 3.42Å; L1220-S1223 PolarHBondContact O-N 3.41Å; L1220-S1223 VanDerWaalsContact O-N 3.08Å; L1220-L1224 HydrophobicContact CD1-CG 4.4Å; L1220-L1224 HydrophobicContact CG-CD1 4.36Å; L1220-L1224 WeakPolarHBondContact O-CG 3.48Å; L1220-L1224 PolarHBondContact O-N 2.9Å; L1220-Y1236 HydrophobicContact CD2-CE1 4.38Å; L1220-Y1236 HydrophobicContact CD2-CE2 4.43Å; L1220-Y1236 VanDerWaalsContact CD2-OH 3.23Å; L1220-Y1236 WeakPolarHBondContact CD2-OH 3.39Å; L1220-Y1236 HydrophobicContact CG-CE1 4.29Å; L1220-L1264 HydrophobicContact CD2-CD2 3.83Å; L1220-V1267 HydrophobicContact CD1-CB 4.2Å; L1220-V1267 HydrophobicContact CD1-CG1 3.71Å; L1220-V1267 HydrophobicContact CD2-CB 4.39Å; L1220-V1267 HydrophobicContact CD2-CG1 4.21Å; L1220-A1268 HydrophobicContact CB-CB 4.4Å; L1220-A1268 HydrophobicContact CD1-CB 4.27Å; L1220-L1271 HydrophobicContact CD1-CD1 3.7Å; L1220-M1429 HydrophobicContact CD1-SD 4.19Å; L1220-M1429 HydrophobicContact CD2-SD 4.09Å; L1220-M1429 HydrophobicContact CG-SD 4.48Å |
| 1221 | S | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.4 | -34 | 173.9 | 80.2 | 0 | 0 | 0 | 0 | 112.4 | R1120 H1217 V1218 L1224 K1225 A1233 | R1120-S1221 PolarHBondContact NE-OG 3.35Å; R1120-S1221 PolarHBondContact NH2-OG 3.21Å; H1217-S1221 WeakPolarHBondContact O-CB 3.26Å; H1217-S1221 PolarHBondContact O-N 3.46Å; V1218-S1221 PolarHBondContact O-N 3Å; V1218-S1221 PolarHBondContact O-OG 3.42Å; S1221-L1224 PolarHBondContact O-N 2.87Å; S1221-K1225 PolarHBondContact O-N 3.05Å; S1221-A1233 VanDerWaalsContact O-CB 3.29Å; S1221-A1233 WeakPolarHBondContact O-CB 3.34Å |
| 1222 | R | 90.3 | Very high | 90.3 | Very high | 122 Ų | 122 | 32.6 Ų | 32.6 | 46% | 0.46 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66 | -44.4 | 173.7 | -68.7 | 177.1 | -176 | 177.3 | 1.6 | 110.9 | V1218 R1219 L1220 K1225 L1226 | V1218-R1222 PolarHBondContact O-N 3.34Å; V1218-R1222 VanDerWaalsContact O-N 3.11Å; R1219-R1222 WeakPolarHBondContact O-CB 3.34Å; R1219-R1222 PolarHBondContact O-N 3.05Å; L1220-R1222 PolarHBondContact O-N 3.15Å; R1222-K1225 WeakPolarHBondContact O-CB 3.48Å; R1222-K1225 PolarHBondContact O-N 3.21Å; R1222-L1226 WeakPolarHBondContact O-CG 3.28Å; R1222-L1226 PolarHBondContact O-N 3.14Å; R1222-L1226 VanDerWaalsContact O-N 3.15Å |
| 1223 | S | 92.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.4 | -38.7 | 175 | -71.6 | 0 | 0 | 0 | 0 | 112.8 | R1219 L1220 L1226 A1227 A1268 D1272 | R1219-S1223 PolarHBondContact NH1-OG 2.7Å; R1219-S1223 PolarHBondContact O-N 3.24Å; L1220-S1223 CarbonylContact O-C 3.49Å; L1220-S1223 WeakPolarHBondContact O-CB 3.42Å; L1220-S1223 PolarHBondContact O-N 3.41Å; L1220-S1223 VanDerWaalsContact O-N 3.08Å; S1223-L1226 PolarHBondContact O-N 3.26Å; S1223-A1227 WeakPolarHBondContact O-CB 3.34Å; S1223-A1227 PolarHBondContact O-N 2.76Å; S1223-A1268 PolarHBondContact OG-O 2.88Å; S1223-A1268 VanDerWaalsContact OG-O 3.11Å; S1223-D1272 WeakPolarHBondContact CA-OD1 3.47Å; S1223-D1272 WeakPolarHBondContact CB-OD1 3.42Å; S1223-D1272 PolarHBondContact OG-OD1 3.41Å; S1223-D1272 PolarHBondContact OG-OD2 2.8Å; S1223-D1272 VanDerWaalsContact OG-OD2 3.06Å |
| 1224 | L | 90.6 | Very high | 90 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.4 | -42 | 174.8 | -76.9 | 170 | 0 | 0 | 0 | 112.2 | L1220 S1221 L1226 A1227 F1228 D1229 V1232 A1233 Y1236 L1271 M1429 | L1220-L1224 HydrophobicContact CD1-CG 4.4Å; L1220-L1224 HydrophobicContact CG-CD1 4.36Å; L1220-L1224 WeakPolarHBondContact O-CG 3.48Å; L1220-L1224 PolarHBondContact O-N 2.9Å; S1221-L1224 PolarHBondContact O-N 2.87Å; L1224-L1226 VanDerWaalsContact C-N 3.28Å; L1224-L1226 PolarHBondContact O-N 3.23Å; L1224-A1227 PolarHBondContact O-N 3.35Å; L1224-F1228 HydrophobicContact CD2-CD2 3.71Å; L1224-F1228 HydrophobicContact CD2-CE2 3.81Å; L1224-F1228 PolarHBondContact O-N 3.48Å; L1224-D1229 PolarHBondContact O-N 2.85Å; L1224-V1232 HydrophobicContact CD2-CG1 4.4Å; L1224-A1233 HydrophobicContact CB-CB 4.28Å; L1224-Y1236 HydrophobicContact CD1-CD1 3.6Å; L1224-Y1236 HydrophobicContact CD1-CD2 3.72Å; L1224-Y1236 HydrophobicContact CD1-CE1 4.18Å; L1224-Y1236 HydrophobicContact CD1-CE2 4.29Å; L1224-Y1236 HydrophobicContact CD1-CG 3.32Å; L1224-L1271 HydrophobicContact CD2-CD1 3.86Å; L1224-L1271 HydrophobicContact CG-CD1 4.13Å; L1224-M1429 HydrophobicContact CD1-CG 3.98Å; L1224-M1429 HydrophobicContact CD2-CE 3.84Å; L1224-M1429 HydrophobicContact CD2-CG 4.05Å; L1224-M1429 HydrophobicContact CD2-SD 4.35Å |
| 1225 | K | 86.3 | Confident | 90 | Very high | 48 Ų | 48 | 33.3 Ų | 33.3 | 21% | 0.209 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.3 | -47.2 | 173.1 | -179.2 | -169.1 | -178.9 | -152.9 | 0 | 110.5 | E1041 S1221 R1222 L1230 A1233 | E1041-K1225 IonicContact OE1-NZ 3.95Å; E1041-K1225 PolarHBondContact OE1-NZ 3.3Å; S1221-K1225 PolarHBondContact O-N 3.05Å; R1222-K1225 WeakPolarHBondContact O-CB 3.48Å; R1222-K1225 PolarHBondContact O-N 3.21Å; K1225-L1230 HydrophobicContact CD-CD1 4.02Å; K1225-L1230 HydrophobicContact CG-CB 4.26Å; K1225-L1230 HydrophobicContact CG-CD1 4.23Å; K1225-A1233 HydrophobicContact CB-CB 4.05Å |
| 1226 | L | 80.7 | Confident | 90 | Very high | 119 Ų | 119 | 28.5 Ų | 28.5 | 62% | 0.623 | 14% | 0.137 | S | C | * | . | H | α-helix | trans | -74.9 | -34.7 | -177.2 | -66.5 | 172.4 | 0 | 0 | 0 | 113.1 | R1222 S1223 L1224 | R1222-L1226 WeakPolarHBondContact O-CG 3.28Å; R1222-L1226 PolarHBondContact O-N 3.14Å; R1222-L1226 VanDerWaalsContact O-N 3.15Å; S1223-L1226 PolarHBondContact O-N 3.26Å; L1224-L1226 VanDerWaalsContact C-N 3.28Å; L1224-L1226 PolarHBondContact O-N 3.23Å |
| 1227 | A | 83.3 | Confident | 90 | Very high | 28 Ų | 28 | 28.5 Ų | 28.5 | 23% | 0.231 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -84 | -28.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1223 L1224 L1271 | S1223-A1227 WeakPolarHBondContact O-CB 3.34Å; S1223-A1227 PolarHBondContact O-N 2.76Å; L1224-A1227 PolarHBondContact O-N 3.35Å; A1227-L1271 HydrophobicContact CB-CB 4.25Å; A1227-L1271 HydrophobicContact CB-CD2 4.38Å |
| 1228 | F | 84.2 | Confident | 89.8 | Confident | 52 Ų | 52 | 29.5 Ų | 29.5 | 23% | 0.228 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | -80.5 | -178.3 | -57.1 | -71.6 | 0 | 0 | 0 | 111.2 | L1224 V1232 L1271 P1392 K1394 I1395 | L1224-F1228 HydrophobicContact CD2-CD2 3.71Å; L1224-F1228 HydrophobicContact CD2-CE2 3.81Å; L1224-F1228 PolarHBondContact O-N 3.48Å; F1228-V1232 HydrophobicContact CB-CB 4.18Å; F1228-V1232 HydrophobicContact CB-CG1 4.33Å; F1228-V1232 HydrophobicContact CB-CG2 3.93Å; F1228-V1232 HydrophobicContact CD2-CG1 4.43Å; F1228-L1271 HydrophobicContact CE2-CD2 4.1Å; F1228-L1271 HydrophobicContact CZ-CD2 4.43Å; F1228-P1392 HydrophobicContact CE1-CG 4.26Å; F1228-K1394 HydrophobicContact CE1-CB 4.08Å; F1228-K1394 HydrophobicContact CZ-CB 3.83Å; F1228-K1394 HydrophobicContact CZ-CD 4.48Å; F1228-I1395 HydrophobicContact CD1-CG1 4.33Å; F1228-I1395 HydrophobicContact CD2-CD1 4.31Å; F1228-I1395 HydrophobicContact CE1-CD1 4.03Å; F1228-I1395 HydrophobicContact CE1-CG1 3.59Å; F1228-I1395 HydrophobicContact CE2-CD1 3.6Å; F1228-I1395 HydrophobicContact CE2-CG1 4.14Å; F1228-I1395 HydrophobicContact CZ-CD1 3.43Å; F1228-I1395 VanDerWaalsContact CZ-CD1 3.43Å; F1228-I1395 HydrophobicContact CZ-CG1 3.48Å; F1228-I1395 VanDerWaalsContact CZ-CG1 3.48Å |
| 1229 | D | 81.8 | Confident | 89.8 | Confident | 56 Ų | 56 | 29 Ų | 29 | 30% | 0.299 | 14% | 0.143 | S | C | . | . | trans | -168.8 | 163.8 | 176.3 | -177.9 | 36.1 | 0 | 0 | 0 | 110.6 | L1224 N1231 V1232 A1233 | L1224-D1229 PolarHBondContact O-N 2.85Å; D1229-N1231 VanDerWaalsContact C-N 3.26Å; D1229-N1231 PolarHBondContact O-N 3.15Å; D1229-N1231 PolarHBondContact OD2-N 2.92Å; D1229-N1231 PolarHBondContact OD2-ND2 3.46Å; D1229-V1232 PolarHBondContact O-N 2.89Å; D1229-A1233 PolarHBondContact O-N 3.25Å | ||
| 1230 | L | 82.1 | Confident | 89.7 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -53.1 | -40.1 | 173.1 | -178.2 | 58.9 | 0 | 0 | 0 | 112.8 | A1112 K1113 L1116 K1225 V1232 A1233 C1234 | A1112-L1230 HydrophobicContact CB-CD2 3.36Å; A1112-L1230 HydrophobicContact CB-CG 3.82Å; K1113-L1230 HydrophobicContact CB-CD2 4.45Å; L1116-L1230 HydrophobicContact CB-CD1 4.12Å; L1116-L1230 HydrophobicContact CD2-CD1 3.51Å; L1116-L1230 HydrophobicContact CG-CD1 4.46Å; K1225-L1230 HydrophobicContact CD-CD1 4.02Å; K1225-L1230 HydrophobicContact CG-CB 4.26Å; K1225-L1230 HydrophobicContact CG-CD1 4.23Å; L1230-V1232 PolarHBondContact O-N 3.38Å; L1230-A1233 WeakPolarHBondContact O-CB 3.47Å; L1230-A1233 PolarHBondContact O-N 3.45Å; L1230-C1234 PolarHBondContact O-N 3.1Å; L1230-C1234 PolarHBondContact O-SG 3.36Å |
| 1231 | N | 85.4 | Confident | 89.6 | Confident | 63 Ų | 63 | 27.1 Ų | 27.1 | 34% | 0.337 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -64.7 | -40.1 | 179.6 | -68.6 | -52.6 | 0 | 0 | 0 | 112.7 | D1229 A1233 C1234 W1235 A1436 | D1229-N1231 VanDerWaalsContact C-N 3.26Å; D1229-N1231 PolarHBondContact O-N 3.15Å; D1229-N1231 PolarHBondContact OD2-N 2.92Å; D1229-N1231 PolarHBondContact OD2-ND2 3.46Å; N1231-A1233 VanDerWaalsContact C-N 3.28Å; N1231-A1233 PolarHBondContact O-N 3.36Å; N1231-C1234 PolarHBondContact O-N 3.06Å; N1231-W1235 PolarHBondContact O-N 2.87Å; N1231-A1436 HydrophobicContact CB-CB 4.31Å |
| 1232 | V | 89.8 | Confident | 89.4 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 4% | 0.036 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.7 | -39.8 | 176.3 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | L1224 F1228 D1229 L1230 W1235 Y1236 W1433 A1436 | L1224-V1232 HydrophobicContact CD2-CG1 4.4Å; F1228-V1232 HydrophobicContact CB-CB 4.18Å; F1228-V1232 HydrophobicContact CB-CG1 4.33Å; F1228-V1232 HydrophobicContact CB-CG2 3.93Å; F1228-V1232 HydrophobicContact CD2-CG1 4.43Å; D1229-V1232 PolarHBondContact O-N 2.89Å; L1230-V1232 PolarHBondContact O-N 3.38Å; V1232-W1235 PolarHBondContact O-N 2.94Å; V1232-Y1236 VanDerWaalsContact O-CB 3.31Å; V1232-Y1236 WeakPolarHBondContact O-CB 3.36Å; V1232-Y1236 PolarHBondContact O-N 2.82Å; V1232-W1433 HydrophobicContact CG1-CB 4.47Å; V1232-A1436 HydrophobicContact CB-CB 4.49Å; V1232-A1436 HydrophobicContact CG2-CB 3.7Å |
| 1233 | A | 91.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1116 S1221 L1224 K1225 D1229 L1230 N1231 Y1236 M1237 | L1116-A1233 HydrophobicContact CD1-CB 4.16Å; L1116-A1233 HydrophobicContact CD2-CB 3.95Å; S1221-A1233 VanDerWaalsContact O-CB 3.29Å; S1221-A1233 WeakPolarHBondContact O-CB 3.34Å; L1224-A1233 HydrophobicContact CB-CB 4.28Å; K1225-A1233 HydrophobicContact CB-CB 4.05Å; D1229-A1233 PolarHBondContact O-N 3.25Å; L1230-A1233 WeakPolarHBondContact O-CB 3.47Å; L1230-A1233 PolarHBondContact O-N 3.45Å; N1231-A1233 VanDerWaalsContact C-N 3.28Å; N1231-A1233 PolarHBondContact O-N 3.36Å; A1233-Y1236 PolarHBondContact O-N 3.16Å; A1233-M1237 WeakPolarHBondContact O-CG 3.2Å; A1233-M1237 PolarHBondContact O-N 2.93Å; A1233-M1237 VanDerWaalsContact O-N 3.14Å |
| 1234 | C | 91.9 | Very high | 89.4 | Confident | 9 Ų | 9 | 22.3 Ų | 22.3 | 6% | 0.061 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.8 | -50.5 | 174.4 | -69.2 | 0 | 0 | 0 | 0 | 111.3 | L1119 L1230 N1231 Y1236 M1237 A1238 | L1119-C1234 HydrophobicContact CD1-CB 4.16Å; L1119-C1234 WeakPolarHBondContact CD1-O 3.46Å; L1230-C1234 PolarHBondContact O-N 3.1Å; L1230-C1234 PolarHBondContact O-SG 3.36Å; N1231-C1234 PolarHBondContact O-N 3.06Å; C1234-Y1236 VanDerWaalsContact C-N 3.33Å; C1234-Y1236 PolarHBondContact O-N 3.3Å; C1234-M1237 PolarHBondContact O-N 3.41Å; C1234-A1238 WeakPolarHBondContact O-CB 3.28Å; C1234-A1238 PolarHBondContact O-N 3.27Å |
| 1235 | W | 93.6 | Very high | 89.3 | Confident | 36 Ų | 36 | 23.8 Ų | 23.8 | 14% | 0.136 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 178.8 | -80.3 | 111.8 | 0 | 0 | 0 | 112.7 | N1231 V1232 M1237 A1238 I1239 M1439 S1455 L1456 P1459 | N1231-W1235 PolarHBondContact O-N 2.87Å; V1232-W1235 PolarHBondContact O-N 2.94Å; W1235-M1237 VanDerWaalsContact C-N 3.34Å; W1235-M1237 PolarHBondContact O-N 3.2Å; W1235-A1238 PolarHBondContact O-N 2.95Å; W1235-I1239 VanDerWaalsContact O-CB 3.32Å; W1235-I1239 WeakPolarHBondContact O-CB 3.43Å; W1235-I1239 WeakPolarHBondContact O-CD1 3.44Å; W1235-I1239 WeakPolarHBondContact O-CG1 3.36Å; W1235-I1239 PolarHBondContact O-N 3.35Å; W1235-M1439 HydrophobicContact CZ2-CG 3.76Å; W1235-M1439 HydrophobicContact CZ2-SD 4.2Å; W1235-S1455 WeakPolarHBondContact CH2-O 3.33Å; W1235-S1455 WeakPolarHBondContact CZ3-O 3.46Å; W1235-L1456 HydrophobicContact CH2-CD2 4.11Å; W1235-L1456 HydrophobicContact CZ2-CD2 4.37Å; W1235-P1459 HydrophobicContact CE3-CG 4.45Å; W1235-P1459 HydrophobicContact CZ3-CG 3.84Å |
| 1236 | Y | 95.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.3 | -46.7 | 176.1 | 172.5 | -100.7 | 0 | 0 | 0 | 112 | H1217 L1220 L1224 V1232 A1233 C1234 T1240 N1428 M1429 | H1217-Y1236 PolarHBondContact CE1-OH 3.16Å; H1217-Y1236 AromaticContact ND1-CE1 3.87Å; H1217-Y1236 AromaticContact ND1-CZ 3.61Å; H1217-Y1236 PolarHBondContact ND1-OH 3.47Å; L1220-Y1236 HydrophobicContact CD2-CE1 4.38Å; L1220-Y1236 HydrophobicContact CD2-CE2 4.43Å; L1220-Y1236 VanDerWaalsContact CD2-OH 3.23Å; L1220-Y1236 WeakPolarHBondContact CD2-OH 3.39Å; L1220-Y1236 HydrophobicContact CG-CE1 4.29Å; L1224-Y1236 HydrophobicContact CD1-CD1 3.6Å; L1224-Y1236 HydrophobicContact CD1-CD2 3.72Å; L1224-Y1236 HydrophobicContact CD1-CE1 4.18Å; L1224-Y1236 HydrophobicContact CD1-CE2 4.29Å; L1224-Y1236 HydrophobicContact CD1-CG 3.32Å; V1232-Y1236 VanDerWaalsContact O-CB 3.31Å; V1232-Y1236 WeakPolarHBondContact O-CB 3.36Å; V1232-Y1236 PolarHBondContact O-N 2.82Å; A1233-Y1236 PolarHBondContact O-N 3.16Å; C1234-Y1236 VanDerWaalsContact C-N 3.33Å; C1234-Y1236 PolarHBondContact O-N 3.3Å; Y1236-T1240 VanDerWaalsContact O-CB 3.27Å; Y1236-T1240 WeakPolarHBondContact O-CB 3.34Å; Y1236-T1240 PolarHBondContact O-N 2.95Å; Y1236-T1240 PolarHBondContact O-OG1 3.16Å; Y1236-N1428 HydrophobicContact CD2-CB 4.1Å; Y1236-N1428 HydrophobicContact CE2-CB 4.01Å; Y1236-M1429 HydrophobicContact CD2-CG 3.74Å; Y1236-M1429 HydrophobicContact CE2-CG 3.71Å |
| 1237 | M | 94.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.1 | -47.6 | 177.8 | -66.7 | -55.4 | -57.6 | 0 | 0 | 111 | L1116 L1119 T1123 H1217 A1233 C1234 W1235 I1239 T1240 L1241 | L1116-M1237 HydrophobicContact CD1-CG 3.98Å; L1119-M1237 HydrophobicContact CB-CB 3.93Å; L1119-M1237 HydrophobicContact CD1-CB 4.31Å; T1123-M1237 HydrophobicContact CG2-CE 4.05Å; T1123-M1237 WeakPolarHBondContact OG1-CE 3.39Å; H1217-M1237 HydrophobicContact CB-SD 4.48Å; A1233-M1237 WeakPolarHBondContact O-CG 3.2Å; A1233-M1237 PolarHBondContact O-N 2.93Å; A1233-M1237 VanDerWaalsContact O-N 3.14Å; C1234-M1237 PolarHBondContact O-N 3.41Å; W1235-M1237 VanDerWaalsContact C-N 3.34Å; W1235-M1237 PolarHBondContact O-N 3.2Å; M1237-I1239 VanDerWaalsContact C-N 3.34Å; M1237-I1239 PolarHBondContact O-N 2.93Å; M1237-T1240 PolarHBondContact O-N 3.38Å; M1237-L1241 VanDerWaalsContact O-CB 3.32Å; M1237-L1241 WeakPolarHBondContact O-CB 3.37Å; M1237-L1241 WeakPolarHBondContact O-CD1 3.05Å; M1237-L1241 WeakPolarHBondContact O-CG 3.35Å; M1237-L1241 PolarHBondContact O-N 3.45Å |
| 1238 | A | 93 | Very high | 90.1 | Very high | 23 Ų | 23 | 15.8 Ų | 15.8 | 19% | 0.19 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.5 | -43.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1119 C1234 W1235 L1241 S1242 | L1119-A1238 HydrophobicContact CD1-CB 4.48Å; L1119-A1238 HydrophobicContact CD2-CB 4.4Å; C1234-A1238 WeakPolarHBondContact O-CB 3.28Å; C1234-A1238 PolarHBondContact O-N 3.27Å; W1235-A1238 PolarHBondContact O-N 2.95Å; A1238-L1241 PolarHBondContact O-N 2.9Å; A1238-S1242 PolarHBondContact O-N 2.99Å; A1238-S1242 PolarHBondContact O-OG 3.46Å |
| 1239 | I | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.9 | -50.2 | 176.2 | -70.6 | 168.6 | 0 | 0 | 0 | 110.4 | W1235 M1237 L1241 S1242 T1381 N1428 A1431 | W1235-I1239 VanDerWaalsContact O-CB 3.32Å; W1235-I1239 WeakPolarHBondContact O-CB 3.43Å; W1235-I1239 WeakPolarHBondContact O-CD1 3.44Å; W1235-I1239 WeakPolarHBondContact O-CG1 3.36Å; W1235-I1239 PolarHBondContact O-N 3.35Å; M1237-I1239 VanDerWaalsContact C-N 3.34Å; M1237-I1239 PolarHBondContact O-N 2.93Å; I1239-L1241 VanDerWaalsContact C-N 3.26Å; I1239-L1241 PolarHBondContact O-N 2.85Å; I1239-S1242 PolarHBondContact O-N 2.85Å; I1239-S1242 VanDerWaalsContact O-N 3.12Å; I1239-S1242 PolarHBondContact O-OG 3.46Å; I1239-T1381 HydrophobicContact CD1-CG2 4.44Å; I1239-T1381 HydrophobicContact CG2-CG2 3.6Å; I1239-N1428 HydrophobicContact CG2-CB 4.07Å; I1239-A1431 HydrophobicContact CD1-CB 4.06Å |
| 1240 | T | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.8 | -38.2 | -178.8 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | H1217 Y1236 M1237 S1242 Q1243 T1246 M1247 N1428 | H1217-T1240 VanDerWaalsContact CE1-CG2 3.47Å; H1217-T1240 WeakPolarHBondContact CE1-CG2 3.39Å; Y1236-T1240 VanDerWaalsContact O-CB 3.27Å; Y1236-T1240 WeakPolarHBondContact O-CB 3.34Å; Y1236-T1240 PolarHBondContact O-N 2.95Å; Y1236-T1240 PolarHBondContact O-OG1 3.16Å; M1237-T1240 PolarHBondContact O-N 3.38Å; T1240-S1242 VanDerWaalsContact C-N 3.33Å; T1240-S1242 PolarHBondContact O-N 2.95Å; T1240-Q1243 PolarHBondContact O-N 2.75Å; T1240-T1246 HydrophobicContact CG2-CG2 3.83Å; T1240-M1247 HydrophobicContact CG2-CE 3.81Å; T1240-M1247 WeakPolarHBondContact O-CE 3.33Å; T1240-N1428 PolarHBondContact OG1-ND2 3.36Å |
| 1241 | L | 91.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 12.8 Ų | 12.8 | 2% | 0.016 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -68 | -29.8 | 178 | -74.3 | 166.5 | 0 | 0 | 0 | 114.3 | L1119 L1122 T1123 I1126 M1237 A1238 I1239 Q1243 M1247 M1463 | L1119-L1241 HydrophobicContact CB-CD1 4.33Å; L1119-L1241 HydrophobicContact CD2-CD1 3.95Å; L1119-L1241 WeakPolarHBondContact O-CD1 2.96Å; L1122-L1241 HydrophobicContact CB-CD1 4.41Å; L1122-L1241 HydrophobicContact CD2-CD1 4.34Å; T1123-L1241 HydrophobicContact CG2-CD2 4.02Å; T1123-L1241 VanDerWaalsContact OG1-CD2 3.3Å; T1123-L1241 WeakPolarHBondContact OG1-CD2 3.27Å; I1126-L1241 HydrophobicContact CB-CD2 4.45Å; I1126-L1241 HydrophobicContact CD1-CB 4.32Å; I1126-L1241 HydrophobicContact CD1-CD2 3.84Å; M1237-L1241 VanDerWaalsContact O-CB 3.32Å; M1237-L1241 WeakPolarHBondContact O-CB 3.37Å; M1237-L1241 WeakPolarHBondContact O-CD1 3.05Å; M1237-L1241 WeakPolarHBondContact O-CG 3.35Å; M1237-L1241 PolarHBondContact O-N 3.45Å; A1238-L1241 PolarHBondContact O-N 2.9Å; I1239-L1241 VanDerWaalsContact C-N 3.26Å; I1239-L1241 PolarHBondContact O-N 2.85Å; L1241-Q1243 VanDerWaalsContact C-N 3.3Å; L1241-M1247 HydrophobicContact CD2-CE 4.08Å; L1241-M1247 HydrophobicContact CD2-SD 4.47Å; L1241-M1463 WeakPolarHBondContact O-CE 3.47Å |
| 1242 | S | 91.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 9.8 Ų | 9.8 | 1% | 0.014 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -82.1 | -6.4 | -179.6 | 63.4 | 0 | 0 | 0 | 0 | 113.6 | A1238 I1239 T1240 P1459 N1462 | A1238-S1242 PolarHBondContact O-N 2.99Å; A1238-S1242 PolarHBondContact O-OG 3.46Å; I1239-S1242 PolarHBondContact O-N 2.85Å; I1239-S1242 VanDerWaalsContact O-N 3.12Å; I1239-S1242 PolarHBondContact O-OG 3.46Å; T1240-S1242 VanDerWaalsContact C-N 3.33Å; T1240-S1242 PolarHBondContact O-N 2.95Å; S1242-P1459 VanDerWaalsContact CB-O 3.23Å; S1242-P1459 WeakPolarHBondContact CB-O 3.36Å; S1242-N1462 CarbonylContact O-C 3.48Å; S1242-N1462 VanDerWaalsContact O-C 3.25Å; S1242-N1462 WeakPolarHBondContact O-CB 3.25Å; S1242-N1462 VanDerWaalsContact O-O 3.11Å |
| 1243 | Q | 91.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 9.5 Ų | 9.5 | 1% | 0.009 | 5% | 0.047 | C | C | . | . | trans | -94.5 | 114.2 | -176.7 | -72.2 | 172.7 | -9.4 | 0 | 0 | 112.2 | T1240 L1241 H1245 T1246 M1247 L1378 N1428 | T1240-Q1243 PolarHBondContact O-N 2.75Å; L1241-Q1243 VanDerWaalsContact C-N 3.3Å; Q1243-H1245 PolarHBondContact O-N 2.81Å; Q1243-T1246 PolarHBondContact O-N 3.28Å; Q1243-T1246 PolarHBondContact OE1-OG1 2.92Å; Q1243-T1246 VanDerWaalsContact OE1-OG1 3.05Å; Q1243-M1247 PolarHBondContact O-N 3.36Å; Q1243-L1378 VanDerWaalsContact NE2-CD2 3.25Å; Q1243-N1428 PolarHBondContact NE2-OD1 3.31Å; Q1243-N1428 PolarHBondContact OE1-ND2 3.36Å; Q1243-N1428 PolarHBondContact OE1-OD1 3Å | ||
| 1244 | F | 90.6 | Very high | 91.3 | Very high | 17 Ų | 17 | 9.7 Ų | 9.7 | 8% | 0.075 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -50.4 | -58.3 | 177.2 | 173 | -105.1 | 0 | 0 | 0 | 112.8 | Y1130 T1246 M1247 F1248 A1466 F1469 M1470 A1473 | Y1130-F1244 HydrophobicContact CD1-CE2 4.44Å; Y1130-F1244 AromaticContact CE1-CD2 3.53Å; Y1130-F1244 HydrophobicContact CE1-CD2 3.53Å; Y1130-F1244 AromaticContact CE1-CE2 3.62Å; Y1130-F1244 HydrophobicContact CE1-CE2 3.62Å; F1244-T1246 VanDerWaalsContact C-N 3.29Å; F1244-T1246 PolarHBondContact O-N 3.41Å; F1244-M1247 PolarHBondContact O-N 3.49Å; F1244-F1248 HydrophobicContact CE1-CB 4.2Å; F1244-F1248 HydrophobicContact CE1-CG 4.2Å; F1244-F1248 HydrophobicContact CE2-CB 4.12Å; F1244-F1248 HydrophobicContact CE2-CD2 4.27Å; F1244-F1248 HydrophobicContact CE2-CG 4.38Å; F1244-F1248 HydrophobicContact CZ-CB 3.92Å; F1244-F1248 HydrophobicContact CZ-CD1 4.48Å; F1244-F1248 AromaticContact CZ-CD2 3.8Å; F1244-F1248 HydrophobicContact CZ-CD2 3.8Å; F1244-F1248 HydrophobicContact CZ-CE2 4.44Å; F1244-F1248 AromaticContact CZ-CG 3.82Å; F1244-F1248 HydrophobicContact CZ-CG 3.82Å; F1244-F1248 WeakPolarHBondContact O-CB 3.36Å; F1244-F1248 PolarHBondContact O-N 2.97Å; F1244-A1466 HydrophobicContact CB-CB 3.77Å; F1244-F1469 HydrophobicContact CB-CB 4.19Å; F1244-F1469 HydrophobicContact CB-CD2 3.9Å; F1244-F1469 HydrophobicContact CD1-CB 3.62Å; F1244-F1469 HydrophobicContact CD1-CD2 4.07Å; F1244-F1469 HydrophobicContact CD1-CG 4.2Å; F1244-F1469 HydrophobicContact CD2-CB 3.59Å; F1244-F1469 HydrophobicContact CE1-CB 3.89Å; F1244-F1469 HydrophobicContact CE2-CB 3.9Å; F1244-F1469 HydrophobicContact CG-CB 3.49Å; F1244-F1469 VanDerWaalsContact CG-CB 3.49Å; F1244-F1469 HydrophobicContact CG-CD2 4.02Å; F1244-F1469 HydrophobicContact CG-CG 4.24Å; F1244-F1469 HydrophobicContact CZ-CB 4.05Å; F1244-M1470 HydrophobicContact CD2-CB 4.33Å; F1244-M1470 HydrophobicContact CE2-CB 4.06Å; F1244-A1473 HydrophobicContact CE2-CB 4.23Å; F1244-A1473 HydrophobicContact CZ-CB 3.71Å |
| 1245 | H | 89.3 | Confident | 91.1 | Very high | 30 Ų | 30 | 9.8 Ų | 9.8 | 14% | 0.139 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.5 | -39.1 | -172.3 | -66.7 | 94.8 | 0 | 0 | 0 | 111.2 | Q1243 F1248 Y1249 R1376 L1417 F1421 | Q1243-H1245 PolarHBondContact O-N 2.81Å; H1245-F1248 PolarHBondContact O-N 3.36Å; H1245-Y1249 HydrophobicContact CB-CD2 4.22Å; H1245-Y1249 HydrophobicContact CB-CE2 4.35Å; H1245-Y1249 WeakPolarHBondContact O-CB 3.46Å; H1245-Y1249 WeakPolarHBondContact O-CD2 3.38Å; H1245-Y1249 PolarHBondContact O-N 2.99Å; H1245-R1376 PolarHBondContact CE1-O 3.29Å; H1245-R1376 VanDerWaalsContact CE1-O 3.29Å; H1245-R1376 PolarHBondContact ND1-O 2.88Å; H1245-L1417 HydrophobicContact CB-CD2 4.31Å; H1245-F1421 HydrophobicContact CB-CE2 4.22Å; H1245-F1421 WeakPolarHBondContact O-CZ 3.43Å |
| 1246 | T | 89.1 | Confident | 91 | Very high | 3 Ų | 3 | 8.1 Ų | 8.1 | 2% | 0.018 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -58.3 | -49.8 | 176.9 | -54.6 | 0 | 0 | 0 | 0 | 112 | T1240 Q1243 F1244 A1250 | T1240-T1246 HydrophobicContact CG2-CG2 3.83Å; Q1243-T1246 PolarHBondContact O-N 3.28Å; Q1243-T1246 PolarHBondContact OE1-OG1 2.92Å; Q1243-T1246 VanDerWaalsContact OE1-OG1 3.05Å; F1244-T1246 VanDerWaalsContact C-N 3.29Å; F1244-T1246 PolarHBondContact O-N 3.41Å; T1246-A1250 WeakPolarHBondContact O-CB 3.15Å; T1246-A1250 PolarHBondContact O-N 2.84Å |
| 1247 | M | 89.4 | Confident | 90.9 | Very high | 2 Ų | 2 | 8.3 Ų | 8.3 | 1% | 0.01 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -75 | -37.7 | 179.9 | -66.7 | -61.3 | 140.4 | 0 | 0 | 112.8 | T1123 I1126 M1127 Y1130 T1240 L1241 Q1243 F1244 A1250 | T1123-M1247 HydrophobicContact CG2-CE 4.15Å; I1126-M1247 HydrophobicContact CG2-CB 4.29Å; I1126-M1247 HydrophobicContact CG2-CG 3.92Å; I1126-M1247 HydrophobicContact CG2-SD 4.36Å; M1127-M1247 HydrophobicContact CB-SD 4.47Å; Y1130-M1247 HydrophobicContact CD1-CB 4.44Å; Y1130-M1247 HydrophobicContact CD2-CB 4.29Å; Y1130-M1247 HydrophobicContact CE1-CB 4.36Å; Y1130-M1247 HydrophobicContact CE2-CB 4.23Å; Y1130-M1247 HydrophobicContact CG-CB 4.38Å; T1240-M1247 HydrophobicContact CG2-CE 3.81Å; T1240-M1247 WeakPolarHBondContact O-CE 3.33Å; L1241-M1247 HydrophobicContact CD2-CE 4.08Å; L1241-M1247 HydrophobicContact CD2-SD 4.47Å; Q1243-M1247 PolarHBondContact O-N 3.36Å; F1244-M1247 PolarHBondContact O-N 3.49Å; M1247-A1250 PolarHBondContact O-N 3.44Å |
| 1248 | F | 88.6 | Confident | 90.8 | Very high | 22 Ų | 22 | 8.7 Ų | 8.7 | 10% | 0.096 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.8 | -48.1 | 177.8 | 172.7 | -99.9 | 0 | 0 | 0 | 112.2 | Y1130 I1134 F1244 H1245 R1252 A1473 Y1477 | Y1130-F1248 HydrophobicContact CD1-CB 4.04Å; Y1130-F1248 HydrophobicContact CE1-CB 4.16Å; I1134-F1248 HydrophobicContact CD1-CD2 3.81Å; I1134-F1248 HydrophobicContact CD1-CE2 3.86Å; I1134-F1248 HydrophobicContact CG2-CE2 4.42Å; F1244-F1248 HydrophobicContact CE1-CB 4.2Å; F1244-F1248 HydrophobicContact CE1-CG 4.2Å; F1244-F1248 HydrophobicContact CE2-CB 4.12Å; F1244-F1248 HydrophobicContact CE2-CD2 4.27Å; F1244-F1248 HydrophobicContact CE2-CG 4.38Å; F1244-F1248 HydrophobicContact CZ-CB 3.92Å; F1244-F1248 HydrophobicContact CZ-CD1 4.48Å; F1244-F1248 AromaticContact CZ-CD2 3.8Å; F1244-F1248 HydrophobicContact CZ-CD2 3.8Å; F1244-F1248 HydrophobicContact CZ-CE2 4.44Å; F1244-F1248 AromaticContact CZ-CG 3.82Å; F1244-F1248 HydrophobicContact CZ-CG 3.82Å; F1244-F1248 WeakPolarHBondContact O-CB 3.36Å; F1244-F1248 PolarHBondContact O-N 2.97Å; H1245-F1248 PolarHBondContact O-N 3.36Å; F1248-R1252 VanDerWaalsContact O-CG 3.27Å; F1248-R1252 WeakPolarHBondContact O-CG 3.49Å; F1248-A1473 HydrophobicContact CD2-CB 4.48Å; F1248-A1473 HydrophobicContact CE2-CB 4.1Å; F1248-Y1477 WeakPolarHBondContact CZ-OH 3.31Å |
| 1249 | Y | 88.6 | Confident | 90.9 | Very high | 46 Ų | 46 | 7.6 Ų | 7.6 | 18% | 0.18 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -77.1 | -21.7 | -179.1 | -76.6 | -66.9 | 0 | 0 | 0 | 113.5 | H1245 S1251 R1252 L1254 I1257 L1417 F1421 | H1245-Y1249 HydrophobicContact CB-CD2 4.22Å; H1245-Y1249 HydrophobicContact CB-CE2 4.35Å; H1245-Y1249 WeakPolarHBondContact O-CB 3.46Å; H1245-Y1249 WeakPolarHBondContact O-CD2 3.38Å; H1245-Y1249 PolarHBondContact O-N 2.99Å; Y1249-S1251 PolarHBondContact O-N 2.84Å; Y1249-S1251 VanDerWaalsContact O-N 3.09Å; Y1249-R1252 HydrophobicContact CD1-CG 4.39Å; Y1249-R1252 WeakPolarHBondContact O-CB 3.42Å; Y1249-R1252 PolarHBondContact O-N 2.81Å; Y1249-L1254 HydrophobicContact CD1-CD1 3.71Å; Y1249-L1254 HydrophobicContact CE1-CD1 3.97Å; Y1249-I1257 WeakPolarHBondContact O-CG1 3.11Å; Y1249-I1257 WeakPolarHBondContact O-CG2 3.32Å; Y1249-L1417 HydrophobicContact CE2-CD2 4.45Å; Y1249-F1421 AromaticContact CD2-CE2 3.67Å; Y1249-F1421 HydrophobicContact CD2-CE2 3.67Å; Y1249-F1421 AromaticContact CD2-CZ 3.78Å; Y1249-F1421 HydrophobicContact CD2-CZ 3.78Å; Y1249-F1421 HydrophobicContact CE2-CE2 4.36Å; Y1249-F1421 HydrophobicContact CG-CE2 4.43Å; Y1249-F1421 HydrophobicContact CG-CZ 4.19Å |
| 1250 | A | 90.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 7.7 Ų | 7.7 | 3% | 0.025 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -55.1 | -33.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | M1127 G1210 V1213 T1246 M1247 I1257 | M1127-A1250 HydrophobicContact CG-CB 4.21Å; G1210-A1250 VanDerWaalsContact CA-O 3.27Å; G1210-A1250 WeakPolarHBondContact CA-O 3.32Å; G1210-A1250 PolarHBondContact N-O 2.97Å; V1213-A1250 HydrophobicContact CB-CB 4.25Å; V1213-A1250 HydrophobicContact CG1-CB 3.94Å; T1246-A1250 WeakPolarHBondContact O-CB 3.15Å; T1246-A1250 PolarHBondContact O-N 2.84Å; M1247-A1250 PolarHBondContact O-N 3.44Å; A1250-I1257 WeakPolarHBondContact O-CG2 3.23Å |
| 1251 | S | 90.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 7.9 Ų | 7.9 | 1% | 0.007 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 4.2 | -178.6 | 67.8 | 0 | 0 | 0 | 0 | 114.4 | R1206 Y1249 | R1206-S1251 WeakPolarHBondContact CA-O 3.32Å; R1206-S1251 WeakPolarHBondContact CB-O 2.95Å; R1206-S1251 VanDerWaalsContact CG-O 3.32Å; R1206-S1251 WeakPolarHBondContact CG-O 3.44Å; R1206-S1251 PolarHBondContact NE-O 2.89Å; R1206-S1251 PolarHBondContact NH2-OG 2.78Å; R1206-S1251 VanDerWaalsContact NH2-OG 3.16Å; Y1249-S1251 PolarHBondContact O-N 2.84Å; Y1249-S1251 VanDerWaalsContact O-N 3.09Å |
| 1252 | R | 89.9 | Confident | 91.1 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 0% | 0.004 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -92.5 | 128.6 | -173.4 | -61.6 | -77.5 | 178.6 | 173.2 | -9.7 | 109.4 | I1134 F1136 E1141 L1209 F1248 Y1249 L1254 I1257 Y1477 | I1134-R1252 PolarHBondContact O-NH2 2.83Å; F1136-R1252 PolarHBondContact O-NH1 2.85Å; F1136-R1252 PolarHBondContact O-NH2 2.92Å; E1141-R1252 HydrophobicContact CG-CB 4.34Å; E1141-R1252 VanDerWaalsContact OE1-CD 3.23Å; E1141-R1252 WeakPolarHBondContact OE1-CD 3.38Å; E1141-R1252 IonicContact OE1-CZ 2.63Å; E1141-R1252 IonicContact OE1-NE 2.68Å; E1141-R1252 IonicContact OE1-NH1 3.75Å; E1141-R1252 PolarHBondContact OE1-NH1 3.2Å; E1141-R1252 WeakPolarHBondContact OE2-CD 3.48Å; E1141-R1252 IonicContact OE2-NH1 3.52Å; E1141-R1252 PolarHBondContact OE2-NH1 2.81Å; L1209-R1252 WeakPolarHBondContact CD2-O 3.49Å; F1248-R1252 VanDerWaalsContact O-CG 3.27Å; F1248-R1252 WeakPolarHBondContact O-CG 3.49Å; Y1249-R1252 HydrophobicContact CD1-CG 4.39Å; Y1249-R1252 WeakPolarHBondContact O-CB 3.42Å; Y1249-R1252 PolarHBondContact O-N 2.81Å; R1252-L1254 HydrophobicContact CB-CD1 4.15Å; R1252-L1254 HydrophobicContact CB-CG 4.31Å; R1252-L1254 PolarHBondContact O-N 3.18Å; R1252-I1257 WeakPolarHBondContact O-CB 3.46Å; R1252-Y1477 PolarHBondContact NH1-OH 2.81Å; R1252-Y1477 VanDerWaalsContact NH1-OH 3.11Å; R1252-Y1477 PolarHBondContact NH2-OH 2.82Å; R1252-Y1477 VanDerWaalsContact NH2-OH 3.07Å |
| 1253 | T | 90.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | trans | -76.5 | 52.4 | -174.6 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | E1141 N1144 M1145 L1180 T1205 L1209 | E1141-T1253 PolarHBondContact O-OG1 3.28Å; N1144-T1253 VanDerWaalsContact CB-O 3.26Å; N1144-T1253 WeakPolarHBondContact CB-O 3.49Å; N1144-T1253 PolarHBondContact ND2-O 2.94Å; M1145-T1253 HydrophobicContact CE-CG2 3.63Å; L1180-T1253 HydrophobicContact CD1-CG2 3.77Å; T1205-T1253 HydrophobicContact CG2-CG2 4.26Å; L1209-T1253 HydrophobicContact CD2-CG2 4.1Å | ||
| 1254 | L | 89.2 | Confident | 91.6 | Very high | 3 Ų | 3 | 9.3 Ų | 9.3 | 2% | 0.016 | 5% | 0.045 | C | C | . | . | trans | -90.6 | 143.4 | 175.2 | -64.5 | 164.1 | 0 | 0 | 0 | 109.3 | E1140 E1141 Y1249 R1252 N1256 I1257 F1258 | E1140-L1254 HydrophobicContact CB-CD2 3.78Å; E1140-L1254 WeakPolarHBondContact O-CD2 3.35Å; E1141-L1254 HydrophobicContact CG-CD2 3.8Å; E1141-L1254 HydrophobicContact CG-CG 3.94Å; Y1249-L1254 HydrophobicContact CD1-CD1 3.71Å; Y1249-L1254 HydrophobicContact CE1-CD1 3.97Å; R1252-L1254 HydrophobicContact CB-CD1 4.15Å; R1252-L1254 HydrophobicContact CB-CG 4.31Å; R1252-L1254 PolarHBondContact O-N 3.18Å; L1254-N1256 PolarHBondContact O-N 3Å; L1254-N1256 VanDerWaalsContact O-N 3.11Å; L1254-I1257 HydrophobicContact CB-CB 4.45Å; L1254-I1257 HydrophobicContact CB-CG1 3.93Å; L1254-I1257 HydrophobicContact CD1-CG1 4.22Å; L1254-I1257 PolarHBondContact O-N 3.14Å; L1254-F1258 VanDerWaalsContact O-CD2 3.27Å; L1254-F1258 WeakPolarHBondContact O-CD2 3.27Å; L1254-F1258 PolarHBondContact O-N 2.95Å | ||
| 1255 | P | 89 | Confident | 91.9 | Very high | 12 Ų | 12 | 10.6 Ų | 10.6 | 8% | 0.078 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -52.7 | -34.5 | 172.5 | -26.2 | 35.3 | 0 | 0 | 0 | 113.1 | N1144 I1257 F1258 A1259 | N1144-P1255 WeakPolarHBondContact ND2-CD 3.37Å; P1255-I1257 PolarHBondContact O-N 3.28Å; P1255-F1258 PolarHBondContact O-N 3.21Å; P1255-A1259 WeakPolarHBondContact O-CB 3.44Å; P1255-A1259 PolarHBondContact O-N 2.57Å |
| 1256 | N | 90.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 9.1 Ų | 9.1 | 1% | 0.005 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.4 | -29.9 | 176.3 | -57.1 | 59.7 | 0 | 0 | 0 | 113.1 | L1254 L1260 R1290 R1418 Y1422 | L1254-N1256 PolarHBondContact O-N 3Å; L1254-N1256 VanDerWaalsContact O-N 3.11Å; N1256-L1260 VanDerWaalsContact O-CB 3.26Å; N1256-L1260 WeakPolarHBondContact O-CB 3.16Å; N1256-L1260 PolarHBondContact O-N 3.44Å; N1256-R1290 PolarHBondContact OD1-NE 3.34Å; N1256-R1290 PolarHBondContact OD1-NH1 3.12Å; N1256-R1290 PolarHBondContact OD1-NH2 3.37Å; N1256-R1418 PolarHBondContact ND2-O 2.94Å; N1256-Y1422 VanDerWaalsContact CA-OH 3.26Å; N1256-Y1422 WeakPolarHBondContact CA-OH 3.43Å; N1256-Y1422 WeakPolarHBondContact CB-OH 3.27Å; N1256-Y1422 WeakPolarHBondContact O-CE1 3.32Å |
| 1257 | I | 93 | Very high | 92.6 | Very high | 3 Ų | 3 | 9 Ų | 9 | 2% | 0.015 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -85.6 | -35.2 | -174.9 | -58.7 | -59.5 | 0 | 0 | 0 | 110.7 | L1209 V1213 Y1249 A1250 R1252 L1254 P1255 A1259 L1260 A1261 F1421 | L1209-I1257 HydrophobicContact CD1-CG2 4.46Å; L1209-I1257 HydrophobicContact CD2-CB 4.37Å; L1209-I1257 HydrophobicContact CD2-CG2 3.96Å; L1209-I1257 HydrophobicContact CG-CG2 4.09Å; V1213-I1257 HydrophobicContact CG2-CG2 3.74Å; Y1249-I1257 WeakPolarHBondContact O-CG1 3.11Å; Y1249-I1257 WeakPolarHBondContact O-CG2 3.32Å; A1250-I1257 WeakPolarHBondContact O-CG2 3.23Å; R1252-I1257 WeakPolarHBondContact O-CB 3.46Å; L1254-I1257 HydrophobicContact CB-CB 4.45Å; L1254-I1257 HydrophobicContact CB-CG1 3.93Å; L1254-I1257 HydrophobicContact CD1-CG1 4.22Å; L1254-I1257 PolarHBondContact O-N 3.14Å; P1255-I1257 PolarHBondContact O-N 3.28Å; I1257-A1259 VanDerWaalsContact C-N 3.3Å; I1257-A1259 PolarHBondContact O-N 2.91Å; I1257-L1260 HydrophobicContact CD1-CD2 4.11Å; I1257-L1260 PolarHBondContact O-N 3.41Å; I1257-A1261 PolarHBondContact O-N 2.93Å; I1257-F1421 HydrophobicContact CD1-CD1 4.17Å; I1257-F1421 HydrophobicContact CD1-CE1 4.09Å |
| 1258 | F | 93.5 | Very high | 92.9 | Very high | 9 Ų | 9 | 8.9 Ų | 8.9 | 4% | 0.039 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -56.6 | -47.6 | 163.2 | -70.3 | -80.6 | 0 | 0 | 0 | 111.2 | N1144 G1176 Y1179 L1180 L1209 L1254 P1255 L1260 A1261 L1262 F1289 | N1144-F1258 HydrophobicContact CB-CE2 4.34Å; G1176-F1258 WeakPolarHBondContact O-CE1 3.33Å; Y1179-F1258 HydrophobicContact CD1-CE1 4.36Å; L1180-F1258 HydrophobicContact CD1-CE1 3.77Å; L1180-F1258 HydrophobicContact CD1-CZ 3.4Å; L1180-F1258 HydrophobicContact CD2-CE1 4.14Å; L1180-F1258 HydrophobicContact CG-CE1 3.69Å; L1180-F1258 HydrophobicContact CG-CZ 3.81Å; L1209-F1258 HydrophobicContact CD1-CD1 3.73Å; L1209-F1258 HydrophobicContact CD1-CE1 3.88Å; L1209-F1258 HydrophobicContact CD1-CG 4.17Å; L1209-F1258 HydrophobicContact CD1-CZ 4.42Å; L1209-F1258 HydrophobicContact CD2-CD2 4.41Å; L1209-F1258 HydrophobicContact CD2-CE1 4.46Å; L1209-F1258 HydrophobicContact CD2-CE2 4.15Å; L1209-F1258 HydrophobicContact CD2-CZ 4.19Å; L1254-F1258 VanDerWaalsContact O-CD2 3.27Å; L1254-F1258 WeakPolarHBondContact O-CD2 3.27Å; L1254-F1258 PolarHBondContact O-N 2.95Å; P1255-F1258 PolarHBondContact O-N 3.21Å; F1258-L1260 VanDerWaalsContact C-N 3.35Å; F1258-L1260 PolarHBondContact O-N 3.42Å; F1258-A1261 PolarHBondContact O-N 3.26Å; F1258-L1262 PolarHBondContact O-N 2.66Å; F1258-F1289 HydrophobicContact CB-CD1 3.51Å; F1258-F1289 HydrophobicContact CB-CD2 4.47Å; F1258-F1289 HydrophobicContact CB-CE1 3.48Å; F1258-F1289 VanDerWaalsContact CB-CE1 3.48Å; F1258-F1289 HydrophobicContact CB-CE2 4.44Å; F1258-F1289 HydrophobicContact CB-CG 4.02Å; F1258-F1289 HydrophobicContact CB-CZ 3.97Å; F1258-F1289 HydrophobicContact CD1-CE1 4.04Å; F1258-F1289 HydrophobicContact CD1-CZ 4.28Å; F1258-F1289 HydrophobicContact CD2-CE1 4.33Å; F1258-F1289 HydrophobicContact CG-CD1 4.13Å; F1258-F1289 AromaticContact CG-CE1 3.72Å; F1258-F1289 HydrophobicContact CG-CE1 3.72Å; F1258-F1289 HydrophobicContact CG-CZ 4.32Å |
| 1259 | A | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -65.8 | -36.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1255 I1257 L1262 F1263 F1289 R1290 L1293 Y1422 | P1255-A1259 WeakPolarHBondContact O-CB 3.44Å; P1255-A1259 PolarHBondContact O-N 2.57Å; I1257-A1259 VanDerWaalsContact C-N 3.3Å; I1257-A1259 PolarHBondContact O-N 2.91Å; A1259-L1262 PolarHBondContact O-N 2.84Å; A1259-F1263 VanDerWaalsContact O-CB 3.3Å; A1259-F1263 WeakPolarHBondContact O-CB 3.31Å; A1259-F1263 PolarHBondContact O-N 3.5Å; A1259-F1289 HydrophobicContact CB-CB 3.86Å; A1259-R1290 HydrophobicContact CB-CB 4.13Å; A1259-R1290 HydrophobicContact CB-CG 4.14Å; A1259-L1293 HydrophobicContact CB-CD1 3.65Å; A1259-Y1422 HydrophobicContact CB-CE1 3.97Å |
| 1260 | L | 94.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 8.1 Ų | 8.1 | 1% | 0.005 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 176.2 | 179.1 | 69.8 | 0 | 0 | 0 | 111.3 | V1213 N1256 I1257 F1258 L1262 F1263 L1264 F1421 Y1422 P1425 | V1213-L1260 HydrophobicContact CG1-CD2 4.15Å; N1256-L1260 VanDerWaalsContact O-CB 3.26Å; N1256-L1260 WeakPolarHBondContact O-CB 3.16Å; N1256-L1260 PolarHBondContact O-N 3.44Å; I1257-L1260 HydrophobicContact CD1-CD2 4.11Å; I1257-L1260 PolarHBondContact O-N 3.41Å; F1258-L1260 VanDerWaalsContact C-N 3.35Å; F1258-L1260 PolarHBondContact O-N 3.42Å; L1260-L1262 VanDerWaalsContact C-N 3.28Å; L1260-L1262 PolarHBondContact O-N 2.66Å; L1260-F1263 HydrophobicContact CD1-CD1 4.35Å; L1260-F1263 WeakPolarHBondContact O-CB 3.15Å; L1260-F1263 PolarHBondContact O-N 2.86Å; L1260-F1263 VanDerWaalsContact O-N 3.16Å; L1260-L1264 HydrophobicContact CG-CD1 4.39Å; L1260-L1264 WeakPolarHBondContact O-CG 3.3Å; L1260-L1264 PolarHBondContact O-N 2.92Å; L1260-F1421 HydrophobicContact CD1-CD1 4.34Å; L1260-F1421 HydrophobicContact CD2-CD1 3.74Å; L1260-F1421 HydrophobicContact CD2-CE1 3.7Å; L1260-Y1422 HydrophobicContact CB-CD1 4.34Å; L1260-Y1422 HydrophobicContact CB-CE1 4.25Å; L1260-Y1422 HydrophobicContact CD1-CD1 4.11Å; L1260-P1425 HydrophobicContact CD1-CG 4Å |
