| 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 | 66.1 | Low | 82.1 | Confident | 58 Ų | 58 | 35.1 Ų | 35.1 | 29% | 0.286 | 18% | 0.176 | S | C | . | . | 0 | 134.2 | 0 | -163.4 | 179.4 | -155 | 0 | 0 | 106.5 | R264 I265 L266 H803 F806 | M1-R264 HydrophobicContact CE-CB 3.17Å; M1-R264 HydrophobicContact CE-CG 4.22Å; M1-R264 HydrophobicContact CG-CB 4.1Å; M1-R264 HydrophobicContact SD-CB 3.63Å; M1-R264 HydrophobicContact SD-CG 4.33Å; M1-I265 WeakPolarHBondContact CA-O 3.49Å; M1-I265 VanDerWaalsContact CG-O 3.27Å; M1-I265 WeakPolarHBondContact CG-O 2.82Å; M1-L266 HydrophobicContact CE-CD2 3.89Å; M1-L266 HydrophobicContact CE-CG 4.36Å; M1-H803 VanDerWaalsContact CE-CE1 3.42Å; M1-H803 WeakPolarHBondContact CE-CE1 3.31Å; M1-H803 WeakPolarHBondContact CE-ND1 3.23Å; M1-F806 HydrophobicContact CB-CB 4.44Å; M1-F806 HydrophobicContact CB-CD1 4.04Å; M1-F806 HydrophobicContact CB-CG 4.37Å; M1-F806 HydrophobicContact CE-CB 4.45Å; M1-F806 HydrophobicContact SD-CB 3.74Å; M1-F806 HydrophobicContact SD-CG 4.47Å | |||
| 2 | A | 68.8 | Low | 82.9 | Confident | 59 Ų | 59 | 33.1 Ų | 33.1 | 49% | 0.488 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 133.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | R264 I265 | A2-R264 CarbonylContact O-C 3.48Å; A2-R264 WeakPolarHBondContact O-CA 3.43Å; A2-I265 HydrophobicContact CB-CB 4.4Å; A2-I265 PolarHBondContact N-O 2.55Å; A2-I265 PolarHBondContact O-N 3.06Å |
| 3 | Q | 73.4 | Confident | 83.7 | Confident | 96 Ų | 96 | 35.1 Ų | 35.1 | 45% | 0.449 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 121.7 | 168.9 | -174.6 | 174.1 | 0.4 | 0 | 0 | 108.5 | ||
| 4 | N | 76.8 | Confident | 84.4 | Confident | 26 Ų | 26 | 32.7 Ų | 32.7 | 14% | 0.139 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 122.1 | 174.2 | -168.1 | 6.5 | 0 | 0 | 0 | 108.7 | D263 I265 | N4-D263 HydrophobicContact CB-CB 4.42Å; N4-D263 PolarHBondContact N-O 2.81Å; N4-D263 PolarHBondContact O-N 2.9Å; N4-I265 HydrophobicContact CB-CD1 3.92Å |
| 5 | T | 83.2 | Confident | 85 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 118.7 | 173.6 | -50.7 | 0 | 0 | 0 | 0 | 107.6 | L61 F65 L260 E262 | T5-L61 WeakPolarHBondContact CB-O 3.49Å; T5-L61 HydrophobicContact CG2-CB 4.48Å; T5-L61 WeakPolarHBondContact O-CA 3.4Å; T5-L61 PolarHBondContact O-N 3.14Å; T5-L61 PolarHBondContact OG1-O 2.84Å; T5-F65 HydrophobicContact CG2-CD1 4.29Å; T5-F65 HydrophobicContact CG2-CE1 4.27Å; T5-L260 HydrophobicContact CG2-CD1 3.45Å; T5-L260 VanDerWaalsContact CG2-CD1 3.45Å; T5-E262 HydrophobicContact CG2-CG 4.03Å |
| 6 | S | 85.4 | Confident | 85.4 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.7 | 176.8 | -63.7 | 0 | 0 | 0 | 0 | 110.7 | L59 H60 V261 | S6-L59 CarbonylContact C-O 3.57Å; S6-L59 VanDerWaalsContact CA-O 3.24Å; S6-L59 WeakPolarHBondContact CA-O 3.26Å; S6-H60 PolarHBondContact OG-ND1 3.5Å; S6-V261 PolarHBondContact N-O 3.21Å; S6-V261 PolarHBondContact O-N 2.96Å |
| 7 | L | 87.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 119.9 | 172.5 | -80.7 | 177 | 0 | 0 | 0 | 109.7 | F9 T58 L59 L61 F65 L68 I94 L260 | L7-F9 HydrophobicContact CB-CD1 4.45Å; L7-T58 CarbonylContact O-C 3.51Å; L7-T58 WeakPolarHBondContact O-CA 3.42Å; L7-L59 HydrophobicContact CB-CB 4.28Å; L7-L59 PolarHBondContact N-O 2.8Å; L7-L59 PolarHBondContact O-N 2.68Å; L7-L61 HydrophobicContact CB-CD1 4.41Å; L7-L61 HydrophobicContact CD1-CD1 3.45Å; L7-L61 VanDerWaalsContact CD1-CD1 3.45Å; L7-L61 HydrophobicContact CG-CD1 3.9Å; L7-F65 HydrophobicContact CD1-CD1 3.92Å; L7-F65 HydrophobicContact CD1-CD2 4.04Å; L7-F65 HydrophobicContact CD1-CE1 3.73Å; L7-F65 HydrophobicContact CD1-CE2 3.84Å; L7-F65 HydrophobicContact CD1-CG 4.1Å; L7-F65 HydrophobicContact CD1-CZ 3.7Å; L7-F65 HydrophobicContact CD2-CE1 3.85Å; L7-F65 HydrophobicContact CD2-CE2 4.42Å; L7-F65 HydrophobicContact CD2-CZ 3.65Å; L7-F65 HydrophobicContact CG-CD1 4.34Å; L7-F65 HydrophobicContact CG-CE1 3.84Å; L7-F65 HydrophobicContact CG-CZ 4.02Å; L7-L68 HydrophobicContact CD1-CD1 4.46Å; L7-L68 HydrophobicContact CD1-CD2 4.43Å; L7-I94 HydrophobicContact CD2-CD1 4.38Å; L7-L260 HydrophobicContact CD2-CB 4.04Å; L7-L260 HydrophobicContact CD2-CD1 3.8Å; L7-L260 HydrophobicContact CG-CD1 4.27Å |
| 8 | Y | 87 | Confident | 86 | Confident | 64 Ų | 64 | 38.8 Ų | 38.8 | 25% | 0.251 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.5 | 171.2 | -58.4 | -94.4 | 0 | 0 | 0 | 107.8 | T58 V258 R259 V261 | Y8-T58 HydrophobicContact CD1-CG2 3.79Å; Y8-T58 WeakPolarHBondContact CD1-OG1 3.3Å; Y8-T58 HydrophobicContact CE1-CG2 3.46Å; Y8-T58 VanDerWaalsContact CE1-CG2 3.46Å; Y8-V258 CarbonylContact O-C 3.52Å; Y8-V258 WeakPolarHBondContact O-CA 3.23Å; Y8-R259 VanDerWaalsContact CD2-NH2 3.28Å; Y8-R259 VanDerWaalsContact CE2-NH2 3.33Å; Y8-R259 PolarHBondContact N-O 3.29Å; Y8-R259 PolarHBondContact O-N 3.49Å; Y8-V261 HydrophobicContact CD2-CG2 3.82Å; Y8-V261 HydrophobicContact CE2-CB 4.1Å; Y8-V261 HydrophobicContact CE2-CG2 3.57Å |
| 9 | F | 89.8 | Confident | 86 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 149.1 | 174.1 | 57.7 | -88.1 | 0 | 0 | 0 | 113.1 | L7 V32 E56 F57 L59 L68 F70 K257 V258 | L7-F9 HydrophobicContact CB-CD1 4.45Å; F9-V32 HydrophobicContact CE2-CB 4.33Å; F9-V32 HydrophobicContact CE2-CG1 3.83Å; F9-V32 HydrophobicContact CE2-CG2 3.9Å; F9-V32 HydrophobicContact CZ-CB 4.44Å; F9-V32 HydrophobicContact CZ-CG1 3.74Å; F9-V32 HydrophobicContact CZ-CG2 4.48Å; F9-E56 WeakPolarHBondContact O-CA 3.48Å; F9-F57 HydrophobicContact CD2-CB 4.08Å; F9-F57 HydrophobicContact CD2-CD2 4.01Å; F9-F57 HydrophobicContact CD2-CG 4.48Å; F9-F57 HydrophobicContact CE1-CB 3.94Å; F9-F57 HydrophobicContact CE2-CB 3.45Å; F9-F57 VanDerWaalsContact CE2-CB 3.45Å; F9-F57 AromaticContact CE2-CD2 3.41Å; F9-F57 HydrophobicContact CE2-CD2 3.41Å; F9-F57 VanDerWaalsContact CE2-CD2 3.41Å; F9-F57 HydrophobicContact CE2-CE2 4.4Å; F9-F57 AromaticContact CE2-CG 3.68Å; F9-F57 HydrophobicContact CE2-CG 3.68Å; F9-F57 HydrophobicContact CZ-CB 3.37Å; F9-F57 HydrophobicContact CZ-CD2 4.15Å; F9-F57 AromaticContact CZ-CG 3.94Å; F9-F57 HydrophobicContact CZ-CG 3.94Å; F9-F57 PolarHBondContact N-O 2.65Å; F9-F57 PolarHBondContact O-N 2.92Å; F9-L59 HydrophobicContact CE1-CD1 3.5Å; F9-L59 VanDerWaalsContact CE1-CD1 3.5Å; F9-L59 HydrophobicContact CE1-CG 3.8Å; F9-L59 HydrophobicContact CZ-CD1 3.98Å; F9-L59 HydrophobicContact CZ-CG 4.3Å; F9-L68 HydrophobicContact CD1-CD2 4.28Å; F9-L68 HydrophobicContact CE1-CD1 4.44Å; F9-F70 HydrophobicContact CB-CZ 4.3Å; F9-F70 AromaticContact CD2-CE1 3.77Å; F9-F70 HydrophobicContact CD2-CE1 3.77Å; F9-F70 HydrophobicContact CD2-CZ 4.17Å; F9-F70 HydrophobicContact CE2-CE1 4.26Å; F9-F70 HydrophobicContact CG-CE1 4.33Å; F9-F70 HydrophobicContact CG-CZ 4.28Å; F9-K257 CarbonylContact C-O 3.52Å; F9-K257 WeakPolarHBondContact CA-O 3.32Å; F9-K257 WeakPolarHBondContact CB-O 3.47Å; F9-V258 HydrophobicContact CB-CB 4.39Å; F9-V258 HydrophobicContact CB-CG1 4.3Å; F9-V258 HydrophobicContact CB-CG2 4Å |
| 10 | R | 91.1 | Very high | 86 | Confident | 72 Ų | 72 | 41.3 Ų | 41.3 | 27% | 0.272 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 124.9 | 175.7 | -169.9 | 174.5 | -168 | 165.3 | -7.8 | 109.9 | V12 G54 E55 E56 K257 | R10-V12 HydrophobicContact CB-CG2 4.37Å; R10-V12 HydrophobicContact CG-CG2 3.9Å; R10-V12 PolarHBondContact O-N 3.45Å; R10-G54 PolarHBondContact NE-O 2.96Å; R10-E55 VanDerWaalsContact CA-O 3.31Å; R10-E55 WeakPolarHBondContact CA-O 3.39Å; R10-E56 HydrophobicContact CB-CG 3.84Å; R10-E56 WeakPolarHBondContact CD-OE1 3.21Å; R10-E56 HydrophobicContact CG-CG 3.5Å; R10-E56 IonicContact CZ-OE1 3.21Å; R10-E56 IonicContact NE-OE1 2.66Å; R10-E56 PolarHBondContact NE-OE1 2.92Å; R10-E56 IonicContact NH1-OE1 3.61Å; R10-E56 PolarHBondContact NH1-OE1 3.47Å; R10-K257 HydrophobicContact CB-CB 4.03Å; R10-K257 HydrophobicContact CB-CG 4.36Å; R10-K257 PolarHBondContact N-O 3.47Å; R10-K257 PolarHBondContact O-N 3.45Å |
| 11 | I | 93.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 97.6 | 169.2 | -57.1 | 165.3 | 0 | 0 | 0 | 105.9 | C30 V32 T42 W53 G54 E55 F57 F70 L256 | I11-C30 HydrophobicContact CD1-CB 3.97Å; I11-C30 HydrophobicContact CG2-CB 4.34Å; I11-V32 HydrophobicContact CD1-CG2 3.58Å; I11-T42 HydrophobicContact CB-CG2 4.25Å; I11-T42 HydrophobicContact CD1-CG2 3.49Å; I11-T42 VanDerWaalsContact CD1-CG2 3.49Å; I11-T42 HydrophobicContact CG1-CG2 4.47Å; I11-T42 HydrophobicContact CG2-CG2 4.34Å; I11-W53 HydrophobicContact CG2-CB 4.48Å; I11-W53 HydrophobicContact CG2-CD2 4.2Å; I11-W53 HydrophobicContact CG2-CE3 3.76Å; I11-W53 HydrophobicContact CG2-CZ3 4.29Å; I11-G54 WeakPolarHBondContact O-CA 3.2Å; I11-G54 PolarHBondContact O-N 2.99Å; I11-E55 PolarHBondContact N-O 3.28Å; I11-E55 PolarHBondContact O-N 3.4Å; I11-F57 HydrophobicContact CD1-CE2 4.35Å; I11-F70 HydrophobicContact CD1-CD1 3.89Å; I11-F70 HydrophobicContact CD1-CE1 4.09Å; I11-F70 HydrophobicContact CG1-CD1 3.86Å; I11-F70 HydrophobicContact CG1-CE1 3.81Å; I11-L256 HydrophobicContact CB-CD2 4.35Å; I11-L256 HydrophobicContact CG1-CD2 4.05Å; I11-L256 HydrophobicContact CG2-CD2 4.25Å |
| 12 | V | 92 | Very high | 86.1 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 7% | 0.067 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -67.3 | -169.4 | -172 | 0 | 0 | 0 | 0 | 109.9 | R10 F52 W53 G54 R255 K257 | R10-V12 HydrophobicContact CB-CG2 4.37Å; R10-V12 HydrophobicContact CG-CG2 3.9Å; R10-V12 PolarHBondContact O-N 3.45Å; V12-F52 HydrophobicContact CG1-CE2 4.21Å; V12-W53 PolarHBondContact O-N 3.14Å; V12-G54 PolarHBondContact O-N 3.21Å; V12-R255 HydrophobicContact CB-CB 4.18Å; V12-R255 HydrophobicContact CB-CG 4.2Å; V12-R255 WeakPolarHBondContact CB-O 3.09Å; V12-R255 HydrophobicContact CG2-CG 4.28Å; V12-R255 PolarHBondContact N-O 2.62Å; V12-K257 HydrophobicContact CG2-CG 3.97Å |
| 13 | E | 93.1 | Very high | 86.3 | Confident | 59 Ų | 59 | 46.4 Ų | 46.4 | 28% | 0.276 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 154.6 | -172.1 | 55.3 | -175.8 | 163.6 | 0 | 0 | 110.9 | P51 F52 W104 L254 R255 | E13-P51 CarbonylContact C-O 3.54Å; E13-P51 WeakPolarHBondContact CA-O 3.4Å; E13-P51 WeakPolarHBondContact CB-O 3.32Å; E13-F52 HydrophobicContact CB-CD2 4.2Å; E13-W104 HydrophobicContact CG-CH2 3.62Å; E13-W104 HydrophobicContact CG-CZ2 4.02Å; E13-W104 HydrophobicContact CG-CZ3 4.45Å; E13-L254 CarbonylContact O-C 3.54Å; E13-L254 WeakPolarHBondContact O-CA 3.36Å; E13-R255 HydrophobicContact CG-CB 3.9Å; E13-R255 PolarHBondContact O-N 3.19Å; E13-R255 IonicContact OE1-NH1 3.03Å |
| 14 | G | 94.3 | Very high | 86.6 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 154.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | N50 P51 W53 A253 | G14-N50 CarbonylContact O-C 3.57Å; G14-N50 WeakPolarHBondContact O-CA 3.26Å; G14-P51 PolarHBondContact N-O 3.19Å; G14-W53 VanDerWaalsContact N-CZ3 3.31Å; G14-A253 CarbonylContact C-O 3.56Å; G14-A253 WeakPolarHBondContact CA-O 3.24Å |
| 15 | R | 93.4 | Very high | 86.9 | Confident | 91 Ų | 91 | 44.3 Ų | 44.3 | 34% | 0.343 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 147.2 | 172.7 | 72.8 | -177.3 | 178.5 | -171.2 | -1.3 | 112.2 | L17 N50 W104 G252 A253 | R15-L17 PolarHBondContact O-N 2.94Å; R15-N50 VanDerWaalsContact CA-OD1 3.27Å; R15-N50 WeakPolarHBondContact CA-OD1 3.27Å; R15-W104 HydrophobicContact CB-CH2 3.82Å; R15-W104 HydrophobicContact CB-CZ3 3.79Å; R15-W104 VanDerWaalsContact CD-CZ3 3.43Å; R15-W104 HydrophobicContact CG-CE3 3.9Å; R15-W104 HydrophobicContact CG-CH2 3.81Å; R15-W104 HydrophobicContact CG-CZ3 3.39Å; R15-G252 CarbonylContact O-C 3.44Å; R15-G252 WeakPolarHBondContact O-CA 3.32Å; R15-A253 HydrophobicContact CG-CB 4.14Å; R15-A253 PolarHBondContact N-O 2.59Å; R15-A253 PolarHBondContact O-N 3.46Å |
| 16 | N | 91.7 | Very high | 87.1 | Confident | 111 Ų | 111 | 44.2 Ų | 44.2 | 59% | 0.594 | 25% | 0.247 | S | C | * | . | S | Bend | trans | 51.6 | 39.1 | 176 | -56.7 | -41.9 | 0 | 0 | 0 | 112.9 | L49 N50 G252 | N16-L49 PolarHBondContact N-O 3.13Å; N16-N50 PolarHBondContact N-OD1 3.12Å; N16-G252 WeakPolarHBondContact O-CA 3.43Å; N16-G252 PolarHBondContact O-N 3.04Å |
| 17 | L | 92.4 | Very high | 87.2 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 145 | 173.8 | -58.2 | -178.2 | 0 | 0 | 0 | 109.3 | R15 P28 L49 P51 W53 V72 I84 L107 | R15-L17 PolarHBondContact O-N 2.94Å; L17-P28 HydrophobicContact CD1-CB 3.68Å; L17-P28 HydrophobicContact CD1-CG 3.85Å; L17-L49 PolarHBondContact N-O 3.1Å; L17-L49 WeakPolarHBondContact O-CD2 3.4Å; L17-P51 HydrophobicContact CD1-CG 3.67Å; L17-W53 HydrophobicContact CD1-CH2 4.33Å; L17-V72 HydrophobicContact CD1-CG1 4.24Å; L17-I84 HydrophobicContact CD2-CG2 4.33Å; L17-L107 HydrophobicContact CD2-CD1 3.54Å |
| 18 | P | 88.4 | Confident | 87.4 | Confident | 34 Ų | 34 | 44.4 Ų | 44.4 | 22% | 0.221 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 145.4 | 174.5 | 29 | -35.1 | 0 | 0 | 0 | 110 | S26 I84 L251 | P18-S26 PolarHBondContact O-OG 3.02Å; P18-I84 HydrophobicContact CG-CG2 3.72Å; P18-L251 VanDerWaalsContact CD-O 3.31Å; P18-L251 WeakPolarHBondContact CD-O 3.31Å |
| 19 | A | 86.8 | Confident | 87.6 | Confident | 47 Ų | 47 | 42 Ų | 42 | 39% | 0.388 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -78.4 | 122.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G24 T25 L49 | A19-G24 VanDerWaalsContact CB-C 3.41Å; A19-T25 WeakPolarHBondContact CA-O 3.2Å; A19-T25 WeakPolarHBondContact CB-O 3.31Å; A19-L49 HydrophobicContact CB-CD1 4.34Å; A19-L49 HydrophobicContact CB-CD2 4.15Å |
| 20 | K | 84.6 | Confident | 87.7 | Confident | 80 Ų | 80 | 41.7 Ų | 41.7 | 35% | 0.348 | 24% | 0.237 | S | C | . | . | trans | -101 | -24.7 | 170 | -47.3 | -68.5 | -163.1 | 115.8 | 0 | 112.5 | T25 S26 D74 D82 V83 I84 | K20-T25 PolarHBondContact N-O 3.17Å; K20-S26 PolarHBondContact N-OG 2.72Å; K20-D74 HydrophobicContact CB-CB 4.39Å; K20-D74 WeakPolarHBondContact CB-OD2 3.21Å; K20-D74 HydrophobicContact CG-CB 4.17Å; K20-D74 WeakPolarHBondContact CG-OD2 3.47Å; K20-D82 HydrophobicContact CB-CB 4.37Å; K20-D82 HydrophobicContact CG-CB 4.15Å; K20-V83 PolarHBondContact NZ-O 3.23Å; K20-I84 HydrophobicContact CG-CG1 4.28Å | ||
| 21 | D | 80.1 | Confident | 87.6 | Confident | 28 Ų | 28 | 39.6 Ų | 39.6 | 15% | 0.15 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -70.2 | 148.3 | 177.7 | -58.6 | -42.5 | 0 | 0 | 0 | 112.7 | S23 G24 T25 S26 | D21-S23 VanDerWaalsContact CB-OG 3.3Å; D21-S23 WeakPolarHBondContact CB-OG 3.37Å; D21-S23 PolarHBondContact O-N 2.98Å; D21-G24 PolarHBondContact O-N 2.86Å; D21-T25 WeakPolarHBondContact CB-O 3.41Å; D21-T25 PolarHBondContact N-O 2.65Å; D21-T25 VanDerWaalsContact OD2-C 3.27Å; D21-T25 PolarHBondContact OD2-OG1 3.46Å; D21-S26 VanDerWaalsContact OD2-CA 3.31Å; D21-S26 WeakPolarHBondContact OD2-CA 3.47Å; D21-S26 PolarHBondContact OD2-N 3.47Å |
| 22 | V | 74.7 | Confident | 87.4 | Confident | 162 Ų | 162 | 39.6 Ų | 39.6 | 98% | 0.982 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.5 | 167.7 | -174.1 | 0 | 0 | 0 | 0 | 112 | G24 | V22-G24 PolarHBondContact O-N 3.36Š|
| 23 | S | 72.8 | Confident | 87.1 | Confident | 77 Ų | 77 | 40.6 Ų | 40.6 | 54% | 0.538 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -4.3 | 175.1 | 48.3 | 0 | 0 | 0 | 0 | 114.8 | D21 T25 | D21-S23 VanDerWaalsContact CB-OG 3.3Å; D21-S23 WeakPolarHBondContact CB-OG 3.37Å; D21-S23 PolarHBondContact O-N 2.98Å; S23-T25 PolarHBondContact OG-OG1 3.2Å |
| 24 | G | 79.4 | Confident | 86.7 | Confident | 48 Ų | 48 | 38.3 Ų | 38.3 | 50% | 0.495 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 76.4 | 25.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A19 D21 V22 | A19-G24 VanDerWaalsContact CB-C 3.41Å; D21-G24 PolarHBondContact O-N 2.86Å; V22-G24 PolarHBondContact O-N 3.36Å |
| 25 | T | 83.9 | Confident | 85.9 | Confident | 29 Ų | 29 | 40.2 Ų | 40.2 | 18% | 0.178 | 23% | 0.234 | C | C | . | . | trans | -132.8 | -175.2 | 176.7 | 56.3 | 0 | 0 | 0 | 0 | 110.2 | A19 K20 D21 S23 K47 | A19-T25 WeakPolarHBondContact CA-O 3.2Å; A19-T25 WeakPolarHBondContact CB-O 3.31Å; K20-T25 PolarHBondContact N-O 3.17Å; D21-T25 WeakPolarHBondContact CB-O 3.41Å; D21-T25 PolarHBondContact N-O 2.65Å; D21-T25 VanDerWaalsContact OD2-C 3.27Å; D21-T25 PolarHBondContact OD2-OG1 3.46Å; S23-T25 PolarHBondContact OG-OG1 3.2Å; T25-K47 HydrophobicContact CG2-CB 4.2Å | ||
| 26 | S | 86.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -137.6 | 159.1 | 164 | -77.5 | 0 | 0 | 0 | 0 | 108.4 | P18 K20 D21 P28 K47 N48 D74 | P18-S26 PolarHBondContact O-OG 3.02Å; K20-S26 PolarHBondContact N-OG 2.72Å; D21-S26 VanDerWaalsContact OD2-CA 3.31Å; D21-S26 WeakPolarHBondContact OD2-CA 3.47Å; D21-S26 PolarHBondContact OD2-N 3.47Å; S26-P28 WeakPolarHBondContact O-CD 3.29Å; S26-K47 CarbonylContact O-C 3.59Å; S26-K47 VanDerWaalsContact O-CA 3.23Å; S26-K47 WeakPolarHBondContact O-CA 3.47Å; S26-K47 PolarHBondContact O-N 2.85Å; S26-K47 VanDerWaalsContact O-N 3.15Å; S26-N48 PolarHBondContact O-N 2.94Å; S26-D74 WeakPolarHBondContact CA-OD2 3.38Å; S26-D74 WeakPolarHBondContact CB-OD2 3.45Å; S26-D74 PolarHBondContact OG-OD2 3.43Å | ||
| 27 | D | 87.7 | Confident | 84.1 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | trans | -105.5 | 63.5 | 171.6 | -63.8 | -36 | 0 | 0 | 0 | 110 | T44 V45 W46 K47 D74 E75 | D27-T44 HydrophobicContact CB-CG2 3.98Å; D27-T44 WeakPolarHBondContact O-CG2 3.47Å; D27-V45 WeakPolarHBondContact CA-O 3.48Å; D27-W46 HydrophobicContact CB-CE3 3.92Å; D27-W46 HydrophobicContact CB-CZ3 4.19Å; D27-W46 WeakPolarHBondContact OD1-CA 3.18Å; D27-W46 VanDerWaalsContact OD2-CZ3 3.28Å; D27-W46 WeakPolarHBondContact OD2-CZ3 3.46Å; D27-K47 PolarHBondContact OD1-N 3.46Å; D27-D74 WeakPolarHBondContact CA-OD1 3.3Å; D27-D74 PolarHBondContact N-OD1 2.97Å; D27-E75 HydrophobicContact CB-CB 4.38Å; D27-E75 PolarHBondContact O-N 3.43Å; D27-E75 VanDerWaalsContact O-N 3.08Å | ||
| 28 | P | 91.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 142.7 | -166.1 | 31 | -42 | 0 | 0 | 0 | 114.5 | L17 S26 V45 N48 P51 W53 V72 M73 I84 | L17-P28 HydrophobicContact CD1-CB 3.68Å; L17-P28 HydrophobicContact CD1-CG 3.85Å; S26-P28 WeakPolarHBondContact O-CD 3.29Å; P28-V45 WeakPolarHBondContact CD-O 3.41Å; P28-V45 PolarHBondContact O-N 3.37Å; P28-N48 WeakPolarHBondContact CD-O 3.42Å; P28-N48 VanDerWaalsContact CG-O 3.23Å; P28-N48 WeakPolarHBondContact CG-O 3.32Å; P28-P51 HydrophobicContact CB-CG 4.26Å; P28-P51 HydrophobicContact CG-CB 3.74Å; P28-P51 HydrophobicContact CG-CG 3.54Å; P28-W53 HydrophobicContact CB-CZ2 3.97Å; P28-W53 HydrophobicContact CG-CZ2 4.29Å; P28-W53 PolarHBondContact O-NE1 3.3Å; P28-V72 HydrophobicContact CB-CG1 4.31Å; P28-M73 CarbonylContact C-O 3.41Å; P28-M73 VanDerWaalsContact CA-O 3.23Å; P28-M73 WeakPolarHBondContact CA-O 3.18Å; P28-I84 HydrophobicContact CB-CD1 4.3Å |
| 29 | Y | 91.1 | Very high | 83 | Confident | 13 Ų | 13 | 33.4 Ų | 33.4 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 164.3 | 165.5 | 70.6 | -87.6 | 0 | 0 | 0 | 110.8 | I31 R41 V72 M73 E75 D81 | Y29-I31 HydrophobicContact CD2-CG1 4.1Å; Y29-I31 HydrophobicContact CE2-CD1 3.85Å; Y29-I31 HydrophobicContact CE2-CG1 3.53Å; Y29-R41 HydrophobicContact CD2-CG 3.6Å; Y29-R41 VanDerWaalsContact CD2-CZ 3.45Å; Y29-R41 HydrophobicContact CE2-CG 3.89Å; Y29-V72 WeakPolarHBondContact O-CA 3.16Å; Y29-M73 HydrophobicContact CD1-CB 3.88Å; Y29-M73 HydrophobicContact CD2-CB 4.1Å; Y29-M73 HydrophobicContact CD2-CG 4.45Å; Y29-M73 HydrophobicContact CE1-CB 3.38Å; Y29-M73 HydrophobicContact CE1-CG 4.35Å; Y29-M73 HydrophobicContact CE2-CB 3.63Å; Y29-M73 HydrophobicContact CE2-CG 3.77Å; Y29-M73 HydrophobicContact CG-CB 4.23Å; Y29-M73 PolarHBondContact N-O 3.29Å; Y29-M73 PolarHBondContact O-N 2.94Å; Y29-E75 HydrophobicContact CD1-CB 3.87Å; Y29-E75 HydrophobicContact CE1-CB 3.81Å; Y29-D81 HydrophobicContact CE1-CB 4.43Å; Y29-D81 VanDerWaalsContact CE1-OD2 3.22Å; Y29-D81 WeakPolarHBondContact CE1-OD2 3.49Å; Y29-D81 VanDerWaalsContact CZ-OD2 3.22Å; Y29-D81 PolarHBondContact OH-OD2 3.33Å |
| 30 | C | 92.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 130.8 | -179.8 | -65.6 | 0 | 0 | 0 | 0 | 110.2 | I11 R41 T42 L71 | I11-C30 HydrophobicContact CD1-CB 3.97Å; I11-C30 HydrophobicContact CG2-CB 4.34Å; C30-R41 CarbonylContact O-C 3.55Å; C30-R41 VanDerWaalsContact O-CA 3.25Å; C30-R41 WeakPolarHBondContact O-CA 3.43Å; C30-T42 HydrophobicContact CB-CG2 3.89Å; C30-T42 PolarHBondContact N-OG1 3.45Å; C30-T42 PolarHBondContact O-N 3.35Å; C30-L71 CarbonylContact C-O 3.56Å; C30-L71 VanDerWaalsContact CA-O 3.3Å; C30-L71 WeakPolarHBondContact CA-O 3.4Å |
| 31 | I | 89.3 | Confident | 82.9 | Confident | 28 Ų | 28 | 29.5 Ų | 29.5 | 14% | 0.144 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 130.6 | 166.2 | -59.2 | 179.8 | 0 | 0 | 0 | 107.7 | Y29 K33 V38 R41 L71 M73 | Y29-I31 HydrophobicContact CD2-CG1 4.1Å; Y29-I31 HydrophobicContact CE2-CD1 3.85Å; Y29-I31 HydrophobicContact CE2-CG1 3.53Å; I31-K33 HydrophobicContact CG2-CG 4.31Å; I31-V38 HydrophobicContact CG2-CB 4.26Å; I31-V38 HydrophobicContact CG2-CG1 3.57Å; I31-V38 HydrophobicContact CG2-CG2 3.8Å; I31-R41 HydrophobicContact CG1-CG 4.36Å; I31-L71 HydrophobicContact CB-CB 4.25Å; I31-L71 HydrophobicContact CD1-CD2 4.48Å; I31-L71 PolarHBondContact N-O 2.58Å; I31-L71 PolarHBondContact O-N 3.39Å; I31-M73 HydrophobicContact CD1-CG 3.73Å; I31-M73 HydrophobicContact CD1-SD 4.48Å; I31-M73 HydrophobicContact CG1-CG 4Å |
| 32 | V | 89.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.7 | 176.1 | -170.8 | 0 | 0 | 0 | 0 | 108.6 | F9 I11 V38 V39 A40 L68 S69 F70 | F9-V32 HydrophobicContact CE2-CB 4.33Å; F9-V32 HydrophobicContact CE2-CG1 3.83Å; F9-V32 HydrophobicContact CE2-CG2 3.9Å; F9-V32 HydrophobicContact CZ-CB 4.44Å; F9-V32 HydrophobicContact CZ-CG1 3.74Å; F9-V32 HydrophobicContact CZ-CG2 4.48Å; I11-V32 HydrophobicContact CD1-CG2 3.58Å; V32-V38 CarbonylContact O-C 3.51Å; V32-V38 WeakPolarHBondContact O-CA 3.48Å; V32-V39 HydrophobicContact CB-CG2 4Å; V32-V39 HydrophobicContact CG1-CG2 3.79Å; V32-V39 WeakPolarHBondContact O-CG2 3.34Å; V32-V39 PolarHBondContact O-N 3.01Å; V32-A40 HydrophobicContact CB-CB 4.1Å; V32-A40 HydrophobicContact CG2-CB 4.2Å; V32-A40 PolarHBondContact N-O 3.24Å; V32-A40 PolarHBondContact O-N 3.27Å; V32-L68 HydrophobicContact CG1-CD1 3.64Å; V32-S69 CarbonylContact C-O 3.52Å; V32-S69 WeakPolarHBondContact CA-O 3.43Å; V32-F70 HydrophobicContact CG1-CD1 4.4Å; V32-F70 HydrophobicContact CG1-CE1 4.22Å; V32-F70 HydrophobicContact CG2-CD1 4.03Å; V32-F70 HydrophobicContact CG2-CE1 4.23Å |
| 33 | K | 86.1 | Confident | 83.6 | Confident | 32 Ų | 32 | 20.5 Ų | 20.5 | 14% | 0.139 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 135.2 | 175.3 | -53.8 | -177.3 | -178.3 | -178.1 | 0 | 110.9 | I31 E37 V38 L68 S69 E115 | I31-K33 HydrophobicContact CG2-CG 4.31Å; K33-E37 CarbonylContact C-O 3.52Å; K33-E37 WeakPolarHBondContact CA-O 3.5Å; K33-V38 HydrophobicContact CD-CG2 4.43Å; K33-V38 HydrophobicContact CG-CG2 4.01Å; K33-L68 WeakPolarHBondContact O-CA 3.46Å; K33-S69 PolarHBondContact N-O 3.36Å; K33-S69 PolarHBondContact O-N 2.94Å; K33-E115 IonicContact NZ-OE2 2.69Å; K33-E115 PolarHBondContact NZ-OE2 3.42Å |
| 34 | V | 83.9 | Confident | 84.1 | Confident | 11 Ų | 11 | 17.1 Ų | 17.1 | 7% | 0.067 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 121.8 | 163.7 | 178.3 | 0 | 0 | 0 | 0 | 107.3 | N36 E37 V39 L59 L61 F65 S67 L68 | V34-N36 PolarHBondContact O-N 3.42Å; V34-N36 VanDerWaalsContact O-N 3.1Å; V34-E37 PolarHBondContact N-O 3.05Å; V34-E37 WeakPolarHBondContact O-CB 3.45Å; V34-E37 PolarHBondContact O-N 3.3Å; V34-V39 HydrophobicContact CB-CG1 3.99Å; V34-V39 HydrophobicContact CG2-CG1 3.95Å; V34-V39 HydrophobicContact CG2-CG2 3.88Å; V34-L59 HydrophobicContact CG2-CD1 3.54Å; V34-L61 HydrophobicContact CG1-CD1 4.19Å; V34-L61 HydrophobicContact CG1-CD2 4.3Å; V34-F65 HydrophobicContact CG1-CB 3.47Å; V34-F65 VanDerWaalsContact CG1-CB 3.47Å; V34-F65 HydrophobicContact CG1-CD2 4.39Å; V34-F65 HydrophobicContact CG1-CG 4.17Å; V34-S67 WeakPolarHBondContact CA-O 3.48Å; V34-L68 HydrophobicContact CG2-CD1 3.87Å |
| 35 | D | 77.1 | Confident | 84.3 | Confident | 42 Ų | 42 | 15.9 Ų | 15.9 | 23% | 0.225 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 39.6 | -177.5 | -69.5 | -31.1 | 0 | 0 | 0 | 113 | E37 F65 H66 S67 R236 | D35-E37 PolarHBondContact O-N 3.01Å; D35-F65 VanDerWaalsContact OD2-CA 3.23Å; D35-F65 WeakPolarHBondContact OD2-CA 3.42Å; D35-H66 WeakPolarHBondContact OD1-CA 3.3Å; D35-H66 WeakPolarHBondContact OD1-CB 3.36Å; D35-H66 IonicContact OD1-CG 2.72Å; D35-H66 PolarHBondContact OD1-N 3.4Å; D35-H66 IonicContact OD1-ND1 2.62Å; D35-H66 PolarHBondContact OD2-N 3.46Å; D35-H66 VanDerWaalsContact OD2-N 3.07Å; D35-H66 IonicContact OD2-ND1 2.56Å; D35-H66 PolarHBondContact OD2-ND1 2.83Å; D35-S67 PolarHBondContact N-O 3.09Å; D35-S67 PolarHBondContact OD1-N 3.32Å; D35-R236 VanDerWaalsContact CG-NH2 3.35Å; D35-R236 IonicContact OD1-CZ 3.97Å; D35-R236 IonicContact OD1-NH1 3.93Å; D35-R236 PolarHBondContact OD1-NH1 3.28Å; D35-R236 IonicContact OD1-NH2 2.71Å; D35-R236 PolarHBondContact OD1-NH2 3.45Å; D35-R236 IonicContact OD2-NH1 3.57Å; D35-R236 PolarHBondContact OD2-NH1 3.25Å |
| 36 | N | 72 | Confident | 84.2 | Confident | 20 Ų | 20 | 19.3 Ų | 19.3 | 11% | 0.107 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | -1.8 | -176.9 | -59.3 | -40.1 | 0 | 0 | 0 | 116.7 | V34 V116 Q117 | V34-N36 PolarHBondContact O-N 3.42Å; V34-N36 VanDerWaalsContact O-N 3.1Å; N36-V116 PolarHBondContact ND2-O 2.97Å; N36-Q117 HydrophobicContact CB-CB 4.32Å; N36-Q117 HydrophobicContact CB-CG 4.14Å |
| 37 | E | 75.2 | Confident | 84 | Confident | 35 Ų | 35 | 25.9 Ų | 25.9 | 16% | 0.164 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 123 | 165.7 | -173.1 | -178.8 | 178.4 | 0 | 0 | 110.3 | K33 V34 D35 V39 R629 H713 | K33-E37 CarbonylContact C-O 3.52Å; K33-E37 WeakPolarHBondContact CA-O 3.5Å; V34-E37 PolarHBondContact N-O 3.05Å; V34-E37 WeakPolarHBondContact O-CB 3.45Å; V34-E37 PolarHBondContact O-N 3.3Å; D35-E37 PolarHBondContact O-N 3.01Å; E37-V39 PolarHBondContact O-N 2.95Å; E37-V39 VanDerWaalsContact O-N 3.13Å; E37-R629 IonicContact OE1-CZ 2.7Å; E37-R629 IonicContact OE1-NE 3.73Å; E37-R629 IonicContact OE1-NH1 3.66Å; E37-R629 PolarHBondContact OE1-NH1 2.7Å; E37-H713 IonicContact OE2-CG 3.96Å; E37-H713 IonicContact OE2-ND1 3.97Å |
| 38 | V | 79.4 | Confident | 83.8 | Confident | 36 Ų | 36 | 28.3 Ų | 28.3 | 22% | 0.218 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 111.2 | 176 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | I31 V32 K33 R629 V662 N666 | I31-V38 HydrophobicContact CG2-CB 4.26Å; I31-V38 HydrophobicContact CG2-CG1 3.57Å; I31-V38 HydrophobicContact CG2-CG2 3.8Å; V32-V38 CarbonylContact O-C 3.51Å; V32-V38 WeakPolarHBondContact O-CA 3.48Å; K33-V38 HydrophobicContact CD-CG2 4.43Å; K33-V38 HydrophobicContact CG-CG2 4.01Å; V38-R629 PolarHBondContact O-NH1 3.34Å; V38-R629 PolarHBondContact O-NH2 3.45Å; V38-V662 HydrophobicContact CG1-CG2 3.79Å; V38-N666 PolarHBondContact O-ND2 3Å |
| 39 | V | 79.6 | Confident | 83.6 | Confident | 7 Ų | 7 | 30.6 Ų | 30.6 | 4% | 0.042 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -24.2 | -176.7 | -69.7 | 0 | 0 | 0 | 0 | 113.6 | V32 V34 E37 L59 N666 V716 | V32-V39 HydrophobicContact CB-CG2 4Å; V32-V39 HydrophobicContact CG1-CG2 3.79Å; V32-V39 WeakPolarHBondContact O-CG2 3.34Å; V32-V39 PolarHBondContact O-N 3.01Å; V34-V39 HydrophobicContact CB-CG1 3.99Å; V34-V39 HydrophobicContact CG2-CG1 3.95Å; V34-V39 HydrophobicContact CG2-CG2 3.88Å; E37-V39 PolarHBondContact O-N 2.95Å; E37-V39 VanDerWaalsContact O-N 3.13Å; V39-L59 HydrophobicContact CB-CD1 4.18Å; V39-L59 HydrophobicContact CB-CD2 4.09Å; V39-L59 HydrophobicContact CG1-CD1 4.47Å; V39-L59 HydrophobicContact CG2-CD1 3.76Å; V39-L59 HydrophobicContact CG2-CD2 4.43Å; V39-N666 PolarHBondContact O-ND2 2.89Å; V39-V716 HydrophobicContact CG1-CG1 4.24Å |
| 40 | A | 82.9 | Confident | 83.6 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 158.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V32 F57 | V32-A40 HydrophobicContact CB-CB 4.1Å; V32-A40 HydrophobicContact CG2-CB 4.2Å; V32-A40 PolarHBondContact N-O 3.24Å; V32-A40 PolarHBondContact O-N 3.27Å; A40-F57 HydrophobicContact CB-CD1 3.75Å; A40-F57 HydrophobicContact CB-CE1 3.64Å; A40-F57 HydrophobicContact CB-CE2 4.43Å; A40-F57 HydrophobicContact CB-CG 4.22Å; A40-F57 HydrophobicContact CB-CZ 4Å |
| 41 | R | 86.2 | Confident | 83.5 | Confident | 43 Ų | 43 | 34 Ų | 34 | 16% | 0.162 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 133.7 | 170.3 | -174.6 | -158.9 | -178.5 | -96 | 13.7 | 109.5 | Y29 C30 I31 T44 E75 V662 N663 | Y29-R41 HydrophobicContact CD2-CG 3.6Å; Y29-R41 VanDerWaalsContact CD2-CZ 3.45Å; Y29-R41 HydrophobicContact CE2-CG 3.89Å; C30-R41 CarbonylContact O-C 3.55Å; C30-R41 VanDerWaalsContact O-CA 3.25Å; C30-R41 WeakPolarHBondContact O-CA 3.43Å; I31-R41 HydrophobicContact CG1-CG 4.36Å; R41-T44 PolarHBondContact NH1-OG1 3.45Å; R41-T44 PolarHBondContact NH2-OG1 2.96Å; R41-E75 IonicContact CZ-OE2 3.75Å; R41-E75 IonicContact NH2-OE2 3.32Å; R41-E75 PolarHBondContact NH2-OE2 2.9Å; R41-V662 HydrophobicContact CB-CG1 3.63Å; R41-V662 HydrophobicContact CG-CG1 4.28Å; R41-N663 WeakPolarHBondContact CB-OD1 3.24Å; R41-N663 PolarHBondContact N-OD1 2.92Å; R41-N663 PolarHBondContact O-ND2 3.08Å; R41-N663 PolarHBondContact O-OD1 2.8Å; R41-N663 VanDerWaalsContact O-OD1 3.08Å |
| 42 | T | 86.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -74 | 167.9 | 172.3 | 67 | 0 | 0 | 0 | 0 | 111.6 | I11 C30 W53 E55 F57 | I11-T42 HydrophobicContact CB-CG2 4.25Å; I11-T42 HydrophobicContact CD1-CG2 3.49Å; I11-T42 VanDerWaalsContact CD1-CG2 3.49Å; I11-T42 HydrophobicContact CG1-CG2 4.47Å; I11-T42 HydrophobicContact CG2-CG2 4.34Å; C30-T42 HydrophobicContact CB-CG2 3.89Å; C30-T42 PolarHBondContact N-OG1 3.45Å; C30-T42 PolarHBondContact O-N 3.35Å; T42-W53 HydrophobicContact CG2-CB 4.45Å; T42-W53 HydrophobicContact CG2-CG 4.33Å; T42-W53 VanDerWaalsContact OG1-CD1 3.26Å; T42-W53 PolarHBondContact OG1-NE1 3.19Å; T42-E55 WeakPolarHBondContact CA-OE1 3.38Å; T42-E55 WeakPolarHBondContact CA-OE2 3.44Å; T42-E55 WeakPolarHBondContact CB-OE1 3.31Å; T42-E55 HydrophobicContact CG2-CB 4.3Å; T42-F57 HydrophobicContact CG2-CE2 4.31Å |
| 43 | A | 82 | Confident | 83.3 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -73.7 | 151.2 | 167 | 0 | 0 | 0 | 0 | 0 | 110.5 | W53 E55 K486 H494 | A43-W53 PolarHBondContact O-NE1 3.04Å; A43-W53 VanDerWaalsContact O-NE1 3.1Å; A43-E55 PolarHBondContact N-OE1 2.88Å; A43-K486 HydrophobicContact CB-CD 4.09Å; A43-K486 VanDerWaalsContact N-NZ 3.1Å; A43-H494 HydrophobicContact CB-CB 4.5Å |