| 1261 | A | 93.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 8.3 Ų | 8.3 | 3% | 0.033 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -54.7 | -49.1 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | T1212 V1213 I1257 F1258 L1264 F1265 | T1212-A1261 HydrophobicContact CG2-CB 3.94Å; V1213-A1261 HydrophobicContact CG2-CB 3.97Å; I1257-A1261 PolarHBondContact O-N 2.93Å; F1258-A1261 PolarHBondContact O-N 3.26Å; A1261-L1264 PolarHBondContact O-N 3.45Å; A1261-F1265 VanDerWaalsContact O-CD2 3.27Å; A1261-F1265 WeakPolarHBondContact O-CD2 3.42Å |
| 1262 | L | 95.9 | Very high | 93.3 | Very high | 38 Ų | 38 | 10.7 Ų | 10.7 | 20% | 0.199 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66 | -41.2 | 176.9 | -63.4 | 171 | 0 | 0 | 0 | 112.4 | F1258 A1259 L1260 L1264 F1265 V1266 V1281 F1284 F1289 | F1258-L1262 PolarHBondContact O-N 2.66Å; A1259-L1262 PolarHBondContact O-N 2.84Å; L1260-L1262 VanDerWaalsContact C-N 3.28Å; L1260-L1262 PolarHBondContact O-N 2.66Å; L1262-L1264 VanDerWaalsContact C-N 3.3Å; L1262-L1264 PolarHBondContact O-N 2.91Å; L1262-F1265 WeakPolarHBondContact O-CB 3.37Å; L1262-F1265 PolarHBondContact O-N 3.49Å; L1262-V1266 WeakPolarHBondContact O-CG2 3.18Å; L1262-V1266 PolarHBondContact O-N 3.25Å; L1262-V1281 HydrophobicContact CB-CG1 4.18Å; L1262-V1281 HydrophobicContact CD2-CG1 4.18Å; L1262-F1284 HydrophobicContact CD1-CD1 3.71Å; L1262-F1284 HydrophobicContact CD1-CE1 3.94Å; L1262-F1284 HydrophobicContact CD2-CD1 4.48Å; L1262-F1289 HydrophobicContact CD1-CD2 3.66Å; L1262-F1289 HydrophobicContact CD1-CE2 3.71Å |
| 1263 | F | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -56.8 | -42 | 176.6 | 172.9 | -97.9 | 0 | 0 | 0 | 112.1 | A1259 L1260 F1265 V1266 V1267 L1293 L1296 Y1297 Y1422 L1426 | A1259-F1263 VanDerWaalsContact O-CB 3.3Å; A1259-F1263 WeakPolarHBondContact O-CB 3.31Å; A1259-F1263 PolarHBondContact O-N 3.5Å; L1260-F1263 HydrophobicContact CD1-CD1 4.35Å; L1260-F1263 WeakPolarHBondContact O-CB 3.15Å; L1260-F1263 PolarHBondContact O-N 2.86Å; L1260-F1263 VanDerWaalsContact O-N 3.16Å; F1263-F1265 VanDerWaalsContact C-N 3.28Å; F1263-F1265 PolarHBondContact O-N 2.6Å; F1263-V1266 WeakPolarHBondContact O-CB 3.16Å; F1263-V1266 PolarHBondContact O-N 3.05Å; F1263-V1266 VanDerWaalsContact O-N 3.08Å; F1263-V1267 HydrophobicContact CD1-CG2 4.23Å; F1263-V1267 HydrophobicContact CD2-CG2 4.42Å; F1263-V1267 HydrophobicContact CE1-CG2 3.68Å; F1263-V1267 HydrophobicContact CE2-CG2 3.86Å; F1263-V1267 HydrophobicContact CZ-CG2 3.47Å; F1263-V1267 VanDerWaalsContact CZ-CG2 3.47Å; F1263-V1267 WeakPolarHBondContact O-CG2 3.34Å; F1263-V1267 PolarHBondContact O-N 3.37Å; F1263-L1293 HydrophobicContact CD2-CD2 4.06Å; F1263-L1296 HydrophobicContact CD2-CD2 4.01Å; F1263-L1296 HydrophobicContact CE2-CD2 3.26Å; F1263-L1296 HydrophobicContact CE2-CG 4.09Å; F1263-L1296 HydrophobicContact CZ-CD2 3.67Å; F1263-Y1297 AromaticContact CD2-CE1 3.61Å; F1263-Y1297 HydrophobicContact CD2-CE1 3.61Å; F1263-Y1297 HydrophobicContact CE2-CE1 4.01Å; F1263-Y1422 HydrophobicContact CB-CD1 4.4Å; F1263-Y1422 WeakPolarHBondContact CE1-O 3.31Å; F1263-Y1422 HydrophobicContact CG-CD1 4.43Å; F1263-Y1422 WeakPolarHBondContact CZ-O 3.18Å; F1263-L1426 HydrophobicContact CE1-CG 4.34Å; F1263-L1426 HydrophobicContact CZ-CD1 3.95Å; F1263-L1426 HydrophobicContact CZ-CD2 4.17Å; F1263-L1426 HydrophobicContact CZ-CG 3.93Å |
| 1264 | L | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.6 | -38.8 | 176 | -66.8 | 167.2 | 0 | 0 | 0 | 111.9 | V1213 L1220 L1260 A1261 L1262 A1268 P1425 | V1213-L1264 HydrophobicContact CG1-CD1 4.16Å; L1220-L1264 HydrophobicContact CD2-CD2 3.83Å; L1260-L1264 HydrophobicContact CG-CD1 4.39Å; L1260-L1264 WeakPolarHBondContact O-CG 3.3Å; L1260-L1264 PolarHBondContact O-N 2.92Å; A1261-L1264 PolarHBondContact O-N 3.45Å; L1262-L1264 VanDerWaalsContact C-N 3.3Å; L1262-L1264 PolarHBondContact O-N 2.91Å; L1264-A1268 WeakPolarHBondContact O-CB 3.3Å; L1264-A1268 PolarHBondContact O-N 3.33Å; L1264-P1425 HydrophobicContact CD2-CB 3.75Å; L1264-P1425 HydrophobicContact CD2-CG 3.76Å |
| 1265 | F | 96.7 | Very high | 93.3 | Very high | 43 Ų | 43 | 21.7 Ų | 21.7 | 19% | 0.189 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.9 | -39.4 | 172.7 | -78.8 | -86.5 | 0 | 0 | 0 | 112.9 | F1215 R1219 A1261 L1262 F1263 V1267 A1268 F1269 | F1215-F1265 HydrophobicContact CD1-CE1 4.13Å; F1215-F1265 HydrophobicContact CD1-CE2 4.15Å; F1215-F1265 AromaticContact CD1-CZ 3.37Å; F1215-F1265 HydrophobicContact CD1-CZ 3.37Å; F1215-F1265 AromaticContact CE1-CE1 3.79Å; F1215-F1265 HydrophobicContact CE1-CE1 3.79Å; F1215-F1265 AromaticContact CE1-CZ 3.43Å; F1215-F1265 HydrophobicContact CE1-CZ 3.43Å; F1215-F1265 VanDerWaalsContact CE1-CZ 3.43Å; R1219-F1265 HydrophobicContact CB-CE1 4.26Å; R1219-F1265 HydrophobicContact CG-CD1 3.91Å; R1219-F1265 HydrophobicContact CG-CE1 3.91Å; A1261-F1265 VanDerWaalsContact O-CD2 3.27Å; A1261-F1265 WeakPolarHBondContact O-CD2 3.42Å; L1262-F1265 WeakPolarHBondContact O-CB 3.37Å; L1262-F1265 PolarHBondContact O-N 3.49Å; F1263-F1265 VanDerWaalsContact C-N 3.28Å; F1263-F1265 PolarHBondContact O-N 2.6Å; F1265-V1267 VanDerWaalsContact C-N 3.33Å; F1265-V1267 PolarHBondContact O-N 3.05Å; F1265-A1268 PolarHBondContact O-N 3.33Å; F1265-F1269 HydrophobicContact CB-CD2 4.39Å; F1265-F1269 HydrophobicContact CB-CE2 4.11Å; F1265-F1269 HydrophobicContact CD1-CE2 4.29Å; F1265-F1269 HydrophobicContact CD1-CZ 4.33Å; F1265-F1269 WeakPolarHBondContact O-CD2 3.38Å; F1265-F1269 WeakPolarHBondContact O-CG 3.42Å; F1265-F1269 PolarHBondContact O-N 3.28Å |
| 1266 | V | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.8 | -49 | 175.2 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | L1262 F1263 A1268 F1269 Y1270 A1278 V1281 A1282 Y1297 M1300 | L1262-V1266 WeakPolarHBondContact O-CG2 3.18Å; L1262-V1266 PolarHBondContact O-N 3.25Å; F1263-V1266 WeakPolarHBondContact O-CB 3.16Å; F1263-V1266 PolarHBondContact O-N 3.05Å; F1263-V1266 VanDerWaalsContact O-N 3.08Å; V1266-A1268 VanDerWaalsContact C-N 3.33Å; V1266-A1268 PolarHBondContact O-N 3.47Å; V1266-F1269 PolarHBondContact O-N 3.22Å; V1266-Y1270 VanDerWaalsContact O-CB 3.25Å; V1266-Y1270 WeakPolarHBondContact O-CB 3.07Å; V1266-Y1270 PolarHBondContact O-N 2.66Å; V1266-A1278 HydrophobicContact CG1-CB 4.26Å; V1266-V1281 HydrophobicContact CG2-CB 3.91Å; V1266-V1281 HydrophobicContact CG2-CG1 3.74Å; V1266-A1282 HydrophobicContact CG1-CB 3.96Å; V1266-A1282 HydrophobicContact CG2-CB 3.88Å; V1266-Y1297 HydrophobicContact CB-CE1 4.23Å; V1266-Y1297 HydrophobicContact CG1-CD1 4.24Å; V1266-Y1297 HydrophobicContact CG1-CE1 3.78Å; V1266-Y1297 HydrophobicContact CG2-CE1 4.32Å; V1266-M1300 HydrophobicContact CG1-CE 3.57Å |
| 1267 | V | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.5 | -41.3 | 178.1 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | L1220 F1263 F1265 Y1270 L1271 L1426 M1429 | L1220-V1267 HydrophobicContact CD1-CB 4.2Å; L1220-V1267 HydrophobicContact CD1-CG1 3.71Å; L1220-V1267 HydrophobicContact CD2-CB 4.39Å; L1220-V1267 HydrophobicContact CD2-CG1 4.21Å; F1263-V1267 HydrophobicContact CD1-CG2 4.23Å; F1263-V1267 HydrophobicContact CD2-CG2 4.42Å; F1263-V1267 HydrophobicContact CE1-CG2 3.68Å; F1263-V1267 HydrophobicContact CE2-CG2 3.86Å; F1263-V1267 HydrophobicContact CZ-CG2 3.47Å; F1263-V1267 VanDerWaalsContact CZ-CG2 3.47Å; F1263-V1267 WeakPolarHBondContact O-CG2 3.34Å; F1263-V1267 PolarHBondContact O-N 3.37Å; F1265-V1267 VanDerWaalsContact C-N 3.33Å; F1265-V1267 PolarHBondContact O-N 3.05Å; V1267-Y1270 WeakPolarHBondContact O-CB 3.45Å; V1267-Y1270 PolarHBondContact O-N 2.84Å; V1267-L1271 HydrophobicContact CG1-CD1 4.46Å; V1267-L1271 WeakPolarHBondContact O-CG 3.37Å; V1267-L1271 PolarHBondContact O-N 3.02Å; V1267-L1426 HydrophobicContact CG1-CD2 3.91Å; V1267-L1426 HydrophobicContact CG2-CD2 3.85Å; V1267-M1429 HydrophobicContact CG1-CE 4.13Å; V1267-M1429 HydrophobicContact CG1-SD 3.83Å |
| 1268 | A | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.5 | -49.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | R1219 L1220 S1223 L1264 F1265 V1266 Y1270 L1271 D1272 | R1219-A1268 HydrophobicContact CG-CB 4.06Å; L1220-A1268 HydrophobicContact CB-CB 4.4Å; L1220-A1268 HydrophobicContact CD1-CB 4.27Å; S1223-A1268 PolarHBondContact OG-O 2.88Å; S1223-A1268 VanDerWaalsContact OG-O 3.11Å; L1264-A1268 WeakPolarHBondContact O-CB 3.3Å; L1264-A1268 PolarHBondContact O-N 3.33Å; F1265-A1268 PolarHBondContact O-N 3.33Å; V1266-A1268 VanDerWaalsContact C-N 3.33Å; V1266-A1268 PolarHBondContact O-N 3.47Å; A1268-Y1270 VanDerWaalsContact C-N 3.3Å; A1268-Y1270 PolarHBondContact O-N 3.12Å; A1268-L1271 PolarHBondContact O-N 3.5Å; A1268-D1272 PolarHBondContact O-N 3.45Å |
| 1269 | F | 95.3 | Very high | 93.5 | Very high | 30 Ų | 30 | 28.6 Ų | 28.6 | 13% | 0.132 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.7 | -34.5 | 176.7 | -67.6 | -45.1 | 0 | 0 | 0 | 112.7 | F1265 V1266 D1272 G1273 R1274 M1277 A1278 V1281 | F1265-F1269 HydrophobicContact CB-CD2 4.39Å; F1265-F1269 HydrophobicContact CB-CE2 4.11Å; F1265-F1269 HydrophobicContact CD1-CE2 4.29Å; F1265-F1269 HydrophobicContact CD1-CZ 4.33Å; F1265-F1269 WeakPolarHBondContact O-CD2 3.38Å; F1265-F1269 WeakPolarHBondContact O-CG 3.42Å; F1265-F1269 PolarHBondContact O-N 3.28Å; V1266-F1269 PolarHBondContact O-N 3.22Å; F1269-D1272 PolarHBondContact O-N 3.31Å; F1269-G1273 PolarHBondContact O-N 2.78Å; F1269-R1274 HydrophobicContact CB-CB 4.3Å; F1269-R1274 HydrophobicContact CD1-CB 4.48Å; F1269-R1274 PolarHBondContact O-N 3.23Å; F1269-M1277 HydrophobicContact CD2-CB 4.33Å; F1269-M1277 HydrophobicContact CG-CB 4.32Å; F1269-A1278 HydrophobicContact CB-CB 3.73Å; F1269-V1281 HydrophobicContact CD2-CG2 4.47Å; F1269-V1281 HydrophobicContact CE2-CG2 4.18Å |
| 1270 | Y | 92.4 | Very high | 93.6 | Very high | 21 Ų | 21 | 31.1 Ų | 31.1 | 8% | 0.082 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.3 | -43.7 | 175.1 | -176.9 | -89.8 | 0 | 0 | 0 | 111.6 | V1266 V1267 A1268 G1273 Y1275 M1300 F1301 I1304 L1398 | V1266-Y1270 VanDerWaalsContact O-CB 3.25Å; V1266-Y1270 WeakPolarHBondContact O-CB 3.07Å; V1266-Y1270 PolarHBondContact O-N 2.66Å; V1267-Y1270 WeakPolarHBondContact O-CB 3.45Å; V1267-Y1270 PolarHBondContact O-N 2.84Å; A1268-Y1270 VanDerWaalsContact C-N 3.3Å; A1268-Y1270 PolarHBondContact O-N 3.12Å; Y1270-G1273 PolarHBondContact O-N 2.97Å; Y1270-Y1275 AromaticContact CD2-CD1 3.95Å; Y1270-Y1275 HydrophobicContact CD2-CD1 3.95Å; Y1270-Y1275 HydrophobicContact CD2-CE1 4.03Å; Y1270-Y1275 HydrophobicContact CE2-CD1 4.22Å; Y1270-Y1275 HydrophobicContact CE2-CE1 4.08Å; Y1270-Y1275 HydrophobicContact CG-CE1 4.45Å; Y1270-Y1275 WeakPolarHBondContact O-CE1 3.39Å; Y1270-M1300 HydrophobicContact CD2-CE 4.3Å; Y1270-M1300 HydrophobicContact CD2-CG 4.15Å; Y1270-M1300 HydrophobicContact CD2-SD 4.29Å; Y1270-M1300 HydrophobicContact CE1-CG 4.46Å; Y1270-M1300 HydrophobicContact CE2-CG 3.91Å; Y1270-M1300 HydrophobicContact CG-SD 4.29Å; Y1270-M1300 PolarHBondContact OH-O 2.81Å; Y1270-F1301 HydrophobicContact CD2-CD1 4.44Å; Y1270-F1301 AromaticContact CD2-CE1 3.96Å; Y1270-F1301 HydrophobicContact CD2-CE1 3.96Å; Y1270-F1301 HydrophobicContact CD2-CZ 4.2Å; Y1270-F1301 HydrophobicContact CE2-CD1 4.33Å; Y1270-F1301 HydrophobicContact CE2-CE1 4.3Å; Y1270-I1304 HydrophobicContact CD2-CD1 4.35Å; Y1270-I1304 HydrophobicContact CE2-CD1 3.52Å; Y1270-L1398 HydrophobicContact CD1-CD2 4.35Å; Y1270-L1398 HydrophobicContact CE1-CD2 4.13Å |
| 1271 | L | 91.1 | Very high | 93.6 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.4 | -38.8 | 175.9 | -73.3 | 178.3 | 0 | 0 | 0 | 112.6 | L1220 L1224 A1227 F1228 V1267 A1268 G1273 L1398 M1429 | L1220-L1271 HydrophobicContact CD1-CD1 3.7Å; L1224-L1271 HydrophobicContact CD2-CD1 3.86Å; L1224-L1271 HydrophobicContact CG-CD1 4.13Å; A1227-L1271 HydrophobicContact CB-CB 4.25Å; A1227-L1271 HydrophobicContact CB-CD2 4.38Å; F1228-L1271 HydrophobicContact CE2-CD2 4.1Å; F1228-L1271 HydrophobicContact CZ-CD2 4.43Å; V1267-L1271 HydrophobicContact CG1-CD1 4.46Å; V1267-L1271 WeakPolarHBondContact O-CG 3.37Å; V1267-L1271 PolarHBondContact O-N 3.02Å; A1268-L1271 PolarHBondContact O-N 3.5Å; L1271-G1273 PolarHBondContact O-N 3.06Å; L1271-L1398 HydrophobicContact CD2-CD1 3.97Å; L1271-M1429 HydrophobicContact CD1-CE 3.8Å; L1271-M1429 HydrophobicContact CD2-CE 4.27Å; L1271-M1429 HydrophobicContact CG-CE 4.42Å |
| 1272 | D | 88.8 | Confident | 93.8 | Very high | 51 Ų | 51 | 32.6 Ų | 32.6 | 27% | 0.273 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -3.7 | 177.1 | -63.9 | -11.2 | 0 | 0 | 0 | 113.4 | R1219 S1223 A1268 F1269 R1274 | R1219-D1272 IonicContact CZ-OD2 3.37Å; R1219-D1272 IonicContact NH1-OD2 2.82Å; R1219-D1272 PolarHBondContact NH1-OD2 3.03Å; R1219-D1272 VanDerWaalsContact NH1-OD2 3.14Å; R1219-D1272 IonicContact NH2-OD2 3.71Å; R1219-D1272 PolarHBondContact NH2-OD2 3.06Å; S1223-D1272 WeakPolarHBondContact CA-OD1 3.47Å; S1223-D1272 WeakPolarHBondContact CB-OD1 3.42Å; S1223-D1272 PolarHBondContact OG-OD1 3.41Å; S1223-D1272 PolarHBondContact OG-OD2 2.8Å; S1223-D1272 VanDerWaalsContact OG-OD2 3.06Å; A1268-D1272 PolarHBondContact O-N 3.45Å; F1269-D1272 PolarHBondContact O-N 3.31Å; D1272-R1274 VanDerWaalsContact C-N 3.28Å; D1272-R1274 HydrophobicContact CB-CG 4.43Å; D1272-R1274 PolarHBondContact O-N 3.36Å |
| 1273 | G | 87.1 | Confident | 93.7 | Very high | 34 Ų | 34 | 31.5 Ų | 31.5 | 35% | 0.351 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 10.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F1269 Y1270 L1271 Y1275 | F1269-G1273 PolarHBondContact O-N 2.78Å; Y1270-G1273 PolarHBondContact O-N 2.97Å; L1271-G1273 PolarHBondContact O-N 3.06Å; G1273-Y1275 WeakPolarHBondContact O-CD2 3.4Å; G1273-Y1275 PolarHBondContact O-N 2.95Å |
| 1274 | R | 90.7 | Very high | 93.7 | Very high | 123 Ų | 123 | 33.7 Ų | 33.7 | 46% | 0.464 | 16% | 0.161 | S | C | . | . | trans | -85 | 59.2 | 177.2 | -65.5 | -176.3 | 67.1 | -176.7 | -0.6 | 111 | F1269 D1272 Y1276 M1277 A1278 | F1269-R1274 HydrophobicContact CB-CB 4.3Å; F1269-R1274 HydrophobicContact CD1-CB 4.48Å; F1269-R1274 PolarHBondContact O-N 3.23Å; D1272-R1274 VanDerWaalsContact C-N 3.28Å; D1272-R1274 HydrophobicContact CB-CG 4.43Å; D1272-R1274 PolarHBondContact O-N 3.36Å; R1274-Y1276 VanDerWaalsContact C-N 3.32Å; R1274-Y1276 PolarHBondContact O-N 3.38Å; R1274-M1277 HydrophobicContact CB-CB 4.37Å; R1274-M1277 PolarHBondContact O-N 3.01Å; R1274-M1277 VanDerWaalsContact O-N 3.11Å; R1274-A1278 PolarHBondContact O-N 3.04Å | ||
| 1275 | Y | 90.3 | Very high | 93.6 | Very high | 78 Ų | 78 | 33.7 Ų | 33.7 | 31% | 0.306 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.1 | -35.3 | -170 | -55.9 | -60.2 | 0 | 0 | 0 | 114.7 | Y1270 G1273 A1278 A1279 I1304 | Y1270-Y1275 AromaticContact CD2-CD1 3.95Å; Y1270-Y1275 HydrophobicContact CD2-CD1 3.95Å; Y1270-Y1275 HydrophobicContact CD2-CE1 4.03Å; Y1270-Y1275 HydrophobicContact CE2-CD1 4.22Å; Y1270-Y1275 HydrophobicContact CE2-CE1 4.08Å; Y1270-Y1275 HydrophobicContact CG-CE1 4.45Å; Y1270-Y1275 WeakPolarHBondContact O-CE1 3.39Å; G1273-Y1275 WeakPolarHBondContact O-CD2 3.4Å; G1273-Y1275 PolarHBondContact O-N 2.95Å; Y1275-A1278 PolarHBondContact O-N 2.96Å; Y1275-A1279 WeakPolarHBondContact O-CB 3.41Å; Y1275-A1279 PolarHBondContact O-N 2.89Å; Y1275-I1304 HydrophobicContact CD1-CD1 3.4Å; Y1275-I1304 VanDerWaalsContact CD1-CD1 3.4Å; Y1275-I1304 HydrophobicContact CD2-CD1 4.45Å; Y1275-I1304 HydrophobicContact CE1-CD1 3.45Å; Y1275-I1304 VanDerWaalsContact CE1-CD1 3.45Å; Y1275-I1304 HydrophobicContact CE2-CD1 4.47Å; Y1275-I1304 HydrophobicContact CG-CD1 3.94Å |
| 1276 | Y | 91.7 | Very high | 93.5 | Very high | 83 Ų | 83 | 32 Ų | 32 | 33% | 0.325 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -66.4 | -42.7 | 177.3 | -55.9 | -59 | 0 | 0 | 0 | 111.9 | R1274 A1279 I1280 K1314 L1315 I1318 | R1274-Y1276 VanDerWaalsContact C-N 3.32Å; R1274-Y1276 PolarHBondContact O-N 3.38Å; Y1276-A1279 PolarHBondContact O-N 2.71Å; Y1276-I1280 VanDerWaalsContact O-CG1 3.24Å; Y1276-I1280 WeakPolarHBondContact O-CG1 3.42Å; Y1276-I1280 PolarHBondContact O-N 3.01Å; Y1276-K1314 HydrophobicContact CE1-CB 4.4Å; Y1276-K1314 HydrophobicContact CE1-CD 4.18Å; Y1276-K1314 HydrophobicContact CE1-CG 4.09Å; Y1276-L1315 HydrophobicContact CD1-CD1 3.87Å; Y1276-L1315 HydrophobicContact CE1-CD1 4.33Å; Y1276-I1318 HydrophobicContact CD1-CD1 3.39Å; Y1276-I1318 HydrophobicContact CE1-CD1 3.96Å; Y1276-I1318 HydrophobicContact CG-CD1 4.01Å |
| 1277 | M | 92.8 | Very high | 93.4 | Very high | 87 Ų | 87 | 32.6 Ų | 32.6 | 43% | 0.429 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -67.6 | -40.1 | 175.7 | -71 | -66.3 | 177.7 | 0 | 0 | 111.4 | F1269 R1274 A1279 I1280 V1281 | F1269-M1277 HydrophobicContact CD2-CB 4.33Å; F1269-M1277 HydrophobicContact CG-CB 4.32Å; R1274-M1277 HydrophobicContact CB-CB 4.37Å; R1274-M1277 PolarHBondContact O-N 3.01Å; R1274-M1277 VanDerWaalsContact O-N 3.11Å; M1277-A1279 VanDerWaalsContact C-N 3.3Å; M1277-A1279 PolarHBondContact O-N 2.94Å; M1277-I1280 PolarHBondContact O-N 2.83Å; M1277-V1281 WeakPolarHBondContact O-CG2 3.5Å; M1277-V1281 PolarHBondContact O-N 2.99Å; M1277-V1281 VanDerWaalsContact O-N 3.08Å |
| 1278 | A | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.6 | -44 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1266 F1269 R1274 Y1275 A1282 F1301 | V1266-A1278 HydrophobicContact CG1-CB 4.26Å; F1269-A1278 HydrophobicContact CB-CB 3.73Å; R1274-A1278 PolarHBondContact O-N 3.04Å; Y1275-A1278 PolarHBondContact O-N 2.96Å; A1278-A1282 WeakPolarHBondContact O-CB 3.41Å; A1278-A1282 PolarHBondContact O-N 3.3Å; A1278-F1301 HydrophobicContact CB-CE1 4.41Å; A1278-F1301 HydrophobicContact CB-CZ 3.79Å |
| 1279 | A | 93 | Very high | 93.2 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66 | -44.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1275 Y1276 M1277 V1281 A1282 T1283 F1301 L1315 V1319 | Y1275-A1279 WeakPolarHBondContact O-CB 3.41Å; Y1275-A1279 PolarHBondContact O-N 2.89Å; Y1276-A1279 PolarHBondContact O-N 2.71Å; M1277-A1279 VanDerWaalsContact C-N 3.3Å; M1277-A1279 PolarHBondContact O-N 2.94Å; A1279-V1281 PolarHBondContact O-N 3.06Å; A1279-A1282 WeakPolarHBondContact O-CB 3.46Å; A1279-A1282 PolarHBondContact O-N 3.06Å; A1279-T1283 PolarHBondContact O-N 3.28Å; A1279-T1283 PolarHBondContact O-OG1 2.78Å; A1279-F1301 HydrophobicContact CB-CZ 4.33Å; A1279-L1315 HydrophobicContact CB-CD1 3.6Å; A1279-L1315 HydrophobicContact CB-CG 4.48Å; A1279-V1319 HydrophobicContact CB-CG2 3.92Å |
| 1280 | I | 95.5 | Very high | 93 | Very high | 53 Ų | 53 | 32.4 Ų | 32.4 | 27% | 0.272 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.2 | -48.2 | 178.3 | -66.1 | 167.1 | 0 | 0 | 0 | 110.8 | Y1276 M1277 A1282 T1283 F1284 I1318 T1322 F1326 | Y1276-I1280 VanDerWaalsContact O-CG1 3.24Å; Y1276-I1280 WeakPolarHBondContact O-CG1 3.42Å; Y1276-I1280 PolarHBondContact O-N 3.01Å; M1277-I1280 PolarHBondContact O-N 2.83Å; I1280-A1282 VanDerWaalsContact C-N 3.32Å; I1280-A1282 PolarHBondContact O-N 3.01Å; I1280-T1283 PolarHBondContact O-N 2.88Å; I1280-F1284 PolarHBondContact O-N 3.49Å; I1280-I1318 HydrophobicContact CD1-CG2 4.19Å; I1280-I1318 HydrophobicContact CG1-CG2 3.67Å; I1280-T1322 HydrophobicContact CG1-CG2 4.01Å; I1280-T1322 HydrophobicContact CG2-CG2 4.32Å; I1280-F1326 HydrophobicContact CG2-CE2 4.18Å; I1280-F1326 HydrophobicContact CG2-CZ 4.03Å; I1280-F1326 WeakPolarHBondContact O-CE2 3.43Å |
| 1281 | V | 95.8 | Very high | 92.9 | Very high | 31 Ų | 31 | 33.2 Ų | 33.2 | 19% | 0.188 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.5 | -35.6 | 179.3 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | L1262 V1266 F1269 M1277 A1279 F1284 S1285 | L1262-V1281 HydrophobicContact CB-CG1 4.18Å; L1262-V1281 HydrophobicContact CD2-CG1 4.18Å; V1266-V1281 HydrophobicContact CG2-CB 3.91Å; V1266-V1281 HydrophobicContact CG2-CG1 3.74Å; F1269-V1281 HydrophobicContact CD2-CG2 4.47Å; F1269-V1281 HydrophobicContact CE2-CG2 4.18Å; M1277-V1281 WeakPolarHBondContact O-CG2 3.5Å; M1277-V1281 PolarHBondContact O-N 2.99Å; M1277-V1281 VanDerWaalsContact O-N 3.08Å; A1279-V1281 PolarHBondContact O-N 3.06Å; V1281-F1284 PolarHBondContact O-N 3.22Å; V1281-S1285 PolarHBondContact O-N 3.09Å; V1281-S1285 PolarHBondContact O-OG 3.45Å |
| 1282 | A | 95.7 | Very high | 92.7 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.033 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.7 | -41 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1266 A1278 A1279 I1280 S1285 A1286 Y1297 F1301 | V1266-A1282 HydrophobicContact CG1-CB 3.96Å; V1266-A1282 HydrophobicContact CG2-CB 3.88Å; A1278-A1282 WeakPolarHBondContact O-CB 3.41Å; A1278-A1282 PolarHBondContact O-N 3.3Å; A1279-A1282 WeakPolarHBondContact O-CB 3.46Å; A1279-A1282 PolarHBondContact O-N 3.06Å; I1280-A1282 VanDerWaalsContact C-N 3.32Å; I1280-A1282 PolarHBondContact O-N 3.01Å; A1282-S1285 PolarHBondContact O-OG 3Å; A1282-A1286 WeakPolarHBondContact O-CB 3.42Å; A1282-A1286 PolarHBondContact O-N 3.01Å; A1282-Y1297 HydrophobicContact CB-CD1 3.96Å; A1282-Y1297 HydrophobicContact CB-CD2 3.6Å; A1282-Y1297 HydrophobicContact CB-CE1 3.94Å; A1282-Y1297 HydrophobicContact CB-CE2 3.57Å; A1282-Y1297 HydrophobicContact CB-CG 3.81Å; A1282-Y1297 WeakPolarHBondContact O-CE2 3.21Å; A1282-F1301 HydrophobicContact CB-CE2 4.44Å |
| 1283 | T | 95.6 | Very high | 92.8 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 9% | 0.092 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.4 | -41.2 | 176.1 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | A1279 I1280 A1286 T1287 G1323 F1326 | A1279-T1283 PolarHBondContact O-N 3.28Å; A1279-T1283 PolarHBondContact O-OG1 2.78Å; I1280-T1283 PolarHBondContact O-N 2.88Å; T1283-A1286 PolarHBondContact O-N 3.11Å; T1283-T1287 HydrophobicContact CG2-CG2 4.12Å; T1283-T1287 WeakPolarHBondContact O-CB 3.26Å; T1283-T1287 WeakPolarHBondContact O-CG2 3.32Å; T1283-T1287 PolarHBondContact O-N 3.3Å; T1283-T1287 PolarHBondContact O-OG1 3.38Å; T1283-G1323 VanDerWaalsContact CG2-CA 3.4Å; T1283-F1326 HydrophobicContact CG2-CD2 4.17Å |
| 1284 | F | 96.3 | Very high | 92.9 | Very high | 47 Ų | 47 | 32.4 Ų | 32.4 | 21% | 0.206 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -50.1 | 175 | -176.9 | -107.7 | 0 | 0 | 0 | 112.1 | I1175 L1262 I1280 V1281 A1286 T1287 V1288 F1289 F1326 | I1175-F1284 HydrophobicContact CG2-CZ 4.22Å; L1262-F1284 HydrophobicContact CD1-CD1 3.71Å; L1262-F1284 HydrophobicContact CD1-CE1 3.94Å; L1262-F1284 HydrophobicContact CD2-CD1 4.48Å; I1280-F1284 PolarHBondContact O-N 3.49Å; V1281-F1284 PolarHBondContact O-N 3.22Å; F1284-A1286 VanDerWaalsContact C-N 3.31Å; F1284-A1286 PolarHBondContact O-N 3.25Å; F1284-T1287 PolarHBondContact O-N 3.27Å; F1284-V1288 HydrophobicContact CD2-CG2 3.71Å; F1284-V1288 HydrophobicContact CE2-CB 4.38Å; F1284-V1288 HydrophobicContact CE2-CG2 3.63Å; F1284-V1288 HydrophobicContact CG-CG2 4.41Å; F1284-V1288 HydrophobicContact CZ-CG1 4.44Å; F1284-V1288 HydrophobicContact CZ-CG2 4.25Å; F1284-V1288 VanDerWaalsContact O-CB 3.27Å; F1284-V1288 WeakPolarHBondContact O-CB 3.28Å; F1284-V1288 WeakPolarHBondContact O-CG2 3.47Å; F1284-V1288 PolarHBondContact O-N 3.07Å; F1284-F1289 AromaticContact CE1-CE2 3.92Å; F1284-F1289 HydrophobicContact CE1-CE2 3.92Å; F1284-F1289 HydrophobicContact CZ-CE2 4.42Å; F1284-F1326 HydrophobicContact CB-CD2 3.82Å; F1284-F1326 HydrophobicContact CB-CE1 4.44Å; F1284-F1326 HydrophobicContact CB-CE2 3.6Å; F1284-F1326 HydrophobicContact CB-CG 4.35Å; F1284-F1326 HydrophobicContact CB-CZ 3.94Å; F1284-F1326 HydrophobicContact CD2-CB 4.43Å; F1284-F1326 AromaticContact CD2-CD1 3.56Å; F1284-F1326 HydrophobicContact CD2-CD1 3.56Å; F1284-F1326 HydrophobicContact CD2-CD2 4.15Å; F1284-F1326 AromaticContact CD2-CE1 3.7Å; F1284-F1326 HydrophobicContact CD2-CE1 3.7Å; F1284-F1326 HydrophobicContact CD2-CE2 4.28Å; F1284-F1326 AromaticContact CD2-CG 3.81Å; F1284-F1326 HydrophobicContact CD2-CG 3.81Å; F1284-F1326 HydrophobicContact CD2-CZ 4.07Å; F1284-F1326 HydrophobicContact CE2-CD1 4.24Å; F1284-F1326 HydrophobicContact CE2-CE1 4.44Å; F1284-F1326 HydrophobicContact CG-CE1 4.45Å; F1284-F1326 HydrophobicContact CG-CE2 4.42Å; F1284-F1326 HydrophobicContact CG-CZ 4.39Å |
| 1285 | S | 95.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -61.5 | -39.4 | 180 | 60.7 | 0 | 0 | 0 | 0 | 112.4 | V1281 A1282 F1289 R1290 Y1297 | V1281-S1285 PolarHBondContact O-N 3.09Å; V1281-S1285 PolarHBondContact O-OG 3.45Å; A1282-S1285 PolarHBondContact O-OG 3Å; S1285-F1289 WeakPolarHBondContact O-CB 3.21Å; S1285-F1289 PolarHBondContact O-N 3.47Å; S1285-F1289 VanDerWaalsContact O-N 3.12Å; S1285-R1290 PolarHBondContact O-N 3.47Å; S1285-Y1297 VanDerWaalsContact OG-CE2 3.31Å; S1285-Y1297 WeakPolarHBondContact OG-CE2 3.5Å; S1285-Y1297 PolarHBondContact OG-OH 3.16Å |
| 1286 | A | 94.2 | Very high | 92.9 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 5% | 0.05 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -70.8 | -49.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1282 T1283 F1284 V1288 R1290 L1291 L1293 Y1297 | A1282-A1286 WeakPolarHBondContact O-CB 3.42Å; A1282-A1286 PolarHBondContact O-N 3.01Å; T1283-A1286 PolarHBondContact O-N 3.11Å; F1284-A1286 VanDerWaalsContact C-N 3.31Å; F1284-A1286 PolarHBondContact O-N 3.25Å; A1286-V1288 PolarHBondContact O-N 3.32Å; A1286-R1290 WeakPolarHBondContact CA-O 3.27Å; A1286-R1290 CarbonylContact O-C 3.59Å; A1286-L1291 WeakPolarHBondContact O-CA 3.4Å; A1286-L1291 PolarHBondContact O-N 2.91Å; A1286-L1293 HydrophobicContact CB-CB 4.32Å; A1286-Y1297 HydrophobicContact CB-CD2 4.39Å; A1286-Y1297 HydrophobicContact CB-CE2 4.29Å |
| 1287 | T | 93.5 | Very high | 93 | Very high | 13 Ų | 13 | 22.3 Ų | 22.3 | 8% | 0.08 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -74.6 | -27.7 | -173.5 | 53.4 | 0 | 0 | 0 | 0 | 114 | T1283 F1284 F1326 V1327 W1343 | T1283-T1287 HydrophobicContact CG2-CG2 4.12Å; T1283-T1287 WeakPolarHBondContact O-CB 3.26Å; T1283-T1287 WeakPolarHBondContact O-CG2 3.32Å; T1283-T1287 PolarHBondContact O-N 3.3Å; T1283-T1287 PolarHBondContact O-OG1 3.38Å; F1284-T1287 PolarHBondContact O-N 3.27Å; T1287-F1326 VanDerWaalsContact OG1-CB 3.3Å; T1287-F1326 WeakPolarHBondContact OG1-CB 3.23Å; T1287-V1327 HydrophobicContact CG2-CG2 3.98Å; T1287-W1343 PolarHBondContact O-NE1 3Å |
| 1288 | V | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -98.6 | -43 | -176.3 | 176.2 | 0 | 0 | 0 | 0 | 112.6 | T1173 I1175 F1284 A1286 F1326 E1345 | T1173-V1288 HydrophobicContact CG2-CG1 4.12Å; T1173-V1288 VanDerWaalsContact CG2-O 3.23Å; T1173-V1288 WeakPolarHBondContact CG2-O 3.39Å; I1175-V1288 HydrophobicContact CB-CG1 3.9Å; I1175-V1288 HydrophobicContact CD1-CG1 3.57Å; I1175-V1288 HydrophobicContact CD1-CG2 4.26Å; I1175-V1288 HydrophobicContact CG1-CG1 4.29Å; I1175-V1288 HydrophobicContact CG2-CG1 3.98Å; F1284-V1288 HydrophobicContact CD2-CG2 3.71Å; F1284-V1288 HydrophobicContact CE2-CB 4.38Å; F1284-V1288 HydrophobicContact CE2-CG2 3.63Å; F1284-V1288 HydrophobicContact CG-CG2 4.41Å; F1284-V1288 HydrophobicContact CZ-CG1 4.44Å; F1284-V1288 HydrophobicContact CZ-CG2 4.25Å; F1284-V1288 VanDerWaalsContact O-CB 3.27Å; F1284-V1288 WeakPolarHBondContact O-CB 3.28Å; F1284-V1288 WeakPolarHBondContact O-CG2 3.47Å; F1284-V1288 PolarHBondContact O-N 3.07Å; A1286-V1288 PolarHBondContact O-N 3.32Å; V1288-F1326 HydrophobicContact CG2-CB 4.44Å; V1288-E1345 VanDerWaalsContact O-CG 3.32Å; V1288-E1345 WeakPolarHBondContact O-CG 3.37Å |
| 1289 | F | 93.1 | Very high | 92.7 | Very high | 12 Ų | 12 | 23.5 Ų | 23.5 | 5% | 0.053 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -108.4 | -43.6 | -169.7 | -70.8 | -73 | 0 | 0 | 0 | 114.8 | T1173 I1175 F1258 A1259 L1262 F1284 S1285 E1345 | T1173-F1289 HydrophobicContact CG2-CD1 3.97Å; T1173-F1289 HydrophobicContact CG2-CE1 4.05Å; I1175-F1289 HydrophobicContact CG2-CZ 4.26Å; F1258-F1289 HydrophobicContact CB-CD1 3.51Å; F1258-F1289 HydrophobicContact CB-CD2 4.47Å; F1258-F1289 HydrophobicContact CB-CE1 3.48Å; F1258-F1289 VanDerWaalsContact CB-CE1 3.48Å; F1258-F1289 HydrophobicContact CB-CE2 4.44Å; F1258-F1289 HydrophobicContact CB-CG 4.02Å; F1258-F1289 HydrophobicContact CB-CZ 3.97Å; F1258-F1289 HydrophobicContact CD1-CE1 4.04Å; F1258-F1289 HydrophobicContact CD1-CZ 4.28Å; F1258-F1289 HydrophobicContact CD2-CE1 4.33Å; F1258-F1289 HydrophobicContact CG-CD1 4.13Å; F1258-F1289 AromaticContact CG-CE1 3.72Å; F1258-F1289 HydrophobicContact CG-CE1 3.72Å; F1258-F1289 HydrophobicContact CG-CZ 4.32Å; A1259-F1289 HydrophobicContact CB-CB 3.86Å; L1262-F1289 HydrophobicContact CD1-CD2 3.66Å; L1262-F1289 HydrophobicContact CD1-CE2 3.71Å; F1284-F1289 AromaticContact CE1-CE2 3.92Å; F1284-F1289 HydrophobicContact CE1-CE2 3.92Å; F1284-F1289 HydrophobicContact CZ-CE2 4.42Å; S1285-F1289 WeakPolarHBondContact O-CB 3.21Å; S1285-F1289 PolarHBondContact O-N 3.47Å; S1285-F1289 VanDerWaalsContact O-N 3.12Å; F1289-E1345 VanDerWaalsContact C-CD 3.4Å; F1289-E1345 VanDerWaalsContact O-OE1 3.06Å |
| 1290 | R | 91.5 | Very high | 92.6 | Very high | 14 Ų | 14 | 23.7 Ų | 23.7 | 5% | 0.053 | 14% | 0.137 | C | C | . | . | trans | -155.7 | 97 | -175.4 | -79 | -47.3 | -174.2 | 119.6 | -16 | 112.9 | N1256 A1259 S1285 A1286 E1292 L1293 E1345 Y1422 | N1256-R1290 PolarHBondContact OD1-NE 3.34Å; N1256-R1290 PolarHBondContact OD1-NH1 3.12Å; N1256-R1290 PolarHBondContact OD1-NH2 3.37Å; A1259-R1290 HydrophobicContact CB-CB 4.13Å; A1259-R1290 HydrophobicContact CB-CG 4.14Å; S1285-R1290 PolarHBondContact O-N 3.47Å; A1286-R1290 WeakPolarHBondContact CA-O 3.27Å; A1286-R1290 CarbonylContact O-C 3.59Å; R1290-E1292 HydrophobicContact CB-CG 4.21Å; R1290-E1292 WeakPolarHBondContact CD-OE1 3.32Å; R1290-E1292 WeakPolarHBondContact CD-OE2 3.26Å; R1290-E1292 WeakPolarHBondContact CG-OE1 3.41Å; R1290-E1292 IonicContact CZ-OE1 2.76Å; R1290-E1292 IonicContact NE-OE1 2.62Å; R1290-E1292 IonicContact NH1-OE1 3.22Å; R1290-E1292 PolarHBondContact NH1-OE1 2.85Å; R1290-E1292 PolarHBondContact O-N 3.3Å; R1290-E1292 VanDerWaalsContact O-N 3.09Å; R1290-L1293 HydrophobicContact CB-CD1 4.17Å; R1290-L1293 HydrophobicContact CB-CG 4.49Å; R1290-L1293 WeakPolarHBondContact O-CB 3.33Å; R1290-L1293 PolarHBondContact O-N 2.73Å; R1290-L1293 VanDerWaalsContact O-N 3.08Å; R1290-E1345 VanDerWaalsContact CA-OE2 3.28Å; R1290-E1345 WeakPolarHBondContact CA-OE2 3.24Å; R1290-Y1422 WeakPolarHBondContact CG-OH 3.33Å | ||
| 1291 | L | 90.8 | Very high | 92.3 | Very high | 38 Ų | 38 | 21.9 Ų | 21.9 | 20% | 0.199 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -27.7 | -176 | -166.5 | 64.9 | 0 | 0 | 0 | 113.2 | A1286 L1293 A1294 W1343 E1345 W1349 | A1286-L1291 WeakPolarHBondContact O-CA 3.4Å; A1286-L1291 PolarHBondContact O-N 2.91Å; L1291-L1293 PolarHBondContact O-N 3.34Å; L1291-L1293 VanDerWaalsContact O-N 3.14Å; L1291-A1294 WeakPolarHBondContact O-CB 3.22Å; L1291-A1294 PolarHBondContact O-N 2.83Å; L1291-A1294 VanDerWaalsContact O-N 3.07Å; L1291-W1343 HydrophobicContact CD1-CZ2 4.35Å; L1291-W1343 HydrophobicContact CD2-CH2 4.42Å; L1291-E1345 HydrophobicContact CB-CB 4.41Å; L1291-E1345 PolarHBondContact N-OE2 2.79Å; L1291-W1349 HydrophobicContact CD2-CB 3.66Å; L1291-W1349 HydrophobicContact CD2-CD2 4.49Å; L1291-W1349 HydrophobicContact CD2-CG 3.65Å |
| 1292 | E | 85.6 | Confident | 91.9 | Very high | 28 Ų | 28 | 27.2 Ų | 27.2 | 13% | 0.131 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.4 | 177.1 | 62.5 | -101.6 | -145.9 | 0 | 0 | 115.4 | R1290 A1294 I1295 Y1409 | R1290-E1292 HydrophobicContact CB-CG 4.21Å; R1290-E1292 WeakPolarHBondContact CD-OE1 3.32Å; R1290-E1292 WeakPolarHBondContact CD-OE2 3.26Å; R1290-E1292 WeakPolarHBondContact CG-OE1 3.41Å; R1290-E1292 IonicContact CZ-OE1 2.76Å; R1290-E1292 IonicContact NE-OE1 2.62Å; R1290-E1292 IonicContact NH1-OE1 3.22Å; R1290-E1292 PolarHBondContact NH1-OE1 2.85Å; R1290-E1292 PolarHBondContact O-N 3.3Å; R1290-E1292 VanDerWaalsContact O-N 3.09Å; E1292-A1294 PolarHBondContact O-N 2.87Å; E1292-A1294 VanDerWaalsContact O-N 3.1Å; E1292-I1295 WeakPolarHBondContact O-CB 3.37Å; E1292-I1295 WeakPolarHBondContact O-CG1 3.45Å; E1292-I1295 PolarHBondContact O-N 3.48Å; E1292-Y1409 HydrophobicContact CB-CE2 4.24Å; E1292-Y1409 WeakPolarHBondContact CB-OH 3.46Å; E1292-Y1409 WeakPolarHBondContact CG-OH 3.12Å |
| 1293 | L | 91.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -21.2 | 178.4 | -86.5 | 166.6 | 0 | 0 | 0 | 111.4 | A1259 F1263 A1286 R1290 L1291 I1295 L1296 Y1297 Y1422 | A1259-L1293 HydrophobicContact CB-CD1 3.65Å; F1263-L1293 HydrophobicContact CD2-CD2 4.06Å; A1286-L1293 HydrophobicContact CB-CB 4.32Å; R1290-L1293 HydrophobicContact CB-CD1 4.17Å; R1290-L1293 HydrophobicContact CB-CG 4.49Å; R1290-L1293 WeakPolarHBondContact O-CB 3.33Å; R1290-L1293 PolarHBondContact O-N 2.73Å; R1290-L1293 VanDerWaalsContact O-N 3.08Å; L1291-L1293 PolarHBondContact O-N 3.34Å; L1291-L1293 VanDerWaalsContact O-N 3.14Å; L1293-I1295 PolarHBondContact O-N 2.8Å; L1293-L1296 HydrophobicContact CD2-CD2 4.08Å; L1293-L1296 PolarHBondContact O-N 2.97Å; L1293-L1296 VanDerWaalsContact O-N 3.11Å; L1293-Y1297 HydrophobicContact CB-CD2 4.01Å; L1293-Y1297 HydrophobicContact CB-CE2 3.56Å; L1293-Y1297 HydrophobicContact CD1-CE2 4.42Å; L1293-Y1297 HydrophobicContact CD2-CE2 4.43Å; L1293-Y1297 HydrophobicContact CG-CE2 4.38Å; L1293-Y1297 WeakPolarHBondContact O-CD2 3.47Å; L1293-Y1297 VanDerWaalsContact O-CG 3.26Å; L1293-Y1297 PolarHBondContact O-N 3.39Å; L1293-Y1422 HydrophobicContact CD1-CE1 4.11Å; L1293-Y1422 HydrophobicContact CD1-CE2 4.4Å; L1293-Y1422 HydrophobicContact CD2-CD1 3.88Å; L1293-Y1422 HydrophobicContact CD2-CD2 3.54Å; L1293-Y1422 HydrophobicContact CD2-CE1 4.19Å; L1293-Y1422 HydrophobicContact CD2-CE2 3.87Å; L1293-Y1422 HydrophobicContact CD2-CG 3.54Å; L1293-Y1422 HydrophobicContact CG-CD2 4.11Å; L1293-Y1422 HydrophobicContact CG-CE1 4.39Å; L1293-Y1422 HydrophobicContact CG-CE2 3.9Å; L1293-Y1422 HydrophobicContact CG-CG 4.43Å |
| 1294 | A | 90.3 | Very high | 90.4 | Very high | 47 Ų | 47 | 28.5 Ų | 28.5 | 39% | 0.388 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -54 | -33.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1291 E1292 A1298 | L1291-A1294 WeakPolarHBondContact O-CB 3.22Å; L1291-A1294 PolarHBondContact O-N 2.83Å; L1291-A1294 VanDerWaalsContact O-N 3.07Å; E1292-A1294 PolarHBondContact O-N 2.87Å; E1292-A1294 VanDerWaalsContact O-N 3.1Å; A1294-A1298 WeakPolarHBondContact O-CB 3.32Å; A1294-A1298 PolarHBondContact O-N 3.38Å |
| 1295 | I | 89.4 | Confident | 89.5 | Confident | 58 Ų | 58 | 30 Ų | 30 | 30% | 0.297 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.6 | -51.9 | 176.2 | -58.9 | 172 | 0 | 0 | 0 | 109.9 | E1292 L1293 Y1297 A1298 I1299 Y1405 I1408 Y1409 | E1292-I1295 WeakPolarHBondContact O-CB 3.37Å; E1292-I1295 WeakPolarHBondContact O-CG1 3.45Å; E1292-I1295 PolarHBondContact O-N 3.48Å; L1293-I1295 PolarHBondContact O-N 2.8Å; I1295-Y1297 VanDerWaalsContact C-N 3.33Å; I1295-Y1297 PolarHBondContact O-N 3.41Å; I1295-A1298 PolarHBondContact O-N 2.76Å; I1295-I1299 HydrophobicContact CG2-CD1 4.18Å; I1295-I1299 WeakPolarHBondContact O-CG1 3.27Å; I1295-I1299 PolarHBondContact O-N 3.41Å; I1295-I1299 VanDerWaalsContact O-N 3.09Å; I1295-Y1405 HydrophobicContact CB-CD2 4.28Å; I1295-Y1405 HydrophobicContact CB-CE2 4.37Å; I1295-Y1405 HydrophobicContact CG2-CD2 4.13Å; I1295-I1408 HydrophobicContact CD1-CG2 4.29Å; I1295-I1408 HydrophobicContact CG2-CB 4.49Å; I1295-I1408 HydrophobicContact CG2-CD1 3.64Å; I1295-I1408 HydrophobicContact CG2-CG2 4.18Å; I1295-Y1409 HydrophobicContact CD1-CE2 4.47Å |
| 1296 | L | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.3 | -43.1 | 179.8 | -175.6 | 62 | 0 | 0 | 0 | 111.1 | F1263 L1293 I1299 M1300 C1401 Y1405 L1426 | F1263-L1296 HydrophobicContact CD2-CD2 4.01Å; F1263-L1296 HydrophobicContact CE2-CD2 3.26Å; F1263-L1296 HydrophobicContact CE2-CG 4.09Å; F1263-L1296 HydrophobicContact CZ-CD2 3.67Å; L1293-L1296 HydrophobicContact CD2-CD2 4.08Å; L1293-L1296 PolarHBondContact O-N 2.97Å; L1293-L1296 VanDerWaalsContact O-N 3.11Å; L1296-I1299 PolarHBondContact O-N 3.09Å; L1296-M1300 VanDerWaalsContact O-CB 3.31Å; L1296-M1300 WeakPolarHBondContact O-CB 3.4Å; L1296-M1300 PolarHBondContact O-N 3.02Å; L1296-C1401 WeakPolarHBondContact CD1-SG 3.38Å; L1296-Y1405 HydrophobicContact CB-CD2 3.62Å; L1296-Y1405 HydrophobicContact CB-CE2 3.93Å; L1296-Y1405 HydrophobicContact CB-CG 4.06Å; L1296-Y1405 HydrophobicContact CD1-CD1 4.3Å; L1296-Y1405 HydrophobicContact CD1-CD2 4.23Å; L1296-Y1405 HydrophobicContact CD1-CG 3.79Å; L1296-Y1405 HydrophobicContact CG-CD2 4.41Å; L1296-Y1405 HydrophobicContact CG-CG 4.36Å; L1296-L1426 HydrophobicContact CD1-CD1 4.32Å |
| 1297 | Y | 93.8 | Very high | 87.3 | Confident | 14 Ų | 14 | 40 Ų | 40 | 6% | 0.055 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.8 | -39 | 177.4 | -61.7 | -37.5 | 0 | 0 | 0 | 112.5 | F1263 V1266 A1282 S1285 A1286 L1293 I1295 I1299 M1300 F1301 | F1263-Y1297 AromaticContact CD2-CE1 3.61Å; F1263-Y1297 HydrophobicContact CD2-CE1 3.61Å; F1263-Y1297 HydrophobicContact CE2-CE1 4.01Å; V1266-Y1297 HydrophobicContact CB-CE1 4.23Å; V1266-Y1297 HydrophobicContact CG1-CD1 4.24Å; V1266-Y1297 HydrophobicContact CG1-CE1 3.78Å; V1266-Y1297 HydrophobicContact CG2-CE1 4.32Å; A1282-Y1297 HydrophobicContact CB-CD1 3.96Å; A1282-Y1297 HydrophobicContact CB-CD2 3.6Å; A1282-Y1297 HydrophobicContact CB-CE1 3.94Å; A1282-Y1297 HydrophobicContact CB-CE2 3.57Å; A1282-Y1297 HydrophobicContact CB-CG 3.81Å; A1282-Y1297 WeakPolarHBondContact O-CE2 3.21Å; S1285-Y1297 VanDerWaalsContact OG-CE2 3.31Å; S1285-Y1297 WeakPolarHBondContact OG-CE2 3.5Å; S1285-Y1297 PolarHBondContact OG-OH 3.16Å; A1286-Y1297 HydrophobicContact CB-CD2 4.39Å; A1286-Y1297 HydrophobicContact CB-CE2 4.29Å; L1293-Y1297 HydrophobicContact CB-CD2 4.01Å; L1293-Y1297 HydrophobicContact CB-CE2 3.56Å; L1293-Y1297 HydrophobicContact CD1-CE2 4.42Å; L1293-Y1297 HydrophobicContact CD2-CE2 4.43Å; L1293-Y1297 HydrophobicContact CG-CE2 4.38Å; L1293-Y1297 WeakPolarHBondContact O-CD2 3.47Å; L1293-Y1297 VanDerWaalsContact O-CG 3.26Å; L1293-Y1297 PolarHBondContact O-N 3.39Å; I1295-Y1297 VanDerWaalsContact C-N 3.33Å; I1295-Y1297 PolarHBondContact O-N 3.41Å; Y1297-I1299 PolarHBondContact O-N 2.75Å; Y1297-M1300 HydrophobicContact CD1-CE 3.74Å; Y1297-M1300 HydrophobicContact CE1-CE 4.31Å; Y1297-M1300 PolarHBondContact O-N 3.41Å; Y1297-F1301 WeakPolarHBondContact O-CB 3.41Å; Y1297-F1301 VanDerWaalsContact O-CD2 3.31Å; Y1297-F1301 WeakPolarHBondContact O-CD2 3.37Å; Y1297-F1301 PolarHBondContact O-N 3.2Å |