| 44 | T | 84.3 | Confident | 83.2 | Confident | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -74.4 | 128.4 | 176.7 | -43.5 | 0 | 0 | 0 | 0 | 109.8 | D27 R41 W46 E75 | D27-T44 HydrophobicContact CB-CG2 3.98Å; D27-T44 WeakPolarHBondContact O-CG2 3.47Å; R41-T44 PolarHBondContact NH1-OG1 3.45Å; R41-T44 PolarHBondContact NH2-OG1 2.96Å; T44-W46 HydrophobicContact CG2-CD2 4.41Å; T44-W46 HydrophobicContact CG2-CZ2 4.21Å; T44-E75 VanDerWaalsContact CB-OE2 3.3Å; T44-E75 WeakPolarHBondContact CB-OE2 3.23Å; T44-E75 HydrophobicContact CG2-CB 3.58Å; T44-E75 HydrophobicContact CG2-CG 4.34Å; T44-E75 WeakPolarHBondContact CG2-OE2 3.27Å; T44-E75 PolarHBondContact OG1-OE2 3.46Å |
| 45 | V | 82.3 | Confident | 83.2 | Confident | 22 Ų | 22 | 37 Ų | 37 | 13% | 0.133 | 18% | 0.176 | C | C | . | . | trans | -103.2 | 102.8 | 174.8 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | D27 P28 N48 P51 W53 | D27-V45 WeakPolarHBondContact CA-O 3.48Å; P28-V45 WeakPolarHBondContact CD-O 3.41Å; P28-V45 PolarHBondContact O-N 3.37Å; V45-N48 HydrophobicContact CG1-CB 3.84Å; V45-P51 HydrophobicContact CB-CB 3.69Å; V45-P51 HydrophobicContact CG1-CB 3.88Å; V45-P51 HydrophobicContact CG2-CB 3.88Å; V45-W53 HydrophobicContact CG2-CG 4.47Å | ||
| 46 | W | 81.8 | Confident | 83.6 | Confident | 101 Ų | 101 | 41 Ų | 41 | 38% | 0.383 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 134.2 | -173.2 | -58.3 | 86.7 | 0 | 0 | 0 | 113 | D27 T44 N48 E75 | D27-W46 HydrophobicContact CB-CE3 3.92Å; D27-W46 HydrophobicContact CB-CZ3 4.19Å; D27-W46 WeakPolarHBondContact OD1-CA 3.18Å; D27-W46 VanDerWaalsContact OD2-CZ3 3.28Å; D27-W46 WeakPolarHBondContact OD2-CZ3 3.46Å; T44-W46 HydrophobicContact CG2-CD2 4.41Å; T44-W46 HydrophobicContact CG2-CZ2 4.21Å; W46-N48 PolarHBondContact O-N 3.43Å; W46-E75 HydrophobicContact CH2-CG 4.37Å |
| 47 | K | 82.8 | Confident | 84.1 | Confident | 138 Ų | 138 | 41.7 Ų | 41.7 | 60% | 0.6 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 46.9 | 169.6 | -58.6 | -176.1 | 178.3 | -178.2 | 0 | 113.5 | T25 S26 D27 | T25-K47 HydrophobicContact CG2-CB 4.2Å; S26-K47 CarbonylContact O-C 3.59Å; S26-K47 VanDerWaalsContact O-CA 3.23Å; S26-K47 WeakPolarHBondContact O-CA 3.47Å; S26-K47 PolarHBondContact O-N 2.85Å; S26-K47 VanDerWaalsContact O-N 3.15Å; D27-K47 PolarHBondContact OD1-N 3.46Å |
| 48 | N | 83.1 | Confident | 84.5 | Confident | 58 Ų | 58 | 41.7 Ų | 41.7 | 31% | 0.31 | 20% | 0.199 | S | C | . | . | trans | -143.4 | 117.2 | -174.8 | -166.2 | -8.7 | 0 | 0 | 0 | 112.8 | S26 P28 V45 W46 N50 | S26-N48 PolarHBondContact O-N 2.94Å; P28-N48 WeakPolarHBondContact CD-O 3.42Å; P28-N48 VanDerWaalsContact CG-O 3.23Å; P28-N48 WeakPolarHBondContact CG-O 3.32Å; V45-N48 HydrophobicContact CG1-CB 3.84Å; W46-N48 PolarHBondContact O-N 3.43Å; N48-N50 VanDerWaalsContact C-N 3.29Å; N48-N50 PolarHBondContact ND2-O 3.5Å; N48-N50 PolarHBondContact O-N 3.49Å; N48-N50 VanDerWaalsContact OD1-C 3.25Å; N48-N50 WeakPolarHBondContact OD1-CA 3.42Å; N48-N50 PolarHBondContact OD1-N 3.25Å; N48-N50 PolarHBondContact OD1-O 3Å | ||
| 49 | L | 88.6 | Confident | 84.7 | Confident | 47 Ų | 47 | 40 Ų | 40 | 25% | 0.246 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -82.7 | -5.5 | 176 | -55.5 | -177.4 | 0 | 0 | 0 | 113.7 | N16 L17 A19 P51 | N16-L49 PolarHBondContact N-O 3.13Å; L17-L49 PolarHBondContact N-O 3.1Å; L17-L49 WeakPolarHBondContact O-CD2 3.4Å; A19-L49 HydrophobicContact CB-CD1 4.34Å; A19-L49 HydrophobicContact CB-CD2 4.15Å; L49-P51 VanDerWaalsContact C-CD 3.42Å |
| 50 | N | 90.8 | Very high | 84.7 | Confident | 84 Ų | 84 | 41.6 Ų | 41.6 | 45% | 0.449 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -129.6 | 63.1 | 175 | -54.3 | -82.2 | 0 | 0 | 0 | 109.5 | G14 R15 N16 N48 | G14-N50 CarbonylContact O-C 3.57Å; G14-N50 WeakPolarHBondContact O-CA 3.26Å; R15-N50 VanDerWaalsContact CA-OD1 3.27Å; R15-N50 WeakPolarHBondContact CA-OD1 3.27Å; N16-N50 PolarHBondContact N-OD1 3.12Å; N48-N50 VanDerWaalsContact C-N 3.29Å; N48-N50 PolarHBondContact ND2-O 3.5Å; N48-N50 PolarHBondContact O-N 3.49Å; N48-N50 VanDerWaalsContact OD1-C 3.25Å; N48-N50 WeakPolarHBondContact OD1-CA 3.42Å; N48-N50 PolarHBondContact OD1-N 3.25Å; N48-N50 PolarHBondContact OD1-O 3Å |
| 51 | P | 89.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -68.6 | 141.6 | -174 | 31.3 | -39.2 | 0 | 0 | 0 | 111.5 | E13 G14 L17 P28 V45 L49 W53 | E13-P51 CarbonylContact C-O 3.54Å; E13-P51 WeakPolarHBondContact CA-O 3.4Å; E13-P51 WeakPolarHBondContact CB-O 3.32Å; G14-P51 PolarHBondContact N-O 3.19Å; L17-P51 HydrophobicContact CD1-CG 3.67Å; P28-P51 HydrophobicContact CB-CG 4.26Å; P28-P51 HydrophobicContact CG-CB 3.74Å; P28-P51 HydrophobicContact CG-CG 3.54Å; V45-P51 HydrophobicContact CB-CB 3.69Å; V45-P51 HydrophobicContact CG1-CB 3.88Å; V45-P51 HydrophobicContact CG2-CB 3.88Å; L49-P51 VanDerWaalsContact C-CD 3.42Å; P51-W53 HydrophobicContact CB-CD2 4.33Å; P51-W53 HydrophobicContact CB-CE3 4.44Å; P51-W53 HydrophobicContact CB-CH2 4.02Å; P51-W53 HydrophobicContact CB-CZ2 3.83Å; P51-W53 HydrophobicContact CB-CZ3 4.3Å; P51-W53 HydrophobicContact CG-CD2 4.42Å; P51-W53 HydrophobicContact CG-CE3 4.18Å; P51-W53 HydrophobicContact CG-CH2 3.16Å; P51-W53 HydrophobicContact CG-CZ2 3.41Å; P51-W53 VanDerWaalsContact CG-CZ2 3.41Å; P51-W53 HydrophobicContact CG-CZ3 3.57Å | ||
| 52 | F | 87.3 | Confident | 83.5 | Confident | 120 Ų | 120 | 42.3 Ų | 42.3 | 53% | 0.526 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 117.4 | 165.2 | 175.7 | -93 | 0 | 0 | 0 | 108.1 | V12 E13 | V12-F52 HydrophobicContact CG1-CE2 4.21Å; E13-F52 HydrophobicContact CB-CD2 4.2Å |
| 53 | W | 87.4 | Confident | 82.5 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -48.8 | 174.2 | -63.6 | -79.9 | 0 | 0 | 0 | 110.5 | I11 V12 G14 L17 P28 T42 A43 V45 P51 E55 L254 H494 | I11-W53 HydrophobicContact CG2-CB 4.48Å; I11-W53 HydrophobicContact CG2-CD2 4.2Å; I11-W53 HydrophobicContact CG2-CE3 3.76Å; I11-W53 HydrophobicContact CG2-CZ3 4.29Å; V12-W53 PolarHBondContact O-N 3.14Å; G14-W53 VanDerWaalsContact N-CZ3 3.31Å; L17-W53 HydrophobicContact CD1-CH2 4.33Å; P28-W53 HydrophobicContact CB-CZ2 3.97Å; P28-W53 HydrophobicContact CG-CZ2 4.29Å; P28-W53 PolarHBondContact O-NE1 3.3Å; T42-W53 HydrophobicContact CG2-CB 4.45Å; T42-W53 HydrophobicContact CG2-CG 4.33Å; T42-W53 VanDerWaalsContact OG1-CD1 3.26Å; T42-W53 PolarHBondContact OG1-NE1 3.19Å; A43-W53 PolarHBondContact O-NE1 3.04Å; A43-W53 VanDerWaalsContact O-NE1 3.1Å; V45-W53 HydrophobicContact CG2-CG 4.47Å; P51-W53 HydrophobicContact CB-CD2 4.33Å; P51-W53 HydrophobicContact CB-CE3 4.44Å; P51-W53 HydrophobicContact CB-CH2 4.02Å; P51-W53 HydrophobicContact CB-CZ2 3.83Å; P51-W53 HydrophobicContact CB-CZ3 4.3Å; P51-W53 HydrophobicContact CG-CD2 4.42Å; P51-W53 HydrophobicContact CG-CE3 4.18Å; P51-W53 HydrophobicContact CG-CH2 3.16Å; P51-W53 HydrophobicContact CG-CZ2 3.41Å; P51-W53 VanDerWaalsContact CG-CZ2 3.41Å; P51-W53 HydrophobicContact CG-CZ3 3.57Å; W53-E55 HydrophobicContact CB-CG 4.29Å; W53-E55 PolarHBondContact O-N 3.02Å; W53-E55 VanDerWaalsContact O-N 3.12Å; W53-L254 HydrophobicContact CH2-CD2 3.8Å; W53-L254 HydrophobicContact CZ3-CD2 3.55Å; W53-H494 PolarHBondContact O-CE1 3.39Å; W53-H494 PolarHBondContact O-NE2 2.79Å |
| 54 | G | 84.2 | Confident | 82 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 62 | 14.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R10 I11 V12 | R10-G54 PolarHBondContact NE-O 2.96Å; I11-G54 WeakPolarHBondContact O-CA 3.2Å; I11-G54 PolarHBondContact O-N 2.99Å; V12-G54 PolarHBondContact O-N 3.21Å |
| 55 | E | 84.6 | Confident | 81.9 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 132.5 | -172.5 | -64.8 | -176.2 | -140 | 0 | 0 | 111.5 | R10 I11 T42 A43 W53 F57 K486 H494 | R10-E55 VanDerWaalsContact CA-O 3.31Å; R10-E55 WeakPolarHBondContact CA-O 3.39Å; I11-E55 PolarHBondContact N-O 3.28Å; I11-E55 PolarHBondContact O-N 3.4Å; T42-E55 WeakPolarHBondContact CA-OE1 3.38Å; T42-E55 WeakPolarHBondContact CA-OE2 3.44Å; T42-E55 WeakPolarHBondContact CB-OE1 3.31Å; T42-E55 HydrophobicContact CG2-CB 4.3Å; A43-E55 PolarHBondContact N-OE1 2.88Å; W53-E55 HydrophobicContact CB-CG 4.29Å; W53-E55 PolarHBondContact O-N 3.02Å; W53-E55 VanDerWaalsContact O-N 3.12Å; E55-F57 HydrophobicContact CB-CE2 3.74Å; E55-F57 HydrophobicContact CB-CZ 4.12Å; E55-K486 VanDerWaalsContact CD-CE 3.46Å; E55-K486 WeakPolarHBondContact OE1-CE 3.39Å; E55-K486 IonicContact OE1-NZ 3.32Å; E55-K486 PolarHBondContact OE1-NZ 3.25Å; E55-K486 VanDerWaalsContact OE2-CE 3.27Å; E55-K486 WeakPolarHBondContact OE2-CE 3.37Å; E55-K486 IonicContact OE2-NZ 2.68Å; E55-K486 PolarHBondContact OE2-NZ 3.14Å; E55-H494 IonicContact OE1-CE1 3.93Å; E55-H494 PolarHBondContact OE1-CE1 3.35Å; E55-H494 IonicContact OE1-ND1 3.81Å |
| 56 | E | 84.6 | Confident | 81.8 | Confident | 126 Ų | 126 | 55.4 Ų | 55.4 | 59% | 0.589 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.9 | -178.9 | -68.8 | 178.2 | 165.6 | 0 | 0 | 109.7 | F9 R10 | F9-E56 WeakPolarHBondContact O-CA 3.48Å; R10-E56 HydrophobicContact CB-CG 3.84Å; R10-E56 WeakPolarHBondContact CD-OE1 3.21Å; R10-E56 HydrophobicContact CG-CG 3.5Å; R10-E56 IonicContact CZ-OE1 3.21Å; R10-E56 IonicContact NE-OE1 2.66Å; R10-E56 PolarHBondContact NE-OE1 2.92Å; R10-E56 IonicContact NH1-OE1 3.61Å; R10-E56 PolarHBondContact NH1-OE1 3.47Å |
| 57 | F | 83.9 | Confident | 81.9 | Confident | 35 Ų | 35 | 51.5 Ų | 51.5 | 15% | 0.154 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 142.9 | 177.9 | -59.3 | -88.2 | 0 | 0 | 0 | 109.2 | F9 I11 A40 T42 E55 L718 | F9-F57 HydrophobicContact CD2-CB 4.08Å; F9-F57 HydrophobicContact CD2-CD2 4.01Å; F9-F57 HydrophobicContact CD2-CG 4.48Å; F9-F57 HydrophobicContact CE1-CB 3.94Å; F9-F57 HydrophobicContact CE2-CB 3.45Å; F9-F57 VanDerWaalsContact CE2-CB 3.45Å; F9-F57 AromaticContact CE2-CD2 3.41Å; F9-F57 HydrophobicContact CE2-CD2 3.41Å; F9-F57 VanDerWaalsContact CE2-CD2 3.41Å; F9-F57 HydrophobicContact CE2-CE2 4.4Å; F9-F57 AromaticContact CE2-CG 3.68Å; F9-F57 HydrophobicContact CE2-CG 3.68Å; F9-F57 HydrophobicContact CZ-CB 3.37Å; F9-F57 HydrophobicContact CZ-CD2 4.15Å; F9-F57 AromaticContact CZ-CG 3.94Å; F9-F57 HydrophobicContact CZ-CG 3.94Å; F9-F57 PolarHBondContact N-O 2.65Å; F9-F57 PolarHBondContact O-N 2.92Å; I11-F57 HydrophobicContact CD1-CE2 4.35Å; A40-F57 HydrophobicContact CB-CD1 3.75Å; A40-F57 HydrophobicContact CB-CE1 3.64Å; A40-F57 HydrophobicContact CB-CE2 4.43Å; A40-F57 HydrophobicContact CB-CG 4.22Å; A40-F57 HydrophobicContact CB-CZ 4Å; T42-F57 HydrophobicContact CG2-CE2 4.31Å; E55-F57 HydrophobicContact CB-CE2 3.74Å; E55-F57 HydrophobicContact CB-CZ 4.12Å; F57-L718 HydrophobicContact CD1-CD2 4.23Å |
| 58 | T | 83.6 | Confident | 82.3 | Confident | 36 Ų | 36 | 44.9 Ų | 44.9 | 22% | 0.221 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.4 | 167.3 | -57.7 | 0 | 0 | 0 | 0 | 107.3 | L7 Y8 L718 G719 | L7-T58 CarbonylContact O-C 3.51Å; L7-T58 WeakPolarHBondContact O-CA 3.42Å; Y8-T58 HydrophobicContact CD1-CG2 3.79Å; Y8-T58 WeakPolarHBondContact CD1-OG1 3.3Å; Y8-T58 HydrophobicContact CE1-CG2 3.46Å; Y8-T58 VanDerWaalsContact CE1-CG2 3.46Å; T58-L718 CarbonylContact O-C 3.48Å; T58-L718 WeakPolarHBondContact O-CA 3.46Å; T58-G719 PolarHBondContact O-N 3.05Å |
| 59 | L | 82.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 134.1 | 172.7 | -64.4 | 171.8 | 0 | 0 | 0 | 109.1 | S6 L7 F9 V34 V39 L61 T717 L718 | S6-L59 CarbonylContact C-O 3.57Å; S6-L59 VanDerWaalsContact CA-O 3.24Å; S6-L59 WeakPolarHBondContact CA-O 3.26Å; L7-L59 HydrophobicContact CB-CB 4.28Å; L7-L59 PolarHBondContact N-O 2.8Å; L7-L59 PolarHBondContact O-N 2.68Å; F9-L59 HydrophobicContact CE1-CD1 3.5Å; F9-L59 VanDerWaalsContact CE1-CD1 3.5Å; F9-L59 HydrophobicContact CE1-CG 3.8Å; F9-L59 HydrophobicContact CZ-CD1 3.98Å; F9-L59 HydrophobicContact CZ-CG 4.3Å; V34-L59 HydrophobicContact CG2-CD1 3.54Å; V39-L59 HydrophobicContact CB-CD1 4.18Å; V39-L59 HydrophobicContact CB-CD2 4.09Å; V39-L59 HydrophobicContact CG1-CD1 4.47Å; V39-L59 HydrophobicContact CG2-CD1 3.76Å; V39-L59 HydrophobicContact CG2-CD2 4.43Å; L59-L61 HydrophobicContact CB-CD2 4.38Å; L59-L61 HydrophobicContact CB-CG 4.23Å; L59-T717 WeakPolarHBondContact CA-O 3.35Å; L59-L718 HydrophobicContact CD2-CD2 3.39Å; L59-L718 HydrophobicContact CD2-CG 3.99Å; L59-L718 HydrophobicContact CG-CD2 4.5Å |
| 60 | H | 79.1 | Confident | 82.9 | Confident | 40 Ų | 40 | 39.9 Ų | 39.9 | 19% | 0.185 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 126.4 | 167.2 | -55.9 | -66.7 | 0 | 0 | 0 | 108.7 | S6 V716 T717 D723 | S6-H60 PolarHBondContact OG-ND1 3.5Å; H60-V716 WeakPolarHBondContact O-CA 3.33Å; H60-T717 PolarHBondContact N-O 3.11Å; H60-T717 PolarHBondContact O-N 2.86Å; H60-D723 IonicContact NE2-OD2 2.78Å |
| 61 | L | 80.3 | Confident | 82.9 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | trans | -130.7 | 71.6 | -170.7 | -58.4 | 173.5 | 0 | 0 | 0 | 110.5 | T5 L7 V34 L59 M63 G64 F65 V716 | T5-L61 WeakPolarHBondContact CB-O 3.49Å; T5-L61 HydrophobicContact CG2-CB 4.48Å; T5-L61 WeakPolarHBondContact O-CA 3.4Å; T5-L61 PolarHBondContact O-N 3.14Å; T5-L61 PolarHBondContact OG1-O 2.84Å; L7-L61 HydrophobicContact CB-CD1 4.41Å; L7-L61 HydrophobicContact CD1-CD1 3.45Å; L7-L61 VanDerWaalsContact CD1-CD1 3.45Å; L7-L61 HydrophobicContact CG-CD1 3.9Å; V34-L61 HydrophobicContact CG1-CD1 4.19Å; V34-L61 HydrophobicContact CG1-CD2 4.3Å; L59-L61 HydrophobicContact CB-CD2 4.38Å; L59-L61 HydrophobicContact CB-CG 4.23Å; L61-M63 PolarHBondContact O-N 2.98Å; L61-G64 PolarHBondContact O-N 3.41Å; L61-F65 HydrophobicContact CD1-CB 4.03Å; L61-F65 HydrophobicContact CD1-CD1 3.69Å; L61-F65 HydrophobicContact CD1-CE1 4.5Å; L61-F65 HydrophobicContact CD1-CG 3.95Å; L61-V716 HydrophobicContact CD2-CB 4.29Å; L61-V716 HydrophobicContact CD2-CG1 3.78Å; L61-V716 HydrophobicContact CD2-CG2 3.85Å | ||
| 62 | P | 63.7 | Low | 83.1 | Confident | 56 Ų | 56 | 36.6 Ų | 36.6 | 36% | 0.364 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -29.6 | -179.6 | -25.6 | 31.8 | 0 | 0 | 0 | 114.8 | G64 A715 | P62-G64 VanDerWaalsContact C-N 3.34Å; P62-A715 HydrophobicContact CB-CB 3.94Å; P62-A715 WeakPolarHBondContact CD-O 3.45Å; P62-A715 HydrophobicContact CG-CB 3.69Å |
| 63 | M | 65.9 | Low | 83.3 | Confident | 169 Ų | 169 | 31.6 Ų | 31.6 | 83% | 0.833 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 7.9 | -179.7 | -60 | -62.8 | -66.5 | 0 | 0 | 113.6 | L61 A715 | L61-M63 PolarHBondContact O-N 2.98Å; M63-A715 HydrophobicContact CG-CB 4.09Å |
| 64 | G | 71.1 | Confident | 83.3 | Confident | 21 Ų | 21 | 31.6 Ų | 31.6 | 22% | 0.216 | 17% | 0.165 | C | C | . | . | trans | 69.2 | -170 | -171 | 0 | 0 | 0 | 0 | 0 | 112.8 | L61 P62 | L61-G64 PolarHBondContact O-N 3.41Å; P62-G64 VanDerWaalsContact C-N 3.34Å | ||
| 65 | F | 82.7 | Confident | 83.4 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | trans | -158 | 168 | 174.2 | 72.1 | -69.6 | 0 | 0 | 0 | 109.4 | T5 L7 V34 D35 L61 L68 K91 I94 L260 | T5-F65 HydrophobicContact CG2-CD1 4.29Å; T5-F65 HydrophobicContact CG2-CE1 4.27Å; L7-F65 HydrophobicContact CD1-CD1 3.92Å; L7-F65 HydrophobicContact CD1-CD2 4.04Å; L7-F65 HydrophobicContact CD1-CE1 3.73Å; L7-F65 HydrophobicContact CD1-CE2 3.84Å; L7-F65 HydrophobicContact CD1-CG 4.1Å; L7-F65 HydrophobicContact CD1-CZ 3.7Å; L7-F65 HydrophobicContact CD2-CE1 3.85Å; L7-F65 HydrophobicContact CD2-CE2 4.42Å; L7-F65 HydrophobicContact CD2-CZ 3.65Å; L7-F65 HydrophobicContact CG-CD1 4.34Å; L7-F65 HydrophobicContact CG-CE1 3.84Å; L7-F65 HydrophobicContact CG-CZ 4.02Å; V34-F65 HydrophobicContact CG1-CB 3.47Å; V34-F65 VanDerWaalsContact CG1-CB 3.47Å; V34-F65 HydrophobicContact CG1-CD2 4.39Å; V34-F65 HydrophobicContact CG1-CG 4.17Å; D35-F65 VanDerWaalsContact OD2-CA 3.23Å; D35-F65 WeakPolarHBondContact OD2-CA 3.42Å; L61-F65 HydrophobicContact CD1-CB 4.03Å; L61-F65 HydrophobicContact CD1-CD1 3.69Å; L61-F65 HydrophobicContact CD1-CE1 4.5Å; L61-F65 HydrophobicContact CD1-CG 3.95Å; F65-L68 HydrophobicContact CE2-CB 4.3Å; F65-K91 HydrophobicContact CE1-CB 4.31Å; F65-K91 HydrophobicContact CE1-CD 4.4Å; F65-K91 HydrophobicContact CE1-CG 3.97Å; F65-K91 HydrophobicContact CE2-CB 4.05Å; F65-K91 HydrophobicContact CZ-CB 3.88Å; F65-K91 HydrophobicContact CZ-CG 3.93Å; F65-K91 VanDerWaalsContact O-CD 3.31Å; F65-K91 WeakPolarHBondContact O-CD 3.39Å; F65-I94 HydrophobicContact CE2-CD1 3.97Å; F65-I94 HydrophobicContact CZ-CD1 3.97Å; F65-L260 HydrophobicContact CE1-CD1 3.68Å; F65-L260 HydrophobicContact CE1-CD2 4.21Å; F65-L260 HydrophobicContact CZ-CD1 4.31Å; F65-L260 HydrophobicContact CZ-CD2 4.35Å | ||
| 66 | H | 79.4 | Confident | 83.2 | Confident | 109 Ų | 109 | 35.3 Ų | 35.3 | 51% | 0.505 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -116.1 | -38.5 | 177.5 | -51.4 | 58.4 | 0 | 0 | 0 | 112 | D35 S90 K91 R236 | D35-H66 WeakPolarHBondContact OD1-CA 3.3Å; D35-H66 WeakPolarHBondContact OD1-CB 3.36Å; D35-H66 IonicContact OD1-CG 2.72Å; D35-H66 PolarHBondContact OD1-N 3.4Å; D35-H66 IonicContact OD1-ND1 2.62Å; D35-H66 PolarHBondContact OD2-N 3.46Å; D35-H66 VanDerWaalsContact OD2-N 3.07Å; D35-H66 IonicContact OD2-ND1 2.56Å; D35-H66 PolarHBondContact OD2-ND1 2.83Å; H66-S90 CarbonylContact O-C 3.55Å; H66-S90 WeakPolarHBondContact O-CA 3.38Å; H66-K91 PolarHBondContact O-N 3.45Å; H66-R236 PolarHBondContact CE1-NH1 3.31Å; H66-R236 VanDerWaalsContact CE1-NH1 3.35Å; H66-R236 PolarHBondContact ND1-NH1 3.42Å |
| 67 | S | 85.1 | Confident | 82.3 | Confident | 18 Ų | 18 | 35.1 Ų | 35.1 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 143.8 | 177.6 | 68.7 | 0 | 0 | 0 | 0 | 113.6 | V34 D35 L89 | V34-S67 WeakPolarHBondContact CA-O 3.48Å; D35-S67 PolarHBondContact N-O 3.09Å; D35-S67 PolarHBondContact OD1-N 3.32Å; S67-L89 CarbonylContact C-O 3.57Å; S67-L89 WeakPolarHBondContact CA-O 3.4Å |
| 68 | L | 90.4 | Very high | 81.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 116.5 | 170.2 | 178.6 | 67.1 | 0 | 0 | 0 | 107.9 | L7 F9 V32 K33 V34 F65 F70 L89 I94 V258 | L7-L68 HydrophobicContact CD1-CD1 4.46Å; L7-L68 HydrophobicContact CD1-CD2 4.43Å; F9-L68 HydrophobicContact CD1-CD2 4.28Å; F9-L68 HydrophobicContact CE1-CD1 4.44Å; V32-L68 HydrophobicContact CG1-CD1 3.64Å; K33-L68 WeakPolarHBondContact O-CA 3.46Å; V34-L68 HydrophobicContact CG2-CD1 3.87Å; F65-L68 HydrophobicContact CE2-CB 4.3Å; L68-F70 HydrophobicContact CD1-CZ 4.48Å; L68-F70 HydrophobicContact CD2-CE2 3.73Å; L68-F70 HydrophobicContact CD2-CZ 3.57Å; L68-F70 HydrophobicContact CG-CE2 3.75Å; L68-F70 HydrophobicContact CG-CZ 3.86Å; L68-L89 PolarHBondContact N-O 3.3Å; L68-L89 PolarHBondContact O-N 2.76Å; L68-I94 HydrophobicContact CB-CD1 4.14Å; L68-I94 HydrophobicContact CD2-CD1 4.24Å; L68-V258 HydrophobicContact CD2-CG1 3.7Å; L68-V258 HydrophobicContact CD2-CG2 4.45Å |
| 69 | S | 90.9 | Very high | 80.2 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 139 | -178.4 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | V32 K33 K86 I87 | V32-S69 CarbonylContact C-O 3.52Å; V32-S69 WeakPolarHBondContact CA-O 3.43Å; K33-S69 PolarHBondContact N-O 3.36Å; K33-S69 PolarHBondContact O-N 2.94Å; S69-K86 VanDerWaalsContact CB-CE 3.47Å; S69-K86 VanDerWaalsContact OG-CE 3.24Å; S69-K86 WeakPolarHBondContact OG-CE 3.44Å; S69-I87 CarbonylContact C-O 3.54Å; S69-I87 VanDerWaalsContact CA-O 3.27Å; S69-I87 WeakPolarHBondContact CA-O 3.35Å |
| 70 | F | 93.4 | Very high | 79.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 110.8 | 173 | -57.4 | -92.3 | 0 | 0 | 0 | 108.3 | F9 I11 V32 L68 K86 I87 L89 L254 L256 V258 | F9-F70 HydrophobicContact CB-CZ 4.3Å; F9-F70 AromaticContact CD2-CE1 3.77Å; F9-F70 HydrophobicContact CD2-CE1 3.77Å; F9-F70 HydrophobicContact CD2-CZ 4.17Å; F9-F70 HydrophobicContact CE2-CE1 4.26Å; F9-F70 HydrophobicContact CG-CE1 4.33Å; F9-F70 HydrophobicContact CG-CZ 4.28Å; I11-F70 HydrophobicContact CD1-CD1 3.89Å; I11-F70 HydrophobicContact CD1-CE1 4.09Å; I11-F70 HydrophobicContact CG1-CD1 3.86Å; I11-F70 HydrophobicContact CG1-CE1 3.81Å; V32-F70 HydrophobicContact CG1-CD1 4.4Å; V32-F70 HydrophobicContact CG1-CE1 4.22Å; V32-F70 HydrophobicContact CG2-CD1 4.03Å; V32-F70 HydrophobicContact CG2-CE1 4.23Å; L68-F70 HydrophobicContact CD1-CZ 4.48Å; L68-F70 HydrophobicContact CD2-CE2 3.73Å; L68-F70 HydrophobicContact CD2-CZ 3.57Å; L68-F70 HydrophobicContact CG-CE2 3.75Å; L68-F70 HydrophobicContact CG-CZ 3.86Å; F70-K86 CarbonylContact O-C 3.53Å; F70-K86 VanDerWaalsContact O-CA 3.28Å; F70-K86 WeakPolarHBondContact O-CA 3.29Å; F70-I87 HydrophobicContact CB-CB 4.47Å; F70-I87 HydrophobicContact CD2-CG2 4.47Å; F70-I87 PolarHBondContact N-O 3.16Å; F70-I87 PolarHBondContact O-N 3.14Å; F70-L89 HydrophobicContact CE2-CD1 4.11Å; F70-L254 HydrophobicContact CB-CD1 4.25Å; F70-L256 HydrophobicContact CB-CD1 4.44Å; F70-L256 HydrophobicContact CD1-CD1 4.38Å; F70-L256 HydrophobicContact CD1-CD2 4.03Å; F70-L256 HydrophobicContact CD2-CD1 3.52Å; F70-L256 HydrophobicContact CE1-CD2 4.14Å; F70-L256 HydrophobicContact CE2-CD1 3.74Å; F70-L256 HydrophobicContact CG-CD1 3.86Å; F70-L256 HydrophobicContact CG-CD2 4.27Å; F70-L256 HydrophobicContact CZ-CD1 4.26Å; F70-L256 HydrophobicContact CZ-CD2 4.46Å; F70-V258 HydrophobicContact CE2-CG2 4.23Å; F70-V258 HydrophobicContact CZ-CG2 3.96Å |
| 71 | L | 91.4 | Very high | 79.8 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.5 | -179.5 | 177.1 | 66.9 | 0 | 0 | 0 | 109 | C30 I31 M73 V83 K86 V110 | C30-L71 CarbonylContact C-O 3.56Å; C30-L71 VanDerWaalsContact CA-O 3.3Å; C30-L71 WeakPolarHBondContact CA-O 3.4Å; I31-L71 HydrophobicContact CB-CB 4.25Å; I31-L71 HydrophobicContact CD1-CD2 4.48Å; I31-L71 PolarHBondContact N-O 2.58Å; I31-L71 PolarHBondContact O-N 3.39Å; L71-M73 HydrophobicContact CD1-SD 4.23Å; L71-M73 HydrophobicContact CD2-CG 4.47Å; L71-M73 HydrophobicContact CD2-SD 3.65Å; L71-M73 HydrophobicContact CG-CG 4.26Å; L71-M73 HydrophobicContact CG-SD 3.63Å; L71-V83 HydrophobicContact CD1-CG1 3.73Å; L71-K86 HydrophobicContact CD1-CB 4.15Å; L71-V110 HydrophobicContact CD1-CG2 3.6Å |
| 72 | V | 93 | Very high | 79.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 126.4 | 176.2 | -172 | 0 | 0 | 0 | 0 | 108.7 | L17 P28 Y29 I84 G85 L107 L254 | L17-V72 HydrophobicContact CD1-CG1 4.24Å; P28-V72 HydrophobicContact CB-CG1 4.31Å; Y29-V72 WeakPolarHBondContact O-CA 3.16Å; V72-I84 HydrophobicContact CB-CB 4.1Å; V72-I84 HydrophobicContact CB-CG2 4.34Å; V72-I84 HydrophobicContact CG1-CB 3.97Å; V72-I84 HydrophobicContact CG1-CD1 4Å; V72-I84 HydrophobicContact CG1-CG2 4.16Å; V72-I84 WeakPolarHBondContact O-CB 3.26Å; V72-I84 PolarHBondContact O-N 3.43Å; V72-G85 PolarHBondContact N-O 3Å; V72-G85 PolarHBondContact O-N 3.45Å; V72-L107 HydrophobicContact CB-CD1 4.4Å; V72-L107 HydrophobicContact CB-CD2 4.31Å; V72-L107 HydrophobicContact CG2-CD1 3.99Å; V72-L107 HydrophobicContact CG2-CD2 3.54Å; V72-L107 HydrophobicContact CG2-CG 4.42Å; V72-L254 HydrophobicContact CG2-CD1 3.64Å; V72-L254 HydrophobicContact CG2-CD2 3.9Å; V72-L254 HydrophobicContact CG2-CG 3.99Å |
| 73 | M | 91.1 | Very high | 81 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 152.6 | -178.4 | -58.7 | -59.7 | -62 | 0 | 0 | 109.4 | P28 Y29 I31 L71 D81 D82 V83 | P28-M73 CarbonylContact C-O 3.41Å; P28-M73 VanDerWaalsContact CA-O 3.23Å; P28-M73 WeakPolarHBondContact CA-O 3.18Å; Y29-M73 HydrophobicContact CD1-CB 3.88Å; Y29-M73 HydrophobicContact CD2-CB 4.1Å; Y29-M73 HydrophobicContact CD2-CG 4.45Å; Y29-M73 HydrophobicContact CE1-CB 3.38Å; Y29-M73 HydrophobicContact CE1-CG 4.35Å; Y29-M73 HydrophobicContact CE2-CB 3.63Å; Y29-M73 HydrophobicContact CE2-CG 3.77Å; Y29-M73 HydrophobicContact CG-CB 4.23Å; Y29-M73 PolarHBondContact N-O 3.29Å; Y29-M73 PolarHBondContact O-N 2.94Å; I31-M73 HydrophobicContact CD1-CG 3.73Å; I31-M73 HydrophobicContact CD1-SD 4.48Å; I31-M73 HydrophobicContact CG1-CG 4Å; L71-M73 HydrophobicContact CD1-SD 4.23Å; L71-M73 HydrophobicContact CD2-CG 4.47Å; L71-M73 HydrophobicContact CD2-SD 3.65Å; L71-M73 HydrophobicContact CG-CG 4.26Å; L71-M73 HydrophobicContact CG-SD 3.63Å; M73-D81 HydrophobicContact CE-CB 3.91Å; M73-D81 VanDerWaalsContact CE-O 3.31Å; M73-D81 WeakPolarHBondContact CE-O 3.37Å; M73-D82 CarbonylContact C-O 3.49Å; M73-D82 WeakPolarHBondContact CA-O 3.2Å; M73-V83 HydrophobicContact CE-CG2 3.75Å; M73-V83 HydrophobicContact SD-CB 4.3Å; M73-V83 HydrophobicContact SD-CG2 3.75Å |
| 74 | D | 88.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 125.1 | 167 | -155.7 | -6.1 | 0 | 0 | 0 | 109.5 | K20 S26 D27 D76 D81 D82 I84 | K20-D74 HydrophobicContact CB-CB 4.39Å; K20-D74 WeakPolarHBondContact CB-OD2 3.21Å; K20-D74 HydrophobicContact CG-CB 4.17Å; K20-D74 WeakPolarHBondContact CG-OD2 3.47Å; S26-D74 WeakPolarHBondContact CA-OD2 3.38Å; S26-D74 WeakPolarHBondContact CB-OD2 3.45Å; S26-D74 PolarHBondContact OG-OD2 3.43Å; D27-D74 WeakPolarHBondContact CA-OD1 3.3Å; D27-D74 PolarHBondContact N-OD1 2.97Å; D74-D76 PolarHBondContact O-N 3.35Å; D74-D81 CarbonylContact O-C 3.59Å; D74-D81 WeakPolarHBondContact O-CA 3.38Å; D74-D81 WeakPolarHBondContact O-CB 3.3Å; D74-D82 HydrophobicContact CB-CB 4.09Å; D74-D82 PolarHBondContact N-O 3.22Å; D74-D82 PolarHBondContact O-N 2.92Å; D74-I84 HydrophobicContact CB-CD1 4.05Å; D74-I84 HydrophobicContact CB-CG1 4.3Å |
| 75 | E | 85.6 | Confident | 83 | Confident | 47 Ų | 47 | 46.1 Ų | 46.1 | 22% | 0.22 | 26% | 0.256 | C | S | . | . | trans | -83.5 | 112.8 | 179.4 | -174.8 | 167.5 | 160.7 | 0 | 0 | 111.2 | D27 Y29 R41 T44 W46 | D27-E75 HydrophobicContact CB-CB 4.38Å; D27-E75 PolarHBondContact O-N 3.43Å; D27-E75 VanDerWaalsContact O-N 3.08Å; Y29-E75 HydrophobicContact CD1-CB 3.87Å; Y29-E75 HydrophobicContact CE1-CB 3.81Å; R41-E75 IonicContact CZ-OE2 3.75Å; R41-E75 IonicContact NH2-OE2 3.32Å; R41-E75 PolarHBondContact NH2-OE2 2.9Å; T44-E75 VanDerWaalsContact CB-OE2 3.3Å; T44-E75 WeakPolarHBondContact CB-OE2 3.23Å; T44-E75 HydrophobicContact CG2-CB 3.58Å; T44-E75 HydrophobicContact CG2-CG 4.34Å; T44-E75 WeakPolarHBondContact CG2-OE2 3.27Å; T44-E75 PolarHBondContact OG1-OE2 3.46Å; W46-E75 HydrophobicContact CH2-CG 4.37Å | ||
| 76 | D | 79.6 | Confident | 83.5 | Confident | 44 Ų | 44 | 46.7 Ų | 46.7 | 24% | 0.235 | 26% | 0.259 | C | S | . | . | trans | -93.4 | 130.2 | -179.2 | -78.5 | -62.7 | 0 | 0 | 0 | 111.4 | D74 I78 D81 D82 | D74-D76 PolarHBondContact O-N 3.35Å; D76-I78 PolarHBondContact O-N 3.1Å; D76-D81 PolarHBondContact N-OD1 3.47Å; D76-D81 VanDerWaalsContact N-OD1 3.08Å; D76-D82 PolarHBondContact OD2-N 3.19Å | ||
| 77 | T | 66.1 | Low | 84.1 | Confident | 123 Ų | 123 | 42 Ų | 42 | 76% | 0.755 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -66.3 | -24 | 176.6 | -54.9 | 0 | 0 | 0 | 0 | 112 | ||
| 78 | I | 60.7 | Low | 84.3 | Confident | 158 Ų | 158 | 44.4 Ų | 44.4 | 81% | 0.81 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -142.5 | 113.7 | 180 | -56.3 | 176.1 | 0 | 0 | 0 | 108.3 | D76 | D76-I78 PolarHBondContact O-N 3.1Š|
| 79 | G | 63.7 | Low | 84.3 | Confident | 65 Ų | 65 | 45.3 Ų | 45.3 | 67% | 0.67 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 123.4 | -159.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 80 | H | 70.9 | Confident | 84.1 | Confident | 180 Ų | 180 | 47.4 Ų | 47.4 | 83% | 0.833 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -100.5 | 135.9 | 169.8 | -71.7 | -75.2 | 0 | 0 | 0 | 108.7 | D82 | H80-D82 PolarHBondContact O-N 3.32Š|
| 81 | D | 81.3 | Confident | 83.9 | Confident | 49 Ų | 49 | 49.9 Ų | 49.9 | 26% | 0.262 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 128.8 | 177.7 | -68.4 | 1.4 | 0 | 0 | 0 | 112.4 | Y29 M73 D74 D76 | Y29-D81 HydrophobicContact CE1-CB 4.43Å; Y29-D81 VanDerWaalsContact CE1-OD2 3.22Å; Y29-D81 WeakPolarHBondContact CE1-OD2 3.49Å; Y29-D81 VanDerWaalsContact CZ-OD2 3.22Å; Y29-D81 PolarHBondContact OH-OD2 3.33Å; M73-D81 HydrophobicContact CE-CB 3.91Å; M73-D81 VanDerWaalsContact CE-O 3.31Å; M73-D81 WeakPolarHBondContact CE-O 3.37Å; D74-D81 CarbonylContact O-C 3.59Å; D74-D81 WeakPolarHBondContact O-CA 3.38Å; D74-D81 WeakPolarHBondContact O-CB 3.3Å; D76-D81 PolarHBondContact N-OD1 3.47Å; D76-D81 VanDerWaalsContact N-OD1 3.08Å |
| 82 | D | 81.9 | Confident | 83.6 | Confident | 71 Ų | 71 | 55.1 Ų | 55.1 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 133.7 | 179.7 | -90.7 | -23.4 | 0 | 0 | 0 | 112.6 | K20 M73 D74 D76 H80 I84 | K20-D82 HydrophobicContact CB-CB 4.37Å; K20-D82 HydrophobicContact CG-CB 4.15Å; M73-D82 CarbonylContact C-O 3.49Å; M73-D82 WeakPolarHBondContact CA-O 3.2Å; D74-D82 HydrophobicContact CB-CB 4.09Å; D74-D82 PolarHBondContact N-O 3.22Å; D74-D82 PolarHBondContact O-N 2.92Å; D76-D82 PolarHBondContact OD2-N 3.19Å; H80-D82 PolarHBondContact O-N 3.32Å; D82-I84 PolarHBondContact O-N 3Å |
| 83 | V | 87.9 | Confident | 83.3 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 37% | 0.37 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 126.6 | 170.8 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | K20 L71 M73 V110 | K20-V83 PolarHBondContact NZ-O 3.23Å; L71-V83 HydrophobicContact CD1-CG1 3.73Å; M73-V83 HydrophobicContact CE-CG2 3.75Å; M73-V83 HydrophobicContact SD-CB 4.3Å; M73-V83 HydrophobicContact SD-CG2 3.75Å; V83-V110 HydrophobicContact CG1-CB 3.92Å; V83-V110 HydrophobicContact CG1-CG2 3.46Å; V83-V110 VanDerWaalsContact CG1-CG2 3.46Å |
| 84 | I | 89.9 | Confident | 83.2 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -48.2 | 173.3 | -69 | 174.6 | 0 | 0 | 0 | 110.4 | L17 P18 K20 P28 V72 D74 D82 L107 | L17-I84 HydrophobicContact CD2-CG2 4.33Å; P18-I84 HydrophobicContact CG-CG2 3.72Å; K20-I84 HydrophobicContact CG-CG1 4.28Å; P28-I84 HydrophobicContact CB-CD1 4.3Å; V72-I84 HydrophobicContact CB-CB 4.1Å; V72-I84 HydrophobicContact CB-CG2 4.34Å; V72-I84 HydrophobicContact CG1-CB 3.97Å; V72-I84 HydrophobicContact CG1-CD1 4Å; V72-I84 HydrophobicContact CG1-CG2 4.16Å; V72-I84 WeakPolarHBondContact O-CB 3.26Å; V72-I84 PolarHBondContact O-N 3.43Å; D74-I84 HydrophobicContact CB-CD1 4.05Å; D74-I84 HydrophobicContact CB-CG1 4.3Å; D82-I84 PolarHBondContact O-N 3Å; I84-L107 HydrophobicContact CG2-CD1 4.23Å |
| 85 | G | 90.6 | Very high | 83.1 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.3 | 175.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V72 T108 | V72-G85 PolarHBondContact N-O 3Å; V72-G85 PolarHBondContact O-N 3.45Å; G85-T108 CarbonylContact C-O 3.39Å; G85-T108 WeakPolarHBondContact CA-O 3.41Å |