| 1298 | A | 90 | Very high | 86.1 | Confident | 59 Ų | 59 | 45.4 Ų | 45.4 | 49% | 0.488 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.5 | -48.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | A1294 I1295 M1300 F1301 F1302 | A1294-A1298 WeakPolarHBondContact O-CB 3.32Å; A1294-A1298 PolarHBondContact O-N 3.38Å; I1295-A1298 PolarHBondContact O-N 2.76Å; A1298-M1300 VanDerWaalsContact C-N 3.32Å; A1298-M1300 PolarHBondContact O-N 3.31Å; A1298-F1301 PolarHBondContact O-N 3.28Å; A1298-F1302 VanDerWaalsContact O-CB 3.24Å; A1298-F1302 WeakPolarHBondContact O-CB 3.2Å; A1298-F1302 PolarHBondContact O-N 3.14Å |
| 1299 | I | 90.1 | Very high | 84.9 | Confident | 54 Ų | 54 | 56.3 Ų | 56.3 | 28% | 0.277 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 176.7 | -60.7 | 165.3 | 0 | 0 | 0 | 110.8 | I1295 L1296 Y1297 C1401 I1408 | I1295-I1299 HydrophobicContact CG2-CD1 4.18Å; I1295-I1299 WeakPolarHBondContact O-CG1 3.27Å; I1295-I1299 PolarHBondContact O-N 3.41Å; I1295-I1299 VanDerWaalsContact O-N 3.09Å; L1296-I1299 PolarHBondContact O-N 3.09Å; Y1297-I1299 PolarHBondContact O-N 2.75Å; I1299-C1401 HydrophobicContact CG2-CB 4.08Å; I1299-I1408 HydrophobicContact CD1-CD1 3.81Å |
| 1300 | M | 90.7 | Very high | 83.9 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.9 | -41.7 | -178.7 | -172.9 | 174.2 | 69.4 | 0 | 0 | 113.2 | V1266 Y1270 L1296 Y1297 A1298 L1398 | V1266-M1300 HydrophobicContact CG1-CE 3.57Å; Y1270-M1300 HydrophobicContact CD2-CE 4.3Å; Y1270-M1300 HydrophobicContact CD2-CG 4.15Å; Y1270-M1300 HydrophobicContact CD2-SD 4.29Å; Y1270-M1300 HydrophobicContact CE1-CG 4.46Å; Y1270-M1300 HydrophobicContact CE2-CG 3.91Å; Y1270-M1300 HydrophobicContact CG-SD 4.29Å; Y1270-M1300 PolarHBondContact OH-O 2.81Å; L1296-M1300 VanDerWaalsContact O-CB 3.31Å; L1296-M1300 WeakPolarHBondContact O-CB 3.4Å; L1296-M1300 PolarHBondContact O-N 3.02Å; Y1297-M1300 HydrophobicContact CD1-CE 3.74Å; Y1297-M1300 HydrophobicContact CE1-CE 4.31Å; Y1297-M1300 PolarHBondContact O-N 3.41Å; A1298-M1300 VanDerWaalsContact C-N 3.32Å; A1298-M1300 PolarHBondContact O-N 3.31Å; M1300-L1398 HydrophobicContact CG-CD2 4.37Å; M1300-L1398 HydrophobicContact SD-CD2 4.37Å |
| 1301 | F | 89.9 | Confident | 83.1 | Confident | 15 Ų | 15 | 72.9 Ų | 72.9 | 7% | 0.066 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -90.9 | -14.6 | -176.5 | -76.5 | -78.6 | 0 | 0 | 0 | 114.1 | Y1270 A1278 A1279 A1282 Y1297 A1298 P1303 I1304 L1305 L1315 | Y1270-F1301 HydrophobicContact CD2-CD1 4.44Å; Y1270-F1301 AromaticContact CD2-CE1 3.96Å; Y1270-F1301 HydrophobicContact CD2-CE1 3.96Å; Y1270-F1301 HydrophobicContact CD2-CZ 4.2Å; Y1270-F1301 HydrophobicContact CE2-CD1 4.33Å; Y1270-F1301 HydrophobicContact CE2-CE1 4.3Å; A1278-F1301 HydrophobicContact CB-CE1 4.41Å; A1278-F1301 HydrophobicContact CB-CZ 3.79Å; A1279-F1301 HydrophobicContact CB-CZ 4.33Å; A1282-F1301 HydrophobicContact CB-CE2 4.44Å; Y1297-F1301 WeakPolarHBondContact O-CB 3.41Å; Y1297-F1301 VanDerWaalsContact O-CD2 3.31Å; Y1297-F1301 WeakPolarHBondContact O-CD2 3.37Å; Y1297-F1301 PolarHBondContact O-N 3.2Å; A1298-F1301 PolarHBondContact O-N 3.28Å; F1301-P1303 VanDerWaalsContact C-CD 3.45Å; F1301-I1304 HydrophobicContact CD1-CD1 4.11Å; F1301-I1304 WeakPolarHBondContact O-CB 3.32Å; F1301-I1304 PolarHBondContact O-N 2.82Å; F1301-L1305 PolarHBondContact O-N 2.86Å; F1301-L1305 VanDerWaalsContact O-N 3.14Å; F1301-L1315 HydrophobicContact CD1-CD2 3.94Å |
| 1302 | F | 86.5 | Confident | 82.6 | Confident | 142 Ų | 142 | 71.2 Ų | 71.2 | 62% | 0.623 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -48.8 | -45.4 | 179.9 | 179.2 | -99.3 | 0 | 0 | 0 | 114.2 | A1298 I1304 L1305 S1306 | A1298-F1302 VanDerWaalsContact O-CB 3.24Å; A1298-F1302 WeakPolarHBondContact O-CB 3.2Å; A1298-F1302 PolarHBondContact O-N 3.14Å; F1302-I1304 VanDerWaalsContact C-N 3.26Å; F1302-I1304 PolarHBondContact O-N 2.98Å; F1302-L1305 PolarHBondContact O-N 3.38Å; F1302-S1306 PolarHBondContact O-N 3.06Å; F1302-S1306 PolarHBondContact O-OG 3.42Å |
| 1303 | P | 80.5 | Confident | 82.5 | Confident | 30 Ų | 30 | 74.2 Ų | 74.2 | 20% | 0.195 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.1 | -25.3 | 179.2 | -21.2 | 34.5 | 0 | 0 | 0 | 114.4 | F1301 S1306 K1307 | F1301-P1303 VanDerWaalsContact C-CD 3.45Å; P1303-S1306 PolarHBondContact O-OG 3.12Å; P1303-K1307 PolarHBondContact O-N 3.42Å |
| 1304 | I | 78.9 | Confident | 82.2 | Confident | 17 Ų | 17 | 80.1 Ų | 80.1 | 9% | 0.087 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -77.9 | -41.7 | 178.1 | -61.5 | 179 | 0 | 0 | 0 | 109.6 | Y1270 Y1275 F1301 F1302 S1306 W1308 L1315 | Y1270-I1304 HydrophobicContact CD2-CD1 4.35Å; Y1270-I1304 HydrophobicContact CE2-CD1 3.52Å; Y1275-I1304 HydrophobicContact CD1-CD1 3.4Å; Y1275-I1304 VanDerWaalsContact CD1-CD1 3.4Å; Y1275-I1304 HydrophobicContact CD2-CD1 4.45Å; Y1275-I1304 HydrophobicContact CE1-CD1 3.45Å; Y1275-I1304 VanDerWaalsContact CE1-CD1 3.45Å; Y1275-I1304 HydrophobicContact CE2-CD1 4.47Å; Y1275-I1304 HydrophobicContact CG-CD1 3.94Å; F1301-I1304 HydrophobicContact CD1-CD1 4.11Å; F1301-I1304 WeakPolarHBondContact O-CB 3.32Å; F1301-I1304 PolarHBondContact O-N 2.82Å; F1302-I1304 VanDerWaalsContact C-N 3.26Å; F1302-I1304 PolarHBondContact O-N 2.98Å; I1304-S1306 VanDerWaalsContact C-N 3.33Å; I1304-W1308 PolarHBondContact O-N 2.83Å; I1304-L1315 HydrophobicContact CG2-CD2 4.24Å |
| 1305 | L | 77.6 | Confident | 82 | Confident | 78 Ų | 78 | 78.1 Ų | 78.1 | 41% | 0.408 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 174.8 | -68.6 | 169.7 | 0 | 0 | 0 | 111.3 | F1301 F1302 G1312 L1315 | F1301-L1305 PolarHBondContact O-N 2.86Å; F1301-L1305 VanDerWaalsContact O-N 3.14Å; F1302-L1305 PolarHBondContact O-N 3.38Å; L1305-G1312 WeakPolarHBondContact CD2-O 3.34Å; L1305-L1315 HydrophobicContact CD2-CB 4.5Å; L1305-L1315 HydrophobicContact CD2-CD2 4.14Å |
| 1306 | S | 70.9 | Confident | 81.8 | Confident | 78 Ų | 78 | 77.8 Ų | 77.8 | 55% | 0.545 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -73.5 | -37.7 | -178.4 | 67.8 | 0 | 0 | 0 | 0 | 114.1 | F1302 P1303 I1304 | F1302-S1306 PolarHBondContact O-N 3.06Å; F1302-S1306 PolarHBondContact O-OG 3.42Å; P1303-S1306 PolarHBondContact O-OG 3.12Å; I1304-S1306 VanDerWaalsContact C-N 3.33Å |
| 1307 | K | 72.1 | Confident | 81.7 | Confident | 138 Ų | 138 | 80.7 Ų | 80.7 | 60% | 0.6 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -83.9 | -28.1 | -175.7 | -75.8 | -171.3 | 177.8 | -174.8 | 0 | 114.9 | P1303 | P1303-K1307 PolarHBondContact O-N 3.42Å |
| 1308 | W | 68.2 | Low | 81.6 | Confident | 127 Ų | 127 | 81.7 Ų | 81.7 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | trans | -118.6 | 71.8 | -166.3 | -64 | 76.9 | 0 | 0 | 0 | 112.8 | I1304 R1310 R1311 G1312 | I1304-W1308 PolarHBondContact O-N 2.83Å; W1308-R1310 VanDerWaalsContact C-N 3.33Å; W1308-R1310 PolarHBondContact O-N 2.74Å; W1308-R1311 HydrophobicContact CB-CB 3.97Å; W1308-R1311 HydrophobicContact CE3-CG 4.19Å; W1308-R1311 PolarHBondContact O-N 3.37Å; W1308-G1312 PolarHBondContact O-N 3.33Å | ||
| 1309 | R | 69.8 | Low | 81.6 | Confident | 229 Ų | 229 | 81.7 Ų | 81.7 | 86% | 0.864 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -43.3 | -47.5 | -171.7 | -161.4 | 175.7 | -179.6 | -177.6 | 0.2 | 115.1 | V1313 | R1309-V1313 WeakPolarHBondContact O-CG2 3.32Å; R1309-V1313 PolarHBondContact O-N 3.5Å |
| 1310 | R | 73.2 | Confident | 81.7 | Confident | 236 Ų | 236 | 84.6 Ų | 84.6 | 89% | 0.891 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -73.9 | -43.2 | 176.5 | -77.6 | -171.4 | -168.5 | 171.5 | 4.6 | 114.3 | W1308 K1314 | W1308-R1310 VanDerWaalsContact C-N 3.33Å; W1308-R1310 PolarHBondContact O-N 2.74Å; R1310-K1314 PolarHBondContact O-N 3.15Å |
| 1311 | R | 74.4 | Confident | 81.9 | Confident | 137 Ų | 137 | 90.2 Ų | 90.2 | 52% | 0.517 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72.6 | -31.4 | -179.8 | -63.4 | -173.1 | -178.6 | 169.4 | -2.8 | 111.8 | W1308 K1314 L1315 | W1308-R1311 HydrophobicContact CB-CB 3.97Å; W1308-R1311 HydrophobicContact CE3-CG 4.19Å; W1308-R1311 PolarHBondContact O-N 3.37Å; R1311-K1314 PolarHBondContact O-N 3.2Å; R1311-L1315 WeakPolarHBondContact O-CB 3.44Å; R1311-L1315 PolarHBondContact O-N 3.16Å |
| 1312 | G | 79.5 | Confident | 82.2 | Confident | 4 Ų | 4 | 90.8 Ų | 90.8 | 4% | 0.041 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1305 W1308 L1315 A1316 | L1305-G1312 WeakPolarHBondContact CD2-O 3.34Å; W1308-G1312 PolarHBondContact O-N 3.33Å; G1312-L1315 WeakPolarHBondContact O-CB 3.14Å; G1312-L1315 PolarHBondContact O-N 3.23Å; G1312-A1316 WeakPolarHBondContact O-CB 3.19Å; G1312-A1316 PolarHBondContact O-N 3.26Å |
| 1313 | V | 84.1 | Confident | 82.5 | Confident | 91 Ų | 91 | 84.7 Ų | 84.7 | 55% | 0.552 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.1 | -47.4 | 173.1 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | R1309 L1315 A1316 C1317 | R1309-V1313 WeakPolarHBondContact O-CG2 3.32Å; R1309-V1313 PolarHBondContact O-N 3.5Å; V1313-L1315 VanDerWaalsContact C-N 3.29Å; V1313-L1315 PolarHBondContact O-N 3.41Å; V1313-A1316 PolarHBondContact O-N 3.5Å; V1313-C1317 PolarHBondContact O-N 3.25Å; V1313-C1317 PolarHBondContact O-SG 3.49Å |
| 1314 | K | 84.4 | Confident | 83.2 | Confident | 123 Ų | 123 | 88.4 Ų | 88.4 | 54% | 0.535 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 176.5 | -172.8 | 174.1 | -178.3 | 174.6 | 0 | 112.1 | Y1276 R1310 R1311 C1317 I1318 | Y1276-K1314 HydrophobicContact CE1-CB 4.4Å; Y1276-K1314 HydrophobicContact CE1-CD 4.18Å; Y1276-K1314 HydrophobicContact CE1-CG 4.09Å; R1310-K1314 PolarHBondContact O-N 3.15Å; R1311-K1314 PolarHBondContact O-N 3.2Å; K1314-C1317 PolarHBondContact O-N 3.43Å; K1314-I1318 HydrophobicContact CG-CD1 4.04Å; K1314-I1318 VanDerWaalsContact O-CG1 3.29Å; K1314-I1318 WeakPolarHBondContact O-CG1 3.34Å; K1314-I1318 PolarHBondContact O-N 3.12Å |
| 1315 | L | 86.3 | Confident | 84 | Confident | 6 Ų | 6 | 89.5 Ų | 89.5 | 3% | 0.031 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 176.2 | -169.9 | 69.1 | 0 | 0 | 0 | 111.3 | Y1276 A1279 F1301 I1304 L1305 R1311 G1312 V1313 I1318 V1319 | Y1276-L1315 HydrophobicContact CD1-CD1 3.87Å; Y1276-L1315 HydrophobicContact CE1-CD1 4.33Å; A1279-L1315 HydrophobicContact CB-CD1 3.6Å; A1279-L1315 HydrophobicContact CB-CG 4.48Å; F1301-L1315 HydrophobicContact CD1-CD2 3.94Å; I1304-L1315 HydrophobicContact CG2-CD2 4.24Å; L1305-L1315 HydrophobicContact CD2-CB 4.5Å; L1305-L1315 HydrophobicContact CD2-CD2 4.14Å; R1311-L1315 WeakPolarHBondContact O-CB 3.44Å; R1311-L1315 PolarHBondContact O-N 3.16Å; G1312-L1315 WeakPolarHBondContact O-CB 3.14Å; G1312-L1315 PolarHBondContact O-N 3.23Å; V1313-L1315 VanDerWaalsContact C-N 3.29Å; V1313-L1315 PolarHBondContact O-N 3.41Å; L1315-I1318 PolarHBondContact O-N 2.77Å; L1315-V1319 WeakPolarHBondContact O-CG2 3.41Å; L1315-V1319 PolarHBondContact O-N 3.2Å |
| 1316 | A | 86 | Confident | 84.9 | Confident | 50 Ų | 50 | 87.7 Ų | 87.7 | 41% | 0.413 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1312 V1313 I1318 V1319 L1320 | G1312-A1316 WeakPolarHBondContact O-CB 3.19Å; G1312-A1316 PolarHBondContact O-N 3.26Å; V1313-A1316 PolarHBondContact O-N 3.5Å; A1316-I1318 VanDerWaalsContact C-N 3.35Å; A1316-I1318 PolarHBondContact O-N 3.35Å; A1316-V1319 PolarHBondContact O-N 2.81Å; A1316-L1320 WeakPolarHBondContact O-CB 3.44Å; A1316-L1320 PolarHBondContact O-N 3.24Å |
| 1317 | C | 89.6 | Confident | 86 | Confident | 62 Ų | 62 | 85.7 Ų | 85.7 | 42% | 0.419 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 174.9 | -66.4 | 0 | 0 | 0 | 0 | 112.1 | V1313 K1314 L1320 L1321 | V1313-C1317 PolarHBondContact O-N 3.25Å; V1313-C1317 PolarHBondContact O-SG 3.49Å; K1314-C1317 PolarHBondContact O-N 3.43Å; C1317-L1320 PolarHBondContact O-N 3.29Å; C1317-L1321 WeakPolarHBondContact O-CB 3.18Å; C1317-L1321 VanDerWaalsContact O-CG 3.32Å; C1317-L1321 WeakPolarHBondContact O-CG 3.37Å; C1317-L1321 PolarHBondContact O-N 3.49Å |
| 1318 | I | 90.1 | Very high | 87.1 | Confident | 34 Ų | 34 | 81.6 Ų | 81.6 | 17% | 0.174 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.1 | -50.2 | 176.5 | -72.3 | 164.8 | 0 | 0 | 0 | 110.1 | Y1276 I1280 K1314 L1315 A1316 L1320 L1321 T1322 | Y1276-I1318 HydrophobicContact CD1-CD1 3.39Å; Y1276-I1318 HydrophobicContact CE1-CD1 3.96Å; Y1276-I1318 HydrophobicContact CG-CD1 4.01Å; I1280-I1318 HydrophobicContact CD1-CG2 4.19Å; I1280-I1318 HydrophobicContact CG1-CG2 3.67Å; K1314-I1318 HydrophobicContact CG-CD1 4.04Å; K1314-I1318 VanDerWaalsContact O-CG1 3.29Å; K1314-I1318 WeakPolarHBondContact O-CG1 3.34Å; K1314-I1318 PolarHBondContact O-N 3.12Å; L1315-I1318 PolarHBondContact O-N 2.77Å; A1316-I1318 VanDerWaalsContact C-N 3.35Å; A1316-I1318 PolarHBondContact O-N 3.35Å; I1318-L1320 VanDerWaalsContact C-N 3.29Å; I1318-L1320 PolarHBondContact O-N 2.81Å; I1318-L1321 PolarHBondContact O-N 3.14Å; I1318-T1322 HydrophobicContact CG2-CG2 4.35Å; I1318-T1322 WeakPolarHBondContact O-CB 3.43Å; I1318-T1322 WeakPolarHBondContact O-CG2 3.47Å; I1318-T1322 PolarHBondContact O-N 3.25Å; I1318-T1322 PolarHBondContact O-OG1 3.3Å |
| 1319 | V | 91.7 | Very high | 88.4 | Confident | 60 Ų | 60 | 79.2 Ų | 79.2 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.5 | -44.5 | 178.5 | 169.3 | 0 | 0 | 0 | 0 | 111 | A1279 L1315 A1316 T1322 G1323 | A1279-V1319 HydrophobicContact CB-CG2 3.92Å; L1315-V1319 WeakPolarHBondContact O-CG2 3.41Å; L1315-V1319 PolarHBondContact O-N 3.2Å; A1316-V1319 PolarHBondContact O-N 2.81Å; V1319-T1322 PolarHBondContact O-OG1 3.35Å; V1319-G1323 WeakPolarHBondContact O-CA 3.37Å; V1319-G1323 PolarHBondContact O-N 3.14Å |
| 1320 | L | 92 | Very high | 89.5 | Confident | 115 Ų | 115 | 68.3 Ų | 68.3 | 60% | 0.602 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.7 | -51.7 | 178.7 | -176.3 | 67.1 | 0 | 0 | 0 | 111.9 | A1316 C1317 I1318 G1323 I1324 | A1316-L1320 WeakPolarHBondContact O-CB 3.44Å; A1316-L1320 PolarHBondContact O-N 3.24Å; C1317-L1320 PolarHBondContact O-N 3.29Å; I1318-L1320 VanDerWaalsContact C-N 3.29Å; I1318-L1320 PolarHBondContact O-N 2.81Å; L1320-G1323 PolarHBondContact O-N 3.35Å; L1320-I1324 HydrophobicContact CD1-CD1 4.42Å; L1320-I1324 HydrophobicContact CG-CD1 4.26Å; L1320-I1324 WeakPolarHBondContact O-CG1 3.42Å; L1320-I1324 PolarHBondContact O-N 2.6Å |
| 1321 | L | 94.1 | Very high | 90.6 | Very high | 122 Ų | 122 | 58.4 Ų | 58.4 | 64% | 0.639 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.6 | -45.2 | -179 | -74 | 168.6 | 0 | 0 | 0 | 111.8 | C1317 I1318 G1323 G1325 | C1317-L1321 WeakPolarHBondContact O-CB 3.18Å; C1317-L1321 VanDerWaalsContact O-CG 3.32Å; C1317-L1321 WeakPolarHBondContact O-CG 3.37Å; C1317-L1321 PolarHBondContact O-N 3.49Å; I1318-L1321 PolarHBondContact O-N 3.14Å; L1321-G1323 VanDerWaalsContact C-N 3.32Å; L1321-G1325 PolarHBondContact O-N 3.09Å |
| 1322 | T | 95.4 | Very high | 91.6 | Very high | 28 Ų | 28 | 57 Ų | 57 | 17% | 0.172 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70 | -31.1 | 176.6 | 56.9 | 0 | 0 | 0 | 0 | 112.4 | I1280 I1318 V1319 G1325 F1326 | I1280-T1322 HydrophobicContact CG1-CG2 4.01Å; I1280-T1322 HydrophobicContact CG2-CG2 4.32Å; I1318-T1322 HydrophobicContact CG2-CG2 4.35Å; I1318-T1322 WeakPolarHBondContact O-CB 3.43Å; I1318-T1322 WeakPolarHBondContact O-CG2 3.47Å; I1318-T1322 PolarHBondContact O-N 3.25Å; I1318-T1322 PolarHBondContact O-OG1 3.3Å; V1319-T1322 PolarHBondContact O-OG1 3.35Å; T1322-G1325 PolarHBondContact O-N 2.66Å; T1322-F1326 HydrophobicContact CG2-CE2 4.45Å; T1322-F1326 WeakPolarHBondContact O-CB 3.32Å; T1322-F1326 WeakPolarHBondContact O-CD2 3.4Å; T1322-F1326 VanDerWaalsContact O-CG 3.23Å; T1322-F1326 WeakPolarHBondContact O-CG 3.45Å; T1322-F1326 PolarHBondContact O-N 3.43Å |
| 1323 | G | 94.3 | Very high | 92.3 | Very high | 14 Ų | 14 | 59 Ų | 59 | 14% | 0.144 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1283 V1319 L1320 L1321 G1325 F1326 V1327 | T1283-G1323 VanDerWaalsContact CG2-CA 3.4Å; V1319-G1323 WeakPolarHBondContact O-CA 3.37Å; V1319-G1323 PolarHBondContact O-N 3.14Å; L1320-G1323 PolarHBondContact O-N 3.35Å; L1321-G1323 VanDerWaalsContact C-N 3.32Å; G1323-G1325 VanDerWaalsContact C-N 3.33Å; G1323-G1325 PolarHBondContact O-N 3.02Å; G1323-F1326 PolarHBondContact O-N 3.04Å; G1323-V1327 WeakPolarHBondContact O-CB 3.45Å; G1323-V1327 VanDerWaalsContact O-CG2 3.28Å; G1323-V1327 WeakPolarHBondContact O-CG2 3.45Å; G1323-V1327 PolarHBondContact O-N 3.44Å |
| 1324 | I | 94.3 | Very high | 92.8 | Very high | 108 Ų | 108 | 54.6 Ų | 54.6 | 55% | 0.554 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -58.2 | -47.3 | 174.9 | -65.3 | 166.2 | 0 | 0 | 0 | 110.3 | L1320 F1326 A1328 | L1320-I1324 HydrophobicContact CD1-CD1 4.42Å; L1320-I1324 HydrophobicContact CG-CD1 4.26Å; L1320-I1324 WeakPolarHBondContact O-CG1 3.42Å; L1320-I1324 PolarHBondContact O-N 2.6Å; I1324-F1326 PolarHBondContact O-N 2.87Å; I1324-A1328 WeakPolarHBondContact O-CB 3.43Å; I1324-A1328 PolarHBondContact O-N 2.86Å |
| 1325 | G | 95.6 | Very high | 93.4 | Very high | 39 Ų | 39 | 49.7 Ų | 49.7 | 40% | 0.402 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1321 T1322 G1323 L1329 | L1321-G1325 PolarHBondContact O-N 3.09Å; T1322-G1325 PolarHBondContact O-N 2.66Å; G1323-G1325 VanDerWaalsContact C-N 3.33Å; G1323-G1325 PolarHBondContact O-N 3.02Å; G1325-L1329 WeakPolarHBondContact O-CB 3.43Å; G1325-L1329 PolarHBondContact O-N 3.06Å |
| 1326 | F | 96.6 | Very high | 93.7 | Very high | 41 Ų | 41 | 54.5 Ų | 54.5 | 18% | 0.18 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -77.1 | -33.9 | -179.2 | -64.6 | -41.6 | 0 | 0 | 0 | 113.5 | I1280 T1283 F1284 T1287 V1288 T1322 G1323 I1324 A1328 L1329 S1330 | I1280-F1326 HydrophobicContact CG2-CE2 4.18Å; I1280-F1326 HydrophobicContact CG2-CZ 4.03Å; I1280-F1326 WeakPolarHBondContact O-CE2 3.43Å; T1283-F1326 HydrophobicContact CG2-CD2 4.17Å; F1284-F1326 HydrophobicContact CB-CD2 3.82Å; F1284-F1326 HydrophobicContact CB-CE1 4.44Å; F1284-F1326 HydrophobicContact CB-CE2 3.6Å; F1284-F1326 HydrophobicContact CB-CG 4.35Å; F1284-F1326 HydrophobicContact CB-CZ 3.94Å; F1284-F1326 HydrophobicContact CD2-CB 4.43Å; F1284-F1326 AromaticContact CD2-CD1 3.56Å; F1284-F1326 HydrophobicContact CD2-CD1 3.56Å; F1284-F1326 HydrophobicContact CD2-CD2 4.15Å; F1284-F1326 AromaticContact CD2-CE1 3.7Å; F1284-F1326 HydrophobicContact CD2-CE1 3.7Å; F1284-F1326 HydrophobicContact CD2-CE2 4.28Å; F1284-F1326 AromaticContact CD2-CG 3.81Å; F1284-F1326 HydrophobicContact CD2-CG 3.81Å; F1284-F1326 HydrophobicContact CD2-CZ 4.07Å; F1284-F1326 HydrophobicContact CE2-CD1 4.24Å; F1284-F1326 HydrophobicContact CE2-CE1 4.44Å; F1284-F1326 HydrophobicContact CG-CE1 4.45Å; F1284-F1326 HydrophobicContact CG-CE2 4.42Å; F1284-F1326 HydrophobicContact CG-CZ 4.39Å; T1287-F1326 VanDerWaalsContact OG1-CB 3.3Å; T1287-F1326 WeakPolarHBondContact OG1-CB 3.23Å; V1288-F1326 HydrophobicContact CG2-CB 4.44Å; T1322-F1326 HydrophobicContact CG2-CE2 4.45Å; T1322-F1326 WeakPolarHBondContact O-CB 3.32Å; T1322-F1326 WeakPolarHBondContact O-CD2 3.4Å; T1322-F1326 VanDerWaalsContact O-CG 3.23Å; T1322-F1326 WeakPolarHBondContact O-CG 3.45Å; T1322-F1326 PolarHBondContact O-N 3.43Å; G1323-F1326 PolarHBondContact O-N 3.04Å; I1324-F1326 PolarHBondContact O-N 2.87Å; F1326-A1328 VanDerWaalsContact C-N 3.34Å; F1326-L1329 HydrophobicContact CD1-CD2 4.4Å; F1326-L1329 PolarHBondContact O-N 3.3Å; F1326-S1330 WeakPolarHBondContact O-CB 3.45Å; F1326-S1330 PolarHBondContact O-N 2.93Å |
| 1327 | V | 95.3 | Very high | 94.1 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 22% | 0.218 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 170.4 | 171.5 | 0 | 0 | 0 | 0 | 109.9 | T1287 G1323 L1329 S1330 T1331 W1343 | T1287-V1327 HydrophobicContact CG2-CG2 3.98Å; G1323-V1327 WeakPolarHBondContact O-CB 3.45Å; G1323-V1327 VanDerWaalsContact O-CG2 3.28Å; G1323-V1327 WeakPolarHBondContact O-CG2 3.45Å; G1323-V1327 PolarHBondContact O-N 3.44Å; V1327-L1329 PolarHBondContact O-N 3.13Å; V1327-S1330 PolarHBondContact O-N 3.48Å; V1327-T1331 VanDerWaalsContact O-CB 3.25Å; V1327-T1331 WeakPolarHBondContact O-CB 3.24Å; V1327-T1331 PolarHBondContact O-N 3.01Å; V1327-T1331 PolarHBondContact O-OG1 3.31Å; V1327-W1343 HydrophobicContact CG1-CD2 3.99Å; V1327-W1343 HydrophobicContact CG1-CE3 4.17Å; V1327-W1343 HydrophobicContact CG1-CG 4.34Å; V1327-W1343 HydrophobicContact CG2-CH2 4.18Å; V1327-W1343 HydrophobicContact CG2-CZ2 3.78Å |
| 1328 | A | 94.7 | Very high | 94.2 | Very high | 52 Ų | 52 | 50.4 Ų | 50.4 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1324 F1326 T1331 V1332 | I1324-A1328 WeakPolarHBondContact O-CB 3.43Å; I1324-A1328 PolarHBondContact O-N 2.86Å; F1326-A1328 VanDerWaalsContact C-N 3.34Å; A1328-T1331 PolarHBondContact O-N 3.5Å; A1328-V1332 VanDerWaalsContact O-CG2 3.28Å; A1328-V1332 WeakPolarHBondContact O-CG2 3.42Å; A1328-V1332 PolarHBondContact O-N 3.43Å |
| 1329 | L | 94.3 | Very high | 94.2 | Very high | 76 Ų | 76 | 55 Ų | 55 | 40% | 0.398 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.3 | -50.7 | 177.7 | -180 | 65.3 | 0 | 0 | 0 | 112.7 | G1325 F1326 V1327 T1331 V1332 I1333 | G1325-L1329 WeakPolarHBondContact O-CB 3.43Å; G1325-L1329 PolarHBondContact O-N 3.06Å; F1326-L1329 HydrophobicContact CD1-CD2 4.4Å; F1326-L1329 PolarHBondContact O-N 3.3Å; V1327-L1329 PolarHBondContact O-N 3.13Å; L1329-T1331 VanDerWaalsContact C-N 3.35Å; L1329-V1332 PolarHBondContact O-N 3.05Å; L1329-I1333 HydrophobicContact CD1-CD1 3.71Å; L1329-I1333 HydrophobicContact CD1-CG1 4.34Å; L1329-I1333 HydrophobicContact CG-CD1 4.04Å; L1329-I1333 WeakPolarHBondContact O-CG1 3.4Å; L1329-I1333 PolarHBondContact O-N 2.98Å |
| 1330 | S | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 176.7 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | F1326 V1327 V1332 I1333 D1334 | F1326-S1330 WeakPolarHBondContact O-CB 3.45Å; F1326-S1330 PolarHBondContact O-N 2.93Å; V1327-S1330 PolarHBondContact O-N 3.48Å; S1330-V1332 VanDerWaalsContact C-N 3.35Å; S1330-V1332 PolarHBondContact O-N 3.38Å; S1330-I1333 PolarHBondContact O-N 3.36Å; S1330-D1334 WeakPolarHBondContact O-CB 3.49Å; S1330-D1334 VanDerWaalsContact O-CG 3.23Å; S1330-D1334 PolarHBondContact O-N 2.98Å; S1330-D1334 PolarHBondContact OG-OD2 3.06Å |
| 1331 | T | 95.8 | Very high | 94.3 | Very high | 29 Ų | 29 | 60.6 Ų | 60.6 | 18% | 0.178 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 178.8 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | V1327 A1328 L1329 S1335 L1341 | V1327-T1331 VanDerWaalsContact O-CB 3.25Å; V1327-T1331 WeakPolarHBondContact O-CB 3.24Å; V1327-T1331 PolarHBondContact O-N 3.01Å; V1327-T1331 PolarHBondContact O-OG1 3.31Å; A1328-T1331 PolarHBondContact O-N 3.5Å; L1329-T1331 VanDerWaalsContact C-N 3.35Å; T1331-S1335 WeakPolarHBondContact O-CB 3.44Å; T1331-S1335 PolarHBondContact O-N 3.1Å; T1331-S1335 PolarHBondContact O-OG 3.05Å; T1331-L1341 HydrophobicContact CG2-CD1 3.7Å |
| 1332 | V | 95.9 | Very high | 94.3 | Very high | 108 Ų | 108 | 55.3 Ų | 55.3 | 66% | 0.655 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.2 | -50.6 | 179.2 | 169 | 0 | 0 | 0 | 0 | 111.6 | A1328 L1329 S1330 Y1336 | A1328-V1332 VanDerWaalsContact O-CG2 3.28Å; A1328-V1332 WeakPolarHBondContact O-CG2 3.42Å; A1328-V1332 PolarHBondContact O-N 3.43Å; L1329-V1332 PolarHBondContact O-N 3.05Å; S1330-V1332 VanDerWaalsContact C-N 3.35Å; S1330-V1332 PolarHBondContact O-N 3.38Å; V1332-Y1336 PolarHBondContact O-N 2.81Å |
| 1333 | I | 94.4 | Very high | 94.3 | Very high | 44 Ų | 44 | 57.4 Ų | 57.4 | 23% | 0.226 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.6 | -50.2 | -177.5 | -67.8 | 174.4 | 0 | 0 | 0 | 110.4 | I1175 L1178 L1329 S1330 S1335 Y1336 F1337 | I1175-I1333 HydrophobicContact CD1-CD1 4.21Å; I1175-I1333 HydrophobicContact CG1-CB 4.38Å; I1175-I1333 HydrophobicContact CG1-CD1 4.02Å; I1175-I1333 HydrophobicContact CG1-CG2 4.03Å; L1178-I1333 HydrophobicContact CD1-CG2 3.7Å; L1329-I1333 HydrophobicContact CD1-CD1 3.71Å; L1329-I1333 HydrophobicContact CD1-CG1 4.34Å; L1329-I1333 HydrophobicContact CG-CD1 4.04Å; L1329-I1333 WeakPolarHBondContact O-CG1 3.4Å; L1329-I1333 PolarHBondContact O-N 2.98Å; S1330-I1333 PolarHBondContact O-N 3.36Å; I1333-S1335 PolarHBondContact O-N 2.86Å; I1333-Y1336 WeakPolarHBondContact O-CB 3.42Å; I1333-Y1336 PolarHBondContact O-N 3.29Å; I1333-F1337 HydrophobicContact CG2-CD2 4.14Å; I1333-F1337 HydrophobicContact CG2-CE2 4.11Å; I1333-F1337 VanDerWaalsContact O-CD2 3.32Å; I1333-F1337 WeakPolarHBondContact O-CD2 3.46Å; I1333-F1337 PolarHBondContact O-N 3.43Å |
| 1334 | D | 94.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.8 | -34.7 | -174.2 | -66 | -49.5 | 0 | 0 | 0 | 111.5 | T1173 F1174 S1330 Y1336 F1337 W1338 V1342 P1344 | T1173-D1334 WeakPolarHBondContact CA-OD1 3.48Å; T1173-D1334 WeakPolarHBondContact CB-OD2 3.23Å; T1173-D1334 PolarHBondContact OG1-OD1 3.28Å; T1173-D1334 PolarHBondContact OG1-OD2 3.38Å; F1174-D1334 PolarHBondContact N-OD1 3.09Å; S1330-D1334 WeakPolarHBondContact O-CB 3.49Å; S1330-D1334 VanDerWaalsContact O-CG 3.23Å; S1330-D1334 PolarHBondContact O-N 2.98Å; S1330-D1334 PolarHBondContact OG-OD2 3.06Å; D1334-Y1336 VanDerWaalsContact C-N 3.27Å; D1334-Y1336 PolarHBondContact O-N 3.47Å; D1334-F1337 PolarHBondContact O-N 3.36Å; D1334-W1338 VanDerWaalsContact O-CB 3.32Å; D1334-W1338 WeakPolarHBondContact O-CB 3.32Å; D1334-W1338 VanDerWaalsContact O-CD1 3.25Å; D1334-W1338 PolarHBondContact O-N 3.27Å; D1334-V1342 HydrophobicContact CB-CG1 4.27Å; D1334-P1344 HydrophobicContact CB-CG 3.62Å; D1334-P1344 WeakPolarHBondContact OD2-CD 3.27Å; D1334-P1344 WeakPolarHBondContact OD2-CG 3.34Å |
| 1335 | S | 95.3 | Very high | 94.1 | Very high | 20 Ų | 20 | 51.7 Ų | 51.7 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.3 | -31.7 | 176.2 | -58 | 0 | 0 | 0 | 0 | 113.2 | T1331 I1333 N1339 R1340 L1341 V1342 | T1331-S1335 WeakPolarHBondContact O-CB 3.44Å; T1331-S1335 PolarHBondContact O-N 3.1Å; T1331-S1335 PolarHBondContact O-OG 3.05Å; I1333-S1335 PolarHBondContact O-N 2.86Å; S1335-N1339 WeakPolarHBondContact O-CA 3.42Å; S1335-N1339 PolarHBondContact O-N 3.13Å; S1335-R1340 WeakPolarHBondContact CA-O 3.49Å; S1335-R1340 VanDerWaalsContact CB-O 3.27Å; S1335-R1340 WeakPolarHBondContact CB-O 3.36Å; S1335-R1340 PolarHBondContact O-N 3.05Å; S1335-R1340 PolarHBondContact OG-O 3.4Å; S1335-L1341 WeakPolarHBondContact OG-CA 3.3Å; S1335-V1342 PolarHBondContact OG-N 2.96Å; S1335-V1342 PolarHBondContact OG-O 3.35Å |
| 1336 | Y | 94.2 | Very high | 93.9 | Very high | 107 Ų | 107 | 50.4 Ų | 50.4 | 42% | 0.42 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.6 | -52.5 | 173.3 | 175.6 | -95 | 0 | 0 | 0 | 111.1 | F1156 L1158 V1332 I1333 D1334 N1339 | F1156-Y1336 HydrophobicContact CD1-CE1 4.18Å; L1158-Y1336 HydrophobicContact CD1-CE1 4.11Å; L1158-Y1336 WeakPolarHBondContact CD1-O 3.27Å; L1158-Y1336 HydrophobicContact CD2-CE1 4.27Å; L1158-Y1336 HydrophobicContact CG-CE1 4.49Å; V1332-Y1336 PolarHBondContact O-N 2.81Å; I1333-Y1336 WeakPolarHBondContact O-CB 3.42Å; I1333-Y1336 PolarHBondContact O-N 3.29Å; D1334-Y1336 VanDerWaalsContact C-N 3.27Å; D1334-Y1336 PolarHBondContact O-N 3.47Å; Y1336-N1339 PolarHBondContact O-N 3.41Å |
| 1337 | F | 93.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 50.9 Ų | 50.9 | 6% | 0.057 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.1 | -35.1 | -177.5 | -74.4 | -77 | 0 | 0 | 0 | 113.6 | I1151 L1158 Y1161 H1163 F1164 F1174 L1178 I1333 D1334 N1339 | I1151-F1337 HydrophobicContact CG1-CE1 4.44Å; L1158-F1337 HydrophobicContact CD2-CD1 3.75Å; L1158-F1337 HydrophobicContact CD2-CE1 4.26Å; Y1161-F1337 AromaticContact CE1-CD1 3.9Å; Y1161-F1337 HydrophobicContact CE1-CD1 3.9Å; Y1161-F1337 HydrophobicContact CE1-CE1 4.2Å; H1163-F1337 PolarHBondContact CE1-O 3.33Å; H1163-F1337 PolarHBondContact NE2-O 3.05Å; F1164-F1337 WeakPolarHBondContact CZ-O 3.26Å; F1174-F1337 HydrophobicContact CB-CB 4.2Å; F1174-F1337 HydrophobicContact CB-CD2 3.61Å; F1174-F1337 HydrophobicContact CB-CE2 4.23Å; F1174-F1337 HydrophobicContact CB-CG 3.92Å; F1174-F1337 HydrophobicContact CD1-CB 3.89Å; F1174-F1337 AromaticContact CD1-CD1 3.8Å; F1174-F1337 HydrophobicContact CD1-CD1 3.8Å; F1174-F1337 HydrophobicContact CD1-CD2 4.19Å; F1174-F1337 HydrophobicContact CD1-CE1 4.43Å; F1174-F1337 AromaticContact CD1-CG 3.68Å; F1174-F1337 HydrophobicContact CD1-CG 3.68Å; F1174-F1337 HydrophobicContact CD2-CB 3.27Å; F1174-F1337 HydrophobicContact CD2-CD2 4.34Å; F1174-F1337 AromaticContact CD2-CG 3.89Å; F1174-F1337 HydrophobicContact CD2-CG 3.89Å; F1174-F1337 HydrophobicContact CE1-CB 4.09Å; F1174-F1337 HydrophobicContact CE1-CD1 4.05Å; F1174-F1337 HydrophobicContact CE1-CG 4.16Å; F1174-F1337 HydrophobicContact CE2-CB 3.48Å; F1174-F1337 VanDerWaalsContact CE2-CB 3.48Å; F1174-F1337 HydrophobicContact CE2-CG 4.33Å; F1174-F1337 HydrophobicContact CG-CB 3.5Å; F1174-F1337 VanDerWaalsContact CG-CB 3.5Å; F1174-F1337 HydrophobicContact CG-CD1 4.15Å; F1174-F1337 AromaticContact CG-CD2 3.79Å; F1174-F1337 HydrophobicContact CG-CD2 3.79Å; F1174-F1337 AromaticContact CG-CG 3.53Å; F1174-F1337 HydrophobicContact CG-CG 3.53Å; F1174-F1337 HydrophobicContact CZ-CB 3.89Å; F1174-F1337 HydrophobicContact CZ-CG 4.47Å; L1178-F1337 HydrophobicContact CD1-CE2 3.8Å; L1178-F1337 HydrophobicContact CD1-CZ 4.31Å; L1178-F1337 HydrophobicContact CD2-CE2 4.27Å; L1178-F1337 HydrophobicContact CD2-CZ 3.92Å; L1178-F1337 HydrophobicContact CG-CE2 4.32Å; L1178-F1337 HydrophobicContact CG-CZ 4.39Å; I1333-F1337 HydrophobicContact CG2-CD2 4.14Å; I1333-F1337 HydrophobicContact CG2-CE2 4.11Å; I1333-F1337 VanDerWaalsContact O-CD2 3.32Å; I1333-F1337 WeakPolarHBondContact O-CD2 3.46Å; I1333-F1337 PolarHBondContact O-N 3.43Å; D1334-F1337 PolarHBondContact O-N 3.36Å; F1337-N1339 VanDerWaalsContact C-N 3.25Å; F1337-N1339 PolarHBondContact O-N 3.39Å |
| 1338 | W | 91.5 | Very high | 93.3 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -79.6 | -6.9 | 175.7 | -77.7 | 100.2 | 0 | 0 | 0 | 113.6 | F1143 H1163 P1167 P1171 R1172 F1174 D1334 R1340 V1342 | F1143-W1338 HydrophobicContact CD2-CZ2 4.47Å; F1143-W1338 HydrophobicContact CE2-CH2 4.02Å; F1143-W1338 AromaticContact CE2-CZ2 3.53Å; F1143-W1338 HydrophobicContact CE2-CZ2 3.53Å; F1143-W1338 AromaticContact CZ-CZ2 3.91Å; F1143-W1338 HydrophobicContact CZ-CZ2 3.91Å; H1163-W1338 HydrophobicContact CB-CH2 4.15Å; H1163-W1338 HydrophobicContact CB-CZ3 4.35Å; H1163-W1338 AromaticContact CD2-CE3 3.64Å; H1163-W1338 AromaticContact CD2-CZ3 3.62Å; P1167-W1338 HydrophobicContact CB-CH2 4.21Å; P1167-W1338 HydrophobicContact CB-CZ3 3.87Å; P1167-W1338 WeakPolarHBondContact O-CH2 3.19Å; P1171-W1338 HydrophobicContact CB-CD2 4.07Å; P1171-W1338 HydrophobicContact CB-CH2 4.18Å; P1171-W1338 HydrophobicContact CB-CZ2 3.69Å; R1172-W1338 PolarHBondContact O-NE1 2.94Å; F1174-W1338 AromaticContact CD2-NE1 3.85Å; F1174-W1338 AromaticContact CE2-CD1 3.97Å; F1174-W1338 HydrophobicContact CE2-CZ2 4.5Å; F1174-W1338 AromaticContact CE2-NE1 3.64Å; D1334-W1338 VanDerWaalsContact O-CB 3.32Å; D1334-W1338 WeakPolarHBondContact O-CB 3.32Å; D1334-W1338 VanDerWaalsContact O-CD1 3.25Å; D1334-W1338 PolarHBondContact O-N 3.27Å; W1338-R1340 HydrophobicContact CB-CG 4.16Å; W1338-R1340 PolarHBondContact O-N 3.33Å; W1338-R1340 VanDerWaalsContact O-N 3.16Å; W1338-V1342 HydrophobicContact CB-CG1 3.71Å; W1338-V1342 HydrophobicContact CG-CG1 3.82Å |
| 1339 | N | 90.5 | Very high | 93 | Very high | 129 Ų | 129 | 52.5 Ų | 52.5 | 69% | 0.69 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 33.7 | -175.2 | -163.3 | 32.8 | 0 | 0 | 0 | 113.6 | F1164 S1335 Y1336 F1337 | F1164-N1339 HydrophobicContact CE1-CB 4.03Å; F1164-N1339 HydrophobicContact CZ-CB 3.99Å; S1335-N1339 WeakPolarHBondContact O-CA 3.42Å; S1335-N1339 PolarHBondContact O-N 3.13Å; Y1336-N1339 PolarHBondContact O-N 3.41Å; F1337-N1339 VanDerWaalsContact C-N 3.25Å; F1337-N1339 PolarHBondContact O-N 3.39Å |
| 1340 | R | 92 | Very high | 92.7 | Very high | 141 Ų | 141 | 55.4 Ų | 55.4 | 53% | 0.532 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -160.5 | 150.7 | 175.4 | 65.9 | 179.7 | -179.7 | 176 | -3.3 | 109.5 | S1335 W1338 V1342 | S1335-R1340 WeakPolarHBondContact CA-O 3.49Å; S1335-R1340 VanDerWaalsContact CB-O 3.27Å; S1335-R1340 WeakPolarHBondContact CB-O 3.36Å; S1335-R1340 PolarHBondContact O-N 3.05Å; S1335-R1340 PolarHBondContact OG-O 3.4Å; W1338-R1340 HydrophobicContact CB-CG 4.16Å; W1338-R1340 PolarHBondContact O-N 3.33Å; W1338-R1340 VanDerWaalsContact O-N 3.16Å; R1340-V1342 HydrophobicContact CG-CB 4.5Å; R1340-V1342 PolarHBondContact O-N 3.33Å |
| 1341 | L | 94 | Very high | 92.2 | Very high | 153 Ų | 153 | 57.3 Ų | 57.3 | 80% | 0.801 | 27% | 0.27 | S | S | * | . | trans | -61.1 | 113.7 | 175.9 | -173.3 | 69.1 | 0 | 0 | 0 | 110.3 | T1331 S1335 | T1331-L1341 HydrophobicContact CG2-CD1 3.7Å; S1335-L1341 WeakPolarHBondContact OG-CA 3.3Å | ||
| 1342 | V | 93.7 | Very high | 91.5 | Very high | 10 Ų | 10 | 58.6 Ų | 58.6 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | trans | -149.2 | 135.3 | -177.8 | 70.7 | 0 | 0 | 0 | 0 | 111.8 | P1171 D1334 S1335 W1338 R1340 | P1171-V1342 HydrophobicContact CB-CG2 4.12Å; P1171-V1342 HydrophobicContact CG-CG2 3.72Å; D1334-V1342 HydrophobicContact CB-CG1 4.27Å; S1335-V1342 PolarHBondContact OG-N 2.96Å; S1335-V1342 PolarHBondContact OG-O 3.35Å; W1338-V1342 HydrophobicContact CB-CG1 3.71Å; W1338-V1342 HydrophobicContact CG-CG1 3.82Å; R1340-V1342 HydrophobicContact CG-CB 4.5Å; R1340-V1342 PolarHBondContact O-N 3.33Å | ||
| 1343 | W | 94.8 | Very high | 90.8 | Very high | 73 Ų | 73 | 58.3 Ų | 58.3 | 28% | 0.277 | 27% | 0.27 | S | S | . | . | trans | -106.7 | 106.7 | 158.9 | 173.5 | 32.2 | 0 | 0 | 0 | 107.4 | T1287 L1291 V1327 E1345 G1346 T1347 | T1287-W1343 PolarHBondContact O-NE1 3Å; L1291-W1343 HydrophobicContact CD1-CZ2 4.35Å; L1291-W1343 HydrophobicContact CD2-CH2 4.42Å; V1327-W1343 HydrophobicContact CG1-CD2 3.99Å; V1327-W1343 HydrophobicContact CG1-CE3 4.17Å; V1327-W1343 HydrophobicContact CG1-CG 4.34Å; V1327-W1343 HydrophobicContact CG2-CH2 4.18Å; V1327-W1343 HydrophobicContact CG2-CZ2 3.78Å; W1343-E1345 HydrophobicContact CZ2-CB 4.42Å; W1343-E1345 PolarHBondContact O-N 2.88Å; W1343-G1346 VanDerWaalsContact CE3-CA 3.47Å; W1343-G1346 PolarHBondContact O-N 3.26Å; W1343-T1347 PolarHBondContact O-N 3.09Å; W1343-T1347 PolarHBondContact O-OG1 3.2Å | ||
| 1344 | P | 92.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.2 | -51.8 | -172.5 | -30.3 | 37.4 | 0 | 0 | 0 | 113.3 | D1334 G1346 T1347 V1348 | D1334-P1344 HydrophobicContact CB-CG 3.62Å; D1334-P1344 WeakPolarHBondContact OD2-CD 3.27Å; D1334-P1344 WeakPolarHBondContact OD2-CG 3.34Å; P1344-G1346 VanDerWaalsContact C-N 3.34Å; P1344-G1346 PolarHBondContact O-N 2.99Å; P1344-T1347 WeakPolarHBondContact O-CA 3.35Å; P1344-T1347 WeakPolarHBondContact O-CB 3.34Å; P1344-T1347 PolarHBondContact O-N 3.32Å; P1344-V1348 VanDerWaalsContact O-CG2 3.29Å; P1344-V1348 WeakPolarHBondContact O-CG2 3.22Å; P1344-V1348 PolarHBondContact O-N 2.74Å |
| 1345 | E | 91.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67 | -34 | -177.1 | -68.7 | -56.6 | 123 | 0 | 0 | 112.9 | V1288 F1289 R1290 L1291 W1343 T1347 V1348 W1349 | V1288-E1345 VanDerWaalsContact O-CG 3.32Å; V1288-E1345 WeakPolarHBondContact O-CG 3.37Å; F1289-E1345 VanDerWaalsContact C-CD 3.4Å; F1289-E1345 VanDerWaalsContact O-OE1 3.06Å; R1290-E1345 VanDerWaalsContact CA-OE2 3.28Å; R1290-E1345 WeakPolarHBondContact CA-OE2 3.24Å; L1291-E1345 HydrophobicContact CB-CB 4.41Å; L1291-E1345 PolarHBondContact N-OE2 2.79Å; W1343-E1345 HydrophobicContact CZ2-CB 4.42Å; W1343-E1345 PolarHBondContact O-N 2.88Å; E1345-T1347 VanDerWaalsContact C-N 3.32Å; E1345-T1347 PolarHBondContact O-N 3.04Å; E1345-V1348 PolarHBondContact O-N 3.35Å; E1345-W1349 WeakPolarHBondContact O-CB 3.37Å; E1345-W1349 PolarHBondContact O-N 2.71Å |
| 1346 | G | 91.6 | Very high | 89 | Confident | 12 Ų | 12 | 66.5 Ų | 66.5 | 12% | 0.124 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W1343 P1344 W1349 W1350 | W1343-G1346 VanDerWaalsContact CE3-CA 3.47Å; W1343-G1346 PolarHBondContact O-N 3.26Å; P1344-G1346 VanDerWaalsContact C-N 3.34Å; P1344-G1346 PolarHBondContact O-N 2.99Å; G1346-W1349 PolarHBondContact O-N 3.26Å; G1346-W1350 WeakPolarHBondContact O-CB 3.18Å; G1346-W1350 PolarHBondContact O-N 2.85Å |
| 1347 | T | 90.9 | Very high | 88.4 | Confident | 51 Ų | 51 | 65.6 Ų | 65.6 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.4 | -41.5 | 177.3 | -49.5 | 0 | 0 | 0 | 0 | 111.3 | P1171 W1343 P1344 E1345 W1350 Y1351 | P1171-T1347 HydrophobicContact CG-CG2 3.8Å; W1343-T1347 PolarHBondContact O-N 3.09Å; W1343-T1347 PolarHBondContact O-OG1 3.2Å; P1344-T1347 WeakPolarHBondContact O-CA 3.35Å; P1344-T1347 WeakPolarHBondContact O-CB 3.34Å; P1344-T1347 PolarHBondContact O-N 3.32Å; E1345-T1347 VanDerWaalsContact C-N 3.32Å; E1345-T1347 PolarHBondContact O-N 3.04Å; T1347-W1350 PolarHBondContact O-N 2.95Å; T1347-Y1351 VanDerWaalsContact O-CB 3.25Å; T1347-Y1351 WeakPolarHBondContact O-CB 3.18Å; T1347-Y1351 PolarHBondContact O-N 3.27Å |
| 1348 | V | 88.3 | Confident | 87.4 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 175.3 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | V1170 P1344 E1345 Y1351 N1352 | V1170-V1348 HydrophobicContact CB-CG2 3.9Å; V1170-V1348 HydrophobicContact CG2-CG2 3.83Å; P1344-V1348 VanDerWaalsContact O-CG2 3.29Å; P1344-V1348 WeakPolarHBondContact O-CG2 3.22Å; P1344-V1348 PolarHBondContact O-N 2.74Å; E1345-V1348 PolarHBondContact O-N 3.35Å; V1348-Y1351 PolarHBondContact O-N 2.76Å; V1348-N1352 WeakPolarHBondContact CG1-ND2 3.29Å; V1348-N1352 WeakPolarHBondContact O-CB 3.35Å; V1348-N1352 PolarHBondContact O-N 3.48Å; V1348-N1352 PolarHBondContact O-ND2 3.14Å |
| 1349 | W | 88.4 | Confident | 86.6 | Confident | 115 Ų | 115 | 67 Ų | 67 | 44% | 0.436 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.1 | -48.9 | 175.9 | 177.2 | 87.1 | 0 | 0 | 0 | 111.3 | L1291 E1345 G1346 Y1351 N1352 I1353 V1354 | L1291-W1349 HydrophobicContact CD2-CB 3.66Å; L1291-W1349 HydrophobicContact CD2-CD2 4.49Å; L1291-W1349 HydrophobicContact CD2-CG 3.65Å; E1345-W1349 WeakPolarHBondContact O-CB 3.37Å; E1345-W1349 PolarHBondContact O-N 2.71Å; G1346-W1349 PolarHBondContact O-N 3.26Å; W1349-Y1351 VanDerWaalsContact C-N 3.35Å; W1349-Y1351 PolarHBondContact O-N 2.81Å; W1349-N1352 PolarHBondContact O-N 2.66Å; W1349-I1353 HydrophobicContact CG-CD1 4.15Å; W1349-I1353 VanDerWaalsContact NE1-CD1 3.34Å; W1349-I1353 WeakPolarHBondContact O-CB 3.5Å; W1349-I1353 PolarHBondContact O-N 3.28Å; W1349-V1354 HydrophobicContact CE3-CG2 4.32Å; W1349-V1354 HydrophobicContact CH2-CG2 3.9Å; W1349-V1354 HydrophobicContact CZ3-CG2 3.8Å |