| 86 | K | 91.3 | Very high | 82.9 | Confident | 18 Ų | 18 | 60.8 Ų | 60.8 | 8% | 0.078 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 153.7 | -175.8 | -178.3 | -175.2 | -176.2 | -168.8 | 0 | 111.9 | S69 F70 L71 T88 T108 V110 E115 | S69-K86 VanDerWaalsContact CB-CE 3.47Å; S69-K86 VanDerWaalsContact OG-CE 3.24Å; S69-K86 WeakPolarHBondContact OG-CE 3.44Å; F70-K86 CarbonylContact O-C 3.53Å; F70-K86 VanDerWaalsContact O-CA 3.28Å; F70-K86 WeakPolarHBondContact O-CA 3.29Å; L71-K86 HydrophobicContact CD1-CB 4.15Å; K86-T88 WeakPolarHBondContact CE-OG1 3.15Å; K86-T108 PolarHBondContact N-O 2.99Å; K86-T108 PolarHBondContact O-N 3.45Å; K86-T108 PolarHBondContact O-OG1 3.18Å; K86-T108 VanDerWaalsContact O-OG1 3.07Å; K86-V110 HydrophobicContact CB-CG2 3.56Å; K86-E115 WeakPolarHBondContact CD-OE1 3.48Å; K86-E115 WeakPolarHBondContact CE-OE1 3.44Å; K86-E115 IonicContact NZ-OE1 3.34Å; K86-E115 PolarHBondContact NZ-OE1 3.38Å |
| 87 | I | 91.9 | Very high | 82.9 | Confident | 10 Ų | 10 | 62.8 Ų | 62.8 | 5% | 0.051 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130.4 | 163 | -71.2 | 151 | 0 | 0 | 0 | 107 | S69 F70 L89 M105 N106 L107 L254 L256 | S69-I87 CarbonylContact C-O 3.54Å; S69-I87 VanDerWaalsContact CA-O 3.27Å; S69-I87 WeakPolarHBondContact CA-O 3.35Å; F70-I87 HydrophobicContact CB-CB 4.47Å; F70-I87 HydrophobicContact CD2-CG2 4.47Å; F70-I87 PolarHBondContact N-O 3.16Å; F70-I87 PolarHBondContact O-N 3.14Å; I87-L89 HydrophobicContact CG2-CD2 4.37Å; I87-L89 HydrophobicContact CG2-CG 4.32Å; I87-M105 HydrophobicContact CD1-CB 3.77Å; I87-M105 HydrophobicContact CG1-CB 4.19Å; I87-M105 HydrophobicContact CG2-CB 4.29Å; I87-M105 HydrophobicContact CG2-SD 3.94Å; I87-N106 WeakPolarHBondContact CG1-O 3.39Å; I87-L107 HydrophobicContact CD1-CD2 3.86Å; I87-L107 HydrophobicContact CD1-CG 4.35Å; I87-L107 HydrophobicContact CG1-CD2 4.05Å; I87-L254 HydrophobicContact CD1-CB 3.78Å; I87-L254 HydrophobicContact CD1-CD1 3.93Å; I87-L254 HydrophobicContact CD1-CG 3.9Å; I87-L256 HydrophobicContact CD1-CD1 4.09Å; I87-L256 HydrophobicContact CG2-CD1 4.07Å |
| 88 | T | 90 | Very high | 83.1 | Confident | 70 Ų | 70 | 62 Ų | 62 | 43% | 0.429 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127.9 | 175.8 | -51.1 | 0 | 0 | 0 | 0 | 109.1 | K86 | K86-T88 WeakPolarHBondContact CE-OG1 3.15Å |
| 89 | L | 89.9 | Confident | 83.7 | Confident | 19 Ų | 19 | 62.6 Ų | 62.6 | 10% | 0.099 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 126.9 | 175 | -60.9 | 176.8 | 0 | 0 | 0 | 109.2 | S67 L68 F70 I87 I94 L101 M105 V258 | S67-L89 CarbonylContact C-O 3.57Å; S67-L89 WeakPolarHBondContact CA-O 3.4Å; L68-L89 PolarHBondContact N-O 3.3Å; L68-L89 PolarHBondContact O-N 2.76Å; F70-L89 HydrophobicContact CE2-CD1 4.11Å; I87-L89 HydrophobicContact CG2-CD2 4.37Å; I87-L89 HydrophobicContact CG2-CG 4.32Å; L89-I94 HydrophobicContact CB-CD1 3.91Å; L89-I94 HydrophobicContact CB-CG1 3.89Å; L89-I94 HydrophobicContact CD1-CG1 4.29Å; L89-L101 HydrophobicContact CD1-CD1 4.05Å; L89-M105 HydrophobicContact CD1-CE 4.19Å; L89-M105 HydrophobicContact CD1-SD 4.17Å; L89-M105 HydrophobicContact CD2-CE 4.24Å; L89-M105 HydrophobicContact CD2-SD 3.87Å; L89-M105 HydrophobicContact CG-SD 4.43Å; L89-V258 HydrophobicContact CD1-CB 4.39Å; L89-V258 HydrophobicContact CD1-CG2 3.89Å |
| 90 | S | 88.3 | Confident | 84.6 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 31% | 0.308 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 158.1 | 172.3 | 87.2 | 0 | 0 | 0 | 0 | 111.1 | H66 E92 A93 I94 | H66-S90 CarbonylContact O-C 3.55Å; H66-S90 WeakPolarHBondContact O-CA 3.38Å; S90-E92 WeakPolarHBondContact CB-OE2 3.34Å; S90-E92 PolarHBondContact O-N 3.39Å; S90-E92 PolarHBondContact OG-N 3.08Å; S90-E92 PolarHBondContact OG-OE2 2.77Å; S90-A93 PolarHBondContact O-N 3.24Å; S90-A93 PolarHBondContact OG-N 2.96Å; S90-A93 VanDerWaalsContact OG-N 3.16Å; S90-I94 WeakPolarHBondContact O-CG1 3.49Å; S90-I94 PolarHBondContact O-N 3.36Å; S90-I94 VanDerWaalsContact O-N 3.12Å |
| 91 | K | 87.6 | Confident | 85.5 | Confident | 51 Ų | 51 | 52.5 Ų | 52.5 | 22% | 0.222 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54 | -42.7 | 174.1 | -180 | -178.1 | 175.9 | 179 | 0 | 111.2 | F65 H66 I94 G95 L260 E262 | F65-K91 HydrophobicContact CE1-CB 4.31Å; F65-K91 HydrophobicContact CE1-CD 4.4Å; F65-K91 HydrophobicContact CE1-CG 3.97Å; F65-K91 HydrophobicContact CE2-CB 4.05Å; F65-K91 HydrophobicContact CZ-CB 3.88Å; F65-K91 HydrophobicContact CZ-CG 3.93Å; F65-K91 VanDerWaalsContact O-CD 3.31Å; F65-K91 WeakPolarHBondContact O-CD 3.39Å; H66-K91 PolarHBondContact O-N 3.45Å; K91-I94 PolarHBondContact O-N 3.19Å; K91-G95 PolarHBondContact O-N 3.4Å; K91-L260 HydrophobicContact CG-CD2 3.91Å; K91-E262 WeakPolarHBondContact CE-OE1 3.36Å; K91-E262 IonicContact NZ-OE1 2.71Å; K91-E262 PolarHBondContact NZ-OE1 3.34Å |
| 92 | E | 86.3 | Confident | 86 | Confident | 126 Ų | 126 | 53.7 Ų | 53.7 | 59% | 0.589 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66 | -42.2 | -179.1 | -54.7 | 69 | -143.8 | 0 | 0 | 111.1 | S90 I94 G95 S96 | S90-E92 WeakPolarHBondContact CB-OE2 3.34Å; S90-E92 PolarHBondContact O-N 3.39Å; S90-E92 PolarHBondContact OG-N 3.08Å; S90-E92 PolarHBondContact OG-OE2 2.77Å; E92-I94 VanDerWaalsContact C-N 3.33Å; E92-I94 PolarHBondContact O-N 3.4Å; E92-G95 PolarHBondContact O-N 2.91Å; E92-S96 WeakPolarHBondContact O-CB 3.35Å; E92-S96 PolarHBondContact O-N 3.12Å |
| 93 | A | 87 | Confident | 86.5 | Confident | 41 Ų | 41 | 52.5 Ų | 52.5 | 34% | 0.339 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61 | -43 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S90 S96 | S90-A93 PolarHBondContact O-N 3.24Å; S90-A93 PolarHBondContact OG-N 2.96Å; S90-A93 VanDerWaalsContact OG-N 3.16Å; A93-S96 PolarHBondContact O-OG 3.41Å |
| 94 | I | 89.2 | Confident | 86.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.5 | -46.5 | 176.7 | -56.5 | 163.3 | 0 | 0 | 0 | 110.5 | L7 F65 L68 L89 S90 K91 E92 S96 Q97 L101 V258 L260 | L7-I94 HydrophobicContact CD2-CD1 4.38Å; F65-I94 HydrophobicContact CE2-CD1 3.97Å; F65-I94 HydrophobicContact CZ-CD1 3.97Å; L68-I94 HydrophobicContact CB-CD1 4.14Å; L68-I94 HydrophobicContact CD2-CD1 4.24Å; L89-I94 HydrophobicContact CB-CD1 3.91Å; L89-I94 HydrophobicContact CB-CG1 3.89Å; L89-I94 HydrophobicContact CD1-CG1 4.29Å; S90-I94 WeakPolarHBondContact O-CG1 3.49Å; S90-I94 PolarHBondContact O-N 3.36Å; S90-I94 VanDerWaalsContact O-N 3.12Å; K91-I94 PolarHBondContact O-N 3.19Å; E92-I94 VanDerWaalsContact C-N 3.33Å; E92-I94 PolarHBondContact O-N 3.4Å; I94-S96 VanDerWaalsContact C-N 3.29Å; I94-S96 PolarHBondContact O-N 3.25Å; I94-Q97 PolarHBondContact O-N 3.33Å; I94-L101 HydrophobicContact CB-CD1 4.35Å; I94-L101 HydrophobicContact CG1-CD1 4Å; I94-L101 HydrophobicContact CG2-CD1 4.46Å; I94-V258 HydrophobicContact CD1-CG1 3.94Å; I94-V258 HydrophobicContact CG1-CG1 4.12Å; I94-V258 HydrophobicContact CG2-CG1 3.86Å; I94-L260 HydrophobicContact CB-CB 4.41Å; I94-L260 HydrophobicContact CG2-CB 3.56Å |
| 95 | G | 84.8 | Confident | 86.9 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 46% | 0.464 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.5 | -25.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K91 E92 Q97 | K91-G95 PolarHBondContact O-N 3.4Å; E92-G95 PolarHBondContact O-N 2.91Å; G95-Q97 PolarHBondContact O-N 3.4Å |
| 96 | S | 83.1 | Confident | 87.1 | Confident | 94 Ų | 94 | 60.2 Ų | 60.2 | 66% | 0.657 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -18.3 | 175.4 | 73.2 | 0 | 0 | 0 | 0 | 113.8 | E92 A93 I94 | E92-S96 WeakPolarHBondContact O-CB 3.35Å; E92-S96 PolarHBondContact O-N 3.12Å; A93-S96 PolarHBondContact O-OG 3.41Å; I94-S96 VanDerWaalsContact C-N 3.29Å; I94-S96 PolarHBondContact O-N 3.25Å |
| 97 | Q | 79.1 | Confident | 87.1 | Confident | 87 Ų | 87 | 59.8 Ų | 59.8 | 41% | 0.407 | 35% | 0.347 | S | S | . | . | trans | -109.1 | 98 | -179.6 | -60.3 | -161.4 | 0.2 | 0 | 0 | 111.2 | I94 G95 K99 G100 L101 | I94-Q97 PolarHBondContact O-N 3.33Å; G95-Q97 PolarHBondContact O-N 3.4Å; Q97-K99 PolarHBondContact O-N 2.97Å; Q97-K99 VanDerWaalsContact O-N 3.08Å; Q97-G100 PolarHBondContact O-N 3.38Å; Q97-G100 PolarHBondContact OE1-O 2.93Å; Q97-L101 HydrophobicContact CG-CD2 4.29Å; Q97-L101 HydrophobicContact CG-CG 4.46Å; Q97-L101 VanDerWaalsContact NE2-CD2 3.3Å | ||
| 98 | A | 69.2 | Low | 86.9 | Confident | 106 Ų | 106 | 63.1 Ų | 63.1 | 88% | 0.876 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -29.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 99 | K | 73.9 | Confident | 86.7 | Confident | 170 Ų | 170 | 67.1 Ų | 67.1 | 74% | 0.739 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -2.7 | 176.5 | -66.8 | -167 | 173.8 | -160.3 | 0 | 114 | Q97 E304 | Q97-K99 PolarHBondContact O-N 2.97Å; Q97-K99 VanDerWaalsContact O-N 3.08Å; K99-E304 IonicContact NZ-OE2 3.02Å |
| 100 | G | 83.6 | Confident | 86.2 | Confident | 14 Ų | 14 | 68.1 Ų | 68.1 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | trans | 79.7 | 164.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q97 V258 | Q97-G100 PolarHBondContact O-N 3.38Å; Q97-G100 PolarHBondContact OE1-O 2.93Å; G100-V258 CarbonylContact C-O 3.53Å; G100-V258 WeakPolarHBondContact CA-O 3.49Å | ||
| 101 | L | 88.4 | Confident | 85.6 | Confident | 19 Ų | 19 | 69.2 Ų | 69.2 | 10% | 0.099 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 135.4 | 174.3 | -67.5 | 149.2 | 0 | 0 | 0 | 109.7 | L89 I94 Q97 M105 K257 V258 | L89-L101 HydrophobicContact CD1-CD1 4.05Å; I94-L101 HydrophobicContact CB-CD1 4.35Å; I94-L101 HydrophobicContact CG1-CD1 4Å; I94-L101 HydrophobicContact CG2-CD1 4.46Å; Q97-L101 HydrophobicContact CG-CD2 4.29Å; Q97-L101 HydrophobicContact CG-CG 4.46Å; Q97-L101 VanDerWaalsContact NE2-CD2 3.3Å; L101-M105 HydrophobicContact CB-CE 4.08Å; L101-M105 HydrophobicContact CD1-CE 4.3Å; L101-M105 HydrophobicContact CD2-CE 4.11Å; L101-M105 HydrophobicContact CG-CE 4.41Å; L101-K257 CarbonylContact O-C 3.48Å; L101-K257 WeakPolarHBondContact O-CA 3.35Å; L101-V258 HydrophobicContact CB-CB 4.4Å; L101-V258 HydrophobicContact CD1-CB 4.35Å; L101-V258 PolarHBondContact N-O 2.89Å; L101-V258 PolarHBondContact O-N 3.26Å |
| 102 | D | 92.5 | Very high | 84.7 | Confident | 74 Ų | 74 | 70.7 Ų | 70.7 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 92.2 | 162.7 | 179.6 | -3.7 | 0 | 0 | 0 | 107.6 | R255 L256 K257 | D102-R255 IonicContact OD1-CZ 3.32Å; D102-R255 IonicContact OD1-NE 3.96Å; D102-R255 PolarHBondContact OD1-NE 2.92Å; D102-R255 IonicContact OD1-NH2 2.84Å; D102-R255 PolarHBondContact OD1-NH2 3.31Å; D102-R255 IonicContact OD2-NH2 3.33Å; D102-L256 WeakPolarHBondContact CA-O 3.36Å; D102-K257 HydrophobicContact CB-CD 4.26Å; D102-K257 HydrophobicContact CB-CG 4.06Å; D102-K257 VanDerWaalsContact CG-CE 3.48Å; D102-K257 WeakPolarHBondContact OD2-CE 3.38Å; D102-K257 IonicContact OD2-NZ 2.72Å; D102-K257 PolarHBondContact OD2-NZ 3.13Å |
| 103 | S | 91.4 | Very high | 83.8 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 32% | 0.322 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 162 | -173.3 | 64.3 | 0 | 0 | 0 | 0 | 113 | M105 R255 L256 | S103-M105 WeakPolarHBondContact OG-CE 3.26Å; S103-R255 WeakPolarHBondContact O-CA 3.42Å; S103-L256 PolarHBondContact N-O 3.12Å; S103-L256 VanDerWaalsContact N-O 3.13Å; S103-L256 PolarHBondContact O-N 2.94Å |
| 104 | W | 94.2 | Very high | 83.1 | Confident | 86 Ų | 86 | 67.7 Ų | 67.7 | 33% | 0.326 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 126.8 | 166.5 | -74.5 | 97.5 | 0 | 0 | 0 | 109.5 | E13 R15 A253 L254 R255 | E13-W104 HydrophobicContact CG-CH2 3.62Å; E13-W104 HydrophobicContact CG-CZ2 4.02Å; E13-W104 HydrophobicContact CG-CZ3 4.45Å; R15-W104 HydrophobicContact CB-CH2 3.82Å; R15-W104 HydrophobicContact CB-CZ3 3.79Å; R15-W104 VanDerWaalsContact CD-CZ3 3.43Å; R15-W104 HydrophobicContact CG-CE3 3.9Å; R15-W104 HydrophobicContact CG-CH2 3.81Å; R15-W104 HydrophobicContact CG-CZ3 3.39Å; W104-A253 HydrophobicContact CE3-CB 3.94Å; W104-L254 CarbonylContact C-O 3.58Å; W104-L254 WeakPolarHBondContact CA-O 3.28Å; W104-R255 HydrophobicContact CD2-CB 3.86Å; W104-R255 HydrophobicContact CE3-CB 3.86Å; W104-R255 HydrophobicContact CH2-CB 4.02Å; W104-R255 HydrophobicContact CZ2-CB 4Å; W104-R255 HydrophobicContact CZ3-CB 3.92Å |
| 105 | M | 93.2 | Very high | 82.5 | Confident | 24 Ų | 24 | 69.1 Ų | 69.1 | 12% | 0.118 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131.4 | 178.8 | -60.3 | -179.5 | -170.6 | 0 | 0 | 108.9 | I87 L89 L101 S103 A253 L254 L256 | I87-M105 HydrophobicContact CD1-CB 3.77Å; I87-M105 HydrophobicContact CG1-CB 4.19Å; I87-M105 HydrophobicContact CG2-CB 4.29Å; I87-M105 HydrophobicContact CG2-SD 3.94Å; L89-M105 HydrophobicContact CD1-CE 4.19Å; L89-M105 HydrophobicContact CD1-SD 4.17Å; L89-M105 HydrophobicContact CD2-CE 4.24Å; L89-M105 HydrophobicContact CD2-SD 3.87Å; L89-M105 HydrophobicContact CG-SD 4.43Å; L101-M105 HydrophobicContact CB-CE 4.08Å; L101-M105 HydrophobicContact CD1-CE 4.3Å; L101-M105 HydrophobicContact CD2-CE 4.11Å; L101-M105 HydrophobicContact CG-CE 4.41Å; S103-M105 WeakPolarHBondContact OG-CE 3.26Å; M105-A253 CarbonylContact O-C 3.53Å; M105-A253 WeakPolarHBondContact O-CA 3.43Å; M105-A253 VanDerWaalsContact O-CB 3.24Å; M105-A253 WeakPolarHBondContact O-CB 3.14Å; M105-L254 PolarHBondContact N-O 3.36Å; M105-L254 PolarHBondContact O-N 2.92Å; M105-L256 HydrophobicContact CE-CB 4.42Å; M105-L256 HydrophobicContact SD-CB 4.35Å; M105-L256 HydrophobicContact SD-CD1 3.86Å |
| 106 | N | 93.3 | Very high | 82.3 | Confident | 121 Ų | 121 | 67.2 Ų | 67.2 | 65% | 0.647 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 141.6 | -179.2 | -65.8 | -29.7 | 0 | 0 | 0 | 110.2 | I87 | I87-N106 WeakPolarHBondContact CG1-O 3.39Å |
| 107 | L | 91.3 | Very high | 82.4 | Confident | 9 Ų | 9 | 64.3 Ų | 64.3 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 137 | 173.9 | -70.1 | 162.4 | 0 | 0 | 0 | 110 | L17 V72 I84 I87 L251 G252 L254 | L17-L107 HydrophobicContact CD2-CD1 3.54Å; V72-L107 HydrophobicContact CB-CD1 4.4Å; V72-L107 HydrophobicContact CB-CD2 4.31Å; V72-L107 HydrophobicContact CG2-CD1 3.99Å; V72-L107 HydrophobicContact CG2-CD2 3.54Å; V72-L107 HydrophobicContact CG2-CG 4.42Å; I84-L107 HydrophobicContact CG2-CD1 4.23Å; I87-L107 HydrophobicContact CD1-CD2 3.86Å; I87-L107 HydrophobicContact CD1-CG 4.35Å; I87-L107 HydrophobicContact CG1-CD2 4.05Å; L107-L251 HydrophobicContact CB-CB 3.79Å; L107-L251 VanDerWaalsContact CD1-O 3.27Å; L107-L251 WeakPolarHBondContact CD1-O 3.36Å; L107-G252 PolarHBondContact N-O 3.48Å; L107-G252 VanDerWaalsContact N-O 3.1Å; L107-L254 HydrophobicContact CD2-CD1 4.36Å; L107-L254 HydrophobicContact CD2-CG 4.21Å |
| 108 | T | 89.3 | Confident | 82.7 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 49% | 0.485 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -100.6 | 157.6 | 169.9 | 62 | 0 | 0 | 0 | 0 | 110.1 | G85 K86 L251 | G85-T108 CarbonylContact C-O 3.39Å; G85-T108 WeakPolarHBondContact CA-O 3.41Å; K86-T108 PolarHBondContact N-O 2.99Å; K86-T108 PolarHBondContact O-N 3.45Å; K86-T108 PolarHBondContact O-OG1 3.18Å; K86-T108 VanDerWaalsContact O-OG1 3.07Å; T108-L251 VanDerWaalsContact C-CD1 3.47Å |
| 109 | R | 84.8 | Confident | 83.7 | Confident | 154 Ų | 154 | 58.1 Ų | 58.1 | 58% | 0.581 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 147.2 | 169.5 | -73.7 | -174.6 | 178.2 | 152.5 | 6.1 | 108.8 | L251 | R109-L251 HydrophobicContact CB-CD1 4.43Å; R109-L251 HydrophobicContact CG-CD1 3.77Å |
| 110 | V | 80.3 | Confident | 84.6 | Confident | 41 Ų | 41 | 50 Ų | 50 | 25% | 0.248 | 26% | 0.263 | C | S | . | . | trans | -90.3 | 113.3 | 172.2 | -177.7 | 0 | 0 | 0 | 0 | 107 | L71 V83 K86 E115 | L71-V110 HydrophobicContact CD1-CG2 3.6Å; V83-V110 HydrophobicContact CG1-CB 3.92Å; V83-V110 HydrophobicContact CG1-CG2 3.46Å; V83-V110 VanDerWaalsContact CG1-CG2 3.46Å; K86-V110 HydrophobicContact CB-CG2 3.56Å; V110-E115 HydrophobicContact CG1-CG 4.11Å | ||
| 111 | D | 75.4 | Confident | 85.2 | Confident | 67 Ų | 67 | 50.7 Ų | 50.7 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | trans | -86.8 | 118.7 | 167 | -172.8 | -13.7 | 0 | 0 | 0 | 108 | D113 E114 | D111-D113 PolarHBondContact O-N 2.99Å; D111-D113 PolarHBondContact OD1-N 2.94Å; D111-E114 HydrophobicContact CB-CB 4.11Å; D111-E114 HydrophobicContact CB-CG 3.84Å; D111-E114 WeakPolarHBondContact O-CB 3.07Å; D111-E114 PolarHBondContact O-N 3.42Å | ||
| 112 | P | 68.7 | Low | 85.5 | Confident | 82 Ų | 82 | 49.8 Ų | 49.8 | 53% | 0.532 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -51.1 | -41 | 172.9 | -25.9 | 35.2 | 0 | 0 | 0 | 112.1 | E114 E115 R148 | P112-E114 PolarHBondContact O-N 3.47Å; P112-E114 VanDerWaalsContact O-N 3.14Å; P112-E115 PolarHBondContact O-N 2.85Å; P112-R148 VanDerWaalsContact C-NH1 3.33Å; P112-R148 PolarHBondContact O-NH1 2.98Å; P112-R148 PolarHBondContact O-NH2 3.48Å |
| 113 | D | 68.3 | Low | 85.6 | Confident | 36 Ų | 36 | 46.9 Ų | 46.9 | 19% | 0.193 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -65.7 | -17.2 | -178.8 | -76.7 | -25.1 | 0 | 0 | 0 | 112.5 | D111 F214 | D111-D113 PolarHBondContact O-N 2.99Å; D111-D113 PolarHBondContact OD1-N 2.94Å; D113-F214 HydrophobicContact CB-CB 4.4Å; D113-F214 PolarHBondContact OD1-N 2.85Å |
| 114 | E | 72 | Confident | 85.7 | Confident | 68 Ų | 68 | 44.7 Ų | 44.7 | 32% | 0.318 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -88.7 | -12.4 | 173.9 | -68.5 | -174.4 | 169.1 | 0 | 0 | 113.8 | D111 P112 V116 N242 | D111-E114 HydrophobicContact CB-CB 4.11Å; D111-E114 HydrophobicContact CB-CG 3.84Å; D111-E114 WeakPolarHBondContact O-CB 3.07Å; D111-E114 PolarHBondContact O-N 3.42Å; P112-E114 PolarHBondContact O-N 3.47Å; P112-E114 VanDerWaalsContact O-N 3.14Å; E114-V116 PolarHBondContact O-N 2.94Å; E114-N242 PolarHBondContact OE1-ND2 3.49Å |
| 115 | E | 76.2 | Confident | 85.5 | Confident | 30 Ų | 30 | 43.6 Ų | 43.6 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | trans | -79.8 | 62 | 175.6 | -65.2 | -70.9 | 124.8 | 0 | 0 | 111.3 | K33 K86 V110 P112 A146 | K33-E115 IonicContact NZ-OE2 2.69Å; K33-E115 PolarHBondContact NZ-OE2 3.42Å; K86-E115 WeakPolarHBondContact CD-OE1 3.48Å; K86-E115 WeakPolarHBondContact CE-OE1 3.44Å; K86-E115 IonicContact NZ-OE1 3.34Å; K86-E115 PolarHBondContact NZ-OE1 3.38Å; V110-E115 HydrophobicContact CG1-CG 4.11Å; P112-E115 PolarHBondContact O-N 2.85Å; E115-A146 WeakPolarHBondContact O-CB 3.34Å | ||
| 116 | V | 81.4 | Confident | 85.3 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | trans | -82 | 129.9 | 179 | 166.9 | 0 | 0 | 0 | 0 | 111.6 | N36 E114 F214 L215 L237 P239 | N36-V116 PolarHBondContact ND2-O 2.97Å; E114-V116 PolarHBondContact O-N 2.94Å; V116-F214 HydrophobicContact CG2-CD1 3.96Å; V116-F214 HydrophobicContact CG2-CE1 3.92Å; V116-L215 WeakPolarHBondContact CG1-O 3.44Å; V116-L237 VanDerWaalsContact CG1-C 3.49Å; V116-L237 HydrophobicContact CG1-CB 3.57Å; V116-L237 WeakPolarHBondContact CG1-O 3.43Å; V116-P239 HydrophobicContact CG2-CB 4.18Å | ||
| 117 | Q | 83.9 | Confident | 84.9 | Confident | 33 Ų | 33 | 39.9 Ų | 39.9 | 15% | 0.154 | 21% | 0.206 | C | C | . | . | trans | -133.3 | 152.9 | 178.5 | -169.2 | -177.4 | -23.4 | 0 | 0 | 110.3 | N36 D144 A146 | N36-Q117 HydrophobicContact CB-CB 4.32Å; N36-Q117 HydrophobicContact CB-CG 4.14Å; Q117-D144 CarbonylContact C-O 3.52Å; Q117-D144 WeakPolarHBondContact CG-O 3.42Å; Q117-D144 PolarHBondContact NE2-OD1 2.88Å; Q117-D144 PolarHBondContact NE2-OD2 3.16Å; Q117-A146 HydrophobicContact CB-CB 4.25Å | ||
| 118 | G | 85.4 | Confident | 84.3 | Confident | 15 Ų | 15 | 46.1 Ų | 46.1 | 16% | 0.155 | 23% | 0.233 | C | C | . | . | trans | 100.7 | -179.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115 | R143 D144 L237 | G118-R143 WeakPolarHBondContact CA-O 3.4Å; G118-D144 WeakPolarHBondContact CA-O 3.28Å; G118-D144 PolarHBondContact N-O 3.03Å; G118-L237 PolarHBondContact O-N 3.43Å; G118-L237 VanDerWaalsContact O-N 3.11Å | ||
| 119 | E | 90 | Very high | 83.4 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 152.5 | 179.4 | -61.6 | 169.2 | 119.1 | 0 | 0 | 109.1 | A142 R143 W234 F235 R711 | E119-A142 CarbonylContact O-C 3.52Å; E119-A142 VanDerWaalsContact O-CA 3.25Å; E119-A142 WeakPolarHBondContact O-CA 3.4Å; E119-A142 WeakPolarHBondContact O-CB 3.39Å; E119-R143 HydrophobicContact CB-CG 4.5Å; E119-R143 PolarHBondContact N-O 3.16Å; E119-R143 VanDerWaalsContact N-O 3.12Å; E119-R143 PolarHBondContact O-N 2.94Å; E119-R143 IonicContact OE1-NH2 2.78Å; E119-R143 IonicContact OE2-CZ 2.58Å; E119-R143 IonicContact OE2-NE 3.94Å; E119-R143 PolarHBondContact OE2-NE 3.38Å; E119-R143 IonicContact OE2-NH2 3.57Å; E119-R143 PolarHBondContact OE2-NH2 3.28Å; E119-W234 HydrophobicContact CB-CE3 3.8Å; E119-W234 HydrophobicContact CB-CZ3 4.37Å; E119-F235 CarbonylContact C-O 3.51Å; E119-F235 VanDerWaalsContact CA-O 3.23Å; E119-F235 WeakPolarHBondContact CA-O 3.39Å; E119-F235 WeakPolarHBondContact CB-O 3.39Å; E119-R711 IonicContact OE1-CZ 3.69Å; E119-R711 IonicContact OE1-NH1 3.9Å; E119-R711 PolarHBondContact OE1-NH1 3.09Å; E119-R711 IonicContact OE2-CZ 2.73Å; E119-R711 IonicContact OE2-NH1 3.87Å; E119-R711 PolarHBondContact OE2-NH1 2.86Å |
| 120 | I | 94.3 | Very high | 82.3 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.7 | 175.8 | -171.8 | 165.8 | 0 | 0 | 0 | 110.2 | L122 V139 A142 V201 V203 V218 F235 L237 | I120-L122 HydrophobicContact CD1-CD2 3.76Å; I120-L122 HydrophobicContact CD1-CG 4.45Å; I120-L122 HydrophobicContact CG1-CD2 3.72Å; I120-L122 HydrophobicContact CG1-CG 4.04Å; I120-L122 HydrophobicContact CG2-CD1 3.97Å; I120-L122 HydrophobicContact CG2-CG 4.09Å; I120-V139 HydrophobicContact CD1-CG1 4.04Å; I120-A142 HydrophobicContact CB-CB 4.27Å; I120-A142 HydrophobicContact CG1-CB 4.26Å; I120-V201 HydrophobicContact CD1-CG1 4.22Å; I120-V203 HydrophobicContact CD1-CG2 3.6Å; I120-V218 HydrophobicContact CG2-CG2 3.51Å; I120-F235 HydrophobicContact CG2-CB 4.2Å; I120-F235 PolarHBondContact N-O 2.98Å; I120-F235 PolarHBondContact O-N 2.64Å; I120-L237 HydrophobicContact CB-CD2 4.26Å; I120-L237 HydrophobicContact CG2-CD2 3.85Å; I120-L237 HydrophobicContact CG2-CG 4.44Å |
| 121 | H | 95.1 | Very high | 81.5 | Confident | 28 Ų | 28 | 50.6 Ų | 50.6 | 13% | 0.13 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 117.1 | 176.6 | -169.7 | -168.1 | 0 | 0 | 0 | 109.1 | I140 E141 E232 G233 W234 | H121-I140 HydrophobicContact CB-CB 4.2Å; H121-I140 WeakPolarHBondContact O-CB 3.36Å; H121-I140 PolarHBondContact O-N 3.08Å; H121-E141 HydrophobicContact CB-CG 3.78Å; H121-E141 PolarHBondContact N-O 3.34Å; H121-E141 IonicContact ND1-OE1 3.68Å; H121-E232 IonicContact NE2-OE1 2.85Å; H121-G233 PolarHBondContact CD2-O 3.26Å; H121-W234 HydrophobicContact CB-CD2 3.81Å; H121-W234 HydrophobicContact CB-CE3 3.83Å; H121-W234 HydrophobicContact CB-CH2 3.92Å; H121-W234 HydrophobicContact CB-CZ2 3.87Å; H121-W234 HydrophobicContact CB-CZ3 3.87Å; H121-W234 AromaticContact CG-CE2 3.88Å; H121-W234 AromaticContact CG-NE1 3.98Å |
| 122 | L | 95.1 | Very high | 81.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 148.4 | -175.5 | -56.3 | 171.6 | 0 | 0 | 0 | 110.4 | I120 L124 Q138 V139 V201 E232 G233 F235 | I120-L122 HydrophobicContact CD1-CD2 3.76Å; I120-L122 HydrophobicContact CD1-CG 4.45Å; I120-L122 HydrophobicContact CG1-CD2 3.72Å; I120-L122 HydrophobicContact CG1-CG 4.04Å; I120-L122 HydrophobicContact CG2-CD1 3.97Å; I120-L122 HydrophobicContact CG2-CG 4.09Å; L122-L124 HydrophobicContact CB-CD1 3.79Å; L122-L124 HydrophobicContact CD1-CD1 4.46Å; L122-Q138 WeakPolarHBondContact CA-O 3.35Å; L122-V139 HydrophobicContact CD2-CB 4.36Å; L122-V139 HydrophobicContact CD2-CG1 4.22Å; L122-V139 HydrophobicContact CD2-CG2 4.12Å; L122-V201 HydrophobicContact CD1-CB 4.02Å; L122-V201 HydrophobicContact CD1-CG1 4.11Å; L122-V201 HydrophobicContact CD1-CG2 3.96Å; L122-V201 HydrophobicContact CD2-CG1 4.11Å; L122-E232 WeakPolarHBondContact O-CA 3.36Å; L122-G233 PolarHBondContact N-O 2.91Å; L122-G233 PolarHBondContact O-N 2.96Å; L122-F235 HydrophobicContact CB-CD2 3.89Å; L122-F235 HydrophobicContact CB-CE2 3.84Å; L122-F235 HydrophobicContact CD1-CD2 3.91Å; L122-F235 HydrophobicContact CD1-CE2 4.43Å; L122-F235 HydrophobicContact CD1-CG 4.46Å; L122-F235 HydrophobicContact CG-CD2 4.06Å; L122-F235 HydrophobicContact CG-CE2 4.5Å |
| 123 | S | 95.2 | Very high | 81.9 | Confident | 14 Ų | 14 | 49.8 Ų | 49.8 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 117.6 | 164.5 | -172.2 | 0 | 0 | 0 | 0 | 109.2 | C137 Q138 V230 L231 | S123-C137 CarbonylContact O-C 3.43Å; S123-C137 WeakPolarHBondContact O-CA 3.35Å; S123-Q138 PolarHBondContact N-O 2.77Å; S123-Q138 PolarHBondContact O-N 3.24Å; S123-V230 WeakPolarHBondContact OG-CG1 3.25Å; S123-L231 CarbonylContact C-O 3.55Å; S123-L231 WeakPolarHBondContact CA-O 3.4Å |
| 124 | L | 92.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.5 | -178.8 | -66.1 | 94 | 0 | 0 | 0 | 110.5 | L122 R136 C137 V199 I220 L225 V230 L231 | L122-L124 HydrophobicContact CB-CD1 3.79Å; L122-L124 HydrophobicContact CD1-CD1 4.46Å; L124-R136 WeakPolarHBondContact CA-O 3.32Å; L124-C137 HydrophobicContact CG-CB 4.34Å; L124-V199 HydrophobicContact CD2-CB 4.38Å; L124-V199 HydrophobicContact CD2-CG1 3.79Å; L124-I220 HydrophobicContact CD1-CD1 3.54Å; L124-I220 HydrophobicContact CD2-CD1 4.05Å; L124-I220 HydrophobicContact CG-CD1 4.47Å; L124-L225 HydrophobicContact CB-CD2 3.74Å; L124-V230 CarbonylContact O-C 3.57Å; L124-V230 WeakPolarHBondContact O-CA 3.26Å; L124-L231 PolarHBondContact N-O 3.35Å; L124-L231 PolarHBondContact O-N 3.42Å |
| 125 | E | 90.9 | Very high | 83.6 | Confident | 63 Ų | 63 | 45.9 Ų | 45.9 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 137 | 179.1 | -179.4 | 178.5 | -159.9 | 0 | 0 | 109.8 | L127 R136 V230 | E125-L127 VanDerWaalsContact CD-CD2 3.45Å; E125-L127 HydrophobicContact CG-CD2 3.93Å; E125-L127 HydrophobicContact CG-CG 4.26Å; E125-L127 WeakPolarHBondContact OE1-CD2 3.2Å; E125-R136 PolarHBondContact N-O 3.3Å; E125-R136 PolarHBondContact O-N 3.41Å; E125-V230 HydrophobicContact CB-CG2 4.24Å; E125-V230 HydrophobicContact CG-CG2 4.04Å |
| 126 | L | 87.5 | Confident | 84.4 | Confident | 22 Ų | 22 | 48.7 Ų | 48.7 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 108.2 | 171 | -176.3 | 67.4 | 0 | 0 | 0 | 109.4 | L188 L193 F222 | L126-L188 HydrophobicContact CD1-CD1 4.13Å; L126-L193 HydrophobicContact CD1-CD2 4.05Å; L126-L193 HydrophobicContact CD2-CD2 4.15Å; L126-F222 HydrophobicContact CD1-CE2 4.29Å; L126-F222 HydrophobicContact CD1-CZ 4.1Å; L126-F222 HydrophobicContact CD2-CZ 4.23Å |
| 127 | L | 85.9 | Confident | 85 | Confident | 44 Ų | 44 | 48.4 Ų | 48.4 | 23% | 0.23 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 128.1 | 177.6 | -63.3 | 172.4 | 0 | 0 | 0 | 109.8 | E125 S133 S134 R136 | E125-L127 VanDerWaalsContact CD-CD2 3.45Å; E125-L127 HydrophobicContact CG-CD2 3.93Å; E125-L127 HydrophobicContact CG-CG 4.26Å; E125-L127 WeakPolarHBondContact OE1-CD2 3.2Å; L127-S133 CarbonylContact O-C 3.42Å; L127-S133 VanDerWaalsContact O-CA 3.22Å; L127-S133 WeakPolarHBondContact O-CA 3.38Å; L127-S134 PolarHBondContact N-O 3.48Å; L127-S134 PolarHBondContact O-N 3Å; L127-R136 HydrophobicContact CD1-CB 4.19Å; L127-R136 VanDerWaalsContact CD1-CZ 3.46Å |
| 128 | K | 78.9 | Confident | 85.6 | Confident | 141 Ų | 141 | 50.3 Ų | 50.3 | 61% | 0.613 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 106.8 | 176 | -64 | -177.4 | -179.8 | -178 | 0 | 109.1 | ||
| 129 | D | 69.5 | Low | 86.2 | Confident | 112 Ų | 112 | 49.6 Ų | 49.6 | 60% | 0.599 | 25% | 0.253 | S | S | * | . | trans | -99.6 | 162.3 | 167 | -160.2 | -6 | 0 | 0 | 0 | 109.8 | T131 K132 | D129-T131 PolarHBondContact O-N 3.17Å; D129-K132 WeakPolarHBondContact CA-O 3.37Å; D129-K132 PolarHBondContact N-O 3.02Å; D129-K132 PolarHBondContact O-N 3.32Å | ||
| 130 | T | 61.7 | Low | 86.4 | Confident | 136 Ų | 136 | 48.3 Ų | 48.3 | 83% | 0.834 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -55.3 | -14.4 | -179.5 | 51.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 131 | T | 63.2 | Low | 86.5 | Confident | 120 Ų | 120 | 50.8 Ų | 50.8 | 74% | 0.736 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -134.3 | -13.9 | -176.5 | 57.5 | 0 | 0 | 0 | 0 | 115.2 | D129 | D129-T131 PolarHBondContact O-N 3.17Š|
| 132 | K | 70.4 | Confident | 86.4 | Confident | 116 Ų | 116 | 49.6 Ų | 49.6 | 50% | 0.504 | 25% | 0.254 | S | S | . | . | trans | -149.8 | 146.1 | -179.1 | -70.8 | -166.1 | 175.4 | -159.9 | 0 | 110.4 | D129 E187 | D129-K132 WeakPolarHBondContact CA-O 3.37Å; D129-K132 PolarHBondContact N-O 3.02Å; D129-K132 PolarHBondContact O-N 3.32Å; K132-E187 IonicContact NZ-OE1 2.73Å; K132-E187 PolarHBondContact NZ-OE1 3.07Å; K132-E187 IonicContact NZ-OE2 2.88Å; K132-E187 PolarHBondContact NZ-OE2 3.3Å | ||
| 133 | S | 81.3 | Confident | 86.2 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 142.2 | 166.2 | -57.5 | 0 | 0 | 0 | 0 | 109.5 | L127 L188 L193 | L127-S133 CarbonylContact O-C 3.42Å; L127-S133 VanDerWaalsContact O-CA 3.22Å; L127-S133 WeakPolarHBondContact O-CA 3.38Å; S133-L188 PolarHBondContact O-N 2.95Å; S133-L193 VanDerWaalsContact OG-CD1 3.26Å; S133-L193 WeakPolarHBondContact OG-CD1 3.39Å |
| 134 | S | 87.8 | Confident | 85.8 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 140.3 | 176.9 | 59.2 | 0 | 0 | 0 | 0 | 111.4 | L127 L186 | L127-S134 PolarHBondContact N-O 3.48Å; L127-S134 PolarHBondContact O-N 3Å; S134-L186 CarbonylContact C-O 3.56Å; S134-L186 VanDerWaalsContact CA-O 3.25Å; S134-L186 WeakPolarHBondContact CA-O 3.11Å; S134-L186 WeakPolarHBondContact CB-O 3.21Å |
| 135 | L | 89.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 112.7 | 169.1 | 174.9 | 62.6 | 0 | 0 | 0 | 107.9 | I160 F162 E185 L186 L188 V199 L225 | L135-I160 HydrophobicContact CD2-CD1 4.13Å; L135-I160 HydrophobicContact CG-CD1 4.47Å; L135-F162 HydrophobicContact CD2-CB 4.06Å; L135-F162 HydrophobicContact CD2-CG 4.25Å; L135-E185 WeakPolarHBondContact O-CA 3.13Å; L135-L186 HydrophobicContact CB-CB 4.42Å; L135-L186 HydrophobicContact CD2-CD1 4.42Å; L135-L186 PolarHBondContact N-O 3.24Å; L135-L186 PolarHBondContact O-N 3.33Å; L135-L188 HydrophobicContact CB-CD1 4.03Å; L135-L188 HydrophobicContact CB-CG 4.43Å; L135-V199 HydrophobicContact CD2-CB 4.41Å; L135-V199 HydrophobicContact CD2-CG1 3.89Å; L135-V199 HydrophobicContact CD2-CG2 3.59Å; L135-L225 HydrophobicContact CD1-CD1 3.5Å |