| 1350 | W | 88.2 | Confident | 85.9 | Confident | 137 Ų | 137 | 66.6 Ų | 66.6 | 52% | 0.519 | 32% | 0.324 | S | S | . | . | I | π-helix | trans | -58 | -47.1 | 176.4 | -174.3 | -96.5 | 0 | 0 | 0 | 111.8 | G1346 T1347 V1354 L1355 | G1346-W1350 WeakPolarHBondContact O-CB 3.18Å; G1346-W1350 PolarHBondContact O-N 2.85Å; T1347-W1350 PolarHBondContact O-N 2.95Å; W1350-V1354 HydrophobicContact CD2-CB 3.9Å; W1350-V1354 HydrophobicContact CD2-CG1 4.06Å; W1350-V1354 HydrophobicContact CD2-CG2 4.08Å; W1350-V1354 HydrophobicContact CE3-CB 3.88Å; W1350-V1354 HydrophobicContact CE3-CG1 3.99Å; W1350-V1354 HydrophobicContact CE3-CG2 3.58Å; W1350-V1354 HydrophobicContact CG-CB 4.37Å; W1350-V1354 HydrophobicContact CH2-CG1 3.74Å; W1350-V1354 HydrophobicContact CZ2-CG1 3.81Å; W1350-V1354 HydrophobicContact CZ3-CB 4.21Å; W1350-V1354 HydrophobicContact CZ3-CG1 3.82Å; W1350-V1354 HydrophobicContact CZ3-CG2 3.91Å; W1350-V1354 WeakPolarHBondContact O-CA 3.28Å; W1350-V1354 VanDerWaalsContact O-CB 3.3Å; W1350-V1354 WeakPolarHBondContact O-CB 3.42Å; W1350-V1354 PolarHBondContact O-N 3.01Å; W1350-L1355 PolarHBondContact O-N 3.27Å |
| 1351 | Y | 84.5 | Confident | 85 | Confident | 40 Ų | 40 | 67.1 Ų | 67.1 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -63.2 | -44.9 | -179.3 | -176.2 | -88.1 | 0 | 0 | 0 | 113.1 | V1169 V1170 T1347 V1348 W1349 L1355 K1357 | V1169-Y1351 HydrophobicContact CG1-CE1 3.8Å; V1169-Y1351 HydrophobicContact CG1-CE2 4Å; V1169-Y1351 VanDerWaalsContact CG1-CZ 3.4Å; V1169-Y1351 VanDerWaalsContact CG1-OH 3.23Å; V1169-Y1351 WeakPolarHBondContact CG1-OH 3.48Å; V1170-Y1351 HydrophobicContact CG1-CD1 3.76Å; V1170-Y1351 HydrophobicContact CG1-CD2 3.88Å; V1170-Y1351 HydrophobicContact CG1-CE1 4.39Å; V1170-Y1351 HydrophobicContact CG1-CE2 4.48Å; V1170-Y1351 HydrophobicContact CG1-CG 3.49Å; V1170-Y1351 VanDerWaalsContact CG1-CG 3.49Å; T1347-Y1351 VanDerWaalsContact O-CB 3.25Å; T1347-Y1351 WeakPolarHBondContact O-CB 3.18Å; T1347-Y1351 PolarHBondContact O-N 3.27Å; V1348-Y1351 PolarHBondContact O-N 2.76Å; W1349-Y1351 VanDerWaalsContact C-N 3.35Å; W1349-Y1351 PolarHBondContact O-N 2.81Å; Y1351-L1355 WeakPolarHBondContact O-CB 3.12Å; Y1351-K1357 HydrophobicContact CD1-CB 4.09Å; Y1351-K1357 HydrophobicContact CD2-CD 3.99Å; Y1351-K1357 HydrophobicContact CE1-CB 3.48Å; Y1351-K1357 VanDerWaalsContact CE1-CB 3.48Å; Y1351-K1357 HydrophobicContact CE1-CD 4.32Å; Y1351-K1357 HydrophobicContact CE2-CB 4.1Å; Y1351-K1357 HydrophobicContact CE2-CD 3.32Å; Y1351-K1357 HydrophobicContact CE2-CG 4.29Å; Y1351-K1357 VanDerWaalsContact CZ-CB 3.47Å; Y1351-K1357 VanDerWaalsContact CZ-CD 3.49Å; Y1351-K1357 PolarHBondContact O-N 2.83Å |
| 1352 | N | 82 | Confident | 84.2 | Confident | 56 Ų | 56 | 61.7 Ų | 61.7 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -82.8 | -40 | -174.2 | -74.3 | -33.6 | 0 | 0 | 0 | 113.1 | V1348 W1349 N1356 | V1348-N1352 WeakPolarHBondContact CG1-ND2 3.29Å; V1348-N1352 WeakPolarHBondContact O-CB 3.35Å; V1348-N1352 PolarHBondContact O-N 3.48Å; V1348-N1352 PolarHBondContact O-ND2 3.14Å; W1349-N1352 PolarHBondContact O-N 2.66Å; N1352-N1356 WeakPolarHBondContact O-CA 3.47Å |
| 1353 | I | 79.4 | Confident | 83.6 | Confident | 103 Ų | 103 | 66.3 Ų | 66.3 | 53% | 0.528 | 34% | 0.335 | S | S | . | . | I | π-helix | trans | -96.8 | -48.5 | -172.3 | -69.9 | 162 | 0 | 0 | 0 | 111.1 | W1349 | W1349-I1353 HydrophobicContact CG-CD1 4.15Å; W1349-I1353 VanDerWaalsContact NE1-CD1 3.34Å; W1349-I1353 WeakPolarHBondContact O-CB 3.5Å; W1349-I1353 PolarHBondContact O-N 3.28Å |
| 1354 | V | 82.6 | Confident | 83.1 | Confident | 65 Ų | 65 | 65.7 Ų | 65.7 | 39% | 0.394 | 34% | 0.337 | S | S | . | . | I | π-helix | trans | -79.2 | -42.8 | -175.6 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | W1349 W1350 | W1349-V1354 HydrophobicContact CE3-CG2 4.32Å; W1349-V1354 HydrophobicContact CH2-CG2 3.9Å; W1349-V1354 HydrophobicContact CZ3-CG2 3.8Å; W1350-V1354 HydrophobicContact CD2-CB 3.9Å; W1350-V1354 HydrophobicContact CD2-CG1 4.06Å; W1350-V1354 HydrophobicContact CD2-CG2 4.08Å; W1350-V1354 HydrophobicContact CE3-CB 3.88Å; W1350-V1354 HydrophobicContact CE3-CG1 3.99Å; W1350-V1354 HydrophobicContact CE3-CG2 3.58Å; W1350-V1354 HydrophobicContact CG-CB 4.37Å; W1350-V1354 HydrophobicContact CH2-CG1 3.74Å; W1350-V1354 HydrophobicContact CZ2-CG1 3.81Å; W1350-V1354 HydrophobicContact CZ3-CB 4.21Å; W1350-V1354 HydrophobicContact CZ3-CG1 3.82Å; W1350-V1354 HydrophobicContact CZ3-CG2 3.91Å; W1350-V1354 WeakPolarHBondContact O-CA 3.28Å; W1350-V1354 VanDerWaalsContact O-CB 3.3Å; W1350-V1354 WeakPolarHBondContact O-CB 3.42Å; W1350-V1354 PolarHBondContact O-N 3.01Å |
| 1355 | L | 84.9 | Confident | 83 | Confident | 82 Ų | 82 | 69.2 Ų | 69.2 | 43% | 0.429 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -87.8 | -5.9 | 178 | -57.3 | 178.6 | 0 | 0 | 0 | 113.6 | W1350 Y1351 K1357 | W1350-L1355 PolarHBondContact O-N 3.27Å; Y1351-L1355 WeakPolarHBondContact O-CB 3.12Å; L1355-K1357 HydrophobicContact CB-CD 4.33Å; L1355-K1357 HydrophobicContact CB-CG 3.97Å; L1355-K1357 PolarHBondContact O-N 3.42Å |
| 1356 | N | 79.7 | Confident | 82.9 | Confident | 88 Ų | 88 | 72.5 Ų | 72.5 | 47% | 0.471 | 37% | 0.374 | S | S | . | . | trans | 46.7 | 29.3 | -177.5 | -164.1 | 30.5 | 0 | 0 | 0 | 114.8 | N1352 S1358 S1359 | N1352-N1356 WeakPolarHBondContact O-CA 3.47Å; N1356-S1358 PolarHBondContact O-N 2.7Å; N1356-S1358 VanDerWaalsContact O-N 3.09Å; N1356-S1359 PolarHBondContact O-OG 3.03Å | ||
| 1357 | K | 80.7 | Confident | 82.8 | Confident | 89 Ų | 89 | 77.6 Ų | 77.6 | 39% | 0.387 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -73.7 | -2.5 | -175.9 | -72 | -171.1 | 172 | -169 | 0 | 113.7 | Y1351 L1355 S1359 N1360 | Y1351-K1357 HydrophobicContact CD1-CB 4.09Å; Y1351-K1357 HydrophobicContact CD2-CD 3.99Å; Y1351-K1357 HydrophobicContact CE1-CB 3.48Å; Y1351-K1357 VanDerWaalsContact CE1-CB 3.48Å; Y1351-K1357 HydrophobicContact CE1-CD 4.32Å; Y1351-K1357 HydrophobicContact CE2-CB 4.1Å; Y1351-K1357 HydrophobicContact CE2-CD 3.32Å; Y1351-K1357 HydrophobicContact CE2-CG 4.29Å; Y1351-K1357 VanDerWaalsContact CZ-CB 3.47Å; Y1351-K1357 VanDerWaalsContact CZ-CD 3.49Å; Y1351-K1357 PolarHBondContact O-N 2.83Å; L1355-K1357 HydrophobicContact CB-CD 4.33Å; L1355-K1357 HydrophobicContact CB-CG 3.97Å; L1355-K1357 PolarHBondContact O-N 3.42Å; K1357-S1359 PolarHBondContact O-N 2.7Å; K1357-N1360 WeakPolarHBondContact O-CB 3.37Å; K1357-N1360 PolarHBondContact O-N 3.47Å |
| 1358 | S | 72.9 | Confident | 82.9 | Confident | 13 Ų | 13 | 76.8 Ų | 76.8 | 9% | 0.091 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -64.9 | -28 | 177.6 | 69.2 | 0 | 0 | 0 | 0 | 112.6 | N1356 N1360 W1361 H1414 | N1356-S1358 PolarHBondContact O-N 2.7Å; N1356-S1358 VanDerWaalsContact O-N 3.09Å; S1358-N1360 PolarHBondContact O-N 3.26Å; S1358-W1361 PolarHBondContact O-N 3.04Å; S1358-H1414 VanDerWaalsContact O-CB 3.26Å; S1358-H1414 WeakPolarHBondContact O-CB 3.49Å |
| 1359 | S | 75.2 | Confident | 83.1 | Confident | 41 Ų | 41 | 76.5 Ų | 76.5 | 29% | 0.287 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -64.3 | -21.9 | 178.6 | 55.9 | 0 | 0 | 0 | 0 | 114.1 | N1356 K1357 W1361 G1362 | N1356-S1359 PolarHBondContact O-OG 3.03Å; K1357-S1359 PolarHBondContact O-N 2.7Å; S1359-W1361 PolarHBondContact O-N 2.87Å; S1359-W1361 VanDerWaalsContact O-N 3.14Å; S1359-G1362 PolarHBondContact O-N 3.09Å; S1359-G1362 VanDerWaalsContact O-N 3.14Å |
| 1360 | N | 76.6 | Confident | 83.3 | Confident | 121 Ų | 121 | 74.1 Ų | 74.1 | 65% | 0.647 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -65 | -17.4 | -179.6 | -66.5 | -1.4 | 0 | 0 | 0 | 112.7 | K1357 S1358 G1362 | K1357-N1360 WeakPolarHBondContact O-CB 3.37Å; K1357-N1360 PolarHBondContact O-N 3.47Å; S1358-N1360 PolarHBondContact O-N 3.26Å; N1360-G1362 VanDerWaalsContact C-N 3.3Å |
| 1361 | W | 72 | Confident | 83.3 | Confident | 153 Ų | 153 | 73.6 Ų | 73.6 | 58% | 0.58 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -93 | 13.5 | 179.5 | -55.9 | 99.7 | 0 | 0 | 0 | 112.9 | V1169 S1358 S1359 H1414 | V1169-W1361 HydrophobicContact CG2-CH2 4.32Å; V1169-W1361 HydrophobicContact CG2-CZ2 3.87Å; S1358-W1361 PolarHBondContact O-N 3.04Å; S1359-W1361 PolarHBondContact O-N 2.87Å; S1359-W1361 VanDerWaalsContact O-N 3.14Å; W1361-H1414 PolarHBondContact O-CE1 3.11Å; W1361-H1414 PolarHBondContact O-ND1 2.82Å |
| 1362 | G | 76.9 | Confident | 83.5 | Confident | 38 Ų | 38 | 72.8 Ų | 72.8 | 39% | 0.392 | 37% | 0.374 | S | S | . | . | trans | 95.4 | 151.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1359 N1360 H1414 | S1359-G1362 PolarHBondContact O-N 3.09Å; S1359-G1362 VanDerWaalsContact O-N 3.14Å; N1360-G1362 VanDerWaalsContact C-N 3.3Å; G1362-H1414 VanDerWaalsContact O-CA 3.31Å; G1362-H1414 WeakPolarHBondContact O-CA 3.26Å; G1362-H1414 WeakPolarHBondContact O-CB 3.49Å; G1362-H1414 PolarHBondContact O-ND1 3.4Å; G1362-H1414 VanDerWaalsContact O-ND1 3.17Å | ||
| 1363 | T | 81.2 | Confident | 83.8 | Confident | 107 Ų | 107 | 70.2 Ų | 70.2 | 66% | 0.656 | 36% | 0.361 | S | S | * | . | trans | -108.9 | 135.7 | -177.4 | 61.1 | 0 | 0 | 0 | 0 | 110.9 | P1413 | T1363-P1413 CarbonylContact C-O 3.48Å; T1363-P1413 WeakPolarHBondContact CA-O 3.46Å; T1363-P1413 HydrophobicContact CG2-CB 3.85Å | ||
| 1364 | L | 85.2 | Confident | 84.3 | Confident | 61 Ų | 61 | 65.6 Ų | 65.6 | 32% | 0.319 | 34% | 0.337 | S | S | . | . | trans | -119.6 | 151 | 177.7 | -77 | 166.6 | 0 | 0 | 0 | 110.8 | W1368 P1413 K1415 | L1364-W1368 HydrophobicContact CB-CB 4.29Å; L1364-W1368 HydrophobicContact CB-CG 4.28Å; L1364-W1368 HydrophobicContact CD1-CD2 3.97Å; L1364-W1368 HydrophobicContact CD1-CE3 4.38Å; L1364-W1368 HydrophobicContact CD1-CG 4.22Å; L1364-W1368 HydrophobicContact CD1-CZ2 4.36Å; L1364-W1368 HydrophobicContact CD2-CG 4.43Å; L1364-P1413 PolarHBondContact N-O 2.92Å; L1364-K1415 HydrophobicContact CB-CB 4.26Å; L1364-K1415 HydrophobicContact CB-CD 4.1Å; L1364-K1415 HydrophobicContact CB-CG 4.34Å; L1364-K1415 HydrophobicContact CD1-CB 3.91Å; L1364-K1415 WeakPolarHBondContact CD1-O 3.48Å; L1364-K1415 PolarHBondContact O-NZ 2.72Å | ||
| 1365 | P | 89.6 | Confident | 84.6 | Confident | 74 Ų | 74 | 64.3 Ų | 64.3 | 48% | 0.481 | 33% | 0.33 | S | S | . | . | trans | -53.5 | 148.9 | 178 | -26.9 | 35.7 | 0 | 0 | 0 | 112.9 | F1367 W1368 Y1371 K1415 | P1365-F1367 VanDerWaalsContact C-N 3.32Å; P1365-F1367 PolarHBondContact O-N 3.06Å; P1365-W1368 VanDerWaalsContact O-CB 3.29Å; P1365-W1368 WeakPolarHBondContact O-CB 3.26Å; P1365-W1368 PolarHBondContact O-N 3.33Å; P1365-W1368 VanDerWaalsContact O-N 3.08Å; P1365-Y1371 HydrophobicContact CB-CE1 4.34Å; P1365-Y1371 WeakPolarHBondContact CG-OH 3.39Å; P1365-K1415 VanDerWaalsContact O-CE 3.22Å; P1365-K1415 WeakPolarHBondContact O-CE 3.48Å; P1365-K1415 PolarHBondContact O-NZ 2.95Å | ||
| 1366 | F | 90.2 | Very high | 84.6 | Confident | 69 Ų | 69 | 66.4 Ų | 66.4 | 30% | 0.303 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -48.2 | -176.2 | -179.4 | -98.8 | 0 | 0 | 0 | 113 | W1368 L1407 S1410 F1411 K1415 | F1366-W1368 VanDerWaalsContact C-N 3.34Å; F1366-W1368 PolarHBondContact O-N 3.07Å; F1366-L1407 HydrophobicContact CE1-CD1 4.19Å; F1366-L1407 HydrophobicContact CZ-CD1 4.12Å; F1366-S1410 WeakPolarHBondContact CD2-O 3.35Å; F1366-S1410 WeakPolarHBondContact O-CB 3.49Å; F1366-S1410 PolarHBondContact O-OG 3.05Å; F1366-F1411 HydrophobicContact CE2-CB 4.42Å; F1366-F1411 AromaticContact CE2-CD1 3.74Å; F1366-F1411 HydrophobicContact CE2-CD1 3.74Å; F1366-F1411 AromaticContact CE2-CD2 3.71Å; F1366-F1411 HydrophobicContact CE2-CD2 3.71Å; F1366-F1411 AromaticContact CE2-CE1 3.78Å; F1366-F1411 HydrophobicContact CE2-CE1 3.78Å; F1366-F1411 AromaticContact CE2-CE2 3.75Å; F1366-F1411 HydrophobicContact CE2-CE2 3.75Å; F1366-F1411 AromaticContact CE2-CG 3.71Å; F1366-F1411 HydrophobicContact CE2-CG 3.71Å; F1366-F1411 AromaticContact CE2-CZ 3.79Å; F1366-F1411 HydrophobicContact CE2-CZ 3.79Å; F1366-F1411 HydrophobicContact CZ-CD2 4.12Å; F1366-F1411 HydrophobicContact CZ-CE1 4.32Å; F1366-F1411 AromaticContact CZ-CE2 3.78Å; F1366-F1411 HydrophobicContact CZ-CE2 3.78Å; F1366-F1411 AromaticContact CZ-CZ 3.89Å; F1366-F1411 HydrophobicContact CZ-CZ 3.89Å; F1366-K1415 WeakPolarHBondContact O-CE 3.29Å |
| 1367 | F | 90.4 | Very high | 84.9 | Confident | 120 Ų | 120 | 62.3 Ų | 62.3 | 53% | 0.526 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 10.5 | -176.8 | -70.3 | -66 | 0 | 0 | 0 | 115.5 | P1365 Y1369 F1370 Y1371 | P1365-F1367 VanDerWaalsContact C-N 3.32Å; P1365-F1367 PolarHBondContact O-N 3.06Å; F1367-Y1369 PolarHBondContact O-N 3Å; F1367-Y1369 VanDerWaalsContact O-N 3.07Å; F1367-F1370 AromaticContact CD1-CD2 3.92Å; F1367-F1370 HydrophobicContact CD1-CD2 3.92Å; F1367-F1370 PolarHBondContact O-N 3.45Å; F1367-Y1371 VanDerWaalsContact C-CE1 3.47Å; F1367-Y1371 HydrophobicContact CB-CD1 4.06Å; F1367-Y1371 HydrophobicContact CB-CE1 4.44Å; F1367-Y1371 WeakPolarHBondContact O-CD1 3.42Å; F1367-Y1371 PolarHBondContact O-N 3.39Å; F1367-Y1371 VanDerWaalsContact O-N 3.11Å |
| 1368 | W | 92.7 | Very high | 85.4 | Confident | 34 Ų | 34 | 58.1 Ų | 58.1 | 13% | 0.129 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -52.7 | -35.4 | -177.1 | -178.4 | 92.2 | 0 | 0 | 0 | 114.1 | L1364 P1365 F1366 F1370 Y1371 S1372 A1373 K1415 | L1364-W1368 HydrophobicContact CB-CB 4.29Å; L1364-W1368 HydrophobicContact CB-CG 4.28Å; L1364-W1368 HydrophobicContact CD1-CD2 3.97Å; L1364-W1368 HydrophobicContact CD1-CE3 4.38Å; L1364-W1368 HydrophobicContact CD1-CG 4.22Å; L1364-W1368 HydrophobicContact CD1-CZ2 4.36Å; L1364-W1368 HydrophobicContact CD2-CG 4.43Å; P1365-W1368 VanDerWaalsContact O-CB 3.29Å; P1365-W1368 WeakPolarHBondContact O-CB 3.26Å; P1365-W1368 PolarHBondContact O-N 3.33Å; P1365-W1368 VanDerWaalsContact O-N 3.08Å; F1366-W1368 VanDerWaalsContact C-N 3.34Å; F1366-W1368 PolarHBondContact O-N 3.07Å; W1368-F1370 VanDerWaalsContact C-N 3.32Å; W1368-F1370 PolarHBondContact O-N 3.09Å; W1368-Y1371 HydrophobicContact CB-CE1 4.04Å; W1368-Y1371 AromaticContact CD1-CZ 3.83Å; W1368-Y1371 VanDerWaalsContact N-CE1 3.31Å; W1368-S1372 WeakPolarHBondContact O-CA 3.02Å; W1368-S1372 VanDerWaalsContact O-CB 3.28Å; W1368-S1372 WeakPolarHBondContact O-CB 3.44Å; W1368-S1372 PolarHBondContact O-N 3.42Å; W1368-A1373 HydrophobicContact CE3-CB 3.97Å; W1368-A1373 HydrophobicContact CH2-CB 3.99Å; W1368-A1373 HydrophobicContact CZ3-CB 3.55Å; W1368-A1373 PolarHBondContact O-N 3.16Å; W1368-K1415 HydrophobicContact CB-CD 3.97Å; W1368-K1415 HydrophobicContact CE3-CB 3.84Å; W1368-K1415 HydrophobicContact CE3-CD 4.45Å; W1368-K1415 HydrophobicContact CZ3-CB 4.2Å |
| 1369 | Y | 92.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -61.1 | -40.1 | 174.9 | -75.4 | -54.1 | 0 | 0 | 0 | 113.4 | F1367 A1373 I1374 V1406 K1415 E1416 I1420 | F1367-Y1369 PolarHBondContact O-N 3Å; F1367-Y1369 VanDerWaalsContact O-N 3.07Å; Y1369-A1373 HydrophobicContact CD1-CB 3.7Å; Y1369-A1373 HydrophobicContact CE1-CB 4.45Å; Y1369-A1373 PolarHBondContact O-N 3.3Å; Y1369-I1374 WeakPolarHBondContact O-CB 3.5Å; Y1369-I1374 WeakPolarHBondContact O-CG1 3.43Å; Y1369-I1374 PolarHBondContact O-N 2.82Å; Y1369-V1406 HydrophobicContact CG-CG1 4.27Å; Y1369-K1415 HydrophobicContact CD2-CD 4.01Å; Y1369-K1415 HydrophobicContact CD2-CG 4.36Å; Y1369-K1415 HydrophobicContact CE1-CB 4.23Å; Y1369-K1415 HydrophobicContact CE2-CB 3.86Å; Y1369-K1415 HydrophobicContact CE2-CD 3.88Å; Y1369-K1415 HydrophobicContact CE2-CG 3.71Å; Y1369-K1415 WeakPolarHBondContact OH-CA 3.28Å; Y1369-E1416 WeakPolarHBondContact CE1-O 3.36Å; Y1369-E1416 PolarHBondContact OH-N 3.38Å; Y1369-E1416 PolarHBondContact OH-O 3.45Å; Y1369-I1420 HydrophobicContact CD1-CB 4.49Å; Y1369-I1420 HydrophobicContact CD1-CD1 3.4Å; Y1369-I1420 VanDerWaalsContact CD1-CD1 3.4Å; Y1369-I1420 HydrophobicContact CD1-CG1 3.8Å; Y1369-I1420 HydrophobicContact CD1-CG2 3.94Å; Y1369-I1420 HydrophobicContact CD2-CG2 4.22Å; Y1369-I1420 HydrophobicContact CE1-CB 4.39Å; Y1369-I1420 HydrophobicContact CE1-CD1 3.96Å; Y1369-I1420 HydrophobicContact CE1-CG1 3.81Å; Y1369-I1420 HydrophobicContact CE1-CG2 3.73Å; Y1369-I1420 HydrophobicContact CE2-CG2 4.03Å; Y1369-I1420 HydrophobicContact CG-CD1 4.04Å; Y1369-I1420 HydrophobicContact CG-CG2 4.17Å |
| 1370 | F | 91.2 | Very high | 86.8 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 29% | 0.285 | 30% | 0.304 | S | S | . | . | I | π-helix | trans | -81.2 | -41 | -175.6 | -68.9 | -84.6 | 0 | 0 | 0 | 112.9 | F1367 W1368 I1374 P1375 L1403 V1406 L1407 | F1367-F1370 AromaticContact CD1-CD2 3.92Å; F1367-F1370 HydrophobicContact CD1-CD2 3.92Å; F1367-F1370 PolarHBondContact O-N 3.45Å; W1368-F1370 VanDerWaalsContact C-N 3.32Å; W1368-F1370 PolarHBondContact O-N 3.09Å; F1370-I1374 HydrophobicContact CD1-CD1 4.36Å; F1370-P1375 WeakPolarHBondContact O-CD 3.26Å; F1370-P1375 VanDerWaalsContact O-CG 3.23Å; F1370-P1375 WeakPolarHBondContact O-CG 3.48Å; F1370-L1403 HydrophobicContact CE1-CD2 4.33Å; F1370-V1406 HydrophobicContact CD2-CG1 4.31Å; F1370-V1406 HydrophobicContact CE1-CG1 4.13Å; F1370-V1406 HydrophobicContact CE2-CG1 3.72Å; F1370-V1406 HydrophobicContact CZ-CB 4.03Å; F1370-V1406 HydrophobicContact CZ-CG1 3.62Å; F1370-L1407 HydrophobicContact CE2-CD1 4.42Å; F1370-L1407 HydrophobicContact CZ-CB 4.31Å |
| 1371 | Y | 89.2 | Confident | 87.5 | Confident | 127 Ų | 127 | 55.7 Ų | 55.7 | 50% | 0.498 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -87.6 | -14.1 | -179 | 72.8 | -105.4 | 0 | 0 | 0 | 113.9 | P1365 F1367 W1368 | P1365-Y1371 HydrophobicContact CB-CE1 4.34Å; P1365-Y1371 WeakPolarHBondContact CG-OH 3.39Å; F1367-Y1371 VanDerWaalsContact C-CE1 3.47Å; F1367-Y1371 HydrophobicContact CB-CD1 4.06Å; F1367-Y1371 HydrophobicContact CB-CE1 4.44Å; F1367-Y1371 WeakPolarHBondContact O-CD1 3.42Å; F1367-Y1371 PolarHBondContact O-N 3.39Å; F1367-Y1371 VanDerWaalsContact O-N 3.11Å; W1368-Y1371 HydrophobicContact CB-CE1 4.04Å; W1368-Y1371 AromaticContact CD1-CZ 3.83Å; W1368-Y1371 VanDerWaalsContact N-CE1 3.31Å |
| 1372 | S | 87.7 | Confident | 88.4 | Confident | 23 Ų | 23 | 51.2 Ų | 51.2 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -131.3 | -56.5 | -175.2 | -150.7 | 0 | 0 | 0 | 0 | 114.3 | W1368 R1376 | W1368-S1372 WeakPolarHBondContact O-CA 3.02Å; W1368-S1372 VanDerWaalsContact O-CB 3.28Å; W1368-S1372 WeakPolarHBondContact O-CB 3.44Å; W1368-S1372 PolarHBondContact O-N 3.42Å; S1372-R1376 VanDerWaalsContact O-CB 3.3Å; S1372-R1376 WeakPolarHBondContact O-CB 3.46Å; S1372-R1376 VanDerWaalsContact O-CG 3.23Å; S1372-R1376 WeakPolarHBondContact O-CG 3.16Å; S1372-R1376 PolarHBondContact O-N 2.95Å; S1372-R1376 VanDerWaalsContact O-N 3.08Å; S1372-R1376 PolarHBondContact O-NE 3.45Å; S1372-R1376 PolarHBondContact OG-NE 3.02Å; S1372-R1376 VanDerWaalsContact OG-NE 3.17Å; S1372-R1376 PolarHBondContact OG-NH2 3.08Å |
| 1373 | A | 88.4 | Confident | 88.9 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 2% | 0.017 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -70 | -50.2 | -170 | 0 | 0 | 0 | 0 | 0 | 113.3 | W1368 Y1369 R1376 N1377 L1417 I1420 | W1368-A1373 HydrophobicContact CE3-CB 3.97Å; W1368-A1373 HydrophobicContact CH2-CB 3.99Å; W1368-A1373 HydrophobicContact CZ3-CB 3.55Å; W1368-A1373 PolarHBondContact O-N 3.16Å; Y1369-A1373 HydrophobicContact CD1-CB 3.7Å; Y1369-A1373 HydrophobicContact CE1-CB 4.45Å; Y1369-A1373 PolarHBondContact O-N 3.3Å; A1373-R1376 PolarHBondContact O-N 2.82Å; A1373-N1377 PolarHBondContact O-N 3Å; A1373-L1417 HydrophobicContact CB-CD1 3.78Å; A1373-L1417 WeakPolarHBondContact O-CD1 3.34Å; A1373-I1420 HydrophobicContact CB-CD1 4.19Å |
| 1374 | I | 90.8 | Very high | 89.4 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.7 | -49.3 | 178.1 | -71 | 175.5 | 0 | 0 | 0 | 111.1 | Y1369 F1370 R1376 N1377 L1378 L1382 V1406 I1420 L1427 | Y1369-I1374 WeakPolarHBondContact O-CB 3.5Å; Y1369-I1374 WeakPolarHBondContact O-CG1 3.43Å; Y1369-I1374 PolarHBondContact O-N 2.82Å; F1370-I1374 HydrophobicContact CD1-CD1 4.36Å; I1374-R1376 VanDerWaalsContact C-N 3.29Å; I1374-R1376 PolarHBondContact O-N 3.43Å; I1374-N1377 PolarHBondContact O-N 2.89Å; I1374-L1378 HydrophobicContact CG2-CD1 3.71Å; I1374-L1378 HydrophobicContact CG2-CG 4.2Å; I1374-L1378 PolarHBondContact O-N 3.06Å; I1374-L1382 HydrophobicContact CG2-CD1 3.78Å; I1374-L1382 HydrophobicContact CG2-CD2 4.46Å; I1374-V1406 HydrophobicContact CD1-CB 4.43Å; I1374-V1406 HydrophobicContact CD1-CG1 3.83Å; I1374-V1406 HydrophobicContact CD1-CG2 4.06Å; I1374-I1420 HydrophobicContact CD1-CD1 4.41Å; I1374-I1420 HydrophobicContact CG1-CD1 3.8Å; I1374-L1427 HydrophobicContact CD1-CD1 4.49Å |
| 1375 | P | 89.1 | Confident | 89.7 | Confident | 38 Ų | 38 | 46 Ų | 46 | 25% | 0.247 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.1 | -40.4 | 175.6 | -28.2 | 35 | 0 | 0 | 0 | 113.5 | F1370 N1377 C1379 L1382 | F1370-P1375 WeakPolarHBondContact O-CD 3.26Å; F1370-P1375 VanDerWaalsContact O-CG 3.23Å; F1370-P1375 WeakPolarHBondContact O-CG 3.48Å; P1375-N1377 PolarHBondContact O-N 3.09Å; P1375-C1379 VanDerWaalsContact O-CA 3.3Å; P1375-C1379 WeakPolarHBondContact O-CA 3.34Å; P1375-C1379 PolarHBondContact O-N 3.2Å; P1375-L1382 HydrophobicContact CB-CD2 4.21Å; P1375-L1382 HydrophobicContact CG-CD2 3.85Å |
| 1376 | R | 84.3 | Confident | 89.8 | Confident | 126 Ų | 126 | 45.8 Ų | 45.8 | 48% | 0.475 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.8 | -25.8 | 176.4 | -80.1 | -170.4 | -104 | -179.4 | -7.8 | 113.8 | H1245 S1372 A1373 I1374 | H1245-R1376 PolarHBondContact CE1-O 3.29Å; H1245-R1376 VanDerWaalsContact CE1-O 3.29Å; H1245-R1376 PolarHBondContact ND1-O 2.88Å; S1372-R1376 VanDerWaalsContact O-CB 3.3Å; S1372-R1376 WeakPolarHBondContact O-CB 3.46Å; S1372-R1376 VanDerWaalsContact O-CG 3.23Å; S1372-R1376 WeakPolarHBondContact O-CG 3.16Å; S1372-R1376 PolarHBondContact O-N 2.95Å; S1372-R1376 VanDerWaalsContact O-N 3.08Å; S1372-R1376 PolarHBondContact O-NE 3.45Å; S1372-R1376 PolarHBondContact OG-NE 3.02Å; S1372-R1376 VanDerWaalsContact OG-NE 3.17Å; S1372-R1376 PolarHBondContact OG-NH2 3.08Å; A1373-R1376 PolarHBondContact O-N 2.82Å; I1374-R1376 VanDerWaalsContact C-N 3.29Å; I1374-R1376 PolarHBondContact O-N 3.43Å |
| 1377 | N | 86.4 | Confident | 89.8 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -93 | -48.6 | -178.4 | -162 | -34.4 | 0 | 0 | 0 | 112.1 | A1373 I1374 P1375 L1417 F1421 I1424 | A1373-N1377 PolarHBondContact O-N 3Å; I1374-N1377 PolarHBondContact O-N 2.89Å; P1375-N1377 PolarHBondContact O-N 3.09Å; N1377-L1417 HydrophobicContact CB-CD1 4.21Å; N1377-F1421 WeakPolarHBondContact ND2-CE2 3.23Å; N1377-I1424 HydrophobicContact CB-CD1 4.03Å |
| 1378 | L | 90.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -83.1 | -24.3 | -176.9 | -65.2 | -175.8 | 0 | 0 | 0 | 113.4 | Q1243 I1374 F1380 T1381 L1382 V1385 I1424 L1427 N1428 N1462 | Q1243-L1378 VanDerWaalsContact NE2-CD2 3.25Å; I1374-L1378 HydrophobicContact CG2-CD1 3.71Å; I1374-L1378 HydrophobicContact CG2-CG 4.2Å; I1374-L1378 PolarHBondContact O-N 3.06Å; L1378-F1380 PolarHBondContact O-N 3.1Å; L1378-T1381 WeakPolarHBondContact O-CA 3.47Å; L1378-T1381 WeakPolarHBondContact O-CB 3.43Å; L1378-T1381 PolarHBondContact O-N 3.14Å; L1378-T1381 PolarHBondContact O-OG1 3.2Å; L1378-L1382 HydrophobicContact CB-CB 4.08Å; L1378-L1382 HydrophobicContact CD1-CD1 4.14Å; L1378-V1385 HydrophobicContact CD1-CG2 4.17Å; L1378-I1424 HydrophobicContact CD2-CD1 4.33Å; L1378-I1424 HydrophobicContact CD2-CG2 4Å; L1378-I1424 HydrophobicContact CG-CD1 4.4Å; L1378-L1427 HydrophobicContact CD1-CB 3.88Å; L1378-L1427 HydrophobicContact CD1-CD1 3.83Å; L1378-L1427 HydrophobicContact CD1-CG 4.46Å; L1378-L1427 HydrophobicContact CD2-CB 4.41Å; L1378-N1428 VanDerWaalsContact CD2-OD1 3.26Å; L1378-N1428 WeakPolarHBondContact CD2-OD1 3.28Å; L1378-N1462 PolarHBondContact O-ND2 2.82Å |
| 1379 | C | 88.6 | Confident | 89.6 | Confident | 32 Ų | 32 | 43.7 Ų | 43.7 | 22% | 0.216 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | 47.5 | -124.5 | -175.4 | -62.5 | 0 | 0 | 0 | 0 | 111 | P1375 T1381 L1382 N1462 L1465 | P1375-C1379 VanDerWaalsContact O-CA 3.3Å; P1375-C1379 WeakPolarHBondContact O-CA 3.34Å; P1375-C1379 PolarHBondContact O-N 3.2Å; C1379-T1381 PolarHBondContact O-N 2.97Å; C1379-L1382 WeakPolarHBondContact O-CB 3.5Å; C1379-L1382 PolarHBondContact O-N 2.98Å; C1379-N1462 WeakPolarHBondContact CB-OD1 3.33Å; C1379-L1465 HydrophobicContact CB-CD1 4.04Å |
| 1380 | F | 88.5 | Confident | 89.3 | Confident | 93 Ų | 93 | 52.2 Ų | 52.2 | 41% | 0.408 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -66.2 | -20.3 | -179.6 | -100.8 | -96.3 | 0 | 0 | 0 | 113.8 | L1378 L1382 C1383 Q1458 I1461 N1462 | L1378-F1380 PolarHBondContact O-N 3.1Å; F1380-L1382 PolarHBondContact O-N 3.48Å; F1380-C1383 PolarHBondContact O-N 2.87Å; F1380-Q1458 HydrophobicContact CB-CB 4.48Å; F1380-Q1458 HydrophobicContact CB-CG 4.46Å; F1380-I1461 HydrophobicContact CD2-CB 4.45Å; F1380-I1461 HydrophobicContact CD2-CD1 4.26Å; F1380-I1461 HydrophobicContact CD2-CG2 3.69Å; F1380-I1461 HydrophobicContact CE1-CD1 4.42Å; F1380-I1461 HydrophobicContact CE2-CD1 4.13Å; F1380-I1461 HydrophobicContact CE2-CG2 4.05Å; F1380-I1461 HydrophobicContact CG-CD1 4.45Å; F1380-I1461 HydrophobicContact CG-CG2 4.43Å; F1380-I1461 HydrophobicContact CZ-CD1 4.21Å; F1380-N1462 PolarHBondContact N-OD1 3.07Å; F1380-N1462 VanDerWaalsContact N-OD1 3.12Å |
| 1381 | T | 91.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -62.5 | -26.6 | 176.3 | -54.9 | 0 | 0 | 0 | 0 | 112.7 | I1239 L1378 C1379 C1383 F1384 A1431 Q1458 N1462 | I1239-T1381 HydrophobicContact CD1-CG2 4.44Å; I1239-T1381 HydrophobicContact CG2-CG2 3.6Å; L1378-T1381 WeakPolarHBondContact O-CA 3.47Å; L1378-T1381 WeakPolarHBondContact O-CB 3.43Å; L1378-T1381 PolarHBondContact O-N 3.14Å; L1378-T1381 PolarHBondContact O-OG1 3.2Å; C1379-T1381 PolarHBondContact O-N 2.97Å; T1381-C1383 PolarHBondContact O-N 2.87Å; T1381-F1384 PolarHBondContact O-N 3.11Å; T1381-F1384 VanDerWaalsContact O-N 3.15Å; T1381-A1431 HydrophobicContact CG2-CB 3.36Å; T1381-Q1458 VanDerWaalsContact CA-OE1 3.28Å; T1381-N1462 PolarHBondContact OG1-ND2 3.46Å |
| 1382 | L | 90.8 | Very high | 88.7 | Confident | 59 Ų | 59 | 45.9 Ų | 45.9 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -58.4 | -35.6 | 179.6 | -179.1 | 57.9 | 0 | 0 | 0 | 112.4 | I1374 P1375 L1378 C1379 F1380 F1384 V1385 P1386 | I1374-L1382 HydrophobicContact CG2-CD1 3.78Å; I1374-L1382 HydrophobicContact CG2-CD2 4.46Å; P1375-L1382 HydrophobicContact CB-CD2 4.21Å; P1375-L1382 HydrophobicContact CG-CD2 3.85Å; L1378-L1382 HydrophobicContact CB-CB 4.08Å; L1378-L1382 HydrophobicContact CD1-CD1 4.14Å; C1379-L1382 WeakPolarHBondContact O-CB 3.5Å; C1379-L1382 PolarHBondContact O-N 2.98Å; F1380-L1382 PolarHBondContact O-N 3.48Å; L1382-F1384 PolarHBondContact O-N 3.41Å; L1382-F1384 VanDerWaalsContact O-N 3.11Å; L1382-V1385 PolarHBondContact O-N 3.45Å; L1382-P1386 WeakPolarHBondContact O-CD 3.37Å |
| 1383 | C | 88.5 | Confident | 88.5 | Confident | 79 Ų | 79 | 49.2 Ų | 49.2 | 53% | 0.534 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -60.8 | -23.5 | -178.7 | -61.4 | 0 | 0 | 0 | 0 | 113.2 | F1380 T1381 F1387 | F1380-C1383 PolarHBondContact O-N 2.87Å; T1381-C1383 PolarHBondContact O-N 2.87Å; C1383-F1387 WeakPolarHBondContact O-CD2 3.26Å; C1383-F1387 VanDerWaalsContact O-CE2 3.25Å; C1383-F1387 WeakPolarHBondContact O-CE2 3.23Å |
| 1384 | F | 91.3 | Very high | 88.3 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -90.2 | -22 | -177.3 | -70.9 | -101.2 | 0 | 0 | 0 | 113.1 | T1381 L1382 F1387 A1431 V1434 M1438 L1454 S1455 Q1458 | T1381-F1384 PolarHBondContact O-N 3.11Å; T1381-F1384 VanDerWaalsContact O-N 3.15Å; L1382-F1384 PolarHBondContact O-N 3.41Å; L1382-F1384 VanDerWaalsContact O-N 3.11Å; F1384-F1387 PolarHBondContact O-N 3.37Å; F1384-A1431 HydrophobicContact CB-CB 3.8Å; F1384-V1434 HydrophobicContact CB-CB 4.47Å; F1384-V1434 HydrophobicContact CB-CG1 4.48Å; F1384-V1434 HydrophobicContact CD1-CB 4.33Å; F1384-V1434 HydrophobicContact CD1-CG1 3.82Å; F1384-M1438 HydrophobicContact CD1-SD 4.3Å; F1384-M1438 HydrophobicContact CE1-SD 3.73Å; F1384-L1454 HydrophobicContact CZ-CB 3.9Å; F1384-S1455 WeakPolarHBondContact CE1-OG 3.45Å; F1384-Q1458 HydrophobicContact CE2-CB 4.3Å |
| 1385 | V | 91.7 | Very high | 88.3 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -45.5 | -174.5 | 174.4 | 0 | 0 | 0 | 0 | 113.1 | L1378 L1382 F1387 A1388 T1399 L1427 | L1378-V1385 HydrophobicContact CD1-CG2 4.17Å; L1382-V1385 PolarHBondContact O-N 3.45Å; V1385-F1387 VanDerWaalsContact C-N 3.25Å; V1385-F1387 PolarHBondContact O-N 3.23Å; V1385-A1388 VanDerWaalsContact O-CB 3.27Å; V1385-A1388 WeakPolarHBondContact O-CB 3.05Å; V1385-A1388 PolarHBondContact O-N 2.93Å; V1385-A1388 VanDerWaalsContact O-N 3.11Å; V1385-T1399 HydrophobicContact CG1-CG2 4.01Å; V1385-L1427 HydrophobicContact CG1-CD2 3.75Å; V1385-L1427 HydrophobicContact CG2-CB 4.27Å |
| 1386 | P | 90.7 | Very high | 88.4 | Confident | 70 Ų | 70 | 57.1 Ų | 57.1 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -59.6 | -35.4 | -178.6 | -25.7 | 35.8 | 0 | 0 | 0 | 113.2 | L1382 A1388 L1389 | L1382-P1386 WeakPolarHBondContact O-CD 3.37Å; P1386-A1388 PolarHBondContact O-N 3.4Å; P1386-L1389 VanDerWaalsContact O-CB 3.31Å; P1386-L1389 WeakPolarHBondContact O-CB 3.48Å; P1386-L1389 WeakPolarHBondContact O-CG 3.4Å; P1386-L1389 PolarHBondContact O-N 2.9Å; P1386-L1389 VanDerWaalsContact O-N 3.09Å |
| 1387 | F | 89.7 | Confident | 88.5 | Confident | 115 Ų | 115 | 54.6 Ų | 54.6 | 50% | 0.504 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -66.6 | -22.3 | -179.2 | -62.6 | -75.5 | 0 | 0 | 0 | 113.1 | C1383 F1384 V1385 L1389 F1390 V1434 | C1383-F1387 WeakPolarHBondContact O-CD2 3.26Å; C1383-F1387 VanDerWaalsContact O-CE2 3.25Å; C1383-F1387 WeakPolarHBondContact O-CE2 3.23Å; F1384-F1387 PolarHBondContact O-N 3.37Å; V1385-F1387 VanDerWaalsContact C-N 3.25Å; V1385-F1387 PolarHBondContact O-N 3.23Å; F1387-L1389 PolarHBondContact O-N 3.25Å; F1387-F1390 PolarHBondContact O-N 3.26Å; F1387-V1434 HydrophobicContact CB-CG1 3.81Å; F1387-V1434 HydrophobicContact CB-CG2 3.85Å |
| 1388 | A | 89.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -68.1 | -17.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1385 P1386 F1390 G1391 I1395 A1430 V1434 | V1385-A1388 VanDerWaalsContact O-CB 3.27Å; V1385-A1388 WeakPolarHBondContact O-CB 3.05Å; V1385-A1388 PolarHBondContact O-N 2.93Å; V1385-A1388 VanDerWaalsContact O-N 3.11Å; P1386-A1388 PolarHBondContact O-N 3.4Å; A1388-F1390 PolarHBondContact O-N 2.97Å; A1388-G1391 WeakPolarHBondContact O-CA 3.44Å; A1388-G1391 PolarHBondContact O-N 2.99Å; A1388-I1395 HydrophobicContact CB-CG2 3.81Å; A1388-A1430 HydrophobicContact CB-CB 3.56Å; A1388-V1434 HydrophobicContact CB-CG2 3.91Å |
| 1389 | L | 89.5 | Confident | 88.8 | Confident | 64 Ų | 64 | 54.8 Ų | 54.8 | 34% | 0.335 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -68.3 | -21.3 | 174.4 | -63 | 174.8 | 0 | 0 | 0 | 112.6 | P1386 F1387 G1391 R1396 T1399 V1400 | P1386-L1389 VanDerWaalsContact O-CB 3.31Å; P1386-L1389 WeakPolarHBondContact O-CB 3.48Å; P1386-L1389 WeakPolarHBondContact O-CG 3.4Å; P1386-L1389 PolarHBondContact O-N 2.9Å; P1386-L1389 VanDerWaalsContact O-N 3.09Å; F1387-L1389 PolarHBondContact O-N 3.25Å; L1389-G1391 VanDerWaalsContact C-N 3.29Å; L1389-R1396 HydrophobicContact CD2-CG 4.48Å; L1389-R1396 WeakPolarHBondContact O-CD 3.33Å; L1389-T1399 HydrophobicContact CD2-CG2 3.98Å; L1389-V1400 HydrophobicContact CD2-CG2 3.84Å |
| 1390 | F | 86.3 | Confident | 89 | Confident | 178 Ų | 178 | 57 Ų | 57 | 78% | 0.781 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -89.4 | 2.1 | 170.7 | -54 | -74.6 | 0 | 0 | 0 | 112.6 | F1387 A1388 | F1387-F1390 PolarHBondContact O-N 3.26Å; A1388-F1390 PolarHBondContact O-N 2.97Å |
| 1391 | G | 83.8 | Confident | 89.1 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 8% | 0.082 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -81.1 | -178.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A1388 L1389 W1433 | A1388-G1391 WeakPolarHBondContact O-CA 3.44Å; A1388-G1391 PolarHBondContact O-N 2.99Å; L1389-G1391 VanDerWaalsContact C-N 3.29Å; G1391-W1433 VanDerWaalsContact CA-CH2 3.41Å; G1391-W1433 VanDerWaalsContact CA-CZ3 3.43Å |
| 1392 | P | 84.4 | Confident | 89.1 | Confident | 52 Ų | 52 | 52.8 Ų | 52.8 | 34% | 0.338 | 26% | 0.263 | S | S | . | . | trans | -60.1 | 152.1 | 178.6 | 23.9 | -33 | 0 | 0 | 0 | 111 | F1228 K1394 I1395 R1396 W1433 | F1228-P1392 HydrophobicContact CE1-CG 4.26Å; P1392-K1394 PolarHBondContact O-N 3.38Å; P1392-I1395 HydrophobicContact CG-CB 4.29Å; P1392-I1395 HydrophobicContact CG-CG1 4.12Å; P1392-I1395 PolarHBondContact O-N 3.18Å; P1392-R1396 PolarHBondContact O-N 3.12Å; P1392-W1433 HydrophobicContact CG-CD2 4.47Å; P1392-W1433 HydrophobicContact CG-CZ2 4.04Å | ||
| 1393 | E | 83.2 | Confident | 89.2 | Confident | 93 Ų | 93 | 52.6 Ų | 52.6 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -51.9 | -39.2 | -170.1 | -172.7 | 179.2 | -148.8 | 0 | 0 | 113.6 | R1397 | E1393-R1397 VanDerWaalsContact CD-CZ 3.41Å; E1393-R1397 HydrophobicContact CG-CG 4.27Å; E1393-R1397 VanDerWaalsContact O-CB 3.3Å; E1393-R1397 WeakPolarHBondContact O-CB 3.27Å; E1393-R1397 WeakPolarHBondContact O-CG 3.25Å; E1393-R1397 PolarHBondContact O-N 2.98Å; E1393-R1397 IonicContact OE1-CZ 3.44Å; E1393-R1397 VanDerWaalsContact OE1-CZ 3.29Å; E1393-R1397 IonicContact OE1-NE 2.56Å; E1393-R1397 PolarHBondContact OE1-NE 2.96Å; E1393-R1397 IonicContact OE1-NH2 3.04Å; E1393-R1397 PolarHBondContact OE1-NH2 3.13Å; E1393-R1397 IonicContact OE2-CZ 3.19Å; E1393-R1397 IonicContact OE2-NH2 3.54Å; E1393-R1397 PolarHBondContact OE2-NH2 3.11Å |
| 1394 | K | 85.8 | Confident | 89.4 | Confident | 97 Ų | 97 | 49.9 Ų | 49.9 | 42% | 0.422 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62 | -46 | 177.1 | -71.4 | -173.1 | 180 | -177.6 | 0 | 112.9 | F1228 P1392 L1398 | F1228-K1394 HydrophobicContact CE1-CB 4.08Å; F1228-K1394 HydrophobicContact CZ-CB 3.83Å; F1228-K1394 HydrophobicContact CZ-CD 4.48Å; P1392-K1394 PolarHBondContact O-N 3.38Å; K1394-L1398 WeakPolarHBondContact O-CG 3.33Å; K1394-L1398 PolarHBondContact O-N 3.36Å |
| 1395 | I | 89.6 | Confident | 89.4 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.6 | -51.9 | 178.4 | -71.7 | -64.6 | 0 | 0 | 0 | 109.5 | F1228 A1388 P1392 R1397 L1398 T1399 W1433 | F1228-I1395 HydrophobicContact CD1-CG1 4.33Å; F1228-I1395 HydrophobicContact CD2-CD1 4.31Å; F1228-I1395 HydrophobicContact CE1-CD1 4.03Å; F1228-I1395 HydrophobicContact CE1-CG1 3.59Å; F1228-I1395 HydrophobicContact CE2-CD1 3.6Å; F1228-I1395 HydrophobicContact CE2-CG1 4.14Å; F1228-I1395 HydrophobicContact CZ-CD1 3.43Å; F1228-I1395 VanDerWaalsContact CZ-CD1 3.43Å; F1228-I1395 HydrophobicContact CZ-CG1 3.48Å; F1228-I1395 VanDerWaalsContact CZ-CG1 3.48Å; A1388-I1395 HydrophobicContact CB-CG2 3.81Å; P1392-I1395 HydrophobicContact CG-CB 4.29Å; P1392-I1395 HydrophobicContact CG-CG1 4.12Å; P1392-I1395 PolarHBondContact O-N 3.18Å; I1395-R1397 VanDerWaalsContact C-N 3.28Å; I1395-R1397 PolarHBondContact O-N 2.88Å; I1395-L1398 PolarHBondContact O-N 2.84Å; I1395-T1399 PolarHBondContact O-N 3.09Å; I1395-T1399 PolarHBondContact O-OG1 3.27Å; I1395-W1433 HydrophobicContact CD1-CB 3.97Å; I1395-W1433 HydrophobicContact CD1-CG 4.33Å; I1395-W1433 HydrophobicContact CG1-CB 4Å; I1395-W1433 HydrophobicContact CG1-CD2 4.45Å; I1395-W1433 HydrophobicContact CG1-CG 3.83Å; I1395-W1433 HydrophobicContact CG2-CB 4.38Å; I1395-W1433 HydrophobicContact CG2-CG 4.48Å |
| 1396 | R | 90.8 | Very high | 89.5 | Confident | 112 Ų | 112 | 49 Ų | 49 | 42% | 0.423 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -53.3 | -45.3 | 179.9 | -177 | 173.5 | 71.2 | -162.5 | 0.3 | 112 | L1389 P1392 T1399 V1400 | L1389-R1396 HydrophobicContact CD2-CG 4.48Å; L1389-R1396 WeakPolarHBondContact O-CD 3.33Å; P1392-R1396 PolarHBondContact O-N 3.12Å; R1396-T1399 PolarHBondContact O-N 3.36Å; R1396-V1400 WeakPolarHBondContact O-CB 3.35Å; R1396-V1400 VanDerWaalsContact O-CG2 3.28Å; R1396-V1400 WeakPolarHBondContact O-CG2 3.27Å; R1396-V1400 PolarHBondContact O-N 2.7Å |
| 1397 | R | 87.5 | Confident | 89.5 | Confident | 72 Ų | 72 | 49.4 Ų | 49.4 | 27% | 0.272 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 177.8 | -76.8 | 177.3 | -174.6 | 177 | 7.5 | 112.7 | E1393 I1395 V1400 C1401 | E1393-R1397 VanDerWaalsContact CD-CZ 3.41Å; E1393-R1397 HydrophobicContact CG-CG 4.27Å; E1393-R1397 VanDerWaalsContact O-CB 3.3Å; E1393-R1397 WeakPolarHBondContact O-CB 3.27Å; E1393-R1397 WeakPolarHBondContact O-CG 3.25Å; E1393-R1397 PolarHBondContact O-N 2.98Å; E1393-R1397 IonicContact OE1-CZ 3.44Å; E1393-R1397 VanDerWaalsContact OE1-CZ 3.29Å; E1393-R1397 IonicContact OE1-NE 2.56Å; E1393-R1397 PolarHBondContact OE1-NE 2.96Å; E1393-R1397 IonicContact OE1-NH2 3.04Å; E1393-R1397 PolarHBondContact OE1-NH2 3.13Å; E1393-R1397 IonicContact OE2-CZ 3.19Å; E1393-R1397 IonicContact OE2-NH2 3.54Å; E1393-R1397 PolarHBondContact OE2-NH2 3.11Å; I1395-R1397 VanDerWaalsContact C-N 3.28Å; I1395-R1397 PolarHBondContact O-N 2.88Å; R1397-V1400 PolarHBondContact O-N 3.28Å; R1397-C1401 VanDerWaalsContact O-CB 3.26Å; R1397-C1401 WeakPolarHBondContact O-CB 3.38Å; R1397-C1401 PolarHBondContact O-N 2.97Å |
| 1398 | L | 90.7 | Very high | 89.6 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.4 | -35.8 | 179.3 | -69 | 175.9 | 0 | 0 | 0 | 111.9 | Y1270 L1271 M1300 K1394 I1395 C1401 A1402 L1426 M1429 | Y1270-L1398 HydrophobicContact CD1-CD2 4.35Å; Y1270-L1398 HydrophobicContact CE1-CD2 4.13Å; L1271-L1398 HydrophobicContact CD2-CD1 3.97Å; M1300-L1398 HydrophobicContact CG-CD2 4.37Å; M1300-L1398 HydrophobicContact SD-CD2 4.37Å; K1394-L1398 WeakPolarHBondContact O-CG 3.33Å; K1394-L1398 PolarHBondContact O-N 3.36Å; I1395-L1398 PolarHBondContact O-N 2.84Å; L1398-C1401 WeakPolarHBondContact O-CB 3.4Å; L1398-C1401 PolarHBondContact O-N 3.49Å; L1398-A1402 WeakPolarHBondContact O-CB 3.26Å; L1398-A1402 PolarHBondContact O-N 3.22Å; L1398-L1426 HydrophobicContact CB-CD2 4.41Å; L1398-L1426 HydrophobicContact CD2-CD2 4.26Å; L1398-M1429 HydrophobicContact CD1-CE 3.36Å |