| 136 | R | 92.6 | Very high | 85.4 | Confident | 88 Ų | 88 | 49 Ų | 49 | 33% | 0.332 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 128.1 | 174.9 | -178 | 179.6 | -78.9 | 166 | -1.5 | 109 | L124 E125 L127 T183 L184 E185 | L124-R136 WeakPolarHBondContact CA-O 3.32Å; E125-R136 PolarHBondContact N-O 3.3Å; E125-R136 PolarHBondContact O-N 3.41Å; L127-R136 HydrophobicContact CD1-CB 4.19Å; L127-R136 VanDerWaalsContact CD1-CZ 3.46Å; R136-T183 HydrophobicContact CG-CG2 3.41Å; R136-T183 VanDerWaalsContact CG-CG2 3.41Å; R136-L184 WeakPolarHBondContact CA-O 3.29Å; R136-E185 HydrophobicContact CB-CG 4.34Å; R136-E185 HydrophobicContact CG-CG 4.18Å; R136-E185 IonicContact CZ-OE1 3.85Å; R136-E185 IonicContact NE-OE1 3.49Å; R136-E185 PolarHBondContact NE-OE1 3.49Å; R136-E185 IonicContact NH2-OE1 3.9Å; R136-E185 PolarHBondContact NH2-OE1 3.09Å |
| 137 | C | 94.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 114.8 | 173.4 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | S123 L124 I160 L184 | S123-C137 CarbonylContact O-C 3.43Å; S123-C137 WeakPolarHBondContact O-CA 3.35Å; L124-C137 HydrophobicContact CG-CB 4.34Å; C137-I160 HydrophobicContact CB-CD1 3.25Å; C137-L184 PolarHBondContact N-O 3.25Å; C137-L184 PolarHBondContact O-N 3.11Å |
| 138 | Q | 96.4 | Very high | 85.3 | Confident | 72 Ų | 72 | 51 Ų | 51 | 34% | 0.336 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 113.8 | 168.2 | -165.9 | 178.3 | 12.1 | 0 | 0 | 109.1 | L122 S123 I140 E182 | L122-Q138 WeakPolarHBondContact CA-O 3.35Å; S123-Q138 PolarHBondContact N-O 2.77Å; S123-Q138 PolarHBondContact O-N 3.24Å; Q138-I140 HydrophobicContact CB-CG1 4.39Å; Q138-I140 HydrophobicContact CG-CG1 3.86Å; Q138-I140 PolarHBondContact O-N 3Å; Q138-E182 CarbonylContact C-O 3.57Å; Q138-E182 WeakPolarHBondContact CA-O 3.37Å |
| 139 | V | 96.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 99.3 | 171.7 | -174.9 | 0 | 0 | 0 | 0 | 107.3 | I120 L122 T169 W180 G181 E182 L184 | I120-V139 HydrophobicContact CD1-CG1 4.04Å; L122-V139 HydrophobicContact CD2-CB 4.36Å; L122-V139 HydrophobicContact CD2-CG1 4.22Å; L122-V139 HydrophobicContact CD2-CG2 4.12Å; V139-T169 HydrophobicContact CB-CG2 3.75Å; V139-T169 HydrophobicContact CG1-CG2 3.91Å; V139-T169 HydrophobicContact CG2-CG2 3.93Å; V139-W180 HydrophobicContact CG1-CD2 4.27Å; V139-W180 HydrophobicContact CG1-CE3 3.8Å; V139-W180 HydrophobicContact CG1-CZ3 4.19Å; V139-G181 PolarHBondContact O-N 3.46Å; V139-G181 VanDerWaalsContact O-N 3.14Å; V139-E182 PolarHBondContact N-O 2.94Å; V139-E182 PolarHBondContact O-N 3.34Å; V139-E182 VanDerWaalsContact O-N 3.1Å; V139-L184 HydrophobicContact CG2-CD1 4.04Å |
| 140 | I | 95.5 | Very high | 85.8 | Confident | 21 Ų | 21 | 49.7 Ų | 49.7 | 11% | 0.108 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -65.7 | -168.1 | -56.3 | 167.5 | 0 | 0 | 0 | 109.7 | H121 Q138 W180 G181 | H121-I140 HydrophobicContact CB-CB 4.2Å; H121-I140 WeakPolarHBondContact O-CB 3.36Å; H121-I140 PolarHBondContact O-N 3.08Å; Q138-I140 HydrophobicContact CB-CG1 4.39Å; Q138-I140 HydrophobicContact CG-CG1 3.86Å; Q138-I140 PolarHBondContact O-N 3Å; I140-W180 PolarHBondContact O-N 2.9Å; I140-G181 PolarHBondContact O-N 3.03Å |
| 141 | E | 95 | Very high | 86.4 | Confident | 52 Ų | 52 | 46.1 Ų | 46.1 | 24% | 0.243 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 163.2 | -176.2 | 57.8 | 179.7 | 161.9 | 0 | 0 | 110.8 | H121 P178 H179 W234 | H121-E141 HydrophobicContact CB-CG 3.78Å; H121-E141 PolarHBondContact N-O 3.34Å; H121-E141 IonicContact ND1-OE1 3.68Å; E141-P178 CarbonylContact C-O 3.4Å; E141-P178 VanDerWaalsContact CA-O 3.24Å; E141-P178 WeakPolarHBondContact CA-O 3.45Å; E141-P178 WeakPolarHBondContact CB-O 3.23Å; E141-H179 HydrophobicContact CB-CB 4.3Å; E141-H179 IonicContact OE2-CD2 3.23Å; E141-W234 HydrophobicContact CG-CH2 3.57Å; E141-W234 HydrophobicContact CG-CZ2 3.93Å; E141-W234 HydrophobicContact CG-CZ3 4.41Å; E141-W234 VanDerWaalsContact OE1-CZ2 3.29Å; E141-W234 WeakPolarHBondContact OE1-CZ2 3.02Å |
| 142 | A | 94.6 | Very high | 87.1 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 2% | 0.017 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 158.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | E119 I120 L145 F177 P178 W180 | E119-A142 CarbonylContact O-C 3.52Å; E119-A142 VanDerWaalsContact O-CA 3.25Å; E119-A142 WeakPolarHBondContact O-CA 3.4Å; E119-A142 WeakPolarHBondContact O-CB 3.39Å; I120-A142 HydrophobicContact CB-CB 4.27Å; I120-A142 HydrophobicContact CG1-CB 4.26Å; A142-L145 HydrophobicContact CB-CD1 4.19Å; A142-L145 HydrophobicContact CB-CD2 3.93Å; A142-L145 HydrophobicContact CB-CG 4.22Å; A142-F177 CarbonylContact O-C 3.46Å; A142-F177 VanDerWaalsContact O-CA 3.27Å; A142-F177 WeakPolarHBondContact O-CA 3.17Å; A142-P178 HydrophobicContact CB-CG 3.93Å; A142-P178 PolarHBondContact N-O 3.08Å; A142-P178 WeakPolarHBondContact O-CD 3.35Å; A142-W180 HydrophobicContact CB-CH2 3.94Å; A142-W180 HydrophobicContact CB-CZ3 3.66Å |
| 143 | R | 90.4 | Very high | 87.8 | Confident | 23 Ų | 23 | 35.6 Ų | 35.6 | 9% | 0.087 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 148.6 | 178.1 | 65.3 | 173.1 | 170.6 | -118 | -20.6 | 112.4 | G118 E119 L145 R176 F177 W234 C709 | G118-R143 WeakPolarHBondContact CA-O 3.4Å; E119-R143 HydrophobicContact CB-CG 4.5Å; E119-R143 PolarHBondContact N-O 3.16Å; E119-R143 VanDerWaalsContact N-O 3.12Å; E119-R143 PolarHBondContact O-N 2.94Å; E119-R143 IonicContact OE1-NH2 2.78Å; E119-R143 IonicContact OE2-CZ 2.58Å; E119-R143 IonicContact OE2-NE 3.94Å; E119-R143 PolarHBondContact OE2-NE 3.38Å; E119-R143 IonicContact OE2-NH2 3.57Å; E119-R143 PolarHBondContact OE2-NH2 3.28Å; R143-L145 VanDerWaalsContact C-N 3.27Å; R143-L145 PolarHBondContact O-N 3.45Å; R143-R176 CarbonylContact C-O 3.56Å; R143-F177 HydrophobicContact CB-CD1 3.69Å; R143-F177 HydrophobicContact CB-CE1 4.02Å; R143-W234 HydrophobicContact CB-CH2 4.46Å; R143-W234 HydrophobicContact CB-CZ3 4.38Å; R143-W234 HydrophobicContact CG-CE3 4.46Å; R143-W234 HydrophobicContact CG-CH2 4.09Å; R143-W234 HydrophobicContact CG-CZ3 3.73Å; R143-W234 VanDerWaalsContact NH1-CZ2 3.33Å; R143-C709 WeakPolarHBondContact CB-O 3.48Å |
| 144 | D | 86.4 | Confident | 88.3 | Confident | 36 Ų | 36 | 34.9 Ų | 34.9 | 19% | 0.193 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 57.7 | 37 | 173.4 | -160.6 | 33.5 | 0 | 0 | 0 | 113.7 | Q117 G118 R176 F177 | Q117-D144 CarbonylContact C-O 3.52Å; Q117-D144 WeakPolarHBondContact CG-O 3.42Å; Q117-D144 PolarHBondContact NE2-OD1 2.88Å; Q117-D144 PolarHBondContact NE2-OD2 3.16Å; G118-D144 WeakPolarHBondContact CA-O 3.28Å; G118-D144 PolarHBondContact N-O 3.03Å; D144-R176 PolarHBondContact N-O 3.34Å; D144-R176 IonicContact OD1-CZ 3.88Å; D144-R176 IonicContact OD1-NH1 3.3Å; D144-R176 IonicContact OD1-NH2 2.74Å; D144-R176 PolarHBondContact OD1-NH2 3.13Å; D144-F177 HydrophobicContact CB-CE1 4.14Å; D144-F177 HydrophobicContact CB-CZ 4.31Å; D144-F177 VanDerWaalsContact N-CE1 3.26Å |
| 145 | L | 90 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -58.6 | 152.7 | 176.6 | -60.9 | 179.8 | 0 | 0 | 0 | 111.5 | A142 R143 P156 R176 P178 V203 L215 L237 | A142-L145 HydrophobicContact CB-CD1 4.19Å; A142-L145 HydrophobicContact CB-CD2 3.93Å; A142-L145 HydrophobicContact CB-CG 4.22Å; R143-L145 VanDerWaalsContact C-N 3.27Å; R143-L145 PolarHBondContact O-N 3.45Å; L145-P156 HydrophobicContact CD1-CB 3.59Å; L145-P156 HydrophobicContact CD1-CG 3.87Å; L145-R176 HydrophobicContact CB-CB 4.38Å; L145-R176 PolarHBondContact N-O 3.5Å; L145-R176 VanDerWaalsContact N-O 3.11Å; L145-R176 PolarHBondContact O-NE 3.38Å; L145-R176 PolarHBondContact O-NH2 3.12Å; L145-P178 HydrophobicContact CD1-CG 3.75Å; L145-V203 HydrophobicContact CD1-CG1 4.23Å; L145-V203 HydrophobicContact CD2-CG1 4.42Å; L145-L215 HydrophobicContact CD1-CD1 4.2Å; L145-L237 HydrophobicContact CD2-CD1 3.32Å | ||
| 146 | A | 85.4 | Confident | 88.9 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | trans | -61.2 | 135.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | E115 Q117 R148 S154 L215 | E115-A146 WeakPolarHBondContact O-CB 3.34Å; Q117-A146 HydrophobicContact CB-CB 4.25Å; A146-R148 PolarHBondContact O-N 2.68Å; A146-S154 PolarHBondContact O-OG 3.46Å; A146-L215 HydrophobicContact CB-CD2 4.2Å; A146-L215 WeakPolarHBondContact O-CD2 2.92Å | ||
| 147 | P | 85.2 | Confident | 89.2 | Confident | 64 Ų | 64 | 30.7 Ų | 30.7 | 42% | 0.416 | 17% | 0.165 | S | C | . | . | trans | -76.1 | 114.8 | 174.7 | 29.8 | -31 | 0 | 0 | 0 | 110 | ||||
| 148 | R | 85.7 | Confident | 89.2 | Confident | 46 Ų | 46 | 30.7 Ų | 30.7 | 17% | 0.174 | 17% | 0.165 | C | C | . | . | trans | -102.8 | -28 | 174.6 | -51 | -70.8 | -173.5 | -174.2 | 2.4 | 113.2 | P112 A146 T153 S154 D205 D213 F214 L215 | P112-R148 VanDerWaalsContact C-NH1 3.33Å; P112-R148 PolarHBondContact O-NH1 2.98Å; P112-R148 PolarHBondContact O-NH2 3.48Å; A146-R148 PolarHBondContact O-N 2.68Å; R148-T153 PolarHBondContact N-O 2.89Å; R148-T153 VanDerWaalsContact N-O 3.16Å; R148-S154 PolarHBondContact N-OG 3.09Å; R148-D205 HydrophobicContact CB-CB 4.33Å; R148-D205 WeakPolarHBondContact CB-OD2 3.4Å; R148-D205 HydrophobicContact CG-CB 4.06Å; R148-D213 HydrophobicContact CB-CB 4.16Å; R148-D213 WeakPolarHBondContact CB-OD2 3.27Å; R148-D213 HydrophobicContact CG-CB 3.76Å; R148-F214 PolarHBondContact NE-O 3.45Å; R148-F214 PolarHBondContact NH2-O 3.32Å; R148-L215 HydrophobicContact CG-CD2 3.58Å | ||
| 149 | D | 83.2 | Confident | 89.2 | Confident | 37 Ų | 37 | 30.3 Ų | 30.3 | 20% | 0.198 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -71.4 | 146.7 | 175.6 | -65.1 | -45.4 | 0 | 0 | 0 | 111.7 | S151 G152 T153 S154 | D149-S151 PolarHBondContact O-N 3.14Å; D149-G152 PolarHBondContact O-N 2.87Å; D149-T153 WeakPolarHBondContact CB-O 3.3Å; D149-T153 PolarHBondContact N-O 2.93Å; D149-T153 VanDerWaalsContact OD2-C 3.32Å; D149-T153 PolarHBondContact OD2-OG1 3.46Å; D149-S154 WeakPolarHBondContact OD2-CA 3.39Å; D149-S154 PolarHBondContact OD2-N 3.47Å |
| 150 | I | 75.9 | Confident | 89.2 | Confident | 188 Ų | 188 | 30.3 Ų | 30.3 | 96% | 0.964 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -24.9 | 167.5 | -57.9 | 168.2 | 0 | 0 | 0 | 111.8 | G152 | I150-G152 PolarHBondContact O-N 3.4Š|
| 151 | S | 74.5 | Confident | 89.1 | Confident | 60 Ų | 60 | 31.6 Ų | 31.6 | 42% | 0.42 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -3.2 | 177.1 | 72.7 | 0 | 0 | 0 | 0 | 114.5 | D149 T153 | D149-S151 PolarHBondContact O-N 3.14Å; S151-T153 PolarHBondContact OG-OG1 3.4Å |
| 152 | G | 77.4 | Confident | 89 | Confident | 15 Ų | 15 | 29.1 Ų | 29.1 | 16% | 0.155 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 78.1 | 22.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D149 I150 R176 | D149-G152 PolarHBondContact O-N 2.87Å; I150-G152 PolarHBondContact O-N 3.4Å; G152-R176 WeakPolarHBondContact O-CD 3.43Å |
| 153 | T | 86.4 | Confident | 88.6 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | trans | -126.7 | -171.8 | 178.6 | 64 | 0 | 0 | 0 | 0 | 111.2 | R148 D149 S151 K174 N633 | R148-T153 PolarHBondContact N-O 2.89Å; R148-T153 VanDerWaalsContact N-O 3.16Å; D149-T153 WeakPolarHBondContact CB-O 3.3Å; D149-T153 PolarHBondContact N-O 2.93Å; D149-T153 VanDerWaalsContact OD2-C 3.32Å; D149-T153 PolarHBondContact OD2-OG1 3.46Å; S151-T153 PolarHBondContact OG-OG1 3.4Å; T153-K174 WeakPolarHBondContact OG1-CA 3.24Å; T153-N633 HydrophobicContact CG2-CB 3.79Å; T153-N633 VanDerWaalsContact CG2-ND2 3.26Å; T153-N633 WeakPolarHBondContact CG2-ND2 3.16Å | ||
| 154 | S | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -139.7 | 165.8 | 166.3 | -76.7 | 0 | 0 | 0 | 0 | 109.9 | A146 R148 D149 P156 K174 T175 D205 | A146-S154 PolarHBondContact O-OG 3.46Å; R148-S154 PolarHBondContact N-OG 3.09Å; D149-S154 WeakPolarHBondContact OD2-CA 3.39Å; D149-S154 PolarHBondContact OD2-N 3.47Å; S154-P156 WeakPolarHBondContact O-CD 3.21Å; S154-K174 CarbonylContact O-C 3.58Å; S154-K174 WeakPolarHBondContact O-CA 3.33Å; S154-K174 PolarHBondContact O-N 3.08Å; S154-T175 PolarHBondContact O-N 2.88Å; S154-D205 WeakPolarHBondContact CA-OD2 3.47Å; S154-D205 WeakPolarHBondContact CB-OD2 3.42Å; S154-D205 PolarHBondContact OG-OD2 2.86Å | ||
| 155 | D | 94.4 | Very high | 88.5 | Confident | 16 Ų | 16 | 39.1 Ų | 39.1 | 9% | 0.086 | 21% | 0.209 | C | C | . | . | trans | -108.6 | 65.2 | 168.6 | -72.6 | -7.5 | 0 | 0 | 0 | 110.5 | I171 I172 K173 K174 D205 W206 | D155-I171 HydrophobicContact CB-CG2 4.13Å; D155-I172 CarbonylContact C-O 3.57Å; D155-I172 WeakPolarHBondContact CA-O 3.27Å; D155-K173 HydrophobicContact CB-CG 4.34Å; D155-K173 WeakPolarHBondContact OD1-CA 3.36Å; D155-K173 VanDerWaalsContact OD1-CB 3.26Å; D155-K173 WeakPolarHBondContact OD1-CB 3.42Å; D155-K174 PolarHBondContact OD1-N 3.16Å; D155-D205 VanDerWaalsContact CA-OD1 3.31Å; D155-D205 WeakPolarHBondContact CA-OD1 3.36Å; D155-D205 WeakPolarHBondContact CB-OD1 3.24Å; D155-D205 PolarHBondContact N-OD1 3.38Å; D155-W206 HydrophobicContact CB-CB 4.27Å; D155-W206 WeakPolarHBondContact O-CB 3.47Å; D155-W206 PolarHBondContact O-N 3.34Å | ||
| 156 | P | 96.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 145.3 | -167.8 | 29.9 | -42 | 0 | 0 | 0 | 115.5 | L145 S154 I172 T175 P178 W180 V203 W204 L215 | L145-P156 HydrophobicContact CD1-CB 3.59Å; L145-P156 HydrophobicContact CD1-CG 3.87Å; S154-P156 WeakPolarHBondContact O-CD 3.21Å; P156-I172 WeakPolarHBondContact CD-O 3.49Å; P156-I172 PolarHBondContact O-N 3.48Å; P156-T175 VanDerWaalsContact CD-O 3.3Å; P156-T175 WeakPolarHBondContact CD-O 3.47Å; P156-T175 HydrophobicContact CG-CG2 4.23Å; P156-P178 HydrophobicContact CB-CG 4.14Å; P156-P178 HydrophobicContact CG-CB 3.69Å; P156-P178 HydrophobicContact CG-CG 3.55Å; P156-W180 HydrophobicContact CB-CH2 4.31Å; P156-W180 HydrophobicContact CB-CZ2 3.85Å; P156-W180 HydrophobicContact CG-CZ2 4.21Å; P156-V203 HydrophobicContact CB-CG1 4.32Å; P156-W204 CarbonylContact C-O 3.56Å; P156-W204 VanDerWaalsContact CA-O 3.25Å; P156-W204 WeakPolarHBondContact CA-O 3.48Å; P156-L215 HydrophobicContact CB-CD1 3.9Å |
| 157 | F | 97.3 | Very high | 89.2 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 151.1 | 163 | 71.9 | -81.1 | 0 | 0 | 0 | 111.1 | I171 V203 W204 W206 N212 | F157-I171 HydrophobicContact CB-CG1 3.89Å; F157-I171 HydrophobicContact CD1-CG1 4.19Å; F157-I171 HydrophobicContact CG-CG1 4.23Å; F157-V203 WeakPolarHBondContact O-CA 3.3Å; F157-W204 HydrophobicContact CD1-CB 3.94Å; F157-W204 WeakPolarHBondContact CD1-O 3.41Å; F157-W204 HydrophobicContact CE1-CB 3.31Å; F157-W204 HydrophobicContact CE1-CG 4.3Å; F157-W204 HydrophobicContact CE2-CB 4.07Å; F157-W204 HydrophobicContact CE2-CG 4.37Å; F157-W204 HydrophobicContact CZ-CB 3.38Å; F157-W204 AromaticContact CZ-CG 3.89Å; F157-W204 HydrophobicContact CZ-CG 3.89Å; F157-W204 PolarHBondContact N-O 2.91Å; F157-W204 PolarHBondContact O-N 3.48Å; F157-W206 HydrophobicContact CD1-CB 4.07Å; F157-W206 HydrophobicContact CE1-CB 4.21Å; F157-N212 WeakPolarHBondContact CE1-ND2 3.26Å; F157-N212 WeakPolarHBondContact CZ-ND2 3.24Å |