| 1399 | T | 92.5 | Very high | 89.4 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.8 | -48.5 | 172.5 | -50.8 | 0 | 0 | 0 | 0 | 111.2 | V1385 L1389 I1395 R1396 C1401 A1402 L1403 A1430 | V1385-T1399 HydrophobicContact CG1-CG2 4.01Å; L1389-T1399 HydrophobicContact CD2-CG2 3.98Å; I1395-T1399 PolarHBondContact O-N 3.09Å; I1395-T1399 PolarHBondContact O-OG1 3.27Å; R1396-T1399 PolarHBondContact O-N 3.36Å; T1399-C1401 VanDerWaalsContact C-N 3.29Å; T1399-C1401 PolarHBondContact O-N 3.25Å; T1399-A1402 PolarHBondContact O-N 2.71Å; T1399-L1403 HydrophobicContact CG2-CD1 4.16Å; T1399-L1403 WeakPolarHBondContact O-CG 3.24Å; T1399-L1403 PolarHBondContact O-N 3.14Å; T1399-A1430 HydrophobicContact CG2-CB 4.1Å; T1399-A1430 VanDerWaalsContact OG1-CB 3.26Å; T1399-A1430 WeakPolarHBondContact OG1-CB 3.34Å |
| 1400 | V | 91.5 | Very high | 89.4 | Confident | 79 Ų | 79 | 45.3 Ų | 45.3 | 48% | 0.479 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.2 | -38.7 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L1389 R1396 R1397 L1403 G1404 | L1389-V1400 HydrophobicContact CD2-CG2 3.84Å; R1396-V1400 WeakPolarHBondContact O-CB 3.35Å; R1396-V1400 VanDerWaalsContact O-CG2 3.28Å; R1396-V1400 WeakPolarHBondContact O-CG2 3.27Å; R1396-V1400 PolarHBondContact O-N 2.7Å; R1397-V1400 PolarHBondContact O-N 3.28Å; V1400-L1403 PolarHBondContact O-N 2.96Å; V1400-G1404 PolarHBondContact O-N 2.69Å |
| 1401 | C | 90.7 | Very high | 89.5 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.027 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.6 | -47.7 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 111.9 | L1296 I1299 R1397 L1398 T1399 G1404 Y1405 | L1296-C1401 WeakPolarHBondContact CD1-SG 3.38Å; I1299-C1401 HydrophobicContact CG2-CB 4.08Å; R1397-C1401 VanDerWaalsContact O-CB 3.26Å; R1397-C1401 WeakPolarHBondContact O-CB 3.38Å; R1397-C1401 PolarHBondContact O-N 2.97Å; L1398-C1401 WeakPolarHBondContact O-CB 3.4Å; L1398-C1401 PolarHBondContact O-N 3.49Å; T1399-C1401 VanDerWaalsContact C-N 3.29Å; T1399-C1401 PolarHBondContact O-N 3.25Å; C1401-G1404 PolarHBondContact O-N 3.11Å; C1401-Y1405 WeakPolarHBondContact O-CB 3.43Å; C1401-Y1405 PolarHBondContact O-N 3.32Å |
| 1402 | A | 92.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62 | -46.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1398 T1399 Y1405 V1406 A1423 L1426 L1427 | L1398-A1402 WeakPolarHBondContact O-CB 3.26Å; L1398-A1402 PolarHBondContact O-N 3.22Å; T1399-A1402 PolarHBondContact O-N 2.71Å; A1402-Y1405 PolarHBondContact O-N 3.38Å; A1402-V1406 VanDerWaalsContact O-CG2 3.31Å; A1402-V1406 WeakPolarHBondContact O-CG2 3.29Å; A1402-V1406 PolarHBondContact O-N 3.34Å; A1402-V1406 VanDerWaalsContact O-N 3.16Å; A1402-A1423 HydrophobicContact CB-CB 4.12Å; A1402-L1426 HydrophobicContact CB-CB 3.75Å; A1402-L1426 HydrophobicContact CB-CD1 3.96Å; A1402-L1427 HydrophobicContact CB-CD2 3.81Å; A1402-L1427 HydrophobicContact CB-CG 4.05Å |
| 1403 | L | 92.8 | Very high | 89.2 | Confident | 55 Ų | 55 | 45.5 Ų | 45.5 | 29% | 0.288 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.1 | -40.9 | 179.4 | -66.7 | 174 | 0 | 0 | 0 | 112.2 | F1370 T1399 V1400 V1406 L1407 L1427 | F1370-L1403 HydrophobicContact CE1-CD2 4.33Å; T1399-L1403 HydrophobicContact CG2-CD1 4.16Å; T1399-L1403 WeakPolarHBondContact O-CG 3.24Å; T1399-L1403 PolarHBondContact O-N 3.14Å; V1400-L1403 PolarHBondContact O-N 2.96Å; L1403-V1406 PolarHBondContact O-N 3.01Å; L1403-L1407 WeakPolarHBondContact O-CB 3.39Å; L1403-L1407 PolarHBondContact O-N 3.09Å; L1403-L1427 HydrophobicContact CD2-CD2 4.23Å; L1403-L1427 HydrophobicContact CG-CD2 4.43Å |
| 1404 | G | 91.9 | Very high | 89.2 | Confident | 22 Ų | 22 | 42.7 Ų | 42.7 | 23% | 0.227 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.5 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1400 C1401 L1407 I1408 | V1400-G1404 PolarHBondContact O-N 2.69Å; C1401-G1404 PolarHBondContact O-N 3.11Å; G1404-L1407 PolarHBondContact O-N 3.44Å; G1404-I1408 WeakPolarHBondContact O-CG1 3.01Å; G1404-I1408 PolarHBondContact O-N 3.16Å |
| 1405 | Y | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -45.8 | 174.4 | 175 | -109 | 0 | 0 | 0 | 112.4 | I1295 L1296 C1401 A1402 L1407 I1408 Y1409 F1419 Y1422 A1423 | I1295-Y1405 HydrophobicContact CB-CD2 4.28Å; I1295-Y1405 HydrophobicContact CB-CE2 4.37Å; I1295-Y1405 HydrophobicContact CG2-CD2 4.13Å; L1296-Y1405 HydrophobicContact CB-CD2 3.62Å; L1296-Y1405 HydrophobicContact CB-CE2 3.93Å; L1296-Y1405 HydrophobicContact CB-CG 4.06Å; L1296-Y1405 HydrophobicContact CD1-CD1 4.3Å; L1296-Y1405 HydrophobicContact CD1-CD2 4.23Å; L1296-Y1405 HydrophobicContact CD1-CG 3.79Å; L1296-Y1405 HydrophobicContact CG-CD2 4.41Å; L1296-Y1405 HydrophobicContact CG-CG 4.36Å; C1401-Y1405 WeakPolarHBondContact O-CB 3.43Å; C1401-Y1405 PolarHBondContact O-N 3.32Å; A1402-Y1405 PolarHBondContact O-N 3.38Å; Y1405-L1407 VanDerWaalsContact C-N 3.33Å; Y1405-L1407 PolarHBondContact O-N 3.34Å; Y1405-I1408 PolarHBondContact O-N 2.93Å; Y1405-Y1409 HydrophobicContact CD2-CD2 4.08Å; Y1405-Y1409 HydrophobicContact CD2-CE2 4.24Å; Y1405-Y1409 HydrophobicContact CE1-CD2 4.14Å; Y1405-Y1409 HydrophobicContact CE1-CE2 4.3Å; Y1405-Y1409 AromaticContact CE2-CD2 3.6Å; Y1405-Y1409 HydrophobicContact CE2-CD2 3.6Å; Y1405-Y1409 AromaticContact CE2-CE2 3.35Å; Y1405-Y1409 HydrophobicContact CE2-CE2 3.35Å; Y1405-Y1409 AromaticContact CZ-CD2 3.59Å; Y1405-Y1409 AromaticContact CZ-CE2 3.35Å; Y1405-Y1409 PolarHBondContact O-N 2.77Å; Y1405-Y1409 VanDerWaalsContact O-N 3.09Å; Y1405-Y1409 WeakPolarHBondContact OH-CE2 3.14Å; Y1405-F1419 PolarHBondContact OH-O 2.91Å; Y1405-Y1422 HydrophobicContact CE1-CD2 4.17Å; Y1405-Y1422 WeakPolarHBondContact OH-CD2 3.37Å; Y1405-A1423 HydrophobicContact CD1-CB 4.39Å |
| 1406 | V | 92.1 | Very high | 89 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -41.1 | 176.7 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | Y1369 F1370 I1374 A1402 L1403 I1408 Y1409 S1410 I1420 A1423 | Y1369-V1406 HydrophobicContact CG-CG1 4.27Å; F1370-V1406 HydrophobicContact CD2-CG1 4.31Å; F1370-V1406 HydrophobicContact CE1-CG1 4.13Å; F1370-V1406 HydrophobicContact CE2-CG1 3.72Å; F1370-V1406 HydrophobicContact CZ-CB 4.03Å; F1370-V1406 HydrophobicContact CZ-CG1 3.62Å; I1374-V1406 HydrophobicContact CD1-CB 4.43Å; I1374-V1406 HydrophobicContact CD1-CG1 3.83Å; I1374-V1406 HydrophobicContact CD1-CG2 4.06Å; A1402-V1406 VanDerWaalsContact O-CG2 3.31Å; A1402-V1406 WeakPolarHBondContact O-CG2 3.29Å; A1402-V1406 PolarHBondContact O-N 3.34Å; A1402-V1406 VanDerWaalsContact O-N 3.16Å; L1403-V1406 PolarHBondContact O-N 3.01Å; V1406-I1408 PolarHBondContact O-N 3.12Å; V1406-Y1409 CarbonylContact O-C 3.59Å; V1406-Y1409 WeakPolarHBondContact O-CB 3.19Å; V1406-Y1409 PolarHBondContact O-N 3.18Å; V1406-S1410 PolarHBondContact O-N 2.78Å; V1406-I1420 HydrophobicContact CG1-CD1 4.41Å; V1406-I1420 HydrophobicContact CG1-CG2 4.44Å; V1406-I1420 HydrophobicContact CG2-CB 4.18Å; V1406-I1420 HydrophobicContact CG2-CD1 4.41Å; V1406-I1420 HydrophobicContact CG2-CG2 4.29Å; V1406-A1423 HydrophobicContact CG2-CB 3.8Å |
| 1407 | L | 92.6 | Very high | 88.7 | Confident | 77 Ų | 77 | 36.2 Ų | 36.2 | 40% | 0.403 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62 | -41.4 | 178.7 | -178.1 | 65.9 | 0 | 0 | 0 | 112.3 | F1366 F1370 L1403 G1404 Y1405 Y1409 S1410 F1411 | F1366-L1407 HydrophobicContact CE1-CD1 4.19Å; F1366-L1407 HydrophobicContact CZ-CD1 4.12Å; F1370-L1407 HydrophobicContact CE2-CD1 4.42Å; F1370-L1407 HydrophobicContact CZ-CB 4.31Å; L1403-L1407 WeakPolarHBondContact O-CB 3.39Å; L1403-L1407 PolarHBondContact O-N 3.09Å; G1404-L1407 PolarHBondContact O-N 3.44Å; Y1405-L1407 VanDerWaalsContact C-N 3.33Å; Y1405-L1407 PolarHBondContact O-N 3.34Å; L1407-Y1409 VanDerWaalsContact C-N 3.31Å; L1407-S1410 VanDerWaalsContact O-CB 3.32Å; L1407-S1410 WeakPolarHBondContact O-CB 2.96Å; L1407-S1410 PolarHBondContact O-N 3.36Å; L1407-F1411 WeakPolarHBondContact O-CD2 3.23Å |
| 1408 | I | 90.4 | Very high | 88.5 | Confident | 75 Ų | 75 | 34.6 Ų | 34.6 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.5 | -41.5 | 175.3 | -67.3 | 168.4 | 0 | 0 | 0 | 110.1 | I1295 I1299 G1404 Y1405 V1406 S1410 F1411 | I1295-I1408 HydrophobicContact CD1-CG2 4.29Å; I1295-I1408 HydrophobicContact CG2-CB 4.49Å; I1295-I1408 HydrophobicContact CG2-CD1 3.64Å; I1295-I1408 HydrophobicContact CG2-CG2 4.18Å; I1299-I1408 HydrophobicContact CD1-CD1 3.81Å; G1404-I1408 WeakPolarHBondContact O-CG1 3.01Å; G1404-I1408 PolarHBondContact O-N 3.16Å; Y1405-I1408 PolarHBondContact O-N 2.93Å; V1406-I1408 PolarHBondContact O-N 3.12Å; I1408-S1410 PolarHBondContact O-N 3.05Å; I1408-F1411 WeakPolarHBondContact O-CB 3.18Å; I1408-F1411 WeakPolarHBondContact O-CD2 3.27Å; I1408-F1411 PolarHBondContact O-N 3.38Å |
| 1409 | Y | 86.4 | Confident | 88.3 | Confident | 18 Ų | 18 | 35.8 Ų | 35.8 | 7% | 0.071 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.2 | -26.7 | 176.4 | -103.8 | -87.8 | 0 | 0 | 0 | 114 | E1292 I1295 Y1405 V1406 L1407 F1411 L1412 F1419 I1420 | E1292-Y1409 HydrophobicContact CB-CE2 4.24Å; E1292-Y1409 WeakPolarHBondContact CB-OH 3.46Å; E1292-Y1409 WeakPolarHBondContact CG-OH 3.12Å; I1295-Y1409 HydrophobicContact CD1-CE2 4.47Å; Y1405-Y1409 HydrophobicContact CD2-CD2 4.08Å; Y1405-Y1409 HydrophobicContact CD2-CE2 4.24Å; Y1405-Y1409 HydrophobicContact CE1-CD2 4.14Å; Y1405-Y1409 HydrophobicContact CE1-CE2 4.3Å; Y1405-Y1409 AromaticContact CE2-CD2 3.6Å; Y1405-Y1409 HydrophobicContact CE2-CD2 3.6Å; Y1405-Y1409 AromaticContact CE2-CE2 3.35Å; Y1405-Y1409 HydrophobicContact CE2-CE2 3.35Å; Y1405-Y1409 AromaticContact CZ-CD2 3.59Å; Y1405-Y1409 AromaticContact CZ-CE2 3.35Å; Y1405-Y1409 PolarHBondContact O-N 2.77Å; Y1405-Y1409 VanDerWaalsContact O-N 3.09Å; Y1405-Y1409 WeakPolarHBondContact OH-CE2 3.14Å; V1406-Y1409 CarbonylContact O-C 3.59Å; V1406-Y1409 WeakPolarHBondContact O-CB 3.19Å; V1406-Y1409 PolarHBondContact O-N 3.18Å; L1407-Y1409 VanDerWaalsContact C-N 3.31Å; Y1409-F1411 PolarHBondContact O-N 3.15Å; Y1409-L1412 HydrophobicContact CD1-CD1 3.55Å; Y1409-L1412 HydrophobicContact CE1-CD1 3.46Å; Y1409-L1412 VanDerWaalsContact CE1-CD1 3.46Å; Y1409-L1412 HydrophobicContact CG-CD1 4.49Å; Y1409-L1412 PolarHBondContact O-N 3.24Å; Y1409-L1412 VanDerWaalsContact O-N 3.11Å; Y1409-F1419 HydrophobicContact CD1-CB 3.9Å; Y1409-F1419 HydrophobicContact CE1-CB 3.57Å; Y1409-F1419 HydrophobicContact CE1-CD2 4.44Å; Y1409-F1419 HydrophobicContact CE1-CG 4.23Å; Y1409-I1420 HydrophobicContact CD1-CG2 4.43Å; Y1409-I1420 HydrophobicContact CG-CG2 4.12Å |
| 1410 | S | 89.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -19.4 | 176.3 | -93.5 | 0 | 0 | 0 | 0 | 114.1 | F1366 V1406 L1407 I1408 L1412 K1415 | F1366-S1410 WeakPolarHBondContact CD2-O 3.35Å; F1366-S1410 WeakPolarHBondContact O-CB 3.49Å; F1366-S1410 PolarHBondContact O-OG 3.05Å; V1406-S1410 PolarHBondContact O-N 2.78Å; L1407-S1410 VanDerWaalsContact O-CB 3.32Å; L1407-S1410 WeakPolarHBondContact O-CB 2.96Å; L1407-S1410 PolarHBondContact O-N 3.36Å; I1408-S1410 PolarHBondContact O-N 3.05Å; S1410-L1412 VanDerWaalsContact C-N 3.3Å; S1410-L1412 PolarHBondContact O-N 3.31Å; S1410-K1415 WeakPolarHBondContact O-CE 3.36Å; S1410-K1415 PolarHBondContact O-NZ 3.31Å |
| 1411 | F | 87.4 | Confident | 87.9 | Confident | 151 Ų | 151 | 32.1 Ų | 32.1 | 66% | 0.662 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -19.1 | 174.5 | -74.5 | -87.2 | 0 | 0 | 0 | 113.9 | F1366 L1407 I1408 Y1409 | F1366-F1411 HydrophobicContact CE2-CB 4.42Å; F1366-F1411 AromaticContact CE2-CD1 3.74Å; F1366-F1411 HydrophobicContact CE2-CD1 3.74Å; F1366-F1411 AromaticContact CE2-CD2 3.71Å; F1366-F1411 HydrophobicContact CE2-CD2 3.71Å; F1366-F1411 AromaticContact CE2-CE1 3.78Å; F1366-F1411 HydrophobicContact CE2-CE1 3.78Å; F1366-F1411 AromaticContact CE2-CE2 3.75Å; F1366-F1411 HydrophobicContact CE2-CE2 3.75Å; F1366-F1411 AromaticContact CE2-CG 3.71Å; F1366-F1411 HydrophobicContact CE2-CG 3.71Å; F1366-F1411 AromaticContact CE2-CZ 3.79Å; F1366-F1411 HydrophobicContact CE2-CZ 3.79Å; F1366-F1411 HydrophobicContact CZ-CD2 4.12Å; F1366-F1411 HydrophobicContact CZ-CE1 4.32Å; F1366-F1411 AromaticContact CZ-CE2 3.78Å; F1366-F1411 HydrophobicContact CZ-CE2 3.78Å; F1366-F1411 AromaticContact CZ-CZ 3.89Å; F1366-F1411 HydrophobicContact CZ-CZ 3.89Å; L1407-F1411 WeakPolarHBondContact O-CD2 3.23Å; I1408-F1411 WeakPolarHBondContact O-CB 3.18Å; I1408-F1411 WeakPolarHBondContact O-CD2 3.27Å; I1408-F1411 PolarHBondContact O-N 3.38Å; Y1409-F1411 PolarHBondContact O-N 3.15Å |
| 1412 | L | 82 | Confident | 88 | Confident | 56 Ų | 56 | 31.9 Ų | 31.9 | 29% | 0.293 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -69.9 | 136 | -179.9 | -73.9 | 169.1 | 0 | 0 | 0 | 111 | Y1409 S1410 K1415 | Y1409-L1412 HydrophobicContact CD1-CD1 3.55Å; Y1409-L1412 HydrophobicContact CE1-CD1 3.46Å; Y1409-L1412 VanDerWaalsContact CE1-CD1 3.46Å; Y1409-L1412 HydrophobicContact CG-CD1 4.49Å; Y1409-L1412 PolarHBondContact O-N 3.24Å; Y1409-L1412 VanDerWaalsContact O-N 3.11Å; S1410-L1412 VanDerWaalsContact C-N 3.3Å; S1410-L1412 PolarHBondContact O-N 3.31Å; L1412-K1415 WeakPolarHBondContact O-CE 3.36Å; L1412-K1415 PolarHBondContact O-NZ 3.37Å |
| 1413 | P | 79.8 | Confident | 88.1 | Confident | 36 Ų | 36 | 32 Ų | 32 | 23% | 0.234 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -60.8 | -51.5 | 177.7 | 18.4 | -26.6 | 0 | 0 | 0 | 110.9 | T1363 L1364 | T1363-P1413 CarbonylContact C-O 3.48Å; T1363-P1413 WeakPolarHBondContact CA-O 3.46Å; T1363-P1413 HydrophobicContact CG2-CB 3.85Å; L1364-P1413 PolarHBondContact N-O 2.92Å |
| 1414 | H | 83.2 | Confident | 88.1 | Confident | 33 Ų | 33 | 29.3 Ų | 29.3 | 15% | 0.153 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -86.8 | 134.1 | 175.3 | -173.2 | 68.5 | 0 | 0 | 0 | 111.5 | S1358 W1361 G1362 E1416 | S1358-H1414 VanDerWaalsContact O-CB 3.26Å; S1358-H1414 WeakPolarHBondContact O-CB 3.49Å; W1361-H1414 PolarHBondContact O-CE1 3.11Å; W1361-H1414 PolarHBondContact O-ND1 2.82Å; G1362-H1414 VanDerWaalsContact O-CA 3.31Å; G1362-H1414 WeakPolarHBondContact O-CA 3.26Å; G1362-H1414 WeakPolarHBondContact O-CB 3.49Å; G1362-H1414 PolarHBondContact O-ND1 3.4Å; G1362-H1414 VanDerWaalsContact O-ND1 3.17Å; H1414-E1416 IonicContact CD2-OE1 3.88Å; H1414-E1416 IonicContact NE2-OE1 2.96Å; H1414-E1416 PolarHBondContact NE2-OE1 3.27Å |
| 1415 | K | 87 | Confident | 88.2 | Confident | 10 Ų | 10 | 28.4 Ų | 28.4 | 4% | 0.043 | 14% | 0.137 | C | C | . | . | trans | -135.4 | 131.5 | -173.2 | -61.6 | 179 | 177.5 | 69.3 | 0 | 111.4 | L1364 P1365 F1366 W1368 Y1369 S1410 L1412 | L1364-K1415 HydrophobicContact CB-CB 4.26Å; L1364-K1415 HydrophobicContact CB-CD 4.1Å; L1364-K1415 HydrophobicContact CB-CG 4.34Å; L1364-K1415 HydrophobicContact CD1-CB 3.91Å; L1364-K1415 WeakPolarHBondContact CD1-O 3.48Å; L1364-K1415 PolarHBondContact O-NZ 2.72Å; P1365-K1415 VanDerWaalsContact O-CE 3.22Å; P1365-K1415 WeakPolarHBondContact O-CE 3.48Å; P1365-K1415 PolarHBondContact O-NZ 2.95Å; F1366-K1415 WeakPolarHBondContact O-CE 3.29Å; W1368-K1415 HydrophobicContact CB-CD 3.97Å; W1368-K1415 HydrophobicContact CE3-CB 3.84Å; W1368-K1415 HydrophobicContact CE3-CD 4.45Å; W1368-K1415 HydrophobicContact CZ3-CB 4.2Å; Y1369-K1415 HydrophobicContact CD2-CD 4.01Å; Y1369-K1415 HydrophobicContact CD2-CG 4.36Å; Y1369-K1415 HydrophobicContact CE1-CB 4.23Å; Y1369-K1415 HydrophobicContact CE2-CB 3.86Å; Y1369-K1415 HydrophobicContact CE2-CD 3.88Å; Y1369-K1415 HydrophobicContact CE2-CG 3.71Å; Y1369-K1415 WeakPolarHBondContact OH-CA 3.28Å; S1410-K1415 WeakPolarHBondContact O-CE 3.36Å; S1410-K1415 PolarHBondContact O-NZ 3.31Å; L1412-K1415 WeakPolarHBondContact O-CE 3.36Å; L1412-K1415 PolarHBondContact O-NZ 3.37Å | ||
| 1416 | E | 83.9 | Confident | 88.3 | Confident | 43 Ų | 43 | 28.5 Ų | 28.5 | 20% | 0.201 | 14% | 0.137 | C | C | . | . | trans | -138.6 | 147.9 | 174.1 | -62.9 | -174.2 | -128.9 | 0 | 0 | 112.1 | Y1369 H1414 R1418 F1419 | Y1369-E1416 WeakPolarHBondContact CE1-O 3.36Å; Y1369-E1416 PolarHBondContact OH-N 3.38Å; Y1369-E1416 PolarHBondContact OH-O 3.45Å; H1414-E1416 IonicContact CD2-OE1 3.88Å; H1414-E1416 IonicContact NE2-OE1 2.96Å; H1414-E1416 PolarHBondContact NE2-OE1 3.27Å; E1416-R1418 HydrophobicContact CB-CG 4.1Å; E1416-R1418 VanDerWaalsContact CD-NH2 3.35Å; E1416-R1418 PolarHBondContact O-N 2.91Å; E1416-R1418 IonicContact OE1-CZ 2.73Å; E1416-R1418 IonicContact OE1-NE 3.29Å; E1416-R1418 IonicContact OE1-NH2 3.12Å; E1416-R1418 PolarHBondContact OE1-NH2 2.91Å; E1416-R1418 WeakPolarHBondContact OE2-CD 3.48Å; E1416-R1418 IonicContact OE2-CZ 2.82Å; E1416-R1418 IonicContact OE2-NE 3.6Å; E1416-R1418 PolarHBondContact OE2-NE 3.27Å; E1416-R1418 IonicContact OE2-NH2 3.63Å; E1416-R1418 PolarHBondContact OE2-NH2 2.99Å; E1416-R1418 VanDerWaalsContact OE2-NH2 3.13Å; E1416-F1419 HydrophobicContact CB-CD2 3.95Å; E1416-F1419 HydrophobicContact CB-CE1 4.48Å; E1416-F1419 HydrophobicContact CB-CE2 3.76Å; E1416-F1419 HydrophobicContact CB-CG 4.38Å; E1416-F1419 HydrophobicContact CB-CZ 4.03Å; E1416-F1419 HydrophobicContact CG-CE2 3.88Å; E1416-F1419 HydrophobicContact CG-CZ 4.02Å; E1416-F1419 PolarHBondContact O-N 3.42Å; E1416-F1419 WeakPolarHBondContact OE1-CZ 3.5Å | ||
| 1417 | L | 85.4 | Confident | 88.5 | Confident | 22 Ų | 22 | 28.5 Ų | 28.5 | 12% | 0.115 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -56.7 | -36.9 | -179.5 | -178.8 | 65.9 | 0 | 0 | 0 | 112.5 | H1245 Y1249 A1373 N1377 F1419 I1420 F1421 | H1245-L1417 HydrophobicContact CB-CD2 4.31Å; Y1249-L1417 HydrophobicContact CE2-CD2 4.45Å; A1373-L1417 HydrophobicContact CB-CD1 3.78Å; A1373-L1417 WeakPolarHBondContact O-CD1 3.34Å; N1377-L1417 HydrophobicContact CB-CD1 4.21Å; L1417-F1419 PolarHBondContact O-N 3.14Å; L1417-I1420 HydrophobicContact CD1-CD1 4.37Å; L1417-I1420 HydrophobicContact CD1-CG1 4.39Å; L1417-I1420 WeakPolarHBondContact O-CG1 3.44Å; L1417-I1420 PolarHBondContact O-N 3.47Å; L1417-F1421 PolarHBondContact O-N 3.41Å |
| 1418 | R | 84.2 | Confident | 88.6 | Confident | 39 Ų | 39 | 24.9 Ų | 24.9 | 15% | 0.147 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -63 | -25.2 | -178.1 | 64.1 | 179.9 | 175.2 | 179.7 | -4.2 | 113.7 | E1140 N1256 E1416 F1421 | E1140-R1418 VanDerWaalsContact CD-NH1 3.32Å; E1140-R1418 IonicContact OE2-CZ 2.8Å; E1140-R1418 VanDerWaalsContact OE2-CZ 3.24Å; E1140-R1418 IonicContact OE2-NE 3.72Å; E1140-R1418 IonicContact OE2-NH1 2.65Å; E1140-R1418 PolarHBondContact OE2-NH1 3.23Å; E1140-R1418 IonicContact OE2-NH2 3.03Å; N1256-R1418 PolarHBondContact ND2-O 2.94Å; E1416-R1418 HydrophobicContact CB-CG 4.1Å; E1416-R1418 VanDerWaalsContact CD-NH2 3.35Å; E1416-R1418 PolarHBondContact O-N 2.91Å; E1416-R1418 IonicContact OE1-CZ 2.73Å; E1416-R1418 IonicContact OE1-NE 3.29Å; E1416-R1418 IonicContact OE1-NH2 3.12Å; E1416-R1418 PolarHBondContact OE1-NH2 2.91Å; E1416-R1418 WeakPolarHBondContact OE2-CD 3.48Å; E1416-R1418 IonicContact OE2-CZ 2.82Å; E1416-R1418 IonicContact OE2-NE 3.6Å; E1416-R1418 PolarHBondContact OE2-NE 3.27Å; E1416-R1418 IonicContact OE2-NH2 3.63Å; E1416-R1418 PolarHBondContact OE2-NH2 2.99Å; E1416-R1418 VanDerWaalsContact OE2-NH2 3.13Å; R1418-F1421 WeakPolarHBondContact O-CB 3.41Å |
| 1419 | F | 85.2 | Confident | 88.8 | Confident | 29 Ų | 29 | 21.3 Ų | 21.3 | 13% | 0.127 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -73.1 | -30.1 | 179.8 | -56.3 | -27.1 | 0 | 0 | 0 | 112.8 | Y1405 Y1409 E1416 L1417 | Y1405-F1419 PolarHBondContact OH-O 2.91Å; Y1409-F1419 HydrophobicContact CD1-CB 3.9Å; Y1409-F1419 HydrophobicContact CE1-CB 3.57Å; Y1409-F1419 HydrophobicContact CE1-CD2 4.44Å; Y1409-F1419 HydrophobicContact CE1-CG 4.23Å; E1416-F1419 HydrophobicContact CB-CD2 3.95Å; E1416-F1419 HydrophobicContact CB-CE1 4.48Å; E1416-F1419 HydrophobicContact CB-CE2 3.76Å; E1416-F1419 HydrophobicContact CB-CG 4.38Å; E1416-F1419 HydrophobicContact CB-CZ 4.03Å; E1416-F1419 HydrophobicContact CG-CE2 3.88Å; E1416-F1419 HydrophobicContact CG-CZ 4.02Å; E1416-F1419 PolarHBondContact O-N 3.42Å; E1416-F1419 WeakPolarHBondContact OE1-CZ 3.5Å; L1417-F1419 PolarHBondContact O-N 3.14Å |
| 1420 | I | 89.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -98.2 | 6.5 | 179.5 | 63.1 | 157 | 0 | 0 | 0 | 113.4 | Y1369 A1373 I1374 V1406 Y1409 L1417 Y1422 A1423 | Y1369-I1420 HydrophobicContact CD1-CB 4.49Å; Y1369-I1420 HydrophobicContact CD1-CD1 3.4Å; Y1369-I1420 VanDerWaalsContact CD1-CD1 3.4Å; Y1369-I1420 HydrophobicContact CD1-CG1 3.8Å; Y1369-I1420 HydrophobicContact CD1-CG2 3.94Å; Y1369-I1420 HydrophobicContact CD2-CG2 4.22Å; Y1369-I1420 HydrophobicContact CE1-CB 4.39Å; Y1369-I1420 HydrophobicContact CE1-CD1 3.96Å; Y1369-I1420 HydrophobicContact CE1-CG1 3.81Å; Y1369-I1420 HydrophobicContact CE1-CG2 3.73Å; Y1369-I1420 HydrophobicContact CE2-CG2 4.03Å; Y1369-I1420 HydrophobicContact CG-CD1 4.04Å; Y1369-I1420 HydrophobicContact CG-CG2 4.17Å; A1373-I1420 HydrophobicContact CB-CD1 4.19Å; I1374-I1420 HydrophobicContact CD1-CD1 4.41Å; I1374-I1420 HydrophobicContact CG1-CD1 3.8Å; V1406-I1420 HydrophobicContact CG1-CD1 4.41Å; V1406-I1420 HydrophobicContact CG1-CG2 4.44Å; V1406-I1420 HydrophobicContact CG2-CB 4.18Å; V1406-I1420 HydrophobicContact CG2-CD1 4.41Å; V1406-I1420 HydrophobicContact CG2-CG2 4.29Å; Y1409-I1420 HydrophobicContact CD1-CG2 4.43Å; Y1409-I1420 HydrophobicContact CG-CG2 4.12Å; L1417-I1420 HydrophobicContact CD1-CD1 4.37Å; L1417-I1420 HydrophobicContact CD1-CG1 4.39Å; L1417-I1420 WeakPolarHBondContact O-CG1 3.44Å; L1417-I1420 PolarHBondContact O-N 3.47Å; I1420-Y1422 PolarHBondContact O-N 2.94Å; I1420-Y1422 VanDerWaalsContact O-N 3.13Å; I1420-A1423 VanDerWaalsContact O-CB 3.27Å; I1420-A1423 WeakPolarHBondContact O-CB 3.37Å; I1420-A1423 PolarHBondContact O-N 3.46Å |
| 1421 | F | 87.5 | Confident | 89.4 | Confident | 4 Ų | 4 | 20.5 Ų | 20.5 | 2% | 0.018 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.8 | -168.3 | -152.2 | -109.4 | 0 | 0 | 0 | 113.8 | H1245 Y1249 I1257 L1260 N1377 L1417 R1418 A1423 I1424 P1425 | H1245-F1421 HydrophobicContact CB-CE2 4.22Å; H1245-F1421 WeakPolarHBondContact O-CZ 3.43Å; Y1249-F1421 AromaticContact CD2-CE2 3.67Å; Y1249-F1421 HydrophobicContact CD2-CE2 3.67Å; Y1249-F1421 AromaticContact CD2-CZ 3.78Å; Y1249-F1421 HydrophobicContact CD2-CZ 3.78Å; Y1249-F1421 HydrophobicContact CE2-CE2 4.36Å; Y1249-F1421 HydrophobicContact CG-CE2 4.43Å; Y1249-F1421 HydrophobicContact CG-CZ 4.19Å; I1257-F1421 HydrophobicContact CD1-CD1 4.17Å; I1257-F1421 HydrophobicContact CD1-CE1 4.09Å; L1260-F1421 HydrophobicContact CD1-CD1 4.34Å; L1260-F1421 HydrophobicContact CD2-CD1 3.74Å; L1260-F1421 HydrophobicContact CD2-CE1 3.7Å; N1377-F1421 WeakPolarHBondContact ND2-CE2 3.23Å; L1417-F1421 PolarHBondContact O-N 3.41Å; R1418-F1421 WeakPolarHBondContact O-CB 3.41Å; F1421-A1423 PolarHBondContact O-N 3.39Å; F1421-I1424 HydrophobicContact CD2-CG1 4.44Å; F1421-I1424 WeakPolarHBondContact O-CB 3.24Å; F1421-I1424 WeakPolarHBondContact O-CG1 3.44Å; F1421-I1424 PolarHBondContact O-N 3.15Å; F1421-I1424 VanDerWaalsContact O-N 3.11Å; F1421-P1425 WeakPolarHBondContact O-CD 3.36Å |
| 1422 | Y | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -21.9 | 175.6 | -42.2 | -66.8 | 0 | 0 | 0 | 113.5 | N1256 A1259 L1260 F1263 R1290 L1293 Y1405 I1420 I1424 | N1256-Y1422 VanDerWaalsContact CA-OH 3.26Å; N1256-Y1422 WeakPolarHBondContact CA-OH 3.43Å; N1256-Y1422 WeakPolarHBondContact CB-OH 3.27Å; N1256-Y1422 WeakPolarHBondContact O-CE1 3.32Å; A1259-Y1422 HydrophobicContact CB-CE1 3.97Å; L1260-Y1422 HydrophobicContact CB-CD1 4.34Å; L1260-Y1422 HydrophobicContact CB-CE1 4.25Å; L1260-Y1422 HydrophobicContact CD1-CD1 4.11Å; F1263-Y1422 HydrophobicContact CB-CD1 4.4Å; F1263-Y1422 WeakPolarHBondContact CE1-O 3.31Å; F1263-Y1422 HydrophobicContact CG-CD1 4.43Å; F1263-Y1422 WeakPolarHBondContact CZ-O 3.18Å; R1290-Y1422 WeakPolarHBondContact CG-OH 3.33Å; L1293-Y1422 HydrophobicContact CD1-CE1 4.11Å; L1293-Y1422 HydrophobicContact CD1-CE2 4.4Å; L1293-Y1422 HydrophobicContact CD2-CD1 3.88Å; L1293-Y1422 HydrophobicContact CD2-CD2 3.54Å; L1293-Y1422 HydrophobicContact CD2-CE1 4.19Å; L1293-Y1422 HydrophobicContact CD2-CE2 3.87Å; L1293-Y1422 HydrophobicContact CD2-CG 3.54Å; L1293-Y1422 HydrophobicContact CG-CD2 4.11Å; L1293-Y1422 HydrophobicContact CG-CE1 4.39Å; L1293-Y1422 HydrophobicContact CG-CE2 3.9Å; L1293-Y1422 HydrophobicContact CG-CG 4.43Å; Y1405-Y1422 HydrophobicContact CE1-CD2 4.17Å; Y1405-Y1422 WeakPolarHBondContact OH-CD2 3.37Å; I1420-Y1422 PolarHBondContact O-N 2.94Å; I1420-Y1422 VanDerWaalsContact O-N 3.13Å; Y1422-I1424 VanDerWaalsContact C-N 3.3Å |
| 1423 | A | 93.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.008 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -70.3 | -29.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1402 Y1405 V1406 I1420 F1421 L1426 L1427 | A1402-A1423 HydrophobicContact CB-CB 4.12Å; Y1405-A1423 HydrophobicContact CD1-CB 4.39Å; V1406-A1423 HydrophobicContact CG2-CB 3.8Å; I1420-A1423 VanDerWaalsContact O-CB 3.27Å; I1420-A1423 WeakPolarHBondContact O-CB 3.37Å; I1420-A1423 PolarHBondContact O-N 3.46Å; F1421-A1423 PolarHBondContact O-N 3.39Å; A1423-L1426 WeakPolarHBondContact O-CB 3.26Å; A1423-L1426 PolarHBondContact O-N 3.29Å; A1423-L1426 VanDerWaalsContact O-N 3.09Å; A1423-L1427 HydrophobicContact CB-CD1 4.41Å; A1423-L1427 WeakPolarHBondContact O-CG 3.4Å; A1423-L1427 PolarHBondContact O-N 3.16Å |
| 1424 | I | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.3 | -48.6 | -171.2 | -55.4 | -62.1 | 0 | 0 | 0 | 112.5 | N1377 L1378 F1421 Y1422 L1426 L1427 N1428 | N1377-I1424 HydrophobicContact CB-CD1 4.03Å; L1378-I1424 HydrophobicContact CD2-CD1 4.33Å; L1378-I1424 HydrophobicContact CD2-CG2 4Å; L1378-I1424 HydrophobicContact CG-CD1 4.4Å; F1421-I1424 HydrophobicContact CD2-CG1 4.44Å; F1421-I1424 WeakPolarHBondContact O-CB 3.24Å; F1421-I1424 WeakPolarHBondContact O-CG1 3.44Å; F1421-I1424 PolarHBondContact O-N 3.15Å; F1421-I1424 VanDerWaalsContact O-N 3.11Å; Y1422-I1424 VanDerWaalsContact C-N 3.3Å; I1424-L1426 PolarHBondContact O-N 3.07Å; I1424-L1427 PolarHBondContact O-N 3.32Å; I1424-L1427 VanDerWaalsContact O-N 3.14Å; I1424-N1428 VanDerWaalsContact O-CG 3.32Å; I1424-N1428 PolarHBondContact O-N 2.89Å; I1424-N1428 PolarHBondContact O-OD1 2.96Å |
| 1425 | P | 94.5 | Very high | 91.2 | Very high | 3 Ų | 3 | 10 Ų | 10 | 2% | 0.019 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -56.7 | -36.2 | 174.6 | -26.1 | 34.3 | 0 | 0 | 0 | 113.7 | L1260 L1264 F1421 N1428 M1429 | L1260-P1425 HydrophobicContact CD1-CG 4Å; L1264-P1425 HydrophobicContact CD2-CB 3.75Å; L1264-P1425 HydrophobicContact CD2-CG 3.76Å; F1421-P1425 WeakPolarHBondContact O-CD 3.36Å; P1425-N1428 PolarHBondContact O-N 3.41Å; P1425-M1429 VanDerWaalsContact O-CG 3.28Å; P1425-M1429 WeakPolarHBondContact O-CG 3.35Å; P1425-M1429 PolarHBondContact O-N 2.86Å |
| 1426 | L | 95.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 9.8 Ų | 9.8 | 1% | 0.005 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -71 | -38.9 | 178.1 | -61.1 | -177.1 | 0 | 0 | 0 | 111.8 | F1263 V1267 L1296 L1398 A1402 A1423 I1424 M1429 A1430 | F1263-L1426 HydrophobicContact CE1-CG 4.34Å; F1263-L1426 HydrophobicContact CZ-CD1 3.95Å; F1263-L1426 HydrophobicContact CZ-CD2 4.17Å; F1263-L1426 HydrophobicContact CZ-CG 3.93Å; V1267-L1426 HydrophobicContact CG1-CD2 3.91Å; V1267-L1426 HydrophobicContact CG2-CD2 3.85Å; L1296-L1426 HydrophobicContact CD1-CD1 4.32Å; L1398-L1426 HydrophobicContact CB-CD2 4.41Å; L1398-L1426 HydrophobicContact CD2-CD2 4.26Å; A1402-L1426 HydrophobicContact CB-CB 3.75Å; A1402-L1426 HydrophobicContact CB-CD1 3.96Å; A1423-L1426 WeakPolarHBondContact O-CB 3.26Å; A1423-L1426 PolarHBondContact O-N 3.29Å; A1423-L1426 VanDerWaalsContact O-N 3.09Å; I1424-L1426 PolarHBondContact O-N 3.07Å; L1426-M1429 HydrophobicContact CD2-SD 4.15Å; L1426-M1429 WeakPolarHBondContact O-CB 3.41Å; L1426-M1429 PolarHBondContact O-N 3.33Å; L1426-A1430 PolarHBondContact O-N 2.84Å |
| 1427 | L | 95.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -68.8 | -35 | 174.8 | -61.2 | 174.7 | 0 | 0 | 0 | 111.5 | I1374 L1378 V1385 A1402 L1403 A1423 I1424 M1429 A1430 A1431 | I1374-L1427 HydrophobicContact CD1-CD1 4.49Å; L1378-L1427 HydrophobicContact CD1-CB 3.88Å; L1378-L1427 HydrophobicContact CD1-CD1 3.83Å; L1378-L1427 HydrophobicContact CD1-CG 4.46Å; L1378-L1427 HydrophobicContact CD2-CB 4.41Å; V1385-L1427 HydrophobicContact CG1-CD2 3.75Å; V1385-L1427 HydrophobicContact CG2-CB 4.27Å; A1402-L1427 HydrophobicContact CB-CD2 3.81Å; A1402-L1427 HydrophobicContact CB-CG 4.05Å; L1403-L1427 HydrophobicContact CD2-CD2 4.23Å; L1403-L1427 HydrophobicContact CG-CD2 4.43Å; A1423-L1427 HydrophobicContact CB-CD1 4.41Å; A1423-L1427 WeakPolarHBondContact O-CG 3.4Å; A1423-L1427 PolarHBondContact O-N 3.16Å; I1424-L1427 PolarHBondContact O-N 3.32Å; I1424-L1427 VanDerWaalsContact O-N 3.14Å; L1427-M1429 VanDerWaalsContact C-N 3.33Å; L1427-A1430 WeakPolarHBondContact O-CB 3.44Å; L1427-A1430 PolarHBondContact O-N 3.05Å; L1427-A1431 PolarHBondContact O-N 2.85Å |
| 1428 | N | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.2 | -39 | 171 | -69.9 | -0.6 | 0 | 0 | 0 | 111.6 | Y1236 I1239 T1240 Q1243 L1378 I1424 P1425 A1430 A1431 S1432 | Y1236-N1428 HydrophobicContact CD2-CB 4.1Å; Y1236-N1428 HydrophobicContact CE2-CB 4.01Å; I1239-N1428 HydrophobicContact CG2-CB 4.07Å; T1240-N1428 PolarHBondContact OG1-ND2 3.36Å; Q1243-N1428 PolarHBondContact NE2-OD1 3.31Å; Q1243-N1428 PolarHBondContact OE1-ND2 3.36Å; Q1243-N1428 PolarHBondContact OE1-OD1 3Å; L1378-N1428 VanDerWaalsContact CD2-OD1 3.26Å; L1378-N1428 WeakPolarHBondContact CD2-OD1 3.28Å; I1424-N1428 VanDerWaalsContact O-CG 3.32Å; I1424-N1428 PolarHBondContact O-N 2.89Å; I1424-N1428 PolarHBondContact O-OD1 2.96Å; P1425-N1428 PolarHBondContact O-N 3.41Å; N1428-A1430 VanDerWaalsContact C-N 3.34Å; N1428-A1431 PolarHBondContact O-N 3.49Å; N1428-S1432 WeakPolarHBondContact O-CB 3.49Å; N1428-S1432 PolarHBondContact O-N 3.41Å; N1428-S1432 PolarHBondContact O-OG 3.18Å |
| 1429 | M | 94.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.5 | -44 | 173.1 | -72.3 | 169.8 | 49.4 | 0 | 0 | 111.3 | L1220 L1224 Y1236 V1267 L1271 L1398 P1425 L1426 L1427 S1432 W1433 | L1220-M1429 HydrophobicContact CD1-SD 4.19Å; L1220-M1429 HydrophobicContact CD2-SD 4.09Å; L1220-M1429 HydrophobicContact CG-SD 4.48Å; L1224-M1429 HydrophobicContact CD1-CG 3.98Å; L1224-M1429 HydrophobicContact CD2-CE 3.84Å; L1224-M1429 HydrophobicContact CD2-CG 4.05Å; L1224-M1429 HydrophobicContact CD2-SD 4.35Å; Y1236-M1429 HydrophobicContact CD2-CG 3.74Å; Y1236-M1429 HydrophobicContact CE2-CG 3.71Å; V1267-M1429 HydrophobicContact CG1-CE 4.13Å; V1267-M1429 HydrophobicContact CG1-SD 3.83Å; L1271-M1429 HydrophobicContact CD1-CE 3.8Å; L1271-M1429 HydrophobicContact CD2-CE 4.27Å; L1271-M1429 HydrophobicContact CG-CE 4.42Å; L1398-M1429 HydrophobicContact CD1-CE 3.36Å; P1425-M1429 VanDerWaalsContact O-CG 3.28Å; P1425-M1429 WeakPolarHBondContact O-CG 3.35Å; P1425-M1429 PolarHBondContact O-N 2.86Å; L1426-M1429 HydrophobicContact CD2-SD 4.15Å; L1426-M1429 WeakPolarHBondContact O-CB 3.41Å; L1426-M1429 PolarHBondContact O-N 3.33Å; L1427-M1429 VanDerWaalsContact C-N 3.33Å; M1429-S1432 WeakPolarHBondContact CA-OG 3.44Å; M1429-S1432 PolarHBondContact O-N 3.04Å; M1429-S1432 PolarHBondContact O-OG 3.01Å; M1429-W1433 PolarHBondContact O-N 3.31Å; M1429-W1433 VanDerWaalsContact O-N 3.07Å |
| 1430 | A | 94.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.008 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -56.8 | -53.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1388 T1399 L1426 L1427 N1428 S1432 W1433 V1434 | A1388-A1430 HydrophobicContact CB-CB 3.56Å; T1399-A1430 HydrophobicContact CG2-CB 4.1Å; T1399-A1430 VanDerWaalsContact OG1-CB 3.26Å; T1399-A1430 WeakPolarHBondContact OG1-CB 3.34Å; L1426-A1430 PolarHBondContact O-N 2.84Å; L1427-A1430 WeakPolarHBondContact O-CB 3.44Å; L1427-A1430 PolarHBondContact O-N 3.05Å; N1428-A1430 VanDerWaalsContact C-N 3.34Å; A1430-S1432 PolarHBondContact O-N 3.34Å; A1430-W1433 PolarHBondContact O-N 3.31Å; A1430-V1434 WeakPolarHBondContact O-CG2 3.45Å; A1430-V1434 PolarHBondContact O-N 3Å |
| 1431 | A | 93.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1239 T1381 F1384 L1427 N1428 W1433 V1434 S1435 | I1239-A1431 HydrophobicContact CD1-CB 4.06Å; T1381-A1431 HydrophobicContact CG2-CB 3.36Å; F1384-A1431 HydrophobicContact CB-CB 3.8Å; L1427-A1431 PolarHBondContact O-N 2.85Å; N1428-A1431 PolarHBondContact O-N 3.49Å; A1431-W1433 VanDerWaalsContact C-N 3.29Å; A1431-W1433 PolarHBondContact O-N 3.04Å; A1431-V1434 PolarHBondContact O-N 3.32Å; A1431-V1434 VanDerWaalsContact O-N 3.12Å; A1431-S1435 PolarHBondContact O-N 2.75Å; A1431-S1435 PolarHBondContact O-OG 3.15Å; A1431-S1435 VanDerWaalsContact O-OG 3.14Å |
| 1432 | S | 94.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.4 | -36.5 | -180 | 71.5 | 0 | 0 | 0 | 0 | 113.2 | N1428 M1429 A1430 A1436 | N1428-S1432 WeakPolarHBondContact O-CB 3.49Å; N1428-S1432 PolarHBondContact O-N 3.41Å; N1428-S1432 PolarHBondContact O-OG 3.18Å; M1429-S1432 WeakPolarHBondContact CA-OG 3.44Å; M1429-S1432 PolarHBondContact O-N 3.04Å; M1429-S1432 PolarHBondContact O-OG 3.01Å; A1430-S1432 PolarHBondContact O-N 3.34Å; S1432-A1436 VanDerWaalsContact O-CB 3.29Å; S1432-A1436 WeakPolarHBondContact O-CB 3.42Å; S1432-A1436 PolarHBondContact O-N 3.36Å |
| 1433 | W | 93.7 | Very high | 85.2 | Confident | 49 Ų | 49 | 34.3 Ų | 34.3 | 19% | 0.186 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.4 | -41.4 | 176.1 | 179.9 | 84.2 | 0 | 0 | 0 | 111.1 | V1232 G1391 P1392 I1395 M1429 A1430 A1431 A1436 R1437 | V1232-W1433 HydrophobicContact CG1-CB 4.47Å; G1391-W1433 VanDerWaalsContact CA-CH2 3.41Å; G1391-W1433 VanDerWaalsContact CA-CZ3 3.43Å; P1392-W1433 HydrophobicContact CG-CD2 4.47Å; P1392-W1433 HydrophobicContact CG-CZ2 4.04Å; I1395-W1433 HydrophobicContact CD1-CB 3.97Å; I1395-W1433 HydrophobicContact CD1-CG 4.33Å; I1395-W1433 HydrophobicContact CG1-CB 4Å; I1395-W1433 HydrophobicContact CG1-CD2 4.45Å; I1395-W1433 HydrophobicContact CG1-CG 3.83Å; I1395-W1433 HydrophobicContact CG2-CB 4.38Å; I1395-W1433 HydrophobicContact CG2-CG 4.48Å; M1429-W1433 PolarHBondContact O-N 3.31Å; M1429-W1433 VanDerWaalsContact O-N 3.07Å; A1430-W1433 PolarHBondContact O-N 3.31Å; A1431-W1433 VanDerWaalsContact C-N 3.29Å; A1431-W1433 PolarHBondContact O-N 3.04Å; W1433-A1436 PolarHBondContact O-N 3.47Å; W1433-R1437 HydrophobicContact CH2-CB 4.43Å; W1433-R1437 HydrophobicContact CH2-CG 4.22Å; W1433-R1437 HydrophobicContact CZ2-CB 4.42Å; W1433-R1437 HydrophobicContact CZ2-CG 4.32Å; W1433-R1437 WeakPolarHBondContact O-CB 3.41Å; W1433-R1437 PolarHBondContact O-N 3.34Å |
| 1434 | V | 91.3 | Very high | 83.4 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -47.6 | 176.9 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | F1384 F1387 A1388 A1430 A1431 A1436 R1437 M1438 | F1384-V1434 HydrophobicContact CB-CB 4.47Å; F1384-V1434 HydrophobicContact CB-CG1 4.48Å; F1384-V1434 HydrophobicContact CD1-CB 4.33Å; F1384-V1434 HydrophobicContact CD1-CG1 3.82Å; F1387-V1434 HydrophobicContact CB-CG1 3.81Å; F1387-V1434 HydrophobicContact CB-CG2 3.85Å; A1388-V1434 HydrophobicContact CB-CG2 3.91Å; A1430-V1434 WeakPolarHBondContact O-CG2 3.45Å; A1430-V1434 PolarHBondContact O-N 3Å; A1431-V1434 PolarHBondContact O-N 3.32Å; A1431-V1434 VanDerWaalsContact O-N 3.12Å; V1434-A1436 VanDerWaalsContact C-N 3.34Å; V1434-A1436 PolarHBondContact O-N 3.45Å; V1434-R1437 PolarHBondContact O-N 2.89Å; V1434-M1438 HydrophobicContact CG1-CG 4.29Å; V1434-M1438 HydrophobicContact CG1-SD 4.26Å; V1434-M1438 WeakPolarHBondContact O-CG 3.38Å; V1434-M1438 PolarHBondContact O-N 3.48Å |
| 1435 | S | 90.3 | Very high | 82.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 177 | -57 | 0 | 0 | 0 | 0 | 111.6 | A1431 R1437 M1438 M1439 | A1431-S1435 PolarHBondContact O-N 2.75Å; A1431-S1435 PolarHBondContact O-OG 3.15Å; A1431-S1435 VanDerWaalsContact O-OG 3.14Å; S1435-R1437 VanDerWaalsContact C-N 3.29Å; S1435-R1437 PolarHBondContact O-N 3.35Å; S1435-M1438 PolarHBondContact O-N 3.16Å; S1435-M1439 VanDerWaalsContact O-CG 3.32Å; S1435-M1439 WeakPolarHBondContact O-CG 3.31Å; S1435-M1439 PolarHBondContact O-N 3.2Å; S1435-M1439 VanDerWaalsContact O-N 3.12Å |
| 1436 | A | 87.5 | Confident | 80.9 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1231 V1232 S1432 W1433 V1434 L1440 | N1231-A1436 HydrophobicContact CB-CB 4.31Å; V1232-A1436 HydrophobicContact CB-CB 4.49Å; V1232-A1436 HydrophobicContact CG2-CB 3.7Å; S1432-A1436 VanDerWaalsContact O-CB 3.29Å; S1432-A1436 WeakPolarHBondContact O-CB 3.42Å; S1432-A1436 PolarHBondContact O-N 3.36Å; W1433-A1436 PolarHBondContact O-N 3.47Å; V1434-A1436 VanDerWaalsContact C-N 3.34Å; V1434-A1436 PolarHBondContact O-N 3.45Å; A1436-L1440 WeakPolarHBondContact O-CG 3.4Å; A1436-L1440 PolarHBondContact O-N 3.04Å |
| 1437 | R | 84.2 | Confident | 79.8 | Confident | 138 Ų | 138 | 50.8 Ų | 50.8 | 52% | 0.521 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -71.1 | -41.4 | 180 | -172 | 57.8 | 175 | 173.6 | 1 | 112.3 | W1433 V1434 S1435 M1439 L1440 M1441 | W1433-R1437 HydrophobicContact CH2-CB 4.43Å; W1433-R1437 HydrophobicContact CH2-CG 4.22Å; W1433-R1437 HydrophobicContact CZ2-CB 4.42Å; W1433-R1437 HydrophobicContact CZ2-CG 4.32Å; W1433-R1437 WeakPolarHBondContact O-CB 3.41Å; W1433-R1437 PolarHBondContact O-N 3.34Å; V1434-R1437 PolarHBondContact O-N 2.89Å; S1435-R1437 VanDerWaalsContact C-N 3.29Å; S1435-R1437 PolarHBondContact O-N 3.35Å; R1437-M1439 VanDerWaalsContact C-N 3.33Å; R1437-M1439 PolarHBondContact O-N 3.32Å; R1437-L1440 PolarHBondContact O-N 3Å; R1437-L1440 VanDerWaalsContact O-N 3.15Å; R1437-M1441 WeakPolarHBondContact O-CG 3.48Å; R1437-M1441 PolarHBondContact O-N 3.49Å |
| 1438 | M | 81.7 | Confident | 78.7 | Confident | 38 Ų | 38 | 51.4 Ų | 51.4 | 19% | 0.187 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 176.5 | -71.9 | -170.8 | 121.2 | 0 | 0 | 111.3 | F1384 V1434 S1435 L1440 M1441 I1452 | F1384-M1438 HydrophobicContact CD1-SD 4.3Å; F1384-M1438 HydrophobicContact CE1-SD 3.73Å; V1434-M1438 HydrophobicContact CG1-CG 4.29Å; V1434-M1438 HydrophobicContact CG1-SD 4.26Å; V1434-M1438 WeakPolarHBondContact O-CG 3.38Å; V1434-M1438 PolarHBondContact O-N 3.48Å; S1435-M1438 PolarHBondContact O-N 3.16Å; M1438-L1440 PolarHBondContact O-N 3.39Å; M1438-M1441 PolarHBondContact O-N 2.97Å; M1438-I1452 WeakPolarHBondContact O-CG1 3.42Å |
| 1439 | M | 75.9 | Confident | 77.7 | Confident | 76 Ų | 76 | 55.8 Ų | 55.8 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.8 | -28.1 | 175.3 | -71.2 | -60.4 | -56 | 0 | 0 | 113.7 | W1235 S1435 R1437 I1452 L1456 | W1235-M1439 HydrophobicContact CZ2-CG 3.76Å; W1235-M1439 HydrophobicContact CZ2-SD 4.2Å; S1435-M1439 VanDerWaalsContact O-CG 3.32Å; S1435-M1439 WeakPolarHBondContact O-CG 3.31Å; S1435-M1439 PolarHBondContact O-N 3.2Å; S1435-M1439 VanDerWaalsContact O-N 3.12Å; R1437-M1439 VanDerWaalsContact C-N 3.33Å; R1437-M1439 PolarHBondContact O-N 3.32Å; M1439-I1452 HydrophobicContact CE-CG2 4.47Å; M1439-I1452 HydrophobicContact SD-CG2 3.85Å; M1439-L1456 HydrophobicContact SD-CD2 4.31Å; M1439-L1456 HydrophobicContact SD-CG 4.22Å |
| 1440 | L | 69.1 | Low | 76.9 | Confident | 85 Ų | 85 | 60.1 Ų | 60.1 | 45% | 0.445 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -85.2 | -12.3 | 178.3 | -67.9 | 170.5 | 0 | 0 | 0 | 113.3 | A1436 R1437 M1438 R1442 | A1436-L1440 WeakPolarHBondContact O-CG 3.4Å; A1436-L1440 PolarHBondContact O-N 3.04Å; R1437-L1440 PolarHBondContact O-N 3Å; R1437-L1440 VanDerWaalsContact O-N 3.15Å; M1438-L1440 PolarHBondContact O-N 3.39Å; L1440-R1442 PolarHBondContact O-N 3.24Å |
| 1441 | M | 66.7 | Low | 76.2 | Confident | 79 Ų | 79 | 60.1 Ų | 60.1 | 39% | 0.389 | 32% | 0.316 | S | S | . | . | trans | -81.6 | 102.6 | 179.4 | -64.4 | -147.5 | -69.4 | 0 | 0 | 109.7 | R1437 M1438 S1443 T1448 | R1437-M1441 WeakPolarHBondContact O-CG 3.48Å; R1437-M1441 PolarHBondContact O-N 3.49Å; M1438-M1441 PolarHBondContact O-N 2.97Å; M1441-S1443 PolarHBondContact O-N 3.03Å; M1441-T1448 HydrophobicContact CB-CG2 3.51Å; M1441-T1448 HydrophobicContact CE-CG2 4.45Å; M1441-T1448 WeakPolarHBondContact O-CG2 2.83Å | ||
| 1442 | R | 52.6 | Low | 75.5 | Confident | 177 Ų | 177 | 62 Ų | 62 | 67% | 0.668 | 33% | 0.326 | S | S | * | . | trans | -83.6 | 23.5 | 178.1 | -68.6 | -168.9 | 176.7 | -165.1 | -3.2 | 114.4 | E1018 L1440 S1444 | E1018-R1442 VanDerWaalsContact CD-NH2 3.31Å; E1018-R1442 VanDerWaalsContact CG-NH2 3.34Å; E1018-R1442 IonicContact OE2-CZ 2.76Å; E1018-R1442 IonicContact OE2-NE 3.1Å; E1018-R1442 IonicContact OE2-NH2 3.52Å; E1018-R1442 PolarHBondContact OE2-NH2 3.14Å; L1440-R1442 PolarHBondContact O-N 3.24Å; R1442-S1444 PolarHBondContact O-N 3.21Å | ||
| 1443 | S | 51.4 | Low | 74.9 | Confident | 58 Ų | 58 | 65.2 Ų | 65.2 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | trans | -74.7 | 126.8 | 177.5 | 175.9 | 0 | 0 | 0 | 0 | 109.4 | M1441 S1445 T1448 | M1441-S1443 PolarHBondContact O-N 3.03Å; S1443-S1445 PolarHBondContact O-N 2.84Å; S1443-S1445 VanDerWaalsContact O-N 3.14Å; S1443-S1445 WeakPolarHBondContact OG-CB 3.34Å; S1443-S1445 PolarHBondContact OG-N 3.23Å; S1443-S1445 VanDerWaalsContact OG-N 3.15Å; S1443-S1445 PolarHBondContact OG-OG 3.31Å; S1443-T1448 WeakPolarHBondContact O-CB 3.32Å | ||
| 1444 | S | 55.9 | Low | 74.5 | Confident | 110 Ų | 110 | 66.8 Ų | 66.8 | 77% | 0.769 | 36% | 0.359 | S | S | * | . | trans | -70 | 4.5 | 169.1 | 48.8 | 0 | 0 | 0 | 0 | 112.9 | R1442 V1446 | R1442-S1444 PolarHBondContact O-N 3.21Å; S1444-V1446 PolarHBondContact O-N 3.27Å | ||
| 1445 | S | 67.2 | Low | 74.2 | Confident | 47 Ų | 47 | 66.4 Ų | 66.4 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -61.8 | 133.6 | 172.7 | 65.4 | 0 | 0 | 0 | 0 | 110.3 | S1443 P1447 T1448 L1449 | S1443-S1445 PolarHBondContact O-N 2.84Å; S1443-S1445 VanDerWaalsContact O-N 3.14Å; S1443-S1445 WeakPolarHBondContact OG-CB 3.34Å; S1443-S1445 PolarHBondContact OG-N 3.23Å; S1443-S1445 VanDerWaalsContact OG-N 3.15Å; S1443-S1445 PolarHBondContact OG-OG 3.31Å; S1445-P1447 VanDerWaalsContact C-N 3.26Å; S1445-P1447 VanDerWaalsContact O-N 3.17Å; S1445-T1448 WeakPolarHBondContact O-CB 3.25Å; S1445-T1448 PolarHBondContact O-N 3.02Å; S1445-T1448 PolarHBondContact OG-OG1 2.87Å; S1445-L1449 PolarHBondContact O-N 3.37Å; S1445-L1449 VanDerWaalsContact O-N 3.16Å |
| 1446 | V | 69.2 | Low | 73.9 | Confident | 102 Ų | 102 | 70.4 Ų | 70.4 | 62% | 0.618 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -47.2 | -42.9 | 178.1 | 177 | 0 | 0 | 0 | 0 | 112.6 | S1444 T1448 L1449 I1450 | S1444-V1446 PolarHBondContact O-N 3.27Å; V1446-T1448 VanDerWaalsContact C-N 3.3Å; V1446-T1448 PolarHBondContact O-N 2.66Å; V1446-L1449 PolarHBondContact O-N 2.92Å; V1446-I1450 HydrophobicContact CG1-CD1 3.7Å; V1446-I1450 HydrophobicContact CG1-CG1 4.31Å; V1446-I1450 WeakPolarHBondContact O-CB 3.38Å; V1446-I1450 VanDerWaalsContact O-CG1 3.26Å; V1446-I1450 WeakPolarHBondContact O-CG1 3.38Å; V1446-I1450 PolarHBondContact O-N 2.87Å |
| 1447 | P | 72 | Confident | 73.8 | Confident | 93 Ų | 93 | 73.3 Ų | 73.3 | 60% | 0.604 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.6 | -34.5 | 176.9 | -23.8 | 35.2 | 0 | 0 | 0 | 114.1 | S1445 G1451 | S1445-P1447 VanDerWaalsContact C-N 3.26Å; S1445-P1447 VanDerWaalsContact O-N 3.17Å; P1447-G1451 PolarHBondContact O-N 3.48Å |
| 1448 | T | 71.7 | Confident | 74 | Confident | 13 Ų | 13 | 66.7 Ų | 66.7 | 8% | 0.08 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -74 | -42.6 | -179.2 | -53.8 | 0 | 0 | 0 | 0 | 110.9 | M1441 S1443 S1445 V1446 G1451 I1452 | M1441-T1448 HydrophobicContact CB-CG2 3.51Å; M1441-T1448 HydrophobicContact CE-CG2 4.45Å; M1441-T1448 WeakPolarHBondContact O-CG2 2.83Å; S1443-T1448 WeakPolarHBondContact O-CB 3.32Å; S1445-T1448 WeakPolarHBondContact O-CB 3.25Å; S1445-T1448 PolarHBondContact O-N 3.02Å; S1445-T1448 PolarHBondContact OG-OG1 2.87Å; V1446-T1448 VanDerWaalsContact C-N 3.3Å; V1446-T1448 PolarHBondContact O-N 2.66Å; T1448-G1451 PolarHBondContact O-N 2.84Å; T1448-G1451 VanDerWaalsContact O-N 3.15Å; T1448-I1452 HydrophobicContact CG2-CD1 4.3Å; T1448-I1452 WeakPolarHBondContact O-CG1 3.05Å; T1448-I1452 PolarHBondContact O-N 2.69Å |
| 1449 | L | 74.9 | Confident | 74.3 | Confident | 93 Ų | 93 | 65.8 Ų | 65.8 | 49% | 0.487 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 172.9 | -83.3 | 159.1 | 0 | 0 | 0 | 112 | S1445 V1446 G1451 I1452 S1453 | S1445-L1449 PolarHBondContact O-N 3.37Å; S1445-L1449 VanDerWaalsContact O-N 3.16Å; V1446-L1449 PolarHBondContact O-N 2.92Å; L1449-G1451 VanDerWaalsContact C-N 3.31Å; L1449-G1451 PolarHBondContact O-N 2.82Å; L1449-I1452 PolarHBondContact O-N 2.91Å; L1449-S1453 WeakPolarHBondContact O-CB 3.17Å; L1449-S1453 PolarHBondContact O-N 3.4Å; L1449-S1453 PolarHBondContact O-OG 2.93Å; L1449-S1453 VanDerWaalsContact O-OG 3.05Å |
| 1450 | I | 77.9 | Confident | 74.9 | Confident | 91 Ų | 91 | 68.3 Ų | 68.3 | 47% | 0.467 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 173 | -69.5 | 168.9 | 0 | 0 | 0 | 110 | V1446 I1452 S1453 L1454 | V1446-I1450 HydrophobicContact CG1-CD1 3.7Å; V1446-I1450 HydrophobicContact CG1-CG1 4.31Å; V1446-I1450 WeakPolarHBondContact O-CB 3.38Å; V1446-I1450 VanDerWaalsContact O-CG1 3.26Å; V1446-I1450 WeakPolarHBondContact O-CG1 3.38Å; V1446-I1450 PolarHBondContact O-N 2.87Å; I1450-I1452 PolarHBondContact O-N 3.43Å; I1450-S1453 PolarHBondContact O-N 3.33Å; I1450-L1454 HydrophobicContact CG2-CD1 3.66Å; I1450-L1454 HydrophobicContact CG2-CG 4.14Å; I1450-L1454 WeakPolarHBondContact O-CB 3.46Å; I1450-L1454 VanDerWaalsContact O-CG 3.23Å; I1450-L1454 WeakPolarHBondContact O-CG 3.37Å; I1450-L1454 PolarHBondContact O-N 3.41Å |
| 1451 | G | 79.3 | Confident | 75.7 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | P1447 T1448 L1449 S1455 | P1447-G1451 PolarHBondContact O-N 3.48Å; T1448-G1451 PolarHBondContact O-N 2.84Å; T1448-G1451 VanDerWaalsContact O-N 3.15Å; L1449-G1451 VanDerWaalsContact C-N 3.31Å; L1449-G1451 PolarHBondContact O-N 2.82Å; G1451-S1455 WeakPolarHBondContact O-CB 3.31Å; G1451-S1455 PolarHBondContact O-N 3.46Å; G1451-S1455 PolarHBondContact O-OG 2.93Å |
| 1452 | I | 79.4 | Confident | 76.8 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 21% | 0.205 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.6 | -49.8 | 175 | -71 | 169.4 | 0 | 0 | 0 | 110.1 | M1438 M1439 T1448 L1449 I1450 L1454 S1455 L1456 | M1438-I1452 WeakPolarHBondContact O-CG1 3.42Å; M1439-I1452 HydrophobicContact CE-CG2 4.47Å; M1439-I1452 HydrophobicContact SD-CG2 3.85Å; T1448-I1452 HydrophobicContact CG2-CD1 4.3Å; T1448-I1452 WeakPolarHBondContact O-CG1 3.05Å; T1448-I1452 PolarHBondContact O-N 2.69Å; L1449-I1452 PolarHBondContact O-N 2.91Å; I1450-I1452 PolarHBondContact O-N 3.43Å; I1452-L1454 PolarHBondContact O-N 3.17Å; I1452-S1455 WeakPolarHBondContact O-CB 3.42Å; I1452-S1455 PolarHBondContact O-N 3.5Å; I1452-S1455 VanDerWaalsContact O-N 3.14Å; I1452-L1456 HydrophobicContact CG2-CD1 4.27Å; I1452-L1456 PolarHBondContact O-N 3.38Å; I1452-L1456 VanDerWaalsContact O-N 3.1Å |
| 1453 | S | 81.6 | Confident | 78.5 | Confident | 67 Ų | 67 | 57.4 Ų | 57.4 | 47% | 0.469 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 178.4 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | L1449 I1450 S1455 L1456 V1457 | L1449-S1453 WeakPolarHBondContact O-CB 3.17Å; L1449-S1453 PolarHBondContact O-N 3.4Å; L1449-S1453 PolarHBondContact O-OG 2.93Å; L1449-S1453 VanDerWaalsContact O-OG 3.05Å; I1450-S1453 PolarHBondContact O-N 3.33Å; S1453-S1455 VanDerWaalsContact C-N 3.32Å; S1453-S1455 PolarHBondContact O-N 2.91Å; S1453-L1456 PolarHBondContact O-N 3.36Å; S1453-V1457 WeakPolarHBondContact O-CB 3.41Å; S1453-V1457 VanDerWaalsContact O-CG2 3.24Å; S1453-V1457 WeakPolarHBondContact O-CG2 3.31Å; S1453-V1457 PolarHBondContact O-N 3.42Å |
| 1454 | L | 84.4 | Confident | 80.1 | Confident | 81 Ų | 81 | 60.1 Ų | 60.1 | 42% | 0.424 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 176.3 | -72.7 | 173.5 | 0 | 0 | 0 | 112.2 | F1384 I1450 I1452 V1457 Q1458 | F1384-L1454 HydrophobicContact CZ-CB 3.9Å; I1450-L1454 HydrophobicContact CG2-CD1 3.66Å; I1450-L1454 HydrophobicContact CG2-CG 4.14Å; I1450-L1454 WeakPolarHBondContact O-CB 3.46Å; I1450-L1454 VanDerWaalsContact O-CG 3.23Å; I1450-L1454 WeakPolarHBondContact O-CG 3.37Å; I1450-L1454 PolarHBondContact O-N 3.41Å; I1452-L1454 PolarHBondContact O-N 3.17Å; L1454-V1457 PolarHBondContact O-N 2.87Å; L1454-Q1458 WeakPolarHBondContact O-CB 3.25Å; L1454-Q1458 PolarHBondContact O-N 3.03Å |
| 1455 | S | 85.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -42 | 178 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | W1235 F1384 G1451 I1452 S1453 P1459 | W1235-S1455 WeakPolarHBondContact CH2-O 3.33Å; W1235-S1455 WeakPolarHBondContact CZ3-O 3.46Å; F1384-S1455 WeakPolarHBondContact CE1-OG 3.45Å; G1451-S1455 WeakPolarHBondContact O-CB 3.31Å; G1451-S1455 PolarHBondContact O-N 3.46Å; G1451-S1455 PolarHBondContact O-OG 2.93Å; I1452-S1455 WeakPolarHBondContact O-CB 3.42Å; I1452-S1455 PolarHBondContact O-N 3.5Å; I1452-S1455 VanDerWaalsContact O-N 3.14Å; S1453-S1455 VanDerWaalsContact C-N 3.32Å; S1453-S1455 PolarHBondContact O-N 2.91Å; S1455-P1459 WeakPolarHBondContact O-CD 3.35Å |
| 1456 | L | 84.7 | Confident | 82.4 | Confident | 84 Ų | 84 | 55.7 Ų | 55.7 | 44% | 0.44 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -71.1 | -39.1 | 178.7 | -70 | 169.5 | 0 | 0 | 0 | 112.9 | W1235 M1439 I1452 S1453 | W1235-L1456 HydrophobicContact CH2-CD2 4.11Å; W1235-L1456 HydrophobicContact CZ2-CD2 4.37Å; M1439-L1456 HydrophobicContact SD-CD2 4.31Å; M1439-L1456 HydrophobicContact SD-CG 4.22Å; I1452-L1456 HydrophobicContact CG2-CD1 4.27Å; I1452-L1456 PolarHBondContact O-N 3.38Å; I1452-L1456 VanDerWaalsContact O-N 3.1Å; S1453-L1456 PolarHBondContact O-N 3.36Å |
| 1457 | V | 84.6 | Confident | 83.1 | Confident | 65 Ų | 65 | 55 Ų | 55 | 39% | 0.394 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -76 | -31.9 | -176.1 | 170.6 | 0 | 0 | 0 | 0 | 112.2 | S1453 L1454 M1460 I1461 | S1453-V1457 WeakPolarHBondContact O-CB 3.41Å; S1453-V1457 VanDerWaalsContact O-CG2 3.24Å; S1453-V1457 WeakPolarHBondContact O-CG2 3.31Å; S1453-V1457 PolarHBondContact O-N 3.42Å; L1454-V1457 PolarHBondContact O-N 2.87Å; V1457-M1460 WeakPolarHBondContact O-CB 3.39Å; V1457-M1460 PolarHBondContact O-N 3.44Å; V1457-M1460 VanDerWaalsContact O-N 3.13Å; V1457-I1461 HydrophobicContact CG1-CD1 3.39Å; V1457-I1461 HydrophobicContact CG1-CG1 3.69Å; V1457-I1461 PolarHBondContact O-N 3.45Å |
| 1458 | Q | 88.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -49.3 | -57.3 | -177 | 153.2 | -165.3 | -85.3 | 0 | 0 | 114 | F1380 T1381 F1384 L1454 M1460 I1461 N1462 | F1380-Q1458 HydrophobicContact CB-CB 4.48Å; F1380-Q1458 HydrophobicContact CB-CG 4.46Å; T1381-Q1458 VanDerWaalsContact CA-OE1 3.28Å; F1384-Q1458 HydrophobicContact CE2-CB 4.3Å; L1454-Q1458 WeakPolarHBondContact O-CB 3.25Å; L1454-Q1458 PolarHBondContact O-N 3.03Å; Q1458-M1460 PolarHBondContact O-N 3.43Å; Q1458-I1461 PolarHBondContact O-N 3.33Å; Q1458-N1462 PolarHBondContact O-N 2.76Å |
| 1459 | P | 88.9 | Confident | 84.3 | Confident | 19 Ų | 19 | 55.3 Ų | 55.3 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.6 | -29.8 | -176.8 | -20.4 | 32.5 | 0 | 0 | 0 | 112.4 | W1235 S1242 S1455 M1463 | W1235-P1459 HydrophobicContact CE3-CG 4.45Å; W1235-P1459 HydrophobicContact CZ3-CG 3.84Å; S1242-P1459 VanDerWaalsContact CB-O 3.23Å; S1242-P1459 WeakPolarHBondContact CB-O 3.36Å; S1455-P1459 WeakPolarHBondContact O-CD 3.35Å; P1459-M1463 WeakPolarHBondContact O-CB 3.35Å; P1459-M1463 PolarHBondContact O-N 2.83Å |
| 1460 | M | 86.7 | Confident | 84.8 | Confident | 128 Ų | 128 | 51.6 Ų | 51.6 | 63% | 0.631 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -67.6 | -46.8 | 177.5 | -60.6 | -176.5 | 179 | 0 | 0 | 111 | V1457 Q1458 M1463 L1464 | V1457-M1460 WeakPolarHBondContact O-CB 3.39Å; V1457-M1460 PolarHBondContact O-N 3.44Å; V1457-M1460 VanDerWaalsContact O-N 3.13Å; Q1458-M1460 PolarHBondContact O-N 3.43Å; M1460-M1463 PolarHBondContact O-N 3.34Å; M1460-L1464 WeakPolarHBondContact O-CG 3.42Å; M1460-L1464 PolarHBondContact O-N 2.94Å |
| 1461 | I | 86.3 | Confident | 84.9 | Confident | 48 Ų | 48 | 55.5 Ų | 55.5 | 25% | 0.246 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 175.4 | -66.2 | 179.5 | 0 | 0 | 0 | 110.5 | F1380 V1457 Q1458 M1463 L1464 L1465 | F1380-I1461 HydrophobicContact CD2-CB 4.45Å; F1380-I1461 HydrophobicContact CD2-CD1 4.26Å; F1380-I1461 HydrophobicContact CD2-CG2 3.69Å; F1380-I1461 HydrophobicContact CE1-CD1 4.42Å; F1380-I1461 HydrophobicContact CE2-CD1 4.13Å; F1380-I1461 HydrophobicContact CE2-CG2 4.05Å; F1380-I1461 HydrophobicContact CG-CD1 4.45Å; F1380-I1461 HydrophobicContact CG-CG2 4.43Å; F1380-I1461 HydrophobicContact CZ-CD1 4.21Å; V1457-I1461 HydrophobicContact CG1-CD1 3.39Å; V1457-I1461 HydrophobicContact CG1-CG1 3.69Å; V1457-I1461 PolarHBondContact O-N 3.45Å; Q1458-I1461 PolarHBondContact O-N 3.33Å; I1461-M1463 VanDerWaalsContact C-N 3.28Å; I1461-M1463 PolarHBondContact O-N 3.16Å; I1461-L1464 PolarHBondContact O-N 2.85Å; I1461-L1465 HydrophobicContact CG2-CD1 4.06Å; I1461-L1465 HydrophobicContact CG2-CG 4.43Å; I1461-L1465 WeakPolarHBondContact O-CG 3.3Å; I1461-L1465 PolarHBondContact O-N 3.18Å |
| 1462 | N | 90.9 | Very high | 85 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 178.8 | -78.7 | 7 | 0 | 0 | 0 | 111.7 | S1242 L1378 C1379 F1380 T1381 Q1458 L1465 A1466 | S1242-N1462 CarbonylContact O-C 3.48Å; S1242-N1462 VanDerWaalsContact O-C 3.25Å; S1242-N1462 WeakPolarHBondContact O-CB 3.25Å; S1242-N1462 VanDerWaalsContact O-O 3.11Å; L1378-N1462 PolarHBondContact O-ND2 2.82Å; C1379-N1462 WeakPolarHBondContact CB-OD1 3.33Å; F1380-N1462 PolarHBondContact N-OD1 3.07Å; F1380-N1462 VanDerWaalsContact N-OD1 3.12Å; T1381-N1462 PolarHBondContact OG1-ND2 3.46Å; Q1458-N1462 PolarHBondContact O-N 2.76Å; N1462-L1465 PolarHBondContact O-N 3.43Å; N1462-A1466 WeakPolarHBondContact O-CB 3.12Å; N1462-A1466 PolarHBondContact O-N 2.75Å |
| 1463 | M | 87.6 | Confident | 85.3 | Confident | 62 Ų | 62 | 54.2 Ų | 54.2 | 31% | 0.305 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 176.6 | -170.2 | 64.8 | 74.7 | 0 | 0 | 112.2 | I1126 L1241 P1459 M1460 I1461 A1466 L1467 | I1126-M1463 HydrophobicContact CD1-CE 4.06Å; L1241-M1463 WeakPolarHBondContact O-CE 3.47Å; P1459-M1463 WeakPolarHBondContact O-CB 3.35Å; P1459-M1463 PolarHBondContact O-N 2.83Å; M1460-M1463 PolarHBondContact O-N 3.34Å; I1461-M1463 VanDerWaalsContact C-N 3.28Å; I1461-M1463 PolarHBondContact O-N 3.16Å; M1463-A1466 WeakPolarHBondContact O-CB 3.47Å; M1463-A1466 PolarHBondContact O-N 3.13Å; M1463-L1467 WeakPolarHBondContact O-CG 3.18Å; M1463-L1467 PolarHBondContact O-N 3.42Å |
| 1464 | L | 84.7 | Confident | 85.4 | Confident | 115 Ų | 115 | 54.8 Ų | 54.8 | 60% | 0.602 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60 | -46.1 | 174.4 | -75 | 165.7 | 0 | 0 | 0 | 111.5 | M1460 I1461 A1466 L1467 C1468 | M1460-L1464 WeakPolarHBondContact O-CG 3.42Å; M1460-L1464 PolarHBondContact O-N 2.94Å; I1461-L1464 PolarHBondContact O-N 2.85Å; L1464-A1466 VanDerWaalsContact C-N 3.28Å; L1464-A1466 PolarHBondContact O-N 2.63Å; L1464-L1467 PolarHBondContact O-N 3.24Å; L1464-C1468 PolarHBondContact O-N 3.01Å |
| 1465 | L | 84.8 | Confident | 85.3 | Confident | 63 Ų | 63 | 52 Ų | 52 | 33% | 0.33 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 174.8 | -68.8 | 173 | 0 | 0 | 0 | 111.8 | C1379 I1461 N1462 C1468 F1469 | C1379-L1465 HydrophobicContact CB-CD1 4.04Å; I1461-L1465 HydrophobicContact CG2-CD1 4.06Å; I1461-L1465 HydrophobicContact CG2-CG 4.43Å; I1461-L1465 WeakPolarHBondContact O-CG 3.3Å; I1461-L1465 PolarHBondContact O-N 3.18Å; N1462-L1465 PolarHBondContact O-N 3.43Å; L1465-C1468 WeakPolarHBondContact O-CB 3.18Å; L1465-C1468 PolarHBondContact O-N 2.78Å; L1465-F1469 HydrophobicContact CB-CE2 4.38Å; L1465-F1469 WeakPolarHBondContact O-CD2 3.41Å; L1465-F1469 WeakPolarHBondContact O-CG 3.31Å; L1465-F1469 PolarHBondContact O-N 2.68Å |
| 1466 | A | 87.6 | Confident | 85.3 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1244 N1462 M1463 L1464 C1468 F1469 M1470 | F1244-A1466 HydrophobicContact CB-CB 3.77Å; N1462-A1466 WeakPolarHBondContact O-CB 3.12Å; N1462-A1466 PolarHBondContact O-N 2.75Å; M1463-A1466 WeakPolarHBondContact O-CB 3.47Å; M1463-A1466 PolarHBondContact O-N 3.13Å; L1464-A1466 VanDerWaalsContact C-N 3.28Å; L1464-A1466 PolarHBondContact O-N 2.63Å; A1466-C1468 VanDerWaalsContact C-N 3.32Å; A1466-C1468 PolarHBondContact O-N 3.17Å; A1466-F1469 PolarHBondContact O-N 3.23Å; A1466-M1470 VanDerWaalsContact O-CB 3.26Å; A1466-M1470 WeakPolarHBondContact O-CB 3.49Å; A1466-M1470 PolarHBondContact O-N 2.84Å |
| 1467 | L | 84.3 | Confident | 85.5 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 45% | 0.45 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 172.4 | -68.7 | 171.4 | 0 | 0 | 0 | 111.8 | M1463 L1464 M1470 R1471 | M1463-L1467 WeakPolarHBondContact O-CG 3.18Å; M1463-L1467 PolarHBondContact O-N 3.42Å; L1464-L1467 PolarHBondContact O-N 3.24Å; L1467-M1470 HydrophobicContact CD2-CE 3.86Å; L1467-R1471 PolarHBondContact O-N 3.24Å |
| 1468 | C | 81.8 | Confident | 85.7 | Confident | 49 Ų | 49 | 49.2 Ų | 49.2 | 33% | 0.331 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.2 | -50.5 | 174 | -67.5 | 0 | 0 | 0 | 0 | 111.9 | L1464 L1465 A1466 M1470 R1471 A1472 Y1589 | L1464-C1468 PolarHBondContact O-N 3.01Å; L1465-C1468 WeakPolarHBondContact O-CB 3.18Å; L1465-C1468 PolarHBondContact O-N 2.78Å; A1466-C1468 VanDerWaalsContact C-N 3.32Å; A1466-C1468 PolarHBondContact O-N 3.17Å; C1468-M1470 VanDerWaalsContact C-N 3.29Å; C1468-M1470 PolarHBondContact O-N 3.33Å; C1468-R1471 PolarHBondContact O-N 3.11Å; C1468-R1471 VanDerWaalsContact O-N 3.16Å; C1468-A1472 PolarHBondContact O-N 3.26Å; C1468-Y1589 VanDerWaalsContact CA-OH 3.25Å; C1468-Y1589 WeakPolarHBondContact CA-OH 3.31Å; C1468-Y1589 WeakPolarHBondContact CB-OH 3.41Å; C1468-Y1589 PolarHBondContact O-OH 3.11Å |
| 1469 | F | 85.7 | Confident | 85.8 | Confident | 65 Ų | 65 | 49.2 Ų | 49.2 | 29% | 0.285 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.4 | -34.7 | 178.9 | -65.6 | -33.7 | 0 | 0 | 0 | 113.1 | F1244 L1465 A1466 R1471 A1472 A1473 | F1244-F1469 HydrophobicContact CB-CB 4.19Å; F1244-F1469 HydrophobicContact CB-CD2 3.9Å; F1244-F1469 HydrophobicContact CD1-CB 3.62Å; F1244-F1469 HydrophobicContact CD1-CD2 4.07Å; F1244-F1469 HydrophobicContact CD1-CG 4.2Å; F1244-F1469 HydrophobicContact CD2-CB 3.59Å; F1244-F1469 HydrophobicContact CE1-CB 3.89Å; F1244-F1469 HydrophobicContact CE2-CB 3.9Å; F1244-F1469 HydrophobicContact CG-CB 3.49Å; F1244-F1469 VanDerWaalsContact CG-CB 3.49Å; F1244-F1469 HydrophobicContact CG-CD2 4.02Å; F1244-F1469 HydrophobicContact CG-CG 4.24Å; F1244-F1469 HydrophobicContact CZ-CB 4.05Å; L1465-F1469 HydrophobicContact CB-CE2 4.38Å; L1465-F1469 WeakPolarHBondContact O-CD2 3.41Å; L1465-F1469 WeakPolarHBondContact O-CG 3.31Å; L1465-F1469 PolarHBondContact O-N 2.68Å; A1466-F1469 PolarHBondContact O-N 3.23Å; F1469-R1471 VanDerWaalsContact C-N 3.34Å; F1469-R1471 PolarHBondContact O-N 3.3Å; F1469-A1472 PolarHBondContact O-N 2.86Å; F1469-A1473 WeakPolarHBondContact O-CB 3.35Å; F1469-A1473 PolarHBondContact O-N 3.34Å |
| 1470 | M | 85.4 | Confident | 85.8 | Confident | 14 Ų | 14 | 48.3 Ų | 48.3 | 7% | 0.069 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.5 | -41.7 | 174.4 | -176 | -174.2 | 69 | 0 | 0 | 111.8 | Y1129 Y1130 L1133 I1134 F1244 A1466 L1467 C1468 A1472 A1473 I1474 | Y1129-M1470 HydrophobicContact CD1-SD 4.05Å; Y1129-M1470 HydrophobicContact CE1-CE 3.84Å; Y1129-M1470 HydrophobicContact CE1-SD 3.69Å; Y1130-M1470 HydrophobicContact CE1-CB 4.47Å; Y1130-M1470 HydrophobicContact CE1-CG 4.42Å; Y1130-M1470 HydrophobicContact CE2-SD 4.23Å; L1133-M1470 HydrophobicContact CD1-CE 3.91Å; L1133-M1470 HydrophobicContact CD1-CG 4.45Å; L1133-M1470 HydrophobicContact CD1-SD 3.64Å; I1134-M1470 HydrophobicContact CD1-CG 4.45Å; F1244-M1470 HydrophobicContact CD2-CB 4.33Å; F1244-M1470 HydrophobicContact CE2-CB 4.06Å; A1466-M1470 VanDerWaalsContact O-CB 3.26Å; A1466-M1470 WeakPolarHBondContact O-CB 3.49Å; A1466-M1470 PolarHBondContact O-N 2.84Å; L1467-M1470 HydrophobicContact CD2-CE 3.86Å; C1468-M1470 VanDerWaalsContact C-N 3.29Å; C1468-M1470 PolarHBondContact O-N 3.33Å; M1470-A1472 VanDerWaalsContact C-N 3.34Å; M1470-A1472 PolarHBondContact O-N 2.87Å; M1470-A1473 PolarHBondContact O-N 3.03Å; M1470-A1473 VanDerWaalsContact O-N 3.15Å; M1470-I1474 WeakPolarHBondContact O-CG1 3.41Å; M1470-I1474 PolarHBondContact O-N 3.23Å |
| 1471 | R | 80.8 | Confident | 85.9 | Confident | 174 Ų | 174 | 47 Ų | 47 | 66% | 0.657 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.6 | -40.3 | 176.4 | -169.4 | 169.5 | -179.4 | 174.5 | 1 | 112.3 | L1467 C1468 F1469 Y1589 | L1467-R1471 PolarHBondContact O-N 3.24Å; C1468-R1471 PolarHBondContact O-N 3.11Å; C1468-R1471 VanDerWaalsContact O-N 3.16Å; F1469-R1471 VanDerWaalsContact C-N 3.34Å; F1469-R1471 PolarHBondContact O-N 3.3Å; R1471-Y1589 HydrophobicContact CB-CE2 4.26Å; R1471-Y1589 HydrophobicContact CG-CD2 4.26Å; R1471-Y1589 HydrophobicContact CG-CE2 4.02Å |
| 1472 | A | 81.5 | Confident | 86.1 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 8% | 0.083 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.5 | -41.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C1468 F1469 M1470 I1474 A1475 F1571 Y1589 | C1468-A1472 PolarHBondContact O-N 3.26Å; F1469-A1472 PolarHBondContact O-N 2.86Å; M1470-A1472 VanDerWaalsContact C-N 3.34Å; M1470-A1472 PolarHBondContact O-N 2.87Å; A1472-I1474 VanDerWaalsContact C-N 3.35Å; A1472-I1474 PolarHBondContact O-N 3.42Å; A1472-A1475 PolarHBondContact O-N 3.45Å; A1472-F1571 HydrophobicContact CB-CD2 4.03Å; A1472-F1571 HydrophobicContact CB-CE2 3.95Å; A1472-F1571 HydrophobicContact CB-CG 4.5Å; A1472-F1571 HydrophobicContact CB-CZ 4.33Å; A1472-Y1589 HydrophobicContact CB-CD1 3.85Å; A1472-Y1589 HydrophobicContact CB-CE1 3.74Å |
| 1473 | A | 85.3 | Confident | 86.1 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.3 | -29.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1134 F1244 F1248 F1469 M1470 A1475 N1476 Y1477 | I1134-A1473 HydrophobicContact CD1-CB 3.77Å; F1244-A1473 HydrophobicContact CE2-CB 4.23Å; F1244-A1473 HydrophobicContact CZ-CB 3.71Å; F1248-A1473 HydrophobicContact CD2-CB 4.48Å; F1248-A1473 HydrophobicContact CE2-CB 4.1Å; F1469-A1473 WeakPolarHBondContact O-CB 3.35Å; F1469-A1473 PolarHBondContact O-N 3.34Å; M1470-A1473 PolarHBondContact O-N 3.03Å; M1470-A1473 VanDerWaalsContact O-N 3.15Å; A1473-A1475 VanDerWaalsContact C-N 3.25Å; A1473-A1475 PolarHBondContact O-N 3.09Å; A1473-N1476 WeakPolarHBondContact O-CB 3.43Å; A1473-N1476 PolarHBondContact O-N 3.22Å; A1473-Y1477 WeakPolarHBondContact O-CD2 3.28Å; A1473-Y1477 VanDerWaalsContact O-CE2 3.31Å; A1473-Y1477 WeakPolarHBondContact O-CE2 3.3Å |
| 1474 | I | 83.8 | Confident | 86.2 | Confident | 78 Ų | 78 | 44.5 Ų | 44.5 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.6 | -40.9 | 172.9 | -69.2 | 164.8 | 0 | 0 | 0 | 110.5 | L1133 I1134 M1470 A1472 N1476 | L1133-I1474 HydrophobicContact CB-CD1 4.34Å; L1133-I1474 HydrophobicContact CD1-CD1 4.39Å; I1134-I1474 HydrophobicContact CD1-CG1 4.48Å; I1134-I1474 HydrophobicContact CG1-CG1 3.85Å; M1470-I1474 WeakPolarHBondContact O-CG1 3.41Å; M1470-I1474 PolarHBondContact O-N 3.23Å; A1472-I1474 VanDerWaalsContact C-N 3.35Å; A1472-I1474 PolarHBondContact O-N 3.42Å; I1474-N1476 PolarHBondContact O-N 3.32Å |
| 1475 | A | 82.3 | Confident | 86.4 | Confident | 24 Ų | 24 | 40.3 Ų | 40.3 | 20% | 0.198 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 3.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1472 A1473 G1570 F1571 L1591 | A1472-A1475 PolarHBondContact O-N 3.45Å; A1473-A1475 VanDerWaalsContact C-N 3.25Å; A1473-A1475 PolarHBondContact O-N 3.09Å; A1475-G1570 VanDerWaalsContact O-CA 3.3Å; A1475-G1570 WeakPolarHBondContact O-CA 3.45Å; A1475-F1571 HydrophobicContact CB-CB 4.1Å; A1475-F1571 PolarHBondContact O-N 3.29Å; A1475-F1571 VanDerWaalsContact O-N 3.09Å; A1475-L1591 HydrophobicContact CB-CD2 3.69Å |
| 1476 | N | 84.9 | Confident | 86.8 | Confident | 75 Ų | 75 | 37.3 Ų | 37.3 | 40% | 0.401 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 10.8 | -178.8 | -83 | -29.8 | 0 | 0 | 0 | 114.3 | A1473 I1474 P1478 F1571 | A1473-N1476 WeakPolarHBondContact O-CB 3.43Å; A1473-N1476 PolarHBondContact O-N 3.22Å; I1474-N1476 PolarHBondContact O-N 3.32Å; N1476-P1478 VanDerWaalsContact C-CD 3.43Å; N1476-F1571 WeakPolarHBondContact OD1-CB 3.47Å |
| 1477 | Y | 88.9 | Confident | 86.8 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | trans | -131.9 | 51.3 | -176.5 | -57.5 | -84.8 | 0 | 0 | 0 | 114.3 | I1134 F1136 K1138 F1248 R1252 A1473 G1479 G1480 E1481 T1511 | I1134-Y1477 HydrophobicContact CG2-CD2 3.59Å; I1134-Y1477 HydrophobicContact CG2-CE2 3.26Å; F1136-Y1477 HydrophobicContact CB-CD1 3.93Å; F1136-Y1477 HydrophobicContact CB-CG 3.88Å; K1138-Y1477 HydrophobicContact CB-CE1 4.17Å; F1248-Y1477 WeakPolarHBondContact CZ-OH 3.31Å; R1252-Y1477 PolarHBondContact NH1-OH 2.81Å; R1252-Y1477 VanDerWaalsContact NH1-OH 3.11Å; R1252-Y1477 PolarHBondContact NH2-OH 2.82Å; R1252-Y1477 VanDerWaalsContact NH2-OH 3.07Å; A1473-Y1477 WeakPolarHBondContact O-CD2 3.28Å; A1473-Y1477 VanDerWaalsContact O-CE2 3.31Å; A1473-Y1477 WeakPolarHBondContact O-CE2 3.3Å; Y1477-G1479 VanDerWaalsContact C-N 3.3Å; Y1477-G1479 PolarHBondContact O-N 3.23Å; Y1477-G1480 PolarHBondContact O-N 2.82Å; Y1477-E1481 PolarHBondContact O-N 2.85Å; Y1477-T1511 CarbonylContact C-O 3.54Å; Y1477-T1511 WeakPolarHBondContact CA-O 3.45Å | ||
| 1478 | P | 89.3 | Confident | 87 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.013 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -32.1 | -176.4 | 26.3 | -36.1 | 0 | 0 | 0 | 113.3 | N1476 G1480 E1481 A1482 F1568 R1594 V1595 | N1476-P1478 VanDerWaalsContact C-CD 3.43Å; P1478-G1480 PolarHBondContact O-N 2.81Å; P1478-E1481 PolarHBondContact O-N 3.45Å; P1478-A1482 VanDerWaalsContact O-CB 3.28Å; P1478-A1482 WeakPolarHBondContact O-CB 3.25Å; P1478-A1482 PolarHBondContact O-N 2.91Å; P1478-F1568 HydrophobicContact CB-CB 3.91Å; P1478-R1594 HydrophobicContact CG-CB 4.15Å; P1478-V1595 HydrophobicContact CB-CB 4.27Å; P1478-V1595 HydrophobicContact CB-CG2 3.95Å; P1478-V1595 HydrophobicContact CG-CG2 3.96Å |
| 1479 | G | 89.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.4 | -39.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1477 A1482 I1483 T1511 V1513 | Y1477-G1479 VanDerWaalsContact C-N 3.3Å; Y1477-G1479 PolarHBondContact O-N 3.23Å; G1479-A1482 PolarHBondContact O-N 3.12Å; G1479-I1483 PolarHBondContact O-N 2.95Å; G1479-T1511 WeakPolarHBondContact CA-OG1 3.3Å; G1479-T1511 PolarHBondContact N-O 3.42Å; G1479-T1511 VanDerWaalsContact N-O 3.14Å; G1479-T1511 PolarHBondContact N-OG1 3.11Å; G1479-V1513 WeakPolarHBondContact O-CG2 3.37Å |
| 1480 | G | 89.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1136 Y1477 P1478 I1483 V1484 T1511 | F1136-G1480 WeakPolarHBondContact CE1-O 3.33Å; F1136-G1480 VanDerWaalsContact CZ-C 3.49Å; F1136-G1480 WeakPolarHBondContact CZ-O 3.41Å; Y1477-G1480 PolarHBondContact O-N 2.82Å; P1478-G1480 PolarHBondContact O-N 2.81Å; G1480-I1483 VanDerWaalsContact O-CG2 3.27Å; G1480-I1483 WeakPolarHBondContact O-CG2 3.26Å; G1480-V1484 WeakPolarHBondContact O-CG2 3.32Å; G1480-V1484 PolarHBondContact O-N 3.07Å; G1480-T1511 PolarHBondContact N-O 2.88Å |
| 1481 | E | 89.1 | Confident | 87.3 | Confident | 101 Ų | 101 | 38.7 Ų | 38.7 | 47% | 0.472 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.6 | -40.3 | 174.7 | -169.4 | 175.9 | -172.9 | 0 | 0 | 111.8 | Y1477 P1478 I1483 V1484 T1485 F1568 | Y1477-E1481 PolarHBondContact O-N 2.85Å; P1478-E1481 PolarHBondContact O-N 3.45Å; E1481-I1483 PolarHBondContact O-N 3.27Å; E1481-V1484 PolarHBondContact O-N 3.14Å; E1481-T1485 WeakPolarHBondContact O-CB 3.43Å; E1481-T1485 PolarHBondContact O-N 2.99Å; E1481-T1485 PolarHBondContact O-OG1 3.49Å; E1481-F1568 HydrophobicContact CB-CD1 4.15Å; E1481-F1568 HydrophobicContact CG-CD1 3.86Å; E1481-F1568 HydrophobicContact CG-CE1 4.08Å |
| 1482 | A | 90.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -43 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1478 G1479 T1485 L1486 L1544 F1568 V1595 | P1478-A1482 VanDerWaalsContact O-CB 3.28Å; P1478-A1482 WeakPolarHBondContact O-CB 3.25Å; P1478-A1482 PolarHBondContact O-N 2.91Å; G1479-A1482 PolarHBondContact O-N 3.12Å; A1482-T1485 PolarHBondContact O-N 2.88Å; A1482-L1486 WeakPolarHBondContact O-CB 3.46Å; A1482-L1486 PolarHBondContact O-N 3.23Å; A1482-L1544 HydrophobicContact CB-CD2 3.72Å; A1482-F1568 HydrophobicContact CB-CD1 4.33Å; A1482-F1568 HydrophobicContact CB-CD2 3.42Å; A1482-F1568 VanDerWaalsContact CB-CD2 3.42Å; A1482-F1568 HydrophobicContact CB-CE1 4.39Å; A1482-F1568 HydrophobicContact CB-CE2 3.5Å; A1482-F1568 VanDerWaalsContact CB-CE2 3.5Å; A1482-F1568 HydrophobicContact CB-CG 3.87Å; A1482-F1568 HydrophobicContact CB-CZ 4.02Å; A1482-V1595 HydrophobicContact CB-CG1 3.63Å |
| 1483 | I | 90.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.3 | -35.4 | 178.2 | -165.9 | 170.5 | 0 | 0 | 0 | 112.5 | G1479 G1480 E1481 T1485 L1486 H1487 I1504 V1513 L1517 Y1525 L1544 | G1479-I1483 PolarHBondContact O-N 2.95Å; G1480-I1483 VanDerWaalsContact O-CG2 3.27Å; G1480-I1483 WeakPolarHBondContact O-CG2 3.26Å; E1481-I1483 PolarHBondContact O-N 3.27Å; I1483-T1485 VanDerWaalsContact C-N 3.32Å; I1483-L1486 PolarHBondContact O-N 3.1Å; I1483-H1487 VanDerWaalsContact CG1-CE1 3.43Å; I1483-H1487 WeakPolarHBondContact CG1-CE1 3.44Å; I1483-H1487 VanDerWaalsContact O-CG 3.25Å; I1483-H1487 PolarHBondContact O-N 3.41Å; I1483-H1487 PolarHBondContact O-ND1 3.09Å; I1483-I1504 HydrophobicContact CD1-CD1 3.97Å; I1483-V1513 HydrophobicContact CB-CG2 4.03Å; I1483-V1513 HydrophobicContact CD1-CG1 3.47Å; I1483-V1513 VanDerWaalsContact CD1-CG1 3.47Å; I1483-V1513 HydrophobicContact CD1-CG2 4.49Å; I1483-V1513 HydrophobicContact CG2-CG1 4.39Å; I1483-V1513 HydrophobicContact CG2-CG2 3.84Å; I1483-L1517 HydrophobicContact CD1-CB 4.34Å; I1483-L1517 HydrophobicContact CG2-CB 4.07Å; I1483-L1517 HydrophobicContact CG2-CD1 3.59Å; I1483-L1517 HydrophobicContact CG2-CG 4.47Å; I1483-Y1525 HydrophobicContact CD1-CE1 4.26Å; I1483-L1544 HydrophobicContact CB-CD1 4.07Å; I1483-L1544 HydrophobicContact CG1-CD1 4.39Å |
| 1484 | V | 89.1 | Confident | 87.7 | Confident | 60 Ų | 60 | 40.1 Ų | 40.1 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 174.4 | 171 | 0 | 0 | 0 | 0 | 109.9 | F1136 G1480 E1481 H1487 T1488 | F1136-V1484 HydrophobicContact CE1-CG2 3.88Å; F1136-V1484 HydrophobicContact CZ-CG2 3.92Å; G1480-V1484 WeakPolarHBondContact O-CG2 3.32Å; G1480-V1484 PolarHBondContact O-N 3.07Å; E1481-V1484 PolarHBondContact O-N 3.14Å; V1484-H1487 PolarHBondContact O-N 2.86Å; V1484-T1488 PolarHBondContact O-N 3.41Å; V1484-T1488 PolarHBondContact O-OG1 2.78Å |
| 1485 | T | 90.3 | Very high | 87.7 | Confident | 27 Ų | 27 | 38 Ų | 38 | 17% | 0.166 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -46.2 | 177.6 | -54.6 | 0 | 0 | 0 | 0 | 111 | E1481 A1482 I1483 H1487 T1488 T1489 Y1566 F1568 | E1481-T1485 WeakPolarHBondContact O-CB 3.43Å; E1481-T1485 PolarHBondContact O-N 2.99Å; E1481-T1485 PolarHBondContact O-OG1 3.49Å; A1482-T1485 PolarHBondContact O-N 2.88Å; I1483-T1485 VanDerWaalsContact C-N 3.32Å; T1485-H1487 VanDerWaalsContact C-N 3.3Å; T1485-H1487 PolarHBondContact O-N 3.26Å; T1485-T1488 WeakPolarHBondContact CA-OG1 3.3Å; T1485-T1488 PolarHBondContact O-N 3.23Å; T1485-T1488 PolarHBondContact O-OG1 3.27Å; T1485-T1489 PolarHBondContact O-N 3.47Å; T1485-T1489 PolarHBondContact O-OG1 3.05Å; T1485-Y1566 HydrophobicContact CG2-CD2 4.09Å; T1485-Y1566 HydrophobicContact CG2-CE2 4.11Å; T1485-Y1566 HydrophobicContact CG2-CG 4.44Å; T1485-F1568 HydrophobicContact CG2-CE1 4.19Å; T1485-F1568 HydrophobicContact CG2-CZ 3.79Å; T1485-F1568 VanDerWaalsContact OG1-CE1 3.31Å; T1485-F1568 WeakPolarHBondContact OG1-CE1 3.35Å |
| 1486 | L | 91.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -52.4 | -47.9 | 173.6 | 173.7 | 58.6 | 0 | 0 | 0 | 111.7 | A1482 I1483 T1488 T1489 L1490 I1502 Y1542 L1544 L1597 | A1482-L1486 WeakPolarHBondContact O-CB 3.46Å; A1482-L1486 PolarHBondContact O-N 3.23Å; I1483-L1486 PolarHBondContact O-N 3.1Å; L1486-T1488 VanDerWaalsContact C-N 3.32Å; L1486-T1488 PolarHBondContact O-N 3.44Å; L1486-T1489 PolarHBondContact O-N 3.33Å; L1486-L1490 HydrophobicContact CD1-CD1 3.78Å; L1486-L1490 HydrophobicContact CD1-CD2 4.37Å; L1486-L1490 HydrophobicContact CD1-CG 3.8Å; L1486-L1490 HydrophobicContact CG-CD1 3.87Å; L1486-L1490 HydrophobicContact CG-CG 4.31Å; L1486-L1490 WeakPolarHBondContact O-CB 3.42Å; L1486-L1490 VanDerWaalsContact O-CG 3.28Å; L1486-L1490 WeakPolarHBondContact O-CG 3.43Å; L1486-L1490 PolarHBondContact O-N 3.31Å; L1486-I1502 HydrophobicContact CD2-CD1 3.97Å; L1486-I1502 HydrophobicContact CD2-CG1 4.33Å; L1486-I1502 HydrophobicContact CD2-CG2 3.58Å; L1486-Y1542 HydrophobicContact CD1-CD1 3.54Å; L1486-Y1542 HydrophobicContact CD1-CE1 4.12Å; L1486-Y1542 HydrophobicContact CD1-CG 3.79Å; L1486-L1544 HydrophobicContact CD2-CD1 4.14Å; L1486-L1544 HydrophobicContact CD2-CG 4.31Å; L1486-L1597 HydrophobicContact CB-CD1 4.3Å; L1486-L1597 HydrophobicContact CB-CD2 3.86Å; L1486-L1597 HydrophobicContact CD1-CD1 3.8Å; L1486-L1597 HydrophobicContact CD1-CD2 4.14Å; L1486-L1597 HydrophobicContact CD2-CD1 4.37Å; L1486-L1597 HydrophobicContact CG-CD1 4.38Å |
| 1487 | H | 89.5 | Confident | 87.4 | Confident | 10 Ų | 10 | 38.6 Ų | 38.6 | 5% | 0.046 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.9 | -36.9 | 178.6 | -65.1 | 156.2 | 0 | 0 | 0 | 113 | I1483 V1484 T1485 R1491 L1517 W1523 Y1525 | I1483-H1487 VanDerWaalsContact CG1-CE1 3.43Å; I1483-H1487 WeakPolarHBondContact CG1-CE1 3.44Å; I1483-H1487 VanDerWaalsContact O-CG 3.25Å; I1483-H1487 PolarHBondContact O-N 3.41Å; I1483-H1487 PolarHBondContact O-ND1 3.09Å; V1484-H1487 PolarHBondContact O-N 2.86Å; T1485-H1487 VanDerWaalsContact C-N 3.3Å; T1485-H1487 PolarHBondContact O-N 3.26Å; H1487-R1491 WeakPolarHBondContact O-CB 3.49Å; H1487-R1491 VanDerWaalsContact O-CG 3.24Å; H1487-R1491 WeakPolarHBondContact O-CG 3.43Å; H1487-R1491 PolarHBondContact O-N 3.2Å; H1487-L1517 PolarHBondContact CE1-O 2.74Å; H1487-L1517 PolarHBondContact ND1-O 3.31Å; H1487-W1523 HydrophobicContact CB-CZ3 4.22Å; H1487-W1523 AromaticContact CD2-CE3 3.76Å; H1487-W1523 AromaticContact CD2-CZ3 3.32Å; H1487-W1523 WeakPolarHBondContact CD2-CZ3 3.5Å; H1487-W1523 AromaticContact CG-CZ3 3.9Å; H1487-Y1525 PolarHBondContact CE1-OH 2.88Å; H1487-Y1525 AromaticContact NE2-CE1 3.37Å; H1487-Y1525 WeakPolarHBondContact NE2-CE1 3.13Å; H1487-Y1525 AromaticContact NE2-CZ 3.49Å; H1487-Y1525 PolarHBondContact NE2-OH 2.89Å |
| 1488 | T | 87.4 | Confident | 87.1 | Confident | 76 Ų | 76 | 44 Ų | 44 | 47% | 0.466 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.9 | -41 | 174.2 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | V1484 T1485 L1486 R1491 A1492 | V1484-T1488 PolarHBondContact O-N 3.41Å; V1484-T1488 PolarHBondContact O-OG1 2.78Å; T1485-T1488 WeakPolarHBondContact CA-OG1 3.3Å; T1485-T1488 PolarHBondContact O-N 3.23Å; T1485-T1488 PolarHBondContact O-OG1 3.27Å; L1486-T1488 VanDerWaalsContact C-N 3.32Å; L1486-T1488 PolarHBondContact O-N 3.44Å; T1488-R1491 PolarHBondContact O-N 2.9Å; T1488-A1492 WeakPolarHBondContact O-CB 3.32Å; T1488-A1492 PolarHBondContact O-N 2.95Å |
| 1489 | T | 87.5 | Confident | 87 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 10% | 0.104 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.7 | -48.5 | 176.1 | -52.8 | 0 | 0 | 0 | 0 | 111.3 | T1485 L1486 R1491 A1492 E1493 L1565 | T1485-T1489 PolarHBondContact O-N 3.47Å; T1485-T1489 PolarHBondContact O-OG1 3.05Å; L1486-T1489 PolarHBondContact O-N 3.33Å; T1489-R1491 VanDerWaalsContact C-N 3.29Å; T1489-R1491 PolarHBondContact O-N 3.3Å; T1489-A1492 PolarHBondContact O-N 2.98Å; T1489-A1492 VanDerWaalsContact O-N 3.13Å; T1489-E1493 WeakPolarHBondContact O-CG 3.21Å; T1489-E1493 PolarHBondContact O-N 3.22Å; T1489-L1565 HydrophobicContact CG2-CD1 4.31Å |
| 1490 | L | 88.5 | Confident | 87 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -37 | 177.8 | -71.3 | 174.5 | 0 | 0 | 0 | 112.6 | L1486 G1494 L1495 V1500 I1502 W1523 Y1542 | L1486-L1490 HydrophobicContact CD1-CD1 3.78Å; L1486-L1490 HydrophobicContact CD1-CD2 4.37Å; L1486-L1490 HydrophobicContact CD1-CG 3.8Å; L1486-L1490 HydrophobicContact CG-CD1 3.87Å; L1486-L1490 HydrophobicContact CG-CG 4.31Å; L1486-L1490 WeakPolarHBondContact O-CB 3.42Å; L1486-L1490 VanDerWaalsContact O-CG 3.28Å; L1486-L1490 WeakPolarHBondContact O-CG 3.43Å; L1486-L1490 PolarHBondContact O-N 3.31Å; L1490-G1494 PolarHBondContact O-N 2.97Å; L1490-L1495 HydrophobicContact CD2-CB 4.35Å; L1490-L1495 HydrophobicContact CD2-CD1 3.76Å; L1490-L1495 WeakPolarHBondContact O-CB 3.23Å; L1490-L1495 PolarHBondContact O-N 2.88Å; L1490-V1500 HydrophobicContact CD2-CG1 4.16Å; L1490-V1500 HydrophobicContact CD2-CG2 4.44Å; L1490-I1502 HydrophobicContact CD1-CD1 3.9Å; L1490-W1523 HydrophobicContact CB-CH2 3.58Å; L1490-W1523 HydrophobicContact CB-CZ2 3.63Å; L1490-W1523 HydrophobicContact CB-CZ3 4.34Å; L1490-W1523 HydrophobicContact CD1-CD2 4.04Å; L1490-W1523 HydrophobicContact CD1-CE3 3.87Å; L1490-W1523 HydrophobicContact CD1-CH2 3.86Å; L1490-W1523 HydrophobicContact CD1-CZ2 3.97Å; L1490-W1523 HydrophobicContact CD1-CZ3 3.83Å; L1490-W1523 HydrophobicContact CG-CH2 4.38Å; L1490-W1523 HydrophobicContact CG-CZ2 4.41Å; L1490-Y1542 HydrophobicContact CD2-CD2 3.95Å; L1490-Y1542 HydrophobicContact CD2-CE1 4.02Å; L1490-Y1542 HydrophobicContact CD2-CE2 3.35Å |
| 1491 | R | 84.1 | Confident | 87.1 | Confident | 140 Ų | 140 | 54.5 Ų | 54.5 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.1 | -44.8 | 173.7 | -75.9 | 174.5 | -170.8 | 174.8 | 5 | 111.7 | H1487 T1488 T1489 E1493 G1494 S1496 W1523 | H1487-R1491 WeakPolarHBondContact O-CB 3.49Å; H1487-R1491 VanDerWaalsContact O-CG 3.24Å; H1487-R1491 WeakPolarHBondContact O-CG 3.43Å; H1487-R1491 PolarHBondContact O-N 3.2Å; T1488-R1491 PolarHBondContact O-N 2.9Å; T1489-R1491 VanDerWaalsContact C-N 3.29Å; T1489-R1491 PolarHBondContact O-N 3.3Å; R1491-E1493 VanDerWaalsContact C-N 3.27Å; R1491-E1493 PolarHBondContact O-N 3.25Å; R1491-G1494 PolarHBondContact O-N 3.41Å; R1491-S1496 WeakPolarHBondContact CG-OG 3.45Å; R1491-W1523 HydrophobicContact CG-CH2 4.48Å |
| 1492 | A | 85.9 | Confident | 87.2 | Confident | 89 Ų | 89 | 49.7 Ų | 49.7 | 74% | 0.736 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.1 | -33.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1488 T1489 G1494 | T1488-A1492 WeakPolarHBondContact O-CB 3.32Å; T1488-A1492 PolarHBondContact O-N 2.95Å; T1489-A1492 PolarHBondContact O-N 2.98Å; T1489-A1492 VanDerWaalsContact O-N 3.13Å; A1492-G1494 PolarHBondContact O-N 3.43Å |
| 1493 | E | 85.5 | Confident | 87.2 | Confident | 75 Ų | 75 | 49.8 Ų | 49.8 | 35% | 0.35 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 2.9 | 174.8 | -67.3 | -174.4 | 170 | 0 | 0 | 113.7 | T1489 R1491 L1495 Y1542 K1599 | T1489-E1493 WeakPolarHBondContact O-CG 3.21Å; T1489-E1493 PolarHBondContact O-N 3.22Å; R1491-E1493 VanDerWaalsContact C-N 3.27Å; R1491-E1493 PolarHBondContact O-N 3.25Å; E1493-L1495 VanDerWaalsContact C-N 3.26Å; E1493-L1495 HydrophobicContact CB-CD1 4.1Å; E1493-L1495 HydrophobicContact CB-CG 4.02Å; E1493-L1495 PolarHBondContact O-N 3.37Å; E1493-Y1542 PolarHBondContact OE2-OH 2.76Å; E1493-K1599 IonicContact OE1-NZ 3.66Å; E1493-K1599 PolarHBondContact OE1-NZ 2.86Å; E1493-K1599 IonicContact OE2-NZ 2.84Å; E1493-K1599 PolarHBondContact OE2-NZ 3.04Å |
| 1494 | G | 83.7 | Confident | 87.1 | Confident | 55 Ų | 55 | 49.8 Ų | 49.8 | 57% | 0.567 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 17.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1490 R1491 A1492 S1496 | L1490-G1494 PolarHBondContact O-N 2.97Å; R1491-G1494 PolarHBondContact O-N 3.41Å; A1492-G1494 PolarHBondContact O-N 3.43Å; G1494-S1496 VanDerWaalsContact C-N 3.28Å; G1494-S1496 PolarHBondContact O-N 3.09Å |
| 1495 | L | 84.6 | Confident | 86.9 | Confident | 33 Ų | 33 | 48.1 Ų | 48.1 | 17% | 0.173 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -87.8 | 11.1 | -176.2 | -60.4 | 177.2 | 0 | 0 | 0 | 113.8 | L1490 E1493 G1497 K1498 V1500 W1523 Y1542 | L1490-L1495 HydrophobicContact CD2-CB 4.35Å; L1490-L1495 HydrophobicContact CD2-CD1 3.76Å; L1490-L1495 WeakPolarHBondContact O-CB 3.23Å; L1490-L1495 PolarHBondContact O-N 2.88Å; E1493-L1495 VanDerWaalsContact C-N 3.26Å; E1493-L1495 HydrophobicContact CB-CD1 4.1Å; E1493-L1495 HydrophobicContact CB-CG 4.02Å; E1493-L1495 PolarHBondContact O-N 3.37Å; L1495-G1497 VanDerWaalsContact C-N 3.26Å; L1495-G1497 PolarHBondContact O-N 3.18Å; L1495-K1498 HydrophobicContact CD2-CD 3.9Å; L1495-K1498 PolarHBondContact O-N 3.24Å; L1495-V1500 HydrophobicContact CB-CG2 4.25Å; L1495-W1523 PolarHBondContact O-NE1 3.44Å; L1495-W1523 VanDerWaalsContact O-NE1 3.09Å; L1495-Y1542 HydrophobicContact CD1-CE2 4.47Å; L1495-Y1542 WeakPolarHBondContact CD1-OH 3.49Å |
| 1496 | S | 79.2 | Confident | 86.4 | Confident | 50 Ų | 50 | 49.5 Ų | 49.5 | 35% | 0.35 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -64 | -28.4 | -178.2 | -61.4 | 0 | 0 | 0 | 0 | 113.8 | R1491 G1494 N1520 | R1491-S1496 WeakPolarHBondContact CG-OG 3.45Å; G1494-S1496 VanDerWaalsContact C-N 3.28Å; G1494-S1496 PolarHBondContact O-N 3.09Å; S1496-N1520 PolarHBondContact O-ND2 3.07Å |
| 1497 | G | 80.9 | Confident | 86.1 | Confident | 62 Ų | 62 | 51.7 Ų | 51.7 | 64% | 0.639 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -100.7 | 6.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1495 | L1495-G1497 VanDerWaalsContact C-N 3.26Å; L1495-G1497 PolarHBondContact O-N 3.18Å |
| 1498 | K | 83.4 | Confident | 86 | Confident | 128 Ų | 128 | 51.2 Ų | 51.2 | 56% | 0.557 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -113 | 146.8 | -176.5 | -69.2 | -177.3 | 177.3 | 177.9 | 0 | 110.7 | L1495 V1500 W1523 | L1495-K1498 HydrophobicContact CD2-CD 3.9Å; L1495-K1498 PolarHBondContact O-N 3.24Å; K1498-V1500 PolarHBondContact O-N 3.47Å; K1498-W1523 PolarHBondContact O-NE1 3.31Å |
| 1499 | P | 87 | Confident | 85.7 | Confident | 110 Ų | 110 | 48.6 Ų | 48.6 | 71% | 0.714 | 29% | 0.288 | S | S | * | . | trans | -65.2 | 134 | 171 | 28.7 | -33 | 0 | 0 | 0 | 109.5 | L1522 | P1499-L1522 WeakPolarHBondContact CA-O 3.43Š| ||
| 1500 | V | 89.3 | Confident | 85.4 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 129.2 | 178.6 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | L1490 L1495 K1498 I1502 W1523 E1524 D1541 Y1542 | L1490-V1500 HydrophobicContact CD2-CG1 4.16Å; L1490-V1500 HydrophobicContact CD2-CG2 4.44Å; L1495-V1500 HydrophobicContact CB-CG2 4.25Å; K1498-V1500 PolarHBondContact O-N 3.47Å; V1500-I1502 HydrophobicContact CG1-CD1 4.44Å; V1500-I1502 HydrophobicContact CG1-CG1 3.95Å; V1500-W1523 HydrophobicContact CB-CG 4.22Å; V1500-W1523 CarbonylContact O-C 3.57Å; V1500-W1523 WeakPolarHBondContact O-CA 3.4Å; V1500-E1524 PolarHBondContact O-N 2.95Å; V1500-D1541 HydrophobicContact CG1-CB 4.04Å; V1500-Y1542 HydrophobicContact CG1-CD2 3.54Å; V1500-Y1542 HydrophobicContact CG1-CE2 3.74Å |
| 1501 | R | 91.5 | Very high | 85.3 | Confident | 105 Ų | 105 | 52.4 Ų | 52.4 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 119.5 | 176.7 | -61.1 | -170.9 | -63.1 | 176.7 | 1 | 109.8 | E1524 D1539 F1540 D1541 Y1542 | R1501-E1524 HydrophobicContact CG-CB 4.41Å; R1501-D1539 PolarHBondContact NH2-O 3.38Å; R1501-F1540 HydrophobicContact CB-CD1 3.86Å; R1501-F1540 HydrophobicContact CB-CE1 4.5Å; R1501-D1541 PolarHBondContact N-OD2 3.48Å; R1501-D1541 PolarHBondContact O-N 3.37Å; R1501-Y1542 PolarHBondContact O-N 3.25Å |
| 1502 | I | 91.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 119.9 | -174.6 | -56.3 | 167.7 | 0 | 0 | 0 | 108 | L1486 L1490 V1500 I1504 W1523 E1524 Y1525 N1526 Y1542 | L1486-I1502 HydrophobicContact CD2-CD1 3.97Å; L1486-I1502 HydrophobicContact CD2-CG1 4.33Å; L1486-I1502 HydrophobicContact CD2-CG2 3.58Å; L1490-I1502 HydrophobicContact CD1-CD1 3.9Å; V1500-I1502 HydrophobicContact CG1-CD1 4.44Å; V1500-I1502 HydrophobicContact CG1-CG1 3.95Å; I1502-I1504 HydrophobicContact CG2-CG1 4.12Å; I1502-W1523 HydrophobicContact CD1-CB 4.14Å; I1502-W1523 HydrophobicContact CD1-CE3 4.47Å; I1502-E1524 PolarHBondContact N-O 3.31Å; I1502-Y1525 HydrophobicContact CB-CD1 4.16Å; I1502-Y1525 HydrophobicContact CD1-CD1 3.9Å; I1502-Y1525 HydrophobicContact CD1-CE1 3.6Å; I1502-Y1525 HydrophobicContact CG2-CD1 4.3Å; I1502-Y1525 WeakPolarHBondContact O-CA 3.19Å; I1502-N1526 PolarHBondContact O-N 2.87Å; I1502-Y1542 WeakPolarHBondContact CA-O 3.17Å |
| 1503 | H | 90.5 | Very high | 85.4 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.009 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 133.6 | 169.1 | -179.1 | 71 | 0 | 0 | 0 | 110.5 | N1526 K1537 F1540 Y1542 L1543 L1544 | H1503-N1526 WeakPolarHBondContact CA-O 3.39Å; H1503-N1526 PolarHBondContact ND1-O 3.42Å; H1503-N1526 PolarHBondContact ND1-OD1 2.79Å; H1503-K1537 WeakPolarHBondContact NE2-CD 3.23Å; H1503-K1537 WeakPolarHBondContact NE2-CE 3.3Å; H1503-K1537 PolarHBondContact NE2-NZ 3.18Å; H1503-F1540 HydrophobicContact CB-CB 4.1Å; H1503-F1540 HydrophobicContact CB-CD1 3.79Å; H1503-F1540 HydrophobicContact CB-CD2 3.75Å; H1503-F1540 HydrophobicContact CB-CE1 4.15Å; H1503-F1540 HydrophobicContact CB-CE2 4.09Å; H1503-F1540 HydrophobicContact CB-CG 3.59Å; H1503-F1540 HydrophobicContact CB-CZ 4.28Å; H1503-Y1542 PolarHBondContact N-O 2.94Å; H1503-L1543 HydrophobicContact CB-CD2 3.72Å; H1503-L1544 PolarHBondContact O-N 3.27Å |
| 1504 | I | 88.9 | Confident | 85.5 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 112 | 179.3 | -48.9 | -178.1 | 0 | 0 | 0 | 107.7 | I1483 I1502 C1508 A1509 V1513 Y1525 N1526 K1527 L1544 | I1483-I1504 HydrophobicContact CD1-CD1 3.97Å; I1502-I1504 HydrophobicContact CG2-CG1 4.12Å; I1504-C1508 HydrophobicContact CG2-CB 3.74Å; I1504-A1509 HydrophobicContact CG2-CB 4.47Å; I1504-V1513 HydrophobicContact CD1-CG1 3.91Å; I1504-V1513 HydrophobicContact CG2-CG1 4.42Å; I1504-V1513 HydrophobicContact CG2-CG2 4.45Å; I1504-Y1525 HydrophobicContact CD1-CD1 4.05Å; I1504-N1526 PolarHBondContact N-O 2.81Å; I1504-K1527 HydrophobicContact CB-CG 4.17Å; I1504-L1544 HydrophobicContact CG1-CD1 4.3Å; I1504-L1544 HydrophobicContact CG2-CB 4.47Å; I1504-L1544 HydrophobicContact CG2-CD1 4.47Å |
| 1505 | D | 84.7 | Confident | 85.5 | Confident | 25 Ų | 25 | 37 Ų | 37 | 13% | 0.134 | 21% | 0.209 | C | C | . | . | trans | -65.5 | 156.2 | 179.2 | -166.5 | 52.8 | 0 | 0 | 0 | 111.9 | Y1507 C1508 A1509 K1537 L1544 G1546 | D1505-Y1507 VanDerWaalsContact C-N 3.32Å; D1505-Y1507 PolarHBondContact O-N 3.22Å; D1505-C1508 WeakPolarHBondContact O-CB 3.45Å; D1505-C1508 PolarHBondContact O-N 2.97Å; D1505-A1509 PolarHBondContact O-N 2.87Å; D1505-K1537 IonicContact OD1-NZ 3.4Å; D1505-K1537 PolarHBondContact OD1-NZ 3.41Å; D1505-L1544 WeakPolarHBondContact CB-O 3.23Å; D1505-L1544 PolarHBondContact N-O 3.11Å; D1505-G1546 PolarHBondContact OD2-N 3.23Å | ||
| 1506 | S | 80 | Confident | 85.7 | Confident | 56 Ų | 56 | 35.5 Ų | 35.5 | 39% | 0.392 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -56.3 | -46.1 | -174.8 | 54.7 | 0 | 0 | 0 | 0 | 111.5 | C1508 A1509 E1510 | S1506-C1508 VanDerWaalsContact C-N 3.3Å; S1506-C1508 PolarHBondContact O-N 3.06Å; S1506-A1509 CarbonylContact O-C 3.44Å; S1506-A1509 WeakPolarHBondContact O-CA 3.27Å; S1506-A1509 WeakPolarHBondContact O-CB 3.48Å; S1506-A1509 PolarHBondContact O-N 2.86Å; S1506-E1510 VanDerWaalsContact O-CG 3.28Å; S1506-E1510 WeakPolarHBondContact O-CG 3.35Å; S1506-E1510 PolarHBondContact O-N 3.41Å |
| 1507 | Y | 84.4 | Confident | 86.2 | Confident | 45 Ų | 45 | 33.3 Ų | 33.3 | 18% | 0.176 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.7 | -37.9 | 178.2 | -175.6 | -95.2 | 0 | 0 | 0 | 112.9 | D1505 E1510 T1511 S1548 R1594 V1595 | D1505-Y1507 VanDerWaalsContact C-N 3.32Å; D1505-Y1507 PolarHBondContact O-N 3.22Å; Y1507-E1510 PolarHBondContact O-N 3.23Å; Y1507-T1511 HydrophobicContact CD1-CG2 4.24Å; Y1507-T1511 HydrophobicContact CD2-CG2 4.44Å; Y1507-T1511 HydrophobicContact CE1-CG2 3.83Å; Y1507-T1511 HydrophobicContact CE2-CG2 4.03Å; Y1507-T1511 WeakPolarHBondContact O-CB 3.11Å; Y1507-T1511 VanDerWaalsContact O-CG2 3.3Å; Y1507-T1511 WeakPolarHBondContact O-CG2 3.28Å; Y1507-T1511 PolarHBondContact O-N 3.45Å; Y1507-T1511 VanDerWaalsContact O-N 3.1Å; Y1507-T1511 PolarHBondContact O-OG1 3.35Å; Y1507-S1548 VanDerWaalsContact CE2-CA 3.46Å; Y1507-R1594 HydrophobicContact CE1-CB 3.79Å; Y1507-V1595 HydrophobicContact CD1-CG2 4.01Å; Y1507-V1595 HydrophobicContact CE1-CG2 4.01Å |
| 1508 | C | 86.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 174.3 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | I1504 D1505 S1506 E1510 T1511 V1513 L1544 V1595 | I1504-C1508 HydrophobicContact CG2-CB 3.74Å; D1505-C1508 WeakPolarHBondContact O-CB 3.45Å; D1505-C1508 PolarHBondContact O-N 2.97Å; S1506-C1508 VanDerWaalsContact C-N 3.3Å; S1506-C1508 PolarHBondContact O-N 3.06Å; C1508-E1510 VanDerWaalsContact C-N 3.28Å; C1508-E1510 PolarHBondContact O-N 3.2Å; C1508-T1511 PolarHBondContact O-N 3.18Å; C1508-T1511 PolarHBondContact O-OG1 3.42Å; C1508-V1513 VanDerWaalsContact O-CG2 3.31Å; C1508-V1513 WeakPolarHBondContact O-CG2 3.45Å; C1508-L1544 HydrophobicContact CB-CB 4.32Å; C1508-L1544 PolarHBondContact SG-O 2.81Å; C1508-V1595 VanDerWaalsContact SG-CG1 3.54Å |
| 1509 | A | 81.6 | Confident | 86.4 | Confident | 22 Ų | 22 | 27.5 Ų | 27.5 | 18% | 0.182 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.6 | -40.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1504 D1505 S1506 T1511 K1527 | I1504-A1509 HydrophobicContact CG2-CB 4.47Å; D1505-A1509 PolarHBondContact O-N 2.87Å; S1506-A1509 CarbonylContact O-C 3.44Å; S1506-A1509 WeakPolarHBondContact O-CA 3.27Å; S1506-A1509 WeakPolarHBondContact O-CB 3.48Å; S1506-A1509 PolarHBondContact O-N 2.86Å; A1509-T1511 VanDerWaalsContact C-N 3.32Å; A1509-T1511 PolarHBondContact O-N 3.32Å; A1509-K1527 HydrophobicContact CB-CD 4.42Å |
| 1510 | E | 81.4 | Confident | 86.3 | Confident | 82 Ų | 82 | 23.5 Ų | 23.5 | 38% | 0.383 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -71.3 | -25.1 | 180 | -68.4 | -176.7 | 176.5 | 0 | 0 | 114 | K1138 V1139 S1506 Y1507 C1508 | K1138-E1510 WeakPolarHBondContact CA-O 3.17Å; K1138-E1510 WeakPolarHBondContact CG-O 3.43Å; V1139-E1510 HydrophobicContact CB-CB 3.95Å; V1139-E1510 HydrophobicContact CB-CG 3.73Å; V1139-E1510 HydrophobicContact CG1-CG 4.19Å; V1139-E1510 HydrophobicContact CG2-CB 4.34Å; V1139-E1510 HydrophobicContact CG2-CG 3.7Å; V1139-E1510 PolarHBondContact N-O 3.08Å; V1139-E1510 VanDerWaalsContact N-O 3.09Å; S1506-E1510 VanDerWaalsContact O-CG 3.28Å; S1506-E1510 WeakPolarHBondContact O-CG 3.35Å; S1506-E1510 PolarHBondContact O-N 3.41Å; Y1507-E1510 PolarHBondContact O-N 3.23Å; C1508-E1510 VanDerWaalsContact C-N 3.28Å; C1508-E1510 PolarHBondContact O-N 3.2Å |
| 1511 | T | 86 | Confident | 85.7 | Confident | 14 Ų | 14 | 29.3 Ų | 29.3 | 9% | 0.086 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 32.6 | -172.2 | 57.8 | 0 | 0 | 0 | 0 | 114 | Y1477 G1479 G1480 Y1507 C1508 A1509 | Y1477-T1511 CarbonylContact C-O 3.54Å; Y1477-T1511 WeakPolarHBondContact CA-O 3.45Å; G1479-T1511 WeakPolarHBondContact CA-OG1 3.3Å; G1479-T1511 PolarHBondContact N-O 3.42Å; G1479-T1511 VanDerWaalsContact N-O 3.14Å; G1479-T1511 PolarHBondContact N-OG1 3.11Å; G1480-T1511 PolarHBondContact N-O 2.88Å; Y1507-T1511 HydrophobicContact CD1-CG2 4.24Å; Y1507-T1511 HydrophobicContact CD2-CG2 4.44Å; Y1507-T1511 HydrophobicContact CE1-CG2 3.83Å; Y1507-T1511 HydrophobicContact CE2-CG2 4.03Å; Y1507-T1511 WeakPolarHBondContact O-CB 3.11Å; Y1507-T1511 VanDerWaalsContact O-CG2 3.3Å; Y1507-T1511 WeakPolarHBondContact O-CG2 3.28Å; Y1507-T1511 PolarHBondContact O-N 3.45Å; Y1507-T1511 VanDerWaalsContact O-N 3.1Å; Y1507-T1511 PolarHBondContact O-OG1 3.35Å; C1508-T1511 PolarHBondContact O-N 3.18Å; C1508-T1511 PolarHBondContact O-OG1 3.42Å; A1509-T1511 VanDerWaalsContact C-N 3.32Å; A1509-T1511 PolarHBondContact O-N 3.32Å |
| 1512 | G | 85.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 135.5 | -10 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | T1137 L1517 | T1137-G1512 WeakPolarHBondContact O-CA 3.46Å; T1137-G1512 PolarHBondContact O-N 3.49Å; G1512-L1517 WeakPolarHBondContact O-CD1 3.41Å |
| 1513 | V | 86.8 | Confident | 85.3 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | trans | -90.5 | 113.4 | -169.1 | -179.1 | 0 | 0 | 0 | 0 | 113 | G1479 I1483 I1504 C1508 K1527 | G1479-V1513 WeakPolarHBondContact O-CG2 3.37Å; I1483-V1513 HydrophobicContact CB-CG2 4.03Å; I1483-V1513 HydrophobicContact CD1-CG1 3.47Å; I1483-V1513 VanDerWaalsContact CD1-CG1 3.47Å; I1483-V1513 HydrophobicContact CD1-CG2 4.49Å; I1483-V1513 HydrophobicContact CG2-CG1 4.39Å; I1483-V1513 HydrophobicContact CG2-CG2 3.84Å; I1504-V1513 HydrophobicContact CD1-CG1 3.91Å; I1504-V1513 HydrophobicContact CG2-CG1 4.42Å; I1504-V1513 HydrophobicContact CG2-CG2 4.45Å; C1508-V1513 VanDerWaalsContact O-CG2 3.31Å; C1508-V1513 WeakPolarHBondContact O-CG2 3.45Å; V1513-K1527 PolarHBondContact O-NZ 2.92Å | ||
| 1514 | T | 87.3 | Confident | 85.1 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | trans | -114.8 | 168.7 | 178 | 73.7 | 0 | 0 | 0 | 0 | 112.3 | T1137 M1145 Q1202 F1516 L1517 | T1137-T1514 WeakPolarHBondContact OG1-CG2 3.49Å; M1145-T1514 HydrophobicContact CG-CG2 4.18Å; Q1202-T1514 PolarHBondContact OE1-OG1 3.29Å; T1514-F1516 PolarHBondContact O-N 3.32Å; T1514-F1516 PolarHBondContact OG1-N 2.88Å; T1514-L1517 PolarHBondContact O-N 2.75Å; T1514-L1517 PolarHBondContact OG1-N 3.19Å | ||
| 1515 | R | 85.1 | Confident | 85 | Confident | 30 Ų | 30 | 35.9 Ų | 35.9 | 11% | 0.113 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -62.3 | -25.6 | 170 | -75.9 | -171.8 | 169.3 | -159.5 | -5.6 | 113.3 | H1149 D1150 K1160 D1162 L1517 Q1518 | H1149-R1515 HydrophobicContact CB-CB 4.34Å; D1150-R1515 WeakPolarHBondContact OD1-CD 3.4Å; D1150-R1515 IonicContact OD1-CZ 3.24Å; D1150-R1515 IonicContact OD1-NE 2.75Å; D1150-R1515 IonicContact OD1-NH1 2.93Å; D1150-R1515 PolarHBondContact OD1-NH1 3.05Å; D1150-R1515 IonicContact OD2-NH1 3.14Å; D1150-R1515 PolarHBondContact OD2-NH1 3.17Å; K1160-R1515 PolarHBondContact O-NH1 3.2Å; D1162-R1515 VanDerWaalsContact CA-NH2 3.31Å; D1162-R1515 VanDerWaalsContact CG-CZ 3.43Å; D1162-R1515 VanDerWaalsContact CG-NH2 3.33Å; D1162-R1515 IonicContact OD1-CZ 3.43Å; D1162-R1515 IonicContact OD1-NE 3.13Å; D1162-R1515 PolarHBondContact OD1-NE 3.34Å; D1162-R1515 VanDerWaalsContact OD1-NE 3.09Å; D1162-R1515 IonicContact OD1-NH2 3.19Å; D1162-R1515 PolarHBondContact OD1-NH2 3.05Å; D1162-R1515 IonicContact OD2-NE 3.92Å; D1162-R1515 PolarHBondContact OD2-NE 3.33Å; R1515-L1517 PolarHBondContact O-N 3.5Å; R1515-Q1518 WeakPolarHBondContact O-CB 3.15Å; R1515-Q1518 PolarHBondContact O-N 3.05Å; R1515-Q1518 VanDerWaalsContact O-N 3.14Å |
| 1516 | F | 88.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -66.8 | -23.8 | 172.1 | -75.7 | -76.3 | 0 | 0 | 0 | 112.8 | M1145 V1148 H1149 L1152 F1153 K1198 P1199 L1201 Q1202 T1514 | M1145-F1516 HydrophobicContact CG-CD2 3.96Å; M1145-F1516 HydrophobicContact CG-CE2 4.07Å; M1145-F1516 WeakPolarHBondContact O-CE2 3.35Å; M1145-F1516 HydrophobicContact SD-CD2 3.92Å; M1145-F1516 HydrophobicContact SD-CE2 3.65Å; V1148-F1516 HydrophobicContact CG1-CZ 4.19Å; H1149-F1516 HydrophobicContact CB-CD2 3.94Å; H1149-F1516 HydrophobicContact CB-CE1 4.23Å; H1149-F1516 HydrophobicContact CB-CE2 3.6Å; H1149-F1516 HydrophobicContact CB-CG 4.39Å; H1149-F1516 HydrophobicContact CB-CZ 3.75Å; H1149-F1516 AromaticContact CD2-CD1 3.97Å; L1152-F1516 HydrophobicContact CD1-CE1 4.29Å; L1152-F1516 HydrophobicContact CD1-CZ 4.15Å; F1153-F1516 HydrophobicContact CE2-CD1 4.17Å; F1153-F1516 AromaticContact CE2-CE1 3.84Å; F1153-F1516 HydrophobicContact CE2-CE1 3.84Å; K1198-F1516 CarbonylContact C-O 3.51Å; K1198-F1516 HydrophobicContact CB-CB 4.47Å; K1198-F1516 HydrophobicContact CB-CD1 4.29Å; K1198-F1516 WeakPolarHBondContact CB-O 3.46Å; K1198-F1516 VanDerWaalsContact O-CD1 3.32Å; K1198-F1516 WeakPolarHBondContact O-CD1 3.33Å; P1199-F1516 WeakPolarHBondContact CD-O 3.45Å; L1201-F1516 HydrophobicContact CB-CD1 4.07Å; L1201-F1516 HydrophobicContact CB-CE1 3.76Å; Q1202-F1516 HydrophobicContact CB-CB 3.73Å; Q1202-F1516 HydrophobicContact CB-CD1 4.37Å; Q1202-F1516 HydrophobicContact CB-CD2 3.91Å; Q1202-F1516 HydrophobicContact CB-CG 3.79Å; Q1202-F1516 HydrophobicContact CG-CD2 4.45Å; T1514-F1516 PolarHBondContact O-N 3.32Å; T1514-F1516 PolarHBondContact OG1-N 2.88Å |
| 1517 | L | 88.7 | Confident | 85 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -82.9 | -16 | 174.7 | -58.6 | -177 | 0 | 0 | 0 | 112.1 | F1136 P1199 I1483 H1487 G1512 T1514 R1515 V1519 | F1136-L1517 HydrophobicContact CD1-CD1 3.82Å; F1136-L1517 HydrophobicContact CE1-CD1 3.87Å; F1136-L1517 HydrophobicContact CE1-CD2 4.43Å; P1199-L1517 HydrophobicContact CB-CD2 3.95Å; P1199-L1517 HydrophobicContact CG-CD2 3.92Å; I1483-L1517 HydrophobicContact CD1-CB 4.34Å; I1483-L1517 HydrophobicContact CG2-CB 4.07Å; I1483-L1517 HydrophobicContact CG2-CD1 3.59Å; I1483-L1517 HydrophobicContact CG2-CG 4.47Å; H1487-L1517 PolarHBondContact CE1-O 2.74Å; H1487-L1517 PolarHBondContact ND1-O 3.31Å; G1512-L1517 WeakPolarHBondContact O-CD1 3.41Å; T1514-L1517 PolarHBondContact O-N 2.75Å; T1514-L1517 PolarHBondContact OG1-N 3.19Å; R1515-L1517 PolarHBondContact O-N 3.5Å; L1517-V1519 PolarHBondContact O-N 2.89Å |
| 1518 | Q | 86.4 | Confident | 84.4 | Confident | 32 Ų | 32 | 34.5 Ų | 34.5 | 15% | 0.15 | 19% | 0.186 | C | C | . | . | trans | -77.5 | 86 | 175.1 | -64.1 | 174.5 | -14.7 | 0 | 0 | 110.4 | K1198 R1515 Y1525 | K1198-Q1518 WeakPolarHBondContact CD-O 3.22Å; K1198-Q1518 PolarHBondContact NZ-O 3.38Å; R1515-Q1518 WeakPolarHBondContact O-CB 3.15Å; R1515-Q1518 PolarHBondContact O-N 3.05Å; R1515-Q1518 VanDerWaalsContact O-N 3.14Å; Q1518-Y1525 HydrophobicContact CB-CD2 3.85Å; Q1518-Y1525 HydrophobicContact CB-CE2 3.6Å; Q1518-Y1525 HydrophobicContact CB-CG 4.44Å; Q1518-Y1525 HydrophobicContact CG-CD1 4.08Å; Q1518-Y1525 HydrophobicContact CG-CD2 3.67Å; Q1518-Y1525 HydrophobicContact CG-CE1 4.19Å; Q1518-Y1525 HydrophobicContact CG-CE2 3.83Å; Q1518-Y1525 HydrophobicContact CG-CG 3.77Å; Q1518-Y1525 VanDerWaalsContact NE2-CB 3.34Å | ||
| 1519 | V | 82.9 | Confident | 83.5 | Confident | 37 Ų | 37 | 41.5 Ų | 41.5 | 22% | 0.224 | 22% | 0.218 | C | C | . | . | trans | -84.4 | -28 | -168 | -70.8 | 0 | 0 | 0 | 0 | 114 | P1199 L1517 W1523 | P1199-V1519 HydrophobicContact CG-CG1 4.1Å; L1517-V1519 PolarHBondContact O-N 2.89Å; V1519-W1523 HydrophobicContact CG2-CZ3 4.4Å | ||
| 1520 | N | 83.4 | Confident | 82.8 | Confident | 25 Ų | 25 | 44.7 Ų | 44.7 | 13% | 0.134 | 24% | 0.239 | C | C | . | . | trans | -110.1 | 119.5 | -174.1 | -166 | -20.9 | 0 | 0 | 0 | 111 | S1496 L1522 W1523 | S1496-N1520 PolarHBondContact O-ND2 3.07Å; N1520-L1522 VanDerWaalsContact C-N 3.25Å; N1520-L1522 PolarHBondContact O-N 3Å; N1520-L1522 PolarHBondContact OD1-N 3.26Å; N1520-W1523 HydrophobicContact CB-CB 4.34Å; N1520-W1523 HydrophobicContact CB-CD2 3.45Å; N1520-W1523 VanDerWaalsContact CB-CD2 3.45Å; N1520-W1523 HydrophobicContact CB-CE3 3.43Å; N1520-W1523 VanDerWaalsContact CB-CE3 3.43Å; N1520-W1523 HydrophobicContact CB-CG 3.86Å; N1520-W1523 HydrophobicContact CB-CH2 4.33Å; N1520-W1523 HydrophobicContact CB-CZ2 4.38Å; N1520-W1523 HydrophobicContact CB-CZ3 3.86Å; N1520-W1523 WeakPolarHBondContact ND2-CZ2 3.46Å; N1520-W1523 PolarHBondContact ND2-NE1 3.3Å; N1520-W1523 PolarHBondContact O-N 2.86Å | ||
| 1521 | P | 78.5 | Confident | 82.3 | Confident | 128 Ų | 128 | 42.2 Ų | 42.2 | 83% | 0.831 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -16.3 | 179.5 | 29.5 | -36 | 0 | 0 | 0 | 114.2 | W1523 | P1521-W1523 VanDerWaalsContact C-N 3.32Š|
| 1522 | L | 84.3 | Confident | 81.4 | Confident | 92 Ų | 92 | 48.2 Ų | 48.2 | 48% | 0.482 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -17.3 | 175.5 | -65.8 | 175 | 0 | 0 | 0 | 112.9 | P1499 N1520 | P1499-L1522 WeakPolarHBondContact CA-O 3.43Å; N1520-L1522 VanDerWaalsContact C-N 3.25Å; N1520-L1522 PolarHBondContact O-N 3Å; N1520-L1522 PolarHBondContact OD1-N 3.26Å |
| 1523 | W | 89.6 | Confident | 80.8 | Confident | 10 Ų | 10 | 53.2 Ų | 53.2 | 4% | 0.038 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 128.3 | -179.7 | -60.2 | -16.7 | 0 | 0 | 0 | 109.5 | H1487 L1490 R1491 L1495 K1498 V1500 I1502 V1519 N1520 P1521 Y1525 | H1487-W1523 HydrophobicContact CB-CZ3 4.22Å; H1487-W1523 AromaticContact CD2-CE3 3.76Å; H1487-W1523 AromaticContact CD2-CZ3 3.32Å; H1487-W1523 WeakPolarHBondContact CD2-CZ3 3.5Å; H1487-W1523 AromaticContact CG-CZ3 3.9Å; L1490-W1523 HydrophobicContact CB-CH2 3.58Å; L1490-W1523 HydrophobicContact CB-CZ2 3.63Å; L1490-W1523 HydrophobicContact CB-CZ3 4.34Å; L1490-W1523 HydrophobicContact CD1-CD2 4.04Å; L1490-W1523 HydrophobicContact CD1-CE3 3.87Å; L1490-W1523 HydrophobicContact CD1-CH2 3.86Å; L1490-W1523 HydrophobicContact CD1-CZ2 3.97Å; L1490-W1523 HydrophobicContact CD1-CZ3 3.83Å; L1490-W1523 HydrophobicContact CG-CH2 4.38Å; L1490-W1523 HydrophobicContact CG-CZ2 4.41Å; R1491-W1523 HydrophobicContact CG-CH2 4.48Å; L1495-W1523 PolarHBondContact O-NE1 3.44Å; L1495-W1523 VanDerWaalsContact O-NE1 3.09Å; K1498-W1523 PolarHBondContact O-NE1 3.31Å; V1500-W1523 HydrophobicContact CB-CG 4.22Å; V1500-W1523 CarbonylContact O-C 3.57Å; V1500-W1523 WeakPolarHBondContact O-CA 3.4Å; I1502-W1523 HydrophobicContact CD1-CB 4.14Å; I1502-W1523 HydrophobicContact CD1-CE3 4.47Å; V1519-W1523 HydrophobicContact CG2-CZ3 4.4Å; N1520-W1523 HydrophobicContact CB-CB 4.34Å; N1520-W1523 HydrophobicContact CB-CD2 3.45Å; N1520-W1523 VanDerWaalsContact CB-CD2 3.45Å; N1520-W1523 HydrophobicContact CB-CE3 3.43Å; N1520-W1523 VanDerWaalsContact CB-CE3 3.43Å; N1520-W1523 HydrophobicContact CB-CG 3.86Å; N1520-W1523 HydrophobicContact CB-CH2 4.33Å; N1520-W1523 HydrophobicContact CB-CZ2 4.38Å; N1520-W1523 HydrophobicContact CB-CZ3 3.86Å; N1520-W1523 WeakPolarHBondContact ND2-CZ2 3.46Å; N1520-W1523 PolarHBondContact ND2-NE1 3.3Å; N1520-W1523 PolarHBondContact O-N 2.86Å; P1521-W1523 VanDerWaalsContact C-N 3.32Å; W1523-Y1525 HydrophobicContact CB-CE2 3.92Å; W1523-Y1525 VanDerWaalsContact O-CD2 3.29Å; W1523-Y1525 WeakPolarHBondContact O-CD2 3.39Å; W1523-Y1525 WeakPolarHBondContact O-CE2 3.21Å |
| 1524 | E | 86.5 | Confident | 79.9 | Confident | 111 Ų | 111 | 55.1 Ų | 55.1 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 111.6 | 179.8 | -172.3 | -175.6 | 172.3 | 0 | 0 | 108.7 | V1500 R1501 I1502 | V1500-E1524 PolarHBondContact O-N 2.95Å; R1501-E1524 HydrophobicContact CG-CB 4.41Å; I1502-E1524 PolarHBondContact N-O 3.31Å |
| 1525 | Y | 86.8 | Confident | 79.4 | Confident | 34 Ų | 34 | 62.2 Ų | 62.2 | 13% | 0.133 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 110.5 | 179.3 | -58.7 | -88.6 | 0 | 0 | 0 | 110 | I1483 H1487 I1502 I1504 Q1518 W1523 | I1483-Y1525 HydrophobicContact CD1-CE1 4.26Å; H1487-Y1525 PolarHBondContact CE1-OH 2.88Å; H1487-Y1525 AromaticContact NE2-CE1 3.37Å; H1487-Y1525 WeakPolarHBondContact NE2-CE1 3.13Å; H1487-Y1525 AromaticContact NE2-CZ 3.49Å; H1487-Y1525 PolarHBondContact NE2-OH 2.89Å; I1502-Y1525 HydrophobicContact CB-CD1 4.16Å; I1502-Y1525 HydrophobicContact CD1-CD1 3.9Å; I1502-Y1525 HydrophobicContact CD1-CE1 3.6Å; I1502-Y1525 HydrophobicContact CG2-CD1 4.3Å; I1502-Y1525 WeakPolarHBondContact O-CA 3.19Å; I1504-Y1525 HydrophobicContact CD1-CD1 4.05Å; Q1518-Y1525 HydrophobicContact CB-CD2 3.85Å; Q1518-Y1525 HydrophobicContact CB-CE2 3.6Å; Q1518-Y1525 HydrophobicContact CB-CG 4.44Å; Q1518-Y1525 HydrophobicContact CG-CD1 4.08Å; Q1518-Y1525 HydrophobicContact CG-CD2 3.67Å; Q1518-Y1525 HydrophobicContact CG-CE1 4.19Å; Q1518-Y1525 HydrophobicContact CG-CE2 3.83Å; Q1518-Y1525 HydrophobicContact CG-CG 3.77Å; Q1518-Y1525 VanDerWaalsContact NE2-CB 3.34Å; W1523-Y1525 HydrophobicContact CB-CE2 3.92Å; W1523-Y1525 VanDerWaalsContact O-CD2 3.29Å; W1523-Y1525 WeakPolarHBondContact O-CD2 3.39Å; W1523-Y1525 WeakPolarHBondContact O-CE2 3.21Å |
| 1526 | N | 83.7 | Confident | 79 | Confident | 31 Ų | 31 | 64.9 Ų | 64.9 | 17% | 0.166 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125.2 | 178.5 | -175.6 | -63.1 | 0 | 0 | 0 | 110.6 | I1502 H1503 I1504 S1528 F1540 | I1502-N1526 PolarHBondContact O-N 2.87Å; H1503-N1526 WeakPolarHBondContact CA-O 3.39Å; H1503-N1526 PolarHBondContact ND1-O 3.42Å; H1503-N1526 PolarHBondContact ND1-OD1 2.79Å; I1504-N1526 PolarHBondContact N-O 2.81Å; N1526-S1528 PolarHBondContact ND2-OG 2.92Å; N1526-S1528 VanDerWaalsContact OD1-CB 3.27Å; N1526-S1528 WeakPolarHBondContact OD1-CB 3.49Å; N1526-S1528 PolarHBondContact OD1-N 2.81Å; N1526-S1528 PolarHBondContact OD1-OG 2.91Å; N1526-F1540 HydrophobicContact CB-CE1 3.48Å; N1526-F1540 VanDerWaalsContact CB-CE1 3.48Å; N1526-F1540 HydrophobicContact CB-CZ 3.76Å |
| 1527 | K | 80.1 | Confident | 78.6 | Confident | 26 Ų | 26 | 65.5 Ų | 65.5 | 11% | 0.113 | 35% | 0.347 | C | S | . | . | trans | -116.3 | 19 | 175.9 | -64 | -177.4 | 179.8 | -175.8 | 0 | 112.6 | F1166 I1504 A1509 V1513 E1529 | F1166-K1527 HydrophobicContact CZ-CB 3.97Å; I1504-K1527 HydrophobicContact CB-CG 4.17Å; A1509-K1527 HydrophobicContact CB-CD 4.42Å; V1513-K1527 PolarHBondContact O-NZ 2.92Å; K1527-E1529 PolarHBondContact O-N 2.85Å; K1527-E1529 VanDerWaalsContact O-N 3.11Å | ||
| 1528 | S | 72.5 | Confident | 78.2 | Confident | 40 Ų | 40 | 68 Ų | 68 | 28% | 0.28 | 36% | 0.359 | S | S | . | . | trans | -63.5 | 115.1 | -171.1 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | N1526 S1530 L1531 | N1526-S1528 PolarHBondContact ND2-OG 2.92Å; N1526-S1528 VanDerWaalsContact OD1-CB 3.27Å; N1526-S1528 WeakPolarHBondContact OD1-CB 3.49Å; N1526-S1528 PolarHBondContact OD1-N 2.81Å; N1526-S1528 PolarHBondContact OD1-OG 2.91Å; S1528-S1530 PolarHBondContact O-N 3.39Å; S1528-L1531 PolarHBondContact O-N 3.4Å | ||
| 1529 | E | 68 | Low | 78.1 | Confident | 146 Ų | 146 | 71 Ų | 71 | 68% | 0.682 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -17.5 | 175.2 | -65 | -179.8 | -175.2 | 0 | 0 | 112.5 | K1527 L1531 | K1527-E1529 PolarHBondContact O-N 2.85Å; K1527-E1529 VanDerWaalsContact O-N 3.11Å; E1529-L1531 PolarHBondContact O-N 3.44Å |
| 1530 | S | 66.9 | Low | 78.3 | Confident | 89 Ų | 89 | 70.2 Ų | 70.2 | 62% | 0.622 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -15.9 | 178.7 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | S1528 I1532 | S1528-S1530 PolarHBondContact O-N 3.39Å; S1530-I1532 VanDerWaalsContact C-N 3.31Å; S1530-I1532 PolarHBondContact O-N 2.78Å; S1530-I1532 VanDerWaalsContact O-N 3.08Å |
| 1531 | L | 70 | Confident | 78.7 | Confident | 30 Ų | 30 | 71.7 Ų | 71.7 | 16% | 0.157 | 38% | 0.378 | C | S | . | . | trans | -83.9 | 76.2 | 178 | -60.3 | 173.1 | 0 | 0 | 0 | 109.2 | S1528 E1529 Q1536 K1537 F1540 | S1528-L1531 PolarHBondContact O-N 3.4Å; E1529-L1531 PolarHBondContact O-N 3.44Å; L1531-Q1536 HydrophobicContact CD2-CB 3.78Å; L1531-K1537 HydrophobicContact CB-CG 4.27Å; L1531-K1537 WeakPolarHBondContact O-CE 3.26Å; L1531-K1537 PolarHBondContact O-NZ 3.47Å; L1531-F1540 HydrophobicContact CD1-CE2 3.85Å; L1531-F1540 HydrophobicContact CD1-CZ 4Å | ||
| 1532 | I | 66.6 | Low | 79.3 | Confident | 141 Ų | 141 | 65.9 Ų | 65.9 | 72% | 0.723 | 34% | 0.339 | S | S | * | . | trans | -85.4 | -38.5 | -175.3 | -56 | 171.1 | 0 | 0 | 0 | 110.8 | S1530 | S1530-I1532 VanDerWaalsContact C-N 3.31Å; S1530-I1532 PolarHBondContact O-N 2.78Å; S1530-I1532 VanDerWaalsContact O-N 3.08Å | ||
| 1533 | L | 73.7 | Confident | 79.6 | Confident | 105 Ų | 105 | 61.5 Ų | 61.5 | 55% | 0.55 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -82.1 | 135.3 | -174.6 | -66.5 | 169.2 | 0 | 0 | 0 | 110.5 | E1535 Q1536 | L1533-E1535 PolarHBondContact O-N 3.01Å; L1533-E1535 VanDerWaalsContact O-N 3.12Å; L1533-Q1536 HydrophobicContact CB-CG 4.14Å; L1533-Q1536 WeakPolarHBondContact O-CB 3.36Å; L1533-Q1536 PolarHBondContact O-N 3.35Å |
| 1534 | P | 68.5 | Low | 79.7 | Confident | 44 Ų | 44 | 61 Ų | 61 | 29% | 0.286 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -52.6 | -36.6 | 178.3 | -27 | 34.1 | 0 | 0 | 0 | 113.3 | Q1536 K1537 I1538 N1557 Y1558 | P1534-Q1536 PolarHBondContact O-N 2.85Å; P1534-K1537 PolarHBondContact O-N 3.16Å; P1534-I1538 PolarHBondContact O-N 2.97Å; P1534-N1557 HydrophobicContact CB-CB 4.27Å; P1534-N1557 HydrophobicContact CG-CB 4.26Å; P1534-Y1558 HydrophobicContact CB-CE1 3.91Å |
| 1535 | E | 76.5 | Confident | 79.9 | Confident | 152 Ų | 152 | 55.8 Ų | 55.8 | 71% | 0.71 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -57.3 | -34.9 | -179.8 | -59.8 | -178 | -157.5 | 0 | 0 | 113.2 | L1533 K1537 I1538 | L1533-E1535 PolarHBondContact O-N 3.01Å; L1533-E1535 VanDerWaalsContact O-N 3.12Å; E1535-K1537 PolarHBondContact O-N 3.01Å; E1535-I1538 PolarHBondContact O-N 2.93Å |
| 1536 | Q | 77.4 | Confident | 79.9 | Confident | 86 Ų | 86 | 54.4 Ų | 54.4 | 40% | 0.402 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -73.8 | -18.8 | -179.6 | -58.2 | 174.6 | -50.7 | 0 | 0 | 112.5 | L1531 L1533 P1534 | L1531-Q1536 HydrophobicContact CD2-CB 3.78Å; L1533-Q1536 HydrophobicContact CB-CG 4.14Å; L1533-Q1536 WeakPolarHBondContact O-CB 3.36Å; L1533-Q1536 PolarHBondContact O-N 3.35Å; P1534-Q1536 PolarHBondContact O-N 2.85Å |
| 1537 | K | 78.9 | Confident | 80 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 6% | 0.057 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -93.7 | -11.6 | -179 | -60.3 | -177.9 | -175.1 | -166.9 | 0 | 112.3 | H1503 D1505 L1531 P1534 E1535 D1539 F1540 L1543 Y1558 | H1503-K1537 WeakPolarHBondContact NE2-CD 3.23Å; H1503-K1537 WeakPolarHBondContact NE2-CE 3.3Å; H1503-K1537 PolarHBondContact NE2-NZ 3.18Å; D1505-K1537 IonicContact OD1-NZ 3.4Å; D1505-K1537 PolarHBondContact OD1-NZ 3.41Å; L1531-K1537 HydrophobicContact CB-CG 4.27Å; L1531-K1537 WeakPolarHBondContact O-CE 3.26Å; L1531-K1537 PolarHBondContact O-NZ 3.47Å; P1534-K1537 PolarHBondContact O-N 3.16Å; E1535-K1537 PolarHBondContact O-N 3.01Å; K1537-D1539 PolarHBondContact O-N 3.35Å; K1537-D1539 VanDerWaalsContact O-N 3.1Å; K1537-F1540 WeakPolarHBondContact O-CD2 3.22Å; K1537-F1540 PolarHBondContact O-N 3.22Å; K1537-L1543 HydrophobicContact CB-CD2 4.21Å; K1537-L1543 WeakPolarHBondContact O-CD2 3.1Å; K1537-Y1558 HydrophobicContact CB-CE1 4.14Å |
| 1538 | I | 81.5 | Confident | 79.9 | Confident | 55 Ų | 55 | 57.2 Ų | 57.2 | 28% | 0.282 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -24.1 | -175 | -64 | 174.7 | 0 | 0 | 0 | 112.4 | P1534 E1535 F1540 T1561 H1562 K1600 | P1534-I1538 PolarHBondContact O-N 2.97Å; E1535-I1538 PolarHBondContact O-N 2.93Å; I1538-F1540 PolarHBondContact O-N 3.31Å; I1538-T1561 HydrophobicContact CD1-CG2 4.35Å; I1538-T1561 HydrophobicContact CG1-CG2 4.5Å; I1538-T1561 HydrophobicContact CG2-CG2 3.89Å; I1538-H1562 PolarHBondContact O-CE1 3.09Å; I1538-K1600 WeakPolarHBondContact O-CE 3.02Å; I1538-K1600 PolarHBondContact O-NZ 3.24Å |
| 1539 | D | 83.1 | Confident | 80.3 | Confident | 96 Ų | 96 | 60.7 Ų | 60.7 | 51% | 0.513 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -17.3 | -175.6 | -75.7 | -23.4 | 0 | 0 | 0 | 115.2 | R1501 K1537 K1600 | R1501-D1539 PolarHBondContact NH2-O 3.38Å; K1537-D1539 PolarHBondContact O-N 3.35Å; K1537-D1539 VanDerWaalsContact O-N 3.1Å; D1539-K1600 IonicContact OD1-NZ 2.77Å |
| 1540 | F | 89 | Confident | 81 | Confident | 20 Ų | 20 | 56 Ų | 56 | 9% | 0.088 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -74.6 | 148.6 | 179.4 | -67.2 | -90 | 0 | 0 | 0 | 111.7 | R1501 H1503 N1526 L1531 K1537 I1538 L1543 H1562 K1600 | R1501-F1540 HydrophobicContact CB-CD1 3.86Å; R1501-F1540 HydrophobicContact CB-CE1 4.5Å; H1503-F1540 HydrophobicContact CB-CB 4.1Å; H1503-F1540 HydrophobicContact CB-CD1 3.79Å; H1503-F1540 HydrophobicContact CB-CD2 3.75Å; H1503-F1540 HydrophobicContact CB-CE1 4.15Å; H1503-F1540 HydrophobicContact CB-CE2 4.09Å; H1503-F1540 HydrophobicContact CB-CG 3.59Å; H1503-F1540 HydrophobicContact CB-CZ 4.28Å; N1526-F1540 HydrophobicContact CB-CE1 3.48Å; N1526-F1540 VanDerWaalsContact CB-CE1 3.48Å; N1526-F1540 HydrophobicContact CB-CZ 3.76Å; L1531-F1540 HydrophobicContact CD1-CE2 3.85Å; L1531-F1540 HydrophobicContact CD1-CZ 4Å; K1537-F1540 WeakPolarHBondContact O-CD2 3.22Å; K1537-F1540 PolarHBondContact O-N 3.22Å; I1538-F1540 PolarHBondContact O-N 3.31Å; F1540-L1543 HydrophobicContact CB-CD2 3.67Å; F1540-L1543 HydrophobicContact CD2-CD2 4.45Å; F1540-L1543 HydrophobicContact CG-CD2 4.35Å; F1540-H1562 PolarHBondContact O-NE2 2.68Å; F1540-K1600 WeakPolarHBondContact O-CD 3.34Å |
| 1541 | D | 90 | Very high | 81.9 | Confident | 56 Ų | 56 | 51.8 Ų | 51.8 | 30% | 0.299 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -76.1 | -34.9 | -178.3 | -56 | -54.5 | 0 | 0 | 0 | 111.3 | V1500 R1501 K1600 | V1500-D1541 HydrophobicContact CG1-CB 4.04Å; R1501-D1541 PolarHBondContact N-OD2 3.48Å; R1501-D1541 PolarHBondContact O-N 3.37Å; D1541-K1600 WeakPolarHBondContact O-CB 3.31Å; D1541-K1600 PolarHBondContact O-N 3.21Å |
| 1542 | Y | 92.6 | Very high | 82.6 | Confident | 6 Ų | 6 | 52.7 Ų | 52.7 | 2% | 0.024 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 140.3 | 176.3 | -63.9 | -99.8 | 0 | 0 | 0 | 110.7 | L1486 L1490 E1493 L1495 V1500 R1501 I1502 H1503 L1565 L1597 L1598 K1599 | L1486-Y1542 HydrophobicContact CD1-CD1 3.54Å; L1486-Y1542 HydrophobicContact CD1-CE1 4.12Å; L1486-Y1542 HydrophobicContact CD1-CG 3.79Å; L1490-Y1542 HydrophobicContact CD2-CD2 3.95Å; L1490-Y1542 HydrophobicContact CD2-CE1 4.02Å; L1490-Y1542 HydrophobicContact CD2-CE2 3.35Å; E1493-Y1542 PolarHBondContact OE2-OH 2.76Å; L1495-Y1542 HydrophobicContact CD1-CE2 4.47Å; L1495-Y1542 WeakPolarHBondContact CD1-OH 3.49Å; V1500-Y1542 HydrophobicContact CG1-CD2 3.54Å; V1500-Y1542 HydrophobicContact CG1-CE2 3.74Å; R1501-Y1542 PolarHBondContact O-N 3.25Å; I1502-Y1542 WeakPolarHBondContact CA-O 3.17Å; H1503-Y1542 PolarHBondContact N-O 2.94Å; Y1542-L1565 HydrophobicContact CE1-CD1 4.27Å; Y1542-L1597 HydrophobicContact CD1-CD1 4.35Å; Y1542-L1598 VanDerWaalsContact CA-O 3.26Å; Y1542-L1598 WeakPolarHBondContact CA-O 3.14Å; Y1542-K1599 HydrophobicContact CD1-CB 3.99Å; Y1542-K1599 HydrophobicContact CD1-CG 4.2Å; Y1542-K1599 HydrophobicContact CE1-CB 3.8Å; Y1542-K1599 HydrophobicContact CE1-CD 3.86Å; Y1542-K1599 HydrophobicContact CE1-CG 3.65Å; Y1542-K1599 WeakPolarHBondContact OH-CE 3.3Å |
| 1543 | L | 90.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.6 | 175.6 | -48.9 | 172.3 | 0 | 0 | 0 | 109.8 | H1503 K1537 F1540 I1545 Y1558 L1598 | H1503-L1543 HydrophobicContact CB-CD2 3.72Å; K1537-L1543 HydrophobicContact CB-CD2 4.21Å; K1537-L1543 WeakPolarHBondContact O-CD2 3.1Å; F1540-L1543 HydrophobicContact CB-CD2 3.67Å; F1540-L1543 HydrophobicContact CD2-CD2 4.45Å; F1540-L1543 HydrophobicContact CG-CD2 4.35Å; L1543-I1545 HydrophobicContact CB-CG2 4.14Å; L1543-Y1558 HydrophobicContact CD1-CD1 3.68Å; L1543-Y1558 HydrophobicContact CD1-CE1 4Å; L1543-Y1558 HydrophobicContact CD1-CG 4.08Å; L1543-L1598 HydrophobicContact CB-CB 4.02Å; L1543-L1598 HydrophobicContact CB-CD1 4.12Å; L1543-L1598 HydrophobicContact CD1-CD1 4.2Å; L1543-L1598 PolarHBondContact N-O 3.18Å; L1543-L1598 PolarHBondContact O-N 3.13Å |
| 1544 | L | 91.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 96.4 | 162.8 | -72 | 177.7 | 0 | 0 | 0 | 108 | A1482 I1483 L1486 H1503 I1504 D1505 C1508 L1597 | A1482-L1544 HydrophobicContact CB-CD2 3.72Å; I1483-L1544 HydrophobicContact CB-CD1 4.07Å; I1483-L1544 HydrophobicContact CG1-CD1 4.39Å; L1486-L1544 HydrophobicContact CD2-CD1 4.14Å; L1486-L1544 HydrophobicContact CD2-CG 4.31Å; H1503-L1544 PolarHBondContact O-N 3.27Å; I1504-L1544 HydrophobicContact CG1-CD1 4.3Å; I1504-L1544 HydrophobicContact CG2-CB 4.47Å; I1504-L1544 HydrophobicContact CG2-CD1 4.47Å; D1505-L1544 WeakPolarHBondContact CB-O 3.23Å; D1505-L1544 PolarHBondContact N-O 3.11Å; C1508-L1544 HydrophobicContact CB-CB 4.32Å; C1508-L1544 PolarHBondContact SG-O 2.81Å; L1544-L1597 HydrophobicContact CD2-CB 3.87Å; L1544-L1597 HydrophobicContact CD2-CD1 3.58Å; L1544-L1597 HydrophobicContact CD2-CG 4.2Å; L1544-L1597 HydrophobicContact CG-CD1 4.25Å |
| 1545 | I | 89.7 | Confident | 84.2 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 145.5 | 178.2 | 59.2 | 165.6 | 0 | 0 | 0 | 110.3 | L1543 V1551 V1554 N1555 Y1558 V1595 A1596 L1598 | L1543-I1545 HydrophobicContact CB-CG2 4.14Å; I1545-V1551 HydrophobicContact CD1-CG2 4.19Å; I1545-V1551 HydrophobicContact CG1-CG2 4.01Å; I1545-V1551 WeakPolarHBondContact O-CG2 3.38Å; I1545-V1554 HydrophobicContact CD1-CG1 4.16Å; I1545-N1555 HydrophobicContact CD1-CB 3.97Å; I1545-Y1558 HydrophobicContact CD1-CD2 4.01Å; I1545-Y1558 HydrophobicContact CD1-CE2 4.23Å; I1545-Y1558 HydrophobicContact CG2-CE2 4.06Å; I1545-V1595 CarbonylContact O-C 3.56Å; I1545-V1595 WeakPolarHBondContact O-CA 3.36Å; I1545-A1596 HydrophobicContact CD1-CB 4.27Å; I1545-A1596 HydrophobicContact CG1-CB 3.91Å; I1545-A1596 PolarHBondContact N-O 3.36Å; I1545-A1596 PolarHBondContact O-N 2.72Å; I1545-L1598 HydrophobicContact CD1-CD1 3.52Å; I1545-L1598 HydrophobicContact CD1-CG 4.45Å; I1545-L1598 HydrophobicContact CG1-CD1 3.79Å; I1545-L1598 HydrophobicContact CG1-CG 4.48Å; I1545-L1598 HydrophobicContact CG2-CD1 4.3Å |
| 1546 | G | 88.1 | Confident | 84.4 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 5% | 0.052 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 155 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1505 R1594 | D1505-G1546 PolarHBondContact OD2-N 3.23Å; G1546-R1594 CarbonylContact C-O 3.48Å; G1546-R1594 VanDerWaalsContact CA-O 3.24Å; G1546-R1594 WeakPolarHBondContact CA-O 2.98Å |
| 1547 | D | 84.5 | Confident | 84.6 | Confident | 48 Ų | 48 | 47.7 Ų | 47.7 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | trans | -145.4 | 140.7 | 174.2 | -171.2 | -92.8 | 0 | 0 | 0 | 110 | D1549 D1550 V1551 V1554 R1594 | D1547-D1549 PolarHBondContact O-N 3.17Å; D1547-D1549 VanDerWaalsContact OD1-CA 3.31Å; D1547-D1549 WeakPolarHBondContact OD1-CA 3.31Å; D1547-D1549 WeakPolarHBondContact OD1-CB 3.35Å; D1547-D1549 PolarHBondContact OD1-N 2.9Å; D1547-D1550 PolarHBondContact OD1-N 3.08Å; D1547-V1551 HydrophobicContact CB-CB 4.33Å; D1547-V1554 HydrophobicContact CB-CG2 4.02Å; D1547-R1594 PolarHBondContact N-O 3.25Å | ||
| 1548 | S | 79.1 | Confident | 84.8 | Confident | 68 Ų | 68 | 47.3 Ų | 47.3 | 48% | 0.476 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -68.9 | -17.4 | -179.4 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | Y1507 R1594 | Y1507-S1548 VanDerWaalsContact CE2-CA 3.46Å; S1548-R1594 PolarHBondContact O-NH1 2.9Å |
| 1549 | D | 80.8 | Confident | 84.8 | Confident | 113 Ų | 113 | 49.6 Ų | 49.6 | 60% | 0.604 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -111.4 | -67 | 179.7 | -75.5 | -31.6 | 0 | 0 | 0 | 112.3 | D1547 R1594 | D1547-D1549 PolarHBondContact O-N 3.17Å; D1547-D1549 VanDerWaalsContact OD1-CA 3.31Å; D1547-D1549 WeakPolarHBondContact OD1-CA 3.31Å; D1547-D1549 WeakPolarHBondContact OD1-CB 3.35Å; D1547-D1549 PolarHBondContact OD1-N 2.9Å; D1549-R1594 PolarHBondContact O-NH1 3.25Å |
| 1550 | D | 81.2 | Confident | 84.6 | Confident | 48 Ų | 48 | 51 Ų | 51 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | trans | -153.3 | 108.1 | -179.1 | -166.3 | -18.5 | 0 | 0 | 0 | 112.1 | D1547 T1552 Q1553 | D1547-D1550 PolarHBondContact OD1-N 3.08Å; D1550-T1552 PolarHBondContact O-N 3.07Å; D1550-T1552 VanDerWaalsContact O-N 3.16Å; D1550-T1552 VanDerWaalsContact OD1-CB 3.3Å; D1550-T1552 WeakPolarHBondContact OD1-CB 3.29Å; D1550-T1552 VanDerWaalsContact OD1-CG2 3.31Å; D1550-T1552 WeakPolarHBondContact OD1-CG2 3.04Å; D1550-T1552 PolarHBondContact OD1-N 3.24Å; D1550-T1552 PolarHBondContact OD1-OG1 3Å; D1550-T1552 PolarHBondContact OD2-OG1 3.35Å; D1550-Q1553 PolarHBondContact O-N 3.08Å | ||
| 1551 | V | 87.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.7 | -18.7 | -178.2 | 73.9 | 0 | 0 | 0 | 0 | 112.6 | I1545 D1547 Q1553 V1554 N1555 F1567 P1593 A1596 | I1545-V1551 HydrophobicContact CD1-CG2 4.19Å; I1545-V1551 HydrophobicContact CG1-CG2 4.01Å; I1545-V1551 WeakPolarHBondContact O-CG2 3.38Å; D1547-V1551 HydrophobicContact CB-CB 4.33Å; V1551-Q1553 PolarHBondContact O-N 3.22Å; V1551-V1554 PolarHBondContact O-N 3.08Å; V1551-N1555 VanDerWaalsContact O-CB 3.3Å; V1551-N1555 WeakPolarHBondContact O-CB 3.48Å; V1551-N1555 PolarHBondContact O-N 3.44Å; V1551-F1567 HydrophobicContact CG1-CD1 3.81Å; V1551-F1567 HydrophobicContact CG1-CE1 3.98Å; V1551-P1593 HydrophobicContact CG1-CB 4.06Å; V1551-P1593 PolarHBondContact N-O 3.11Å; V1551-A1596 HydrophobicContact CG1-CB 4.2Å; V1551-A1596 HydrophobicContact CG2-CB 3.97Å |
| 1552 | T | 83.4 | Confident | 84.2 | Confident | 49 Ų | 49 | 48.5 Ų | 48.5 | 30% | 0.301 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.8 | -27.2 | -179.6 | 62.2 | 0 | 0 | 0 | 0 | 112.4 | D1550 F1567 P1593 | D1550-T1552 PolarHBondContact O-N 3.07Å; D1550-T1552 VanDerWaalsContact O-N 3.16Å; D1550-T1552 VanDerWaalsContact OD1-CB 3.3Å; D1550-T1552 WeakPolarHBondContact OD1-CB 3.29Å; D1550-T1552 VanDerWaalsContact OD1-CG2 3.31Å; D1550-T1552 WeakPolarHBondContact OD1-CG2 3.04Å; D1550-T1552 PolarHBondContact OD1-N 3.24Å; D1550-T1552 PolarHBondContact OD1-OG1 3Å; D1550-T1552 PolarHBondContact OD2-OG1 3.35Å; T1552-F1567 HydrophobicContact CG2-CE1 4.01Å; T1552-F1567 HydrophobicContact CG2-CZ 4.25Å; T1552-P1593 HydrophobicContact CG2-CB 4.5Å; T1552-P1593 HydrophobicContact CG2-CG 3.93Å |
| 1553 | Q | 79.4 | Confident | 84.1 | Confident | 137 Ų | 137 | 55.6 Ų | 55.6 | 64% | 0.64 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -72 | -47.3 | 175.1 | -62.8 | -166.1 | 1.8 | 0 | 0 | 111.5 | D1550 V1551 N1555 K1556 | D1550-Q1553 PolarHBondContact O-N 3.08Å; V1551-Q1553 PolarHBondContact O-N 3.22Å; Q1553-N1555 VanDerWaalsContact C-N 3.27Å; Q1553-N1555 PolarHBondContact O-N 3.36Å; Q1553-K1556 WeakPolarHBondContact O-CB 3.28Å; Q1553-K1556 PolarHBondContact O-N 3.37Å |
| 1554 | V | 80.4 | Confident | 84 | Confident | 37 Ų | 37 | 57.5 Ų | 57.5 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.1 | -36.5 | 177.7 | -176.9 | 0 | 0 | 0 | 0 | 110.9 | I1545 D1547 V1551 K1556 N1557 Y1558 | I1545-V1554 HydrophobicContact CD1-CG1 4.16Å; D1547-V1554 HydrophobicContact CB-CG2 4.02Å; V1551-V1554 PolarHBondContact O-N 3.08Å; V1554-K1556 PolarHBondContact O-N 3.41Å; V1554-N1557 WeakPolarHBondContact O-CB 3.49Å; V1554-N1557 PolarHBondContact O-N 2.74Å; V1554-Y1558 HydrophobicContact CG1-CE2 4.31Å |
| 1555 | N | 82.5 | Confident | 84 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 5% | 0.048 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.8 | -33.2 | 179.1 | -169.3 | 50.5 | 0 | 0 | 0 | 113.2 | I1545 V1551 Q1553 N1557 Y1558 I1559 T1564 L1598 | I1545-N1555 HydrophobicContact CD1-CB 3.97Å; V1551-N1555 VanDerWaalsContact O-CB 3.3Å; V1551-N1555 WeakPolarHBondContact O-CB 3.48Å; V1551-N1555 PolarHBondContact O-N 3.44Å; Q1553-N1555 VanDerWaalsContact C-N 3.27Å; Q1553-N1555 PolarHBondContact O-N 3.36Å; N1555-N1557 PolarHBondContact O-N 2.63Å; N1555-N1557 VanDerWaalsContact O-N 3.13Å; N1555-Y1558 PolarHBondContact O-N 3.1Å; N1555-I1559 WeakPolarHBondContact O-CG1 2.79Å; N1555-T1564 PolarHBondContact ND2-OG1 3Å; N1555-T1564 PolarHBondContact OD1-OG1 2.96Å; N1555-L1598 WeakPolarHBondContact OD1-CD2 3.41Å |
| 1556 | K | 82.1 | Confident | 84.1 | Confident | 146 Ų | 146 | 65.1 Ų | 65.1 | 64% | 0.635 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -57.2 | -30 | -179.7 | -71.8 | 176.4 | -178.7 | -179.8 | 0 | 113.4 | Q1553 V1554 Y1558 I1559 | Q1553-K1556 WeakPolarHBondContact O-CB 3.28Å; Q1553-K1556 PolarHBondContact O-N 3.37Å; V1554-K1556 PolarHBondContact O-N 3.41Å; K1556-Y1558 PolarHBondContact O-N 2.82Å; K1556-I1559 HydrophobicContact CB-CD1 4.44Å; K1556-I1559 HydrophobicContact CG-CD1 4.23Å |
| 1557 | N | 80.9 | Confident | 84.3 | Confident | 94 Ų | 94 | 68.7 Ų | 68.7 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -67.4 | -17.1 | -179.1 | -62.4 | -21.3 | 0 | 0 | 0 | 113.2 | P1534 V1554 N1555 | P1534-N1557 HydrophobicContact CB-CB 4.27Å; P1534-N1557 HydrophobicContact CG-CB 4.26Å; V1554-N1557 WeakPolarHBondContact O-CB 3.49Å; V1554-N1557 PolarHBondContact O-N 2.74Å; N1555-N1557 PolarHBondContact O-N 2.63Å; N1555-N1557 VanDerWaalsContact O-N 3.13Å |
| 1558 | Y | 83.8 | Confident | 84.6 | Confident | 6 Ų | 6 | 67.1 Ų | 67.1 | 2% | 0.024 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -115.1 | -7.2 | -173.9 | -55.1 | -77.2 | 0 | 0 | 0 | 113.9 | P1534 K1537 L1543 I1545 V1554 N1555 K1556 T1560 T1561 H1562 L1598 | P1534-Y1558 HydrophobicContact CB-CE1 3.91Å; K1537-Y1558 HydrophobicContact CB-CE1 4.14Å; L1543-Y1558 HydrophobicContact CD1-CD1 3.68Å; L1543-Y1558 HydrophobicContact CD1-CE1 4Å; L1543-Y1558 HydrophobicContact CD1-CG 4.08Å; I1545-Y1558 HydrophobicContact CD1-CD2 4.01Å; I1545-Y1558 HydrophobicContact CD1-CE2 4.23Å; I1545-Y1558 HydrophobicContact CG2-CE2 4.06Å; V1554-Y1558 HydrophobicContact CG1-CE2 4.31Å; N1555-Y1558 PolarHBondContact O-N 3.1Å; K1556-Y1558 PolarHBondContact O-N 2.82Å; Y1558-T1560 PolarHBondContact O-N 3.4Å; Y1558-T1561 PolarHBondContact O-N 3.47Å; Y1558-T1561 PolarHBondContact O-OG1 3.4Å; Y1558-H1562 PolarHBondContact O-N 2.66Å; Y1558-L1598 HydrophobicContact CD2-CD1 4.01Å; Y1558-L1598 HydrophobicContact CG-CD1 4.08Å |
| 1559 | I | 80.8 | Confident | 85 | Confident | 102 Ų | 102 | 68.1 Ų | 68.1 | 52% | 0.523 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -30.2 | -172.6 | -64.4 | 176.8 | 0 | 0 | 0 | 112.7 | N1555 K1556 | N1555-I1559 WeakPolarHBondContact O-CG1 2.79Å; K1556-I1559 HydrophobicContact CB-CD1 4.44Å; K1556-I1559 HydrophobicContact CG-CD1 4.23Å |
| 1560 | T | 79.9 | Confident | 85.2 | Confident | 125 Ų | 125 | 62.8 Ų | 62.8 | 77% | 0.767 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -21.5 | 179.2 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | Y1558 | Y1558-T1560 PolarHBondContact O-N 3.4Š|
| 1561 | T | 81.4 | Confident | 85.3 | Confident | 22 Ų | 22 | 63 Ų | 63 | 14% | 0.135 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -27.5 | -174.4 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | I1538 Y1558 E1601 | I1538-T1561 HydrophobicContact CD1-CG2 4.35Å; I1538-T1561 HydrophobicContact CG1-CG2 4.5Å; I1538-T1561 HydrophobicContact CG2-CG2 3.89Å; Y1558-T1561 PolarHBondContact O-N 3.47Å; Y1558-T1561 PolarHBondContact O-OG1 3.4Å; T1561-E1601 PolarHBondContact O-N 2.94Å |
| 1562 | H | 88.4 | Confident | 84.9 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.009 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 132.7 | -175.8 | -62.7 | 67 | 0 | 0 | 0 | 110.7 | I1538 F1540 Y1558 L1598 K1599 K1600 | I1538-H1562 PolarHBondContact O-CE1 3.09Å; F1540-H1562 PolarHBondContact O-NE2 2.68Å; Y1558-H1562 PolarHBondContact O-N 2.66Å; H1562-L1598 HydrophobicContact CB-CB 3.96Å; H1562-K1599 CarbonylContact C-O 3.56Å; H1562-K1599 WeakPolarHBondContact CA-O 3.46Å; H1562-K1600 VanDerWaalsContact CD2-CA 3.43Å; H1562-K1600 WeakPolarHBondContact CD2-CA 3.47Å; H1562-K1600 PolarHBondContact CD2-N 2.64Å; H1562-K1600 VanDerWaalsContact CD2-N 3.31Å |
| 1563 | R | 90 | Very high | 84.7 | Confident | 156 Ų | 156 | 63.3 Ų | 63.3 | 59% | 0.589 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 131.8 | 171.5 | 176.1 | 173.8 | 171.5 | -175.3 | 2.2 | 110.5 | L1565 L1598 K1599 E1601 | R1563-L1565 PolarHBondContact O-N 3.34Å; R1563-L1598 WeakPolarHBondContact O-CA 3.48Å; R1563-K1599 PolarHBondContact N-O 3.41Å; R1563-K1599 PolarHBondContact O-N 3.3Å; R1563-E1601 HydrophobicContact CB-CG 3.86Å; R1563-E1601 WeakPolarHBondContact CB-OE1 3.35Å; R1563-E1601 WeakPolarHBondContact CD-OE1 3.3Å |
| 1564 | T | 89.8 | Confident | 84.4 | Confident | 39 Ų | 39 | 60.7 Ų | 60.7 | 24% | 0.239 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 123.6 | 171 | -46.6 | 0 | 0 | 0 | 0 | 110.4 | N1555 F1567 A1596 L1598 | N1555-T1564 PolarHBondContact ND2-OG1 3Å; N1555-T1564 PolarHBondContact OD1-OG1 2.96Å; T1564-F1567 HydrophobicContact CG2-CD2 4.26Å; T1564-F1567 HydrophobicContact CG2-CE1 4.3Å; T1564-F1567 HydrophobicContact CG2-CE2 3.77Å; T1564-F1567 HydrophobicContact CG2-CZ 3.8Å; T1564-A1596 HydrophobicContact CG2-CB 4.47Å; T1564-L1598 VanDerWaalsContact CA-CD2 3.44Å; T1564-L1598 HydrophobicContact CG2-CD2 4.05Å; T1564-L1598 WeakPolarHBondContact OG1-CD2 3.31Å |
| 1565 | L | 90.6 | Very high | 84.1 | Confident | 48 Ų | 48 | 63.4 Ų | 63.4 | 25% | 0.251 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -49.6 | 176.5 | -61.5 | -176.9 | 0 | 0 | 0 | 111.5 | T1489 Y1542 R1563 L1597 K1599 | T1489-L1565 HydrophobicContact CG2-CD1 4.31Å; Y1542-L1565 HydrophobicContact CE1-CD1 4.27Å; R1563-L1565 PolarHBondContact O-N 3.34Å; L1565-L1597 HydrophobicContact CB-CG 4.42Å; L1565-L1597 HydrophobicContact CD1-CD2 4.47Å; L1565-L1597 HydrophobicContact CD1-CG 4.33Å; L1565-L1597 PolarHBondContact N-O 3.21Å; L1565-K1599 HydrophobicContact CD1-CB 3.8Å; L1565-K1599 HydrophobicContact CD1-CD 4.44Å; L1565-K1599 HydrophobicContact CD2-CB 4.24Å; L1565-K1599 HydrophobicContact CG-CB 3.98Å |
| 1566 | Y | 91.8 | Very high | 83.4 | Confident | 113 Ų | 113 | 68.4 Ų | 68.4 | 44% | 0.443 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 147.7 | -174 | -57.5 | -82.4 | 0 | 0 | 0 | 112 | T1485 F1568 A1596 L1597 | T1485-Y1566 HydrophobicContact CG2-CD2 4.09Å; T1485-Y1566 HydrophobicContact CG2-CE2 4.11Å; T1485-Y1566 HydrophobicContact CG2-CG 4.44Å; Y1566-F1568 HydrophobicContact CG-CZ 4.34Å; Y1566-A1596 WeakPolarHBondContact O-CA 3.48Å; Y1566-L1597 HydrophobicContact CD2-CD2 4.05Å; Y1566-L1597 PolarHBondContact N-O 3.06Å; Y1566-L1597 PolarHBondContact O-N 2.86Å |
| 1567 | F | 91.6 | Very high | 82.6 | Confident | 81 Ų | 81 | 66.4 Ų | 66.4 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 128.4 | 164.5 | -72.8 | -75.5 | 0 | 0 | 0 | 110 | V1551 T1552 T1564 H1569 P1593 A1596 | V1551-F1567 HydrophobicContact CG1-CD1 3.81Å; V1551-F1567 HydrophobicContact CG1-CE1 3.98Å; T1552-F1567 HydrophobicContact CG2-CE1 4.01Å; T1552-F1567 HydrophobicContact CG2-CZ 4.25Å; T1564-F1567 HydrophobicContact CG2-CD2 4.26Å; T1564-F1567 HydrophobicContact CG2-CE1 4.3Å; T1564-F1567 HydrophobicContact CG2-CE2 3.77Å; T1564-F1567 HydrophobicContact CG2-CZ 3.8Å; F1567-H1569 PolarHBondContact O-ND1 2.82Å; F1567-P1593 HydrophobicContact CB-CB 4.15Å; F1567-P1593 HydrophobicContact CD1-CB 4.04Å; F1567-P1593 HydrophobicContact CG-CB 4.33Å; F1567-A1596 HydrophobicContact CD1-CB 3.76Å; F1567-A1596 HydrophobicContact CE1-CB 3.73Å |
| 1568 | F | 90.5 | Very high | 81.7 | Confident | 14 Ų | 14 | 71.5 Ų | 71.5 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.4 | 176.1 | -58.5 | -87.7 | 0 | 0 | 0 | 109.4 | P1478 E1481 A1482 T1485 Y1566 R1594 V1595 L1597 | P1478-F1568 HydrophobicContact CB-CB 3.91Å; E1481-F1568 HydrophobicContact CB-CD1 4.15Å; E1481-F1568 HydrophobicContact CG-CD1 3.86Å; E1481-F1568 HydrophobicContact CG-CE1 4.08Å; A1482-F1568 HydrophobicContact CB-CD1 4.33Å; A1482-F1568 HydrophobicContact CB-CD2 3.42Å; A1482-F1568 VanDerWaalsContact CB-CD2 3.42Å; A1482-F1568 HydrophobicContact CB-CE1 4.39Å; A1482-F1568 HydrophobicContact CB-CE2 3.5Å; A1482-F1568 VanDerWaalsContact CB-CE2 3.5Å; A1482-F1568 HydrophobicContact CB-CG 3.87Å; A1482-F1568 HydrophobicContact CB-CZ 4.02Å; T1485-F1568 HydrophobicContact CG2-CE1 4.19Å; T1485-F1568 HydrophobicContact CG2-CZ 3.79Å; T1485-F1568 VanDerWaalsContact OG1-CE1 3.31Å; T1485-F1568 WeakPolarHBondContact OG1-CE1 3.35Å; Y1566-F1568 HydrophobicContact CG-CZ 4.34Å; F1568-R1594 PolarHBondContact O-N 2.84Å; F1568-V1595 HydrophobicContact CB-CB 4.17Å; F1568-V1595 HydrophobicContact CD2-CB 4.47Å; F1568-V1595 HydrophobicContact CD2-CG1 4.14Å; F1568-V1595 PolarHBondContact N-O 3.16Å; F1568-V1595 PolarHBondContact O-N 3.33Å; F1568-L1597 HydrophobicContact CE2-CB 3.9Å |
| 1569 | H | 88.2 | Confident | 80.5 | Confident | 89 Ų | 89 | 74.2 Ų | 74.2 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 129.9 | -173.1 | -61.2 | 68.5 | 0 | 0 | 0 | 110.3 | F1567 L1591 K1592 | F1567-H1569 PolarHBondContact O-ND1 2.82Å; H1569-L1591 HydrophobicContact CB-CB 3.9Å; H1569-K1592 CarbonylContact C-O 3.58Å; H1569-K1592 WeakPolarHBondContact CA-O 3.24Å |
| 1570 | G | 84.6 | Confident | 79.6 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 155.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1475 A1572 L1591 K1592 | A1475-G1570 VanDerWaalsContact O-CA 3.3Å; A1475-G1570 WeakPolarHBondContact O-CA 3.45Å; G1570-A1572 PolarHBondContact O-N 2.76Å; G1570-L1591 WeakPolarHBondContact O-CA 3.45Å; G1570-K1592 PolarHBondContact N-O 3.46Å; G1570-K1592 PolarHBondContact O-N 3.17Å |
| 1571 | F | 84 | Confident | 79 | Confident | 51 Ų | 51 | 74.1 Ų | 74.1 | 22% | 0.224 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 134.4 | 172.1 | 174.4 | -99.5 | 0 | 0 | 0 | 111.6 | A1472 A1475 N1476 G1573 I1574 Y1589 R1594 | A1472-F1571 HydrophobicContact CB-CD2 4.03Å; A1472-F1571 HydrophobicContact CB-CE2 3.95Å; A1472-F1571 HydrophobicContact CB-CG 4.5Å; A1472-F1571 HydrophobicContact CB-CZ 4.33Å; A1475-F1571 HydrophobicContact CB-CB 4.1Å; A1475-F1571 PolarHBondContact O-N 3.29Å; A1475-F1571 VanDerWaalsContact O-N 3.09Å; N1476-F1571 WeakPolarHBondContact OD1-CB 3.47Å; F1571-G1573 VanDerWaalsContact CE2-C 3.49Å; F1571-G1573 WeakPolarHBondContact CE2-O 3.48Å; F1571-I1574 HydrophobicContact CE2-CG1 3.77Å; F1571-I1574 HydrophobicContact CZ-CD1 4.25Å; F1571-I1574 HydrophobicContact CZ-CG1 3.76Å; F1571-Y1589 HydrophobicContact CD2-CD1 4.21Å; F1571-Y1589 AromaticContact CE2-CD1 3.84Å; F1571-Y1589 HydrophobicContact CE2-CD1 3.84Å; F1571-R1594 PolarHBondContact O-NH2 3.2Å |
| 1572 | A | 79.5 | Confident | 77.4 | Confident | 36 Ų | 36 | 79.5 Ų | 79.5 | 30% | 0.298 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | -20.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1570 K1590 K1592 | G1570-A1572 PolarHBondContact O-N 2.76Å; A1572-K1590 HydrophobicContact CB-CB 4.47Å; A1572-K1590 HydrophobicContact CB-CG 4.4Å; A1572-K1590 WeakPolarHBondContact CB-O 3.19Å; A1572-K1590 PolarHBondContact N-O 3Å; A1572-K1592 HydrophobicContact CB-CB 4.02Å; A1572-K1592 HydrophobicContact CB-CD 3.91Å; A1572-K1592 HydrophobicContact CB-CG 3.65Å |
| 1573 | G | 77.9 | Confident | 76.1 | Confident | 20 Ų | 20 | 84.5 Ų | 84.5 | 21% | 0.206 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.7 | 173.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1571 K1590 | F1571-G1573 VanDerWaalsContact CE2-C 3.49Å; F1571-G1573 WeakPolarHBondContact CE2-O 3.48Å; G1573-K1590 PolarHBondContact N-O 2.94Å; G1573-K1590 PolarHBondContact O-N 3.05Å |
| 1574 | I | 74.1 | Confident | 74.8 | Confident | 82 Ų | 82 | 84.4 Ų | 84.4 | 42% | 0.421 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124 | 173.9 | -65.8 | 167.3 | 0 | 0 | 0 | 107.4 | F1571 V1587 Y1589 | F1571-I1574 HydrophobicContact CE2-CG1 3.77Å; F1571-I1574 HydrophobicContact CZ-CD1 4.25Å; F1571-I1574 HydrophobicContact CZ-CG1 3.76Å; I1574-V1587 HydrophobicContact CG2-CG1 3.46Å; I1574-V1587 VanDerWaalsContact CG2-CG1 3.46Å; I1574-Y1589 HydrophobicContact CD1-CE1 4.37Å; I1574-Y1589 HydrophobicContact CG1-CD1 4.14Å; I1574-Y1589 HydrophobicContact CG1-CE1 4.18Å |
| 1575 | E | 73.7 | Confident | 73.3 | Confident | 94 Ų | 94 | 88.3 Ų | 88.3 | 44% | 0.439 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 137 | 170.9 | -75.5 | 176 | -167.6 | 0 | 0 | 108.7 | Q1588 K1590 | E1575-Q1588 PolarHBondContact N-O 3.06Å; E1575-Q1588 PolarHBondContact O-N 3.14Å; E1575-K1590 IonicContact OE1-NZ 2.72Å; E1575-K1590 PolarHBondContact OE1-NZ 2.78Å |
| 1576 | I | 67.9 | Low | 72.1 | Confident | 115 Ų | 115 | 88.4 Ų | 88.4 | 59% | 0.59 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 101.5 | 176.3 | -56.7 | 179.1 | 0 | 0 | 0 | 106.2 | L1585 | I1576-L1585 HydrophobicContact CG2-CB 3.66Å; I1576-L1585 HydrophobicContact CG2-CD1 4.18Å; I1576-L1585 HydrophobicContact CG2-CD2 3.66Å; I1576-L1585 HydrophobicContact CG2-CG 4.02Å |
| 1577 | E | 66 | Low | 71 | Confident | 103 Ų | 103 | 86.1 Ų | 86.1 | 48% | 0.481 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133.7 | -180 | -148.2 | 177.2 | -161 | 0 | 0 | 109.3 | N1579 T1586 Q1588 | E1577-N1579 PolarHBondContact O-N 3.18Å; E1577-T1586 PolarHBondContact N-O 3.26Å; E1577-T1586 PolarHBondContact O-N 2.79Å; E1577-T1586 PolarHBondContact O-OG1 3.22Å; E1577-Q1588 VanDerWaalsContact OE2-CD 3.31Å; E1577-Q1588 PolarHBondContact OE2-NE2 3.24Å |
| 1578 | R | 61.7 | Low | 70.1 | Confident | 201 Ų | 201 | 86.9 Ų | 86.9 | 76% | 0.758 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 106 | 174.5 | -167.9 | 177.9 | -175 | -178.6 | 0.5 | 107.4 | A1580 L1585 | R1578-A1580 PolarHBondContact O-N 3.05Å; R1578-L1585 HydrophobicContact CB-CD2 4.39Å |
| 1579 | N | 58.4 | Low | 69.4 | Low | 64 Ų | 64 | 88.1 Ų | 88.1 | 34% | 0.342 | 46% | 0.462 | S | S | . | . | trans | -63.8 | 122.9 | -179.6 | -163.6 | -11.9 | 0 | 0 | 0 | 109.7 | E1577 T1581 F1582 T1586 | E1577-N1579 PolarHBondContact O-N 3.18Å; N1579-T1581 PolarHBondContact O-N 2.9Å; N1579-T1581 PolarHBondContact OD1-OG1 3.17Å; N1579-F1582 PolarHBondContact O-N 3.28Å; N1579-T1586 HydrophobicContact CB-CG2 4.26Å | ||
| 1580 | A | 62.5 | Low | 69 | Low | 108 Ų | 108 | 88.4 Ų | 88.4 | 89% | 0.893 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -22.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113 | R1578 | R1578-A1580 PolarHBondContact O-N 3.05Š|
| 1581 | T | 65.7 | Low | 69 | Low | 116 Ų | 116 | 92.4 Ų | 92.4 | 71% | 0.712 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -17.2 | -178.7 | 20.4 | 0 | 0 | 0 | 0 | 114.6 | N1579 | N1579-T1581 PolarHBondContact O-N 2.9Å; N1579-T1581 PolarHBondContact OD1-OG1 3.17Å |
| 1582 | F | 49.3 | Very low | 69 | Low | 136 Ų | 136 | 94.1 Ų | 94.1 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -138.2 | 132.4 | -179.4 | -84 | -87 | 0 | 0 | 0 | 110.7 | N1579 F1584 | N1579-F1582 PolarHBondContact O-N 3.28Å; F1582-F1584 PolarHBondContact O-N 3.01Å |
| 1583 | P | 61.3 | Low | 69.4 | Low | 106 Ų | 106 | 93.7 Ų | 93.7 | 69% | 0.688 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -68.7 | 6.4 | -171.2 | 27.9 | -35.3 | 0 | 0 | 0 | 115.3 | ||
| 1584 | F | 62 | Low | 70 | Confident | 155 Ų | 155 | 94.1 Ų | 94.1 | 68% | 0.68 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -96.5 | 138.8 | 179.3 | -60.2 | -67 | 0 | 0 | 0 | 111.5 | F1582 T1586 | F1582-F1584 PolarHBondContact O-N 3.01Å; F1584-T1586 PolarHBondContact O-N 3.34Å |
| 1585 | L | 57.9 | Low | 70.8 | Confident | 120 Ų | 120 | 90.2 Ų | 90.2 | 63% | 0.628 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 121.6 | 171 | -67.2 | 165.7 | 0 | 0 | 0 | 109 | I1576 R1578 | I1576-L1585 HydrophobicContact CG2-CB 3.66Å; I1576-L1585 HydrophobicContact CG2-CD1 4.18Å; I1576-L1585 HydrophobicContact CG2-CD2 3.66Å; I1576-L1585 HydrophobicContact CG2-CG 4.02Å; R1578-L1585 HydrophobicContact CB-CD2 4.39Å |
| 1586 | T | 65.2 | Low | 71.7 | Confident | 51 Ų | 51 | 85.7 Ų | 85.7 | 31% | 0.313 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 128 | 174.4 | 43.8 | 0 | 0 | 0 | 0 | 110.1 | E1577 N1579 F1584 Q1588 | E1577-T1586 PolarHBondContact N-O 3.26Å; E1577-T1586 PolarHBondContact O-N 2.79Å; E1577-T1586 PolarHBondContact O-OG1 3.22Å; N1579-T1586 HydrophobicContact CB-CG2 4.26Å; F1584-T1586 PolarHBondContact O-N 3.34Å; T1586-Q1588 PolarHBondContact O-N 3.14Å |
| 1587 | V | 68 | Low | 72.9 | Confident | 64 Ų | 64 | 80.2 Ų | 80.2 | 39% | 0.388 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 108 | 175.4 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | I1574 Y1589 | I1574-V1587 HydrophobicContact CG2-CG1 3.46Å; I1574-V1587 VanDerWaalsContact CG2-CG1 3.46Å; V1587-Y1589 HydrophobicContact CG1-CE1 4.49Å; V1587-Y1589 HydrophobicContact CG1-CE2 4.18Å |
| 1588 | Q | 73.6 | Confident | 74.1 | Confident | 97 Ų | 97 | 75.3 Ų | 75.3 | 45% | 0.453 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 140.7 | 170.9 | -72 | -164.7 | 11.2 | 0 | 0 | 110.8 | E1575 E1577 T1586 | E1575-Q1588 PolarHBondContact N-O 3.06Å; E1575-Q1588 PolarHBondContact O-N 3.14Å; E1577-Q1588 VanDerWaalsContact OE2-CD 3.31Å; E1577-Q1588 PolarHBondContact OE2-NE2 3.24Å; T1586-Q1588 PolarHBondContact O-N 3.14Å |
| 1589 | Y | 75.3 | Confident | 75.5 | Confident | 41 Ų | 41 | 68.8 Ų | 68.8 | 16% | 0.161 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 112.8 | 178 | -61 | -91.7 | 0 | 0 | 0 | 108 | C1468 R1471 A1472 F1571 I1574 V1587 L1591 | C1468-Y1589 VanDerWaalsContact CA-OH 3.25Å; C1468-Y1589 WeakPolarHBondContact CA-OH 3.31Å; C1468-Y1589 WeakPolarHBondContact CB-OH 3.41Å; C1468-Y1589 PolarHBondContact O-OH 3.11Å; R1471-Y1589 HydrophobicContact CB-CE2 4.26Å; R1471-Y1589 HydrophobicContact CG-CD2 4.26Å; R1471-Y1589 HydrophobicContact CG-CE2 4.02Å; A1472-Y1589 HydrophobicContact CB-CD1 3.85Å; A1472-Y1589 HydrophobicContact CB-CE1 3.74Å; F1571-Y1589 HydrophobicContact CD2-CD1 4.21Å; F1571-Y1589 AromaticContact CE2-CD1 3.84Å; F1571-Y1589 HydrophobicContact CE2-CD1 3.84Å; I1574-Y1589 HydrophobicContact CD1-CE1 4.37Å; I1574-Y1589 HydrophobicContact CG1-CD1 4.14Å; I1574-Y1589 HydrophobicContact CG1-CE1 4.18Å; V1587-Y1589 HydrophobicContact CG1-CE1 4.49Å; V1587-Y1589 HydrophobicContact CG1-CE2 4.18Å; Y1589-L1591 PolarHBondContact O-N 3.12Å |
| 1590 | K | 80.9 | Confident | 76.9 | Confident | 94 Ų | 94 | 69.1 Ų | 69.1 | 41% | 0.409 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 123.5 | 175.8 | -165.4 | 176.5 | -157.9 | 147.5 | 0 | 108.8 | A1572 G1573 E1575 | A1572-K1590 HydrophobicContact CB-CB 4.47Å; A1572-K1590 HydrophobicContact CB-CG 4.4Å; A1572-K1590 WeakPolarHBondContact CB-O 3.19Å; A1572-K1590 PolarHBondContact N-O 3Å; G1573-K1590 PolarHBondContact N-O 2.94Å; G1573-K1590 PolarHBondContact O-N 3.05Å; E1575-K1590 IonicContact OE1-NZ 2.72Å; E1575-K1590 PolarHBondContact OE1-NZ 2.78Å |
| 1591 | L | 83.7 | Confident | 77.7 | Confident | 86 Ų | 86 | 68.6 Ų | 68.6 | 45% | 0.45 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 134.3 | 177.7 | -62.3 | -179.3 | 0 | 0 | 0 | 108.5 | A1475 H1569 G1570 Y1589 | A1475-L1591 HydrophobicContact CB-CD2 3.69Å; H1569-L1591 HydrophobicContact CB-CB 3.9Å; G1570-L1591 WeakPolarHBondContact O-CA 3.45Å; Y1589-L1591 PolarHBondContact O-N 3.12Å |
| 1592 | K | 85 | Confident | 77.6 | Confident | 87 Ų | 87 | 68.6 Ų | 68.6 | 38% | 0.378 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 146.8 | 174.8 | -77.3 | -172 | 177.5 | -170.2 | 0 | 110.1 | H1569 G1570 A1572 R1594 | H1569-K1592 CarbonylContact C-O 3.58Å; H1569-K1592 WeakPolarHBondContact CA-O 3.24Å; G1570-K1592 PolarHBondContact N-O 3.46Å; G1570-K1592 PolarHBondContact O-N 3.17Å; A1572-K1592 HydrophobicContact CB-CB 4.02Å; A1572-K1592 HydrophobicContact CB-CD 3.91Å; A1572-K1592 HydrophobicContact CB-CG 3.65Å; K1592-R1594 WeakPolarHBondContact O-CG 3.42Å; K1592-R1594 PolarHBondContact O-N 3.3Å; K1592-R1594 VanDerWaalsContact O-N 3.17Å |
| 1593 | P | 88.1 | Confident | 77.9 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 117.4 | 172.2 | 27.9 | -33.8 | 0 | 0 | 0 | 109.4 | V1551 T1552 F1567 | V1551-P1593 HydrophobicContact CG1-CB 4.06Å; V1551-P1593 PolarHBondContact N-O 3.11Å; T1552-P1593 HydrophobicContact CG2-CB 4.5Å; T1552-P1593 HydrophobicContact CG2-CG 3.93Å; F1567-P1593 HydrophobicContact CB-CB 4.15Å; F1567-P1593 HydrophobicContact CD1-CB 4.04Å; F1567-P1593 HydrophobicContact CG-CB 4.33Å |
| 1594 | R | 89.3 | Confident | 77.3 | Confident | 29 Ų | 29 | 70.8 Ų | 70.8 | 11% | 0.109 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | -21.4 | -179.6 | -57.4 | -58.4 | -166.7 | 160.1 | 23.4 | 113.3 | P1478 Y1507 G1546 D1547 S1548 D1549 F1568 F1571 K1592 | P1478-R1594 HydrophobicContact CG-CB 4.15Å; Y1507-R1594 HydrophobicContact CE1-CB 3.79Å; G1546-R1594 CarbonylContact C-O 3.48Å; G1546-R1594 VanDerWaalsContact CA-O 3.24Å; G1546-R1594 WeakPolarHBondContact CA-O 2.98Å; D1547-R1594 PolarHBondContact N-O 3.25Å; S1548-R1594 PolarHBondContact O-NH1 2.9Å; D1549-R1594 PolarHBondContact O-NH1 3.25Å; F1568-R1594 PolarHBondContact O-N 2.84Å; F1571-R1594 PolarHBondContact O-NH2 3.2Å; K1592-R1594 WeakPolarHBondContact O-CG 3.42Å; K1592-R1594 PolarHBondContact O-N 3.3Å; K1592-R1594 VanDerWaalsContact O-N 3.17Å |
| 1595 | V | 91.5 | Very high | 76.5 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 139.8 | 179.4 | 172.5 | 0 | 0 | 0 | 0 | 108.7 | P1478 A1482 Y1507 C1508 I1545 F1568 | P1478-V1595 HydrophobicContact CB-CB 4.27Å; P1478-V1595 HydrophobicContact CB-CG2 3.95Å; P1478-V1595 HydrophobicContact CG-CG2 3.96Å; A1482-V1595 HydrophobicContact CB-CG1 3.63Å; Y1507-V1595 HydrophobicContact CD1-CG2 4.01Å; Y1507-V1595 HydrophobicContact CE1-CG2 4.01Å; C1508-V1595 VanDerWaalsContact SG-CG1 3.54Å; I1545-V1595 CarbonylContact O-C 3.56Å; I1545-V1595 WeakPolarHBondContact O-CA 3.36Å; F1568-V1595 HydrophobicContact CB-CB 4.17Å; F1568-V1595 HydrophobicContact CD2-CB 4.47Å; F1568-V1595 HydrophobicContact CD2-CG1 4.14Å; F1568-V1595 PolarHBondContact N-O 3.16Å; F1568-V1595 PolarHBondContact O-N 3.33Å |
| 1596 | A | 91.6 | Very high | 76 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.1 | I1545 V1551 T1564 Y1566 F1567 | I1545-A1596 HydrophobicContact CD1-CB 4.27Å; I1545-A1596 HydrophobicContact CG1-CB 3.91Å; I1545-A1596 PolarHBondContact N-O 3.36Å; I1545-A1596 PolarHBondContact O-N 2.72Å; V1551-A1596 HydrophobicContact CG1-CB 4.2Å; V1551-A1596 HydrophobicContact CG2-CB 3.97Å; T1564-A1596 HydrophobicContact CG2-CB 4.47Å; Y1566-A1596 WeakPolarHBondContact O-CA 3.48Å; F1567-A1596 HydrophobicContact CD1-CB 3.76Å; F1567-A1596 HydrophobicContact CE1-CB 3.73Å |
| 1597 | L | 93.2 | Very high | 74.9 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.2 | 171.6 | 172.2 | 56.7 | 0 | 0 | 0 | 109.4 | L1486 Y1542 L1544 L1565 Y1566 F1568 | L1486-L1597 HydrophobicContact CB-CD1 4.3Å; L1486-L1597 HydrophobicContact CB-CD2 3.86Å; L1486-L1597 HydrophobicContact CD1-CD1 3.8Å; L1486-L1597 HydrophobicContact CD1-CD2 4.14Å; L1486-L1597 HydrophobicContact CD2-CD1 4.37Å; L1486-L1597 HydrophobicContact CG-CD1 4.38Å; Y1542-L1597 HydrophobicContact CD1-CD1 4.35Å; L1544-L1597 HydrophobicContact CD2-CB 3.87Å; L1544-L1597 HydrophobicContact CD2-CD1 3.58Å; L1544-L1597 HydrophobicContact CD2-CG 4.2Å; L1544-L1597 HydrophobicContact CG-CD1 4.25Å; L1565-L1597 HydrophobicContact CB-CG 4.42Å; L1565-L1597 HydrophobicContact CD1-CD2 4.47Å; L1565-L1597 HydrophobicContact CD1-CG 4.33Å; L1565-L1597 PolarHBondContact N-O 3.21Å; Y1566-L1597 HydrophobicContact CD2-CD2 4.05Å; Y1566-L1597 PolarHBondContact N-O 3.06Å; Y1566-L1597 PolarHBondContact O-N 2.86Å; F1568-L1597 HydrophobicContact CE2-CB 3.9Å |
| 1598 | L | 91.8 | Very high | 73.7 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 146 | -175.6 | -63.4 | 168.9 | 0 | 0 | 0 | 110.6 | Y1542 L1543 I1545 N1555 Y1558 H1562 R1563 T1564 | Y1542-L1598 VanDerWaalsContact CA-O 3.26Å; Y1542-L1598 WeakPolarHBondContact CA-O 3.14Å; L1543-L1598 HydrophobicContact CB-CB 4.02Å; L1543-L1598 HydrophobicContact CB-CD1 4.12Å; L1543-L1598 HydrophobicContact CD1-CD1 4.2Å; L1543-L1598 PolarHBondContact N-O 3.18Å; L1543-L1598 PolarHBondContact O-N 3.13Å; I1545-L1598 HydrophobicContact CD1-CD1 3.52Å; I1545-L1598 HydrophobicContact CD1-CG 4.45Å; I1545-L1598 HydrophobicContact CG1-CD1 3.79Å; I1545-L1598 HydrophobicContact CG1-CG 4.48Å; I1545-L1598 HydrophobicContact CG2-CD1 4.3Å; N1555-L1598 WeakPolarHBondContact OD1-CD2 3.41Å; Y1558-L1598 HydrophobicContact CD2-CD1 4.01Å; Y1558-L1598 HydrophobicContact CG-CD1 4.08Å; H1562-L1598 HydrophobicContact CB-CB 3.96Å; R1563-L1598 WeakPolarHBondContact O-CA 3.48Å; T1564-L1598 VanDerWaalsContact CA-CD2 3.44Å; T1564-L1598 HydrophobicContact CG2-CD2 4.05Å; T1564-L1598 WeakPolarHBondContact OG1-CD2 3.31Å |
| 1599 | K | 91 | Very high | 72 | Confident | 64 Ų | 64 | 80.7 Ų | 80.7 | 28% | 0.278 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.5 | 175 | 178.2 | -179.5 | -175.5 | 175 | 0 | 110 | E1493 Y1542 H1562 R1563 L1565 | E1493-K1599 IonicContact OE1-NZ 3.66Å; E1493-K1599 PolarHBondContact OE1-NZ 2.86Å; E1493-K1599 IonicContact OE2-NZ 2.84Å; E1493-K1599 PolarHBondContact OE2-NZ 3.04Å; Y1542-K1599 HydrophobicContact CD1-CB 3.99Å; Y1542-K1599 HydrophobicContact CD1-CG 4.2Å; Y1542-K1599 HydrophobicContact CE1-CB 3.8Å; Y1542-K1599 HydrophobicContact CE1-CD 3.86Å; Y1542-K1599 HydrophobicContact CE1-CG 3.65Å; Y1542-K1599 WeakPolarHBondContact OH-CE 3.3Å; H1562-K1599 CarbonylContact C-O 3.56Å; H1562-K1599 WeakPolarHBondContact CA-O 3.46Å; R1563-K1599 PolarHBondContact N-O 3.41Å; R1563-K1599 PolarHBondContact O-N 3.3Å; L1565-K1599 HydrophobicContact CD1-CB 3.8Å; L1565-K1599 HydrophobicContact CD1-CD 4.44Å; L1565-K1599 HydrophobicContact CD2-CB 4.24Å; L1565-K1599 HydrophobicContact CG-CB 3.98Å |
| 1600 | K | 87.7 | Confident | 70.6 | Confident | 70 Ų | 70 | 84.1 Ų | 84.1 | 30% | 0.304 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 132.1 | 178.6 | -168.1 | 169 | -179.3 | 161.5 | 0 | 111.2 | I1538 D1539 F1540 D1541 H1562 | I1538-K1600 WeakPolarHBondContact O-CE 3.02Å; I1538-K1600 PolarHBondContact O-NZ 3.24Å; D1539-K1600 IonicContact OD1-NZ 2.77Å; F1540-K1600 WeakPolarHBondContact O-CD 3.34Å; D1541-K1600 WeakPolarHBondContact O-CB 3.31Å; D1541-K1600 PolarHBondContact O-N 3.21Å; H1562-K1600 VanDerWaalsContact CD2-CA 3.43Å; H1562-K1600 WeakPolarHBondContact CD2-CA 3.47Å; H1562-K1600 PolarHBondContact CD2-N 2.64Å; H1562-K1600 VanDerWaalsContact CD2-N 3.31Å |
| 1601 | E | 78.9 | Confident | 68.4 | Low | 97 Ų | 97 | 86.1 Ų | 86.1 | 45% | 0.453 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -99.4 | 145.6 | 171.6 | -72.7 | -160 | 162.3 | 0 | 0 | 110.9 | T1561 R1563 L1603 | T1561-E1601 PolarHBondContact O-N 2.94Å; R1563-E1601 HydrophobicContact CB-CG 3.86Å; R1563-E1601 WeakPolarHBondContact CB-OE1 3.35Å; R1563-E1601 WeakPolarHBondContact CD-OE1 3.3Å; E1601-L1603 PolarHBondContact O-N 2.93Å |
| 1602 | P | 63.8 | Low | 66.3 | Low | 117 Ų | 117 | 88.6 Ų | 88.6 | 76% | 0.76 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -65 | 122.3 | 170.1 | 26.1 | -30.3 | 0 | 0 | 0 | 109.1 | I1604 | P1602-I1604 PolarHBondContact O-N 3.21Š|
| 1603 | L | 56.1 | Low | 63.9 | Low | 147 Ų | 147 | 93.5 Ų | 93.5 | 77% | 0.77 | 52% | 0.517 | S | S | * | . | trans | -53.6 | 110.8 | 172.7 | -81.9 | 151.8 | 0 | 0 | 0 | 109 | E1601 T1605 | E1601-L1603 PolarHBondContact O-N 2.93Å; L1603-T1605 PolarHBondContact O-N 2.77Å | ||
| 1604 | I | 48.4 | Very low | 61.3 | Low | 141 Ų | 141 | 100.7 Ų | 100.7 | 72% | 0.723 | 58% | 0.578 | S | S | * | * | trans | -71.2 | 102.6 | 172.4 | -55.4 | 173.6 | 0 | 0 | 0 | 106.4 | P1602 T1606 | P1602-I1604 PolarHBondContact O-N 3.21Å; I1604-T1606 VanDerWaalsContact C-N 3.26Å; I1604-T1606 HydrophobicContact CG2-CG2 4.01Å; I1604-T1606 PolarHBondContact O-N 3.25Å | ||
| 1605 | T | 46.4 | Very low | 59.9 | Low | 134 Ų | 134 | 104.3 Ų | 104.3 | 82% | 0.822 | 60% | 0.602 | S | S | * | * | trans | -69.6 | 85.5 | 167.5 | 41.7 | 0 | 0 | 0 | 0 | 108.6 | L1603 T1607 | L1603-T1605 PolarHBondContact O-N 2.77Å; T1605-T1607 PolarHBondContact O-N 3.29Å | ||
| 1606 | T | 45.6 | Very low | 58.2 | Low | 114 Ų | 114 | 109.8 Ų | 109.8 | 70% | 0.699 | 63% | 0.633 | S | S | * | * | trans | -74.7 | 103.5 | 167.1 | 31.7 | 0 | 0 | 0 | 0 | 108.9 | I1604 V1608 | I1604-T1606 VanDerWaalsContact C-N 3.26Å; I1604-T1606 HydrophobicContact CG2-CG2 4.01Å; I1604-T1606 PolarHBondContact O-N 3.25Å; T1606-V1608 PolarHBondContact O-N 2.93Å | ||
| 1607 | T | 43.7 | Very low | 56.4 | Low | 132 Ų | 132 | 115.9 Ų | 115.9 | 81% | 0.81 | 67% | 0.669 | S | S | * | * | trans | -57.7 | 119.9 | 157.4 | 40.7 | 0 | 0 | 0 | 0 | 108.2 | T1605 E1609 | T1605-T1607 PolarHBondContact O-N 3.29Å; T1607-E1609 PolarHBondContact O-N 3.15Å; T1607-E1609 VanDerWaalsContact O-N 3.15Å | ||
| 1608 | V | 42.2 | Very low | 54.2 | Low | 137 Ų | 137 | 122.7 Ų | 122.7 | 83% | 0.83 | 71% | 0.708 | S | S | * | * | trans | -69 | 104 | -179.9 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | T1606 | T1606-V1608 PolarHBondContact O-N 2.93Š| ||
| 1609 | E | 38 | Very low | 51.9 | Low | 178 Ų | 178 | 130.4 Ų | 130.4 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | -91.8 | 133.5 | 157.5 | -85.3 | -173.1 | 160.9 | 0 | 0 | 109 | T1607 | T1607-E1609 PolarHBondContact O-N 3.15Å; T1607-E1609 VanDerWaalsContact O-N 3.15Å | ||
| 1610 | P | 45.3 | Very low | 49.3 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -96.6 | 110.4 | -176.9 | 34 | -27.3 | 0 | 0 | 0 | 111.7 | ||||
| 1611 | V | 35.8 | Very low | 46.5 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -150.7 | 100.1 | 157.1 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1612 | V | 38.8 | Very low | 44 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 84% | 0.836 | 85% | 0.846 | S | S | * | * | 66.8 | 121 | 107.8 | -174.3 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1613 | E | 35 | Very low | 42.4 | Very low | 191 Ų | 191 | 144.8 Ų | 144.8 | 89% | 0.893 | 85% | 0.853 | S | S | * | * | trans | -53.8 | 139.8 | -175.4 | -66.1 | 166 | 143.6 | 0 | 0 | 116 | ||||
| 1614 | A | 33.3 | Very low | 41.1 | Very low | 178 Ų | 178 | 144.6 Ų | 144.6 | 100% | 1.471 | 86% | 0.861 | S | S | * | * | trans | -143.9 | 0 | 145.8 | 0 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 1,614 of 1,614 residues in 382.1 ms
(Link to these results)