| 158 | G | 96.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 146.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | E168 T169 E202 | G158-E168 CarbonylContact O-C 3.55Å; G158-E168 VanDerWaalsContact O-CA 3.26Å; G158-E168 WeakPolarHBondContact O-CA 3.31Å; G158-T169 PolarHBondContact N-OG1 2.93Å; G158-T169 PolarHBondContact O-N 3.4Å; G158-E202 CarbonylContact C-O 3.5Å; G158-E202 VanDerWaalsContact CA-O 3.29Å; G158-E202 WeakPolarHBondContact CA-O 3.36Å |
| 159 | R | 96.4 | Very high | 90.4 | Very high | 63 Ų | 63 | 43.4 Ų | 43.4 | 24% | 0.238 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 122.7 | 173.1 | -178.9 | -172.4 | -68.2 | 153.2 | -1.5 | 109.6 | I161 A167 E168 V201 E202 | R159-I161 HydrophobicContact CG-CD1 4.34Å; R159-I161 HydrophobicContact CG-CG1 3.92Å; R159-A167 CarbonylContact C-O 3.5Å; R159-A167 WeakPolarHBondContact CA-O 2.91Å; R159-E168 HydrophobicContact CB-CG 4.01Å; R159-E168 HydrophobicContact CG-CG 3.88Å; R159-E168 IonicContact CZ-OE1 3.14Å; R159-E168 IonicContact NE-OE1 3.96Å; R159-E168 PolarHBondContact NE-OE1 3.37Å; R159-E168 IonicContact NH2-OE1 2.7Å; R159-E168 PolarHBondContact NH2-OE1 3.21Å; R159-V201 CarbonylContact O-C 3.53Å; R159-V201 WeakPolarHBondContact O-CA 3.33Å; R159-E202 HydrophobicContact CB-CB 4.47Å; R159-E202 PolarHBondContact N-O 2.96Å; R159-E202 IonicContact NH1-OE2 3.01Å; R159-E202 PolarHBondContact NH1-OE2 3.11Å; R159-E202 PolarHBondContact O-N 3.29Å |
| 160 | I | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 138.4 | 167.7 | -177 | 166.6 | 0 | 0 | 0 | 109.8 | L135 C137 S166 A167 L184 L186 V199 V200 V201 | L135-I160 HydrophobicContact CD2-CD1 4.13Å; L135-I160 HydrophobicContact CG-CD1 4.47Å; C137-I160 HydrophobicContact CB-CD1 3.25Å; I160-S166 CarbonylContact O-C 3.57Å; I160-S166 WeakPolarHBondContact O-CA 3.43Å; I160-S166 WeakPolarHBondContact O-CB 3.13Å; I160-A167 HydrophobicContact CG2-CB 3.92Å; I160-A167 PolarHBondContact N-O 3.39Å; I160-A167 PolarHBondContact O-N 3.42Å; I160-L184 HydrophobicContact CG2-CB 3.91Å; I160-L184 HydrophobicContact CG2-CD1 3.75Å; I160-L186 HydrophobicContact CD1-CD1 4.29Å; I160-L186 HydrophobicContact CG1-CD1 4.02Å; I160-L186 HydrophobicContact CG2-CD1 4.23Å; I160-L186 HydrophobicContact CG2-CD2 4.26Å; I160-L186 HydrophobicContact CG2-CG 4.33Å; I160-V199 HydrophobicContact CD1-CG1 3.71Å; I160-V199 HydrophobicContact CG1-CG1 3.94Å; I160-V200 CarbonylContact C-O 3.47Å; I160-V200 WeakPolarHBondContact CA-O 3.43Å; I160-V201 HydrophobicContact CB-CG2 4.4Å; I160-V201 HydrophobicContact CD1-CG2 4.48Å; I160-V201 HydrophobicContact CG1-CG2 4.23Å |
| 161 | I | 93.9 | Very high | 92 | Very high | 48 Ų | 48 | 39 Ų | 39 | 25% | 0.246 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 130.1 | 178.5 | -50.4 | 173.5 | 0 | 0 | 0 | 108.4 | R159 H165 V200 E202 | R159-I161 HydrophobicContact CG-CD1 4.34Å; R159-I161 HydrophobicContact CG-CG1 3.92Å; I161-H165 WeakPolarHBondContact CA-O 3.36Å; I161-V200 HydrophobicContact CB-CB 4.39Å; I161-V200 PolarHBondContact N-O 3.06Å; I161-V200 PolarHBondContact O-N 2.91Å; I161-E202 HydrophobicContact CD1-CG 4.22Å |
| 162 | F | 91.5 | Very high | 93 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 125.7 | 167.8 | -178.9 | -105.2 | 0 | 0 | 0 | 108.8 | L135 N164 H165 L186 L188 V199 F222 | L135-F162 HydrophobicContact CD2-CB 4.06Å; L135-F162 HydrophobicContact CD2-CG 4.25Å; F162-N164 PolarHBondContact O-N 3.34Å; F162-H165 PolarHBondContact N-O 3.01Å; F162-H165 WeakPolarHBondContact O-CB 3.34Å; F162-H165 PolarHBondContact O-N 3.35Å; F162-L186 HydrophobicContact CB-CD1 3.98Å; F162-L188 HydrophobicContact CD1-CD1 4.33Å; F162-L188 HydrophobicContact CD1-CD2 3.57Å; F162-L188 HydrophobicContact CE1-CD1 4.08Å; F162-L188 HydrophobicContact CE1-CD2 3.91Å; F162-V199 HydrophobicContact CD2-CB 4.46Å; F162-V199 HydrophobicContact CD2-CG2 3.7Å; F162-V199 HydrophobicContact CE2-CG2 4.25Å; F162-V199 HydrophobicContact CG-CG2 4.29Å; F162-F222 HydrophobicContact CD2-CD2 4.32Å; F162-F222 HydrophobicContact CE1-CD2 4.31Å; F162-F222 HydrophobicContact CE1-CE2 4.16Å; F162-F222 HydrophobicContact CE1-CZ 4.45Å; F162-F222 HydrophobicContact CE2-CB 3.85Å; F162-F222 HydrophobicContact CE2-CD1 4.46Å; F162-F222 AromaticContact CE2-CD2 3.6Å; F162-F222 HydrophobicContact CE2-CD2 3.6Å; F162-F222 HydrophobicContact CE2-CE2 4.26Å; F162-F222 AromaticContact CE2-CG 3.73Å; F162-F222 HydrophobicContact CE2-CG 3.73Å; F162-F222 HydrophobicContact CZ-CB 4.28Å; F162-F222 HydrophobicContact CZ-CD1 4.04Å; F162-F222 AromaticContact CZ-CD2 3.6Å; F162-F222 HydrophobicContact CZ-CD2 3.6Å; F162-F222 HydrophobicContact CZ-CE1 4.25Å; F162-F222 AromaticContact CZ-CE2 3.84Å; F162-F222 HydrophobicContact CZ-CE2 3.84Å; F162-F222 AromaticContact CZ-CG 3.71Å; F162-F222 HydrophobicContact CZ-CG 3.71Å; F162-F222 HydrophobicContact CZ-CZ 4.16Å |
| 163 | N | 86.5 | Confident | 93.8 | Very high | 56 Ų | 56 | 42.1 Ų | 42.1 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | -118.5 | -170.9 | -68.6 | -4.8 | 0 | 0 | 0 | 111.9 | E192 E195 | N163-E192 PolarHBondContact ND2-OE1 3.14Å; N163-E195 PolarHBondContact ND2-OE2 2.85Å |
| 164 | N | 85.6 | Confident | 93.9 | Very high | 161 Ų | 161 | 48.4 Ų | 48.4 | 86% | 0.861 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 5.4 | 179.1 | -67.5 | -19 | 0 | 0 | 0 | 113.1 | F162 | F162-N164 PolarHBondContact O-N 3.34Š|
| 165 | H | 90.2 | Very high | 94 | Very high | 53 Ų | 53 | 48.5 Ų | 48.5 | 25% | 0.245 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 140 | -177.3 | -54.8 | -80.3 | 0 | 0 | 0 | 110.7 | I161 F162 L186 E187 E192 | I161-H165 WeakPolarHBondContact CA-O 3.36Å; F162-H165 PolarHBondContact N-O 3.01Å; F162-H165 WeakPolarHBondContact O-CB 3.34Å; F162-H165 PolarHBondContact O-N 3.35Å; H165-L186 HydrophobicContact CB-CB 4.03Å; H165-L186 HydrophobicContact CB-CD1 4.02Å; H165-L186 HydrophobicContact CB-CD2 4.06Å; H165-L186 HydrophobicContact CB-CG 4.25Å; H165-E187 PolarHBondContact CE1-O 3.16Å; H165-E187 PolarHBondContact ND1-O 2.93Å; H165-E187 PolarHBondContact NE2-O 3.03Å; H165-E192 IonicContact CD2-OE1 2.78Å; H165-E192 IonicContact CD2-OE2 3.44Å; H165-E192 IonicContact NE2-OE1 3.78Å; H165-E192 PolarHBondContact NE2-OE1 3.26Å; H165-E192 IonicContact NE2-OE2 3.69Å; H165-E192 PolarHBondContact NE2-OE2 3.41Å |
| 166 | S | 94.6 | Very high | 93.9 | Very high | 77 Ų | 77 | 49.1 Ų | 49.1 | 54% | 0.538 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 145.7 | 174.5 | 65.8 | 0 | 0 | 0 | 0 | 112.4 | I160 | I160-S166 CarbonylContact O-C 3.57Å; I160-S166 WeakPolarHBondContact O-CA 3.43Å; I160-S166 WeakPolarHBondContact O-CB 3.13Å |
| 167 | A | 95.5 | Very high | 93.7 | Very high | 22 Ų | 22 | 49.4 Ų | 49.4 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 154.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | R159 I160 L184 L186 | R159-A167 CarbonylContact C-O 3.5Å; R159-A167 WeakPolarHBondContact CA-O 2.91Å; I160-A167 HydrophobicContact CG2-CB 3.92Å; I160-A167 PolarHBondContact N-O 3.39Å; I160-A167 PolarHBondContact O-N 3.42Å; A167-L184 HydrophobicContact CB-CB 3.98Å; A167-L184 HydrophobicContact CB-CD1 4.27Å; A167-L184 HydrophobicContact CB-CD2 4.35Å; A167-L184 HydrophobicContact CB-CG 4.43Å; A167-L186 HydrophobicContact CB-CD2 3.75Å |
| 168 | E | 97.3 | Very high | 93.6 | Very high | 96 Ų | 96 | 49.1 Ų | 49.1 | 45% | 0.449 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 150.1 | -174 | -64 | -179.9 | 162 | 0 | 0 | 111.5 | G158 R159 L184 | G158-E168 CarbonylContact O-C 3.55Å; G158-E168 VanDerWaalsContact O-CA 3.26Å; G158-E168 WeakPolarHBondContact O-CA 3.31Å; R159-E168 HydrophobicContact CB-CG 4.01Å; R159-E168 HydrophobicContact CG-CG 3.88Å; R159-E168 IonicContact CZ-OE1 3.14Å; R159-E168 IonicContact NE-OE1 3.96Å; R159-E168 PolarHBondContact NE-OE1 3.37Å; R159-E168 IonicContact NH2-OE1 2.7Å; R159-E168 PolarHBondContact NH2-OE1 3.21Å; E168-L184 WeakPolarHBondContact O-CD2 3.41Å |
| 169 | T | 97.6 | Very high | 93.5 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -82 | 171.9 | 171.1 | 69.9 | 0 | 0 | 0 | 0 | 111.5 | V139 G158 W180 E182 L184 | V139-T169 HydrophobicContact CB-CG2 3.75Å; V139-T169 HydrophobicContact CG1-CG2 3.91Å; V139-T169 HydrophobicContact CG2-CG2 3.93Å; G158-T169 PolarHBondContact N-OG1 2.93Å; G158-T169 PolarHBondContact O-N 3.4Å; T169-W180 HydrophobicContact CG2-CG 4.35Å; T169-W180 PolarHBondContact OG1-NE1 2.84Å; T169-E182 VanDerWaalsContact CA-OE2 3.28Å; T169-E182 WeakPolarHBondContact CA-OE2 3.44Å; T169-E182 HydrophobicContact CG2-CB 4.35Å; T169-L184 HydrophobicContact CG2-CD1 3.97Å |
| 170 | S | 96.8 | Very high | 93.5 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 44% | 0.441 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 158.1 | 163.1 | 76.4 | 0 | 0 | 0 | 0 | 112.5 | W180 E182 | S170-W180 PolarHBondContact O-NE1 3.33Å; S170-E182 WeakPolarHBondContact CB-OE1 3.37Å; S170-E182 PolarHBondContact N-OE1 2.61Å; S170-E182 PolarHBondContact N-OE2 2.84Å; S170-E182 PolarHBondContact OG-OE1 3.45Å |
| 171 | I | 97.1 | Very high | 93.4 | Very high | 70 Ų | 70 | 52.9 Ų | 52.9 | 36% | 0.359 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 125.6 | 176.5 | -63.3 | 155 | 0 | 0 | 0 | 109.1 | D155 F157 K173 W206 | D155-I171 HydrophobicContact CB-CG2 4.13Å; F157-I171 HydrophobicContact CB-CG1 3.89Å; F157-I171 HydrophobicContact CD1-CG1 4.19Å; F157-I171 HydrophobicContact CG-CG1 4.23Å; I171-K173 HydrophobicContact CG2-CG 4.26Å; I171-W206 HydrophobicContact CD1-CB 3.97Å; I171-W206 VanDerWaalsContact CD1-CD1 3.49Å; I171-W206 HydrophobicContact CD1-CD2 4.06Å; I171-W206 HydrophobicContact CD1-CG 3.54Å; I171-W206 HydrophobicContact CG1-CB 4.09Å; I171-W206 HydrophobicContact CG1-CG 4.21Å; I171-W206 HydrophobicContact CG2-CB 3.86Å; I171-W206 HydrophobicContact CG2-CG 4.3Å |
| 172 | I | 95.4 | Very high | 93.6 | Very high | 33 Ų | 33 | 53 Ų | 53 | 17% | 0.169 | 28% | 0.28 | C | S | . | . | trans | -106.5 | 117.5 | 174.8 | -58 | -178.6 | 0 | 0 | 0 | 108.8 | D155 P156 T175 P178 H179 W180 L700 | D155-I172 CarbonylContact C-O 3.57Å; D155-I172 WeakPolarHBondContact CA-O 3.27Å; P156-I172 WeakPolarHBondContact CD-O 3.49Å; P156-I172 PolarHBondContact O-N 3.48Å; I172-T175 HydrophobicContact CB-CG2 4.25Å; I172-T175 HydrophobicContact CG2-CG2 3.54Å; I172-P178 HydrophobicContact CB-CB 4.21Å; I172-P178 HydrophobicContact CD1-CB 3.92Å; I172-P178 HydrophobicContact CG2-CB 4.5Å; I172-H179 WeakPolarHBondContact CD1-O 3.42Å; I172-W180 HydrophobicContact CD1-CD2 4.26Å; I172-W180 HydrophobicContact CD1-CG 3.86Å; I172-L700 HydrophobicContact CG2-CD1 4.14Å | ||
| 173 | K | 93.1 | Very high | 93.8 | Very high | 106 Ų | 106 | 56.5 Ų | 56.5 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | trans | -84.8 | 147.1 | -172.2 | -59.6 | -163.1 | 172.3 | -158.4 | 0 | 114.5 | D155 I171 L700 | D155-K173 HydrophobicContact CB-CG 4.34Å; D155-K173 WeakPolarHBondContact OD1-CA 3.36Å; D155-K173 VanDerWaalsContact OD1-CB 3.26Å; D155-K173 WeakPolarHBondContact OD1-CB 3.42Å; I171-K173 HydrophobicContact CG2-CG 4.26Å; K173-L700 WeakPolarHBondContact O-CD1 3.47Å | ||
| 174 | K | 90.3 | Very high | 94.2 | Very high | 134 Ų | 134 | 54.5 Ų | 54.5 | 58% | 0.583 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 57.4 | 47.4 | 169 | -57.9 | -178.3 | 177.9 | -175.3 | 0 | 113.7 | T153 S154 D155 | T153-K174 WeakPolarHBondContact OG1-CA 3.24Å; S154-K174 CarbonylContact O-C 3.58Å; S154-K174 WeakPolarHBondContact O-CA 3.33Å; S154-K174 PolarHBondContact O-N 3.08Å; D155-K174 PolarHBondContact OD1-N 3.16Å |
| 175 | T | 91.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | trans | -148.5 | 144.5 | 177.2 | -175.7 | 0 | 0 | 0 | 0 | 112 | S154 P156 I172 F177 P178 C698 L700 | S154-T175 PolarHBondContact O-N 2.88Å; P156-T175 VanDerWaalsContact CD-O 3.3Å; P156-T175 WeakPolarHBondContact CD-O 3.47Å; P156-T175 HydrophobicContact CG-CG2 4.23Å; I172-T175 HydrophobicContact CB-CG2 4.25Å; I172-T175 HydrophobicContact CG2-CG2 3.54Å; T175-F177 PolarHBondContact OG1-N 3.12Å; T175-F177 PolarHBondContact OG1-O 3.33Å; T175-P178 HydrophobicContact CG2-CB 4.05Å; T175-C698 PolarHBondContact OG1-O 2.95Å; T175-L700 HydrophobicContact CG2-CD1 4.23Å | ||
| 176 | R | 91.9 | Very high | 94.6 | Very high | 28 Ų | 28 | 49.4 Ų | 49.4 | 11% | 0.106 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -100 | 3.6 | 167.8 | -58.7 | 171.2 | 63.1 | -136.8 | -12.6 | 111.8 | R143 D144 L145 G152 P178 D631 | R143-R176 CarbonylContact C-O 3.56Å; D144-R176 PolarHBondContact N-O 3.34Å; D144-R176 IonicContact OD1-CZ 3.88Å; D144-R176 IonicContact OD1-NH1 3.3Å; D144-R176 IonicContact OD1-NH2 2.74Å; D144-R176 PolarHBondContact OD1-NH2 3.13Å; L145-R176 HydrophobicContact CB-CB 4.38Å; L145-R176 PolarHBondContact N-O 3.5Å; L145-R176 VanDerWaalsContact N-O 3.11Å; L145-R176 PolarHBondContact O-NE 3.38Å; L145-R176 PolarHBondContact O-NH2 3.12Å; G152-R176 WeakPolarHBondContact O-CD 3.43Å; R176-P178 VanDerWaalsContact C-CD 3.42Å; R176-D631 WeakPolarHBondContact CD-OD2 3.44Å; R176-D631 IonicContact CZ-OD2 3.16Å; R176-D631 IonicContact NE-OD2 2.65Å; R176-D631 IonicContact NH1-OD2 3.53Å; R176-D631 PolarHBondContact NH1-OD2 2.95Å |
| 177 | F | 93.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -133.6 | 55.6 | -174.3 | -57.2 | -90.3 | 0 | 0 | 0 | 110.7 | A142 R143 D144 T175 P688 C698 C699 C709 | A142-F177 CarbonylContact O-C 3.46Å; A142-F177 VanDerWaalsContact O-CA 3.27Å; A142-F177 WeakPolarHBondContact O-CA 3.17Å; R143-F177 HydrophobicContact CB-CD1 3.69Å; R143-F177 HydrophobicContact CB-CE1 4.02Å; D144-F177 HydrophobicContact CB-CE1 4.14Å; D144-F177 HydrophobicContact CB-CZ 4.31Å; D144-F177 VanDerWaalsContact N-CE1 3.26Å; T175-F177 PolarHBondContact OG1-N 3.12Å; T175-F177 PolarHBondContact OG1-O 3.33Å; F177-P688 HydrophobicContact CD2-CG 4.35Å; F177-P688 HydrophobicContact CE1-CG 3.85Å; F177-P688 HydrophobicContact CE2-CG 3.63Å; F177-P688 HydrophobicContact CZ-CB 4.36Å; F177-P688 HydrophobicContact CZ-CG 3.36Å; F177-C698 HydrophobicContact CD2-CB 3.74Å; F177-C698 HydrophobicContact CE2-CB 4.16Å; F177-C698 HydrophobicContact CG-CB 4.32Å; F177-C699 HydrophobicContact CB-CB 4.06Å; F177-C699 WeakPolarHBondContact O-CA 3.31Å; F177-C709 HydrophobicContact CB-CB 4.28Å; F177-C709 HydrophobicContact CD1-CB 4.19Å; F177-C709 WeakPolarHBondContact CD1-O 3.22Å; F177-C709 VanDerWaalsContact CD1-SG 3.56Å; F177-C709 HydrophobicContact CG-CB 4.47Å |
| 178 | P | 95.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | trans | -67.4 | 144.9 | -177.3 | 30.2 | -37.9 | 0 | 0 | 0 | 112.3 | E141 A142 L145 P156 I172 T175 R176 W180 | E141-P178 CarbonylContact C-O 3.4Å; E141-P178 VanDerWaalsContact CA-O 3.24Å; E141-P178 WeakPolarHBondContact CA-O 3.45Å; E141-P178 WeakPolarHBondContact CB-O 3.23Å; A142-P178 HydrophobicContact CB-CG 3.93Å; A142-P178 PolarHBondContact N-O 3.08Å; A142-P178 WeakPolarHBondContact O-CD 3.35Å; L145-P178 HydrophobicContact CD1-CG 3.75Å; P156-P178 HydrophobicContact CB-CG 4.14Å; P156-P178 HydrophobicContact CG-CB 3.69Å; P156-P178 HydrophobicContact CG-CG 3.55Å; I172-P178 HydrophobicContact CB-CB 4.21Å; I172-P178 HydrophobicContact CD1-CB 3.92Å; I172-P178 HydrophobicContact CG2-CB 4.5Å; T175-P178 HydrophobicContact CG2-CB 4.05Å; R176-P178 VanDerWaalsContact C-CD 3.42Å; P178-W180 HydrophobicContact CB-CD2 4.12Å; P178-W180 HydrophobicContact CB-CE3 4.15Å; P178-W180 HydrophobicContact CB-CH2 3.72Å; P178-W180 HydrophobicContact CB-CZ2 3.62Å; P178-W180 HydrophobicContact CB-CZ3 3.97Å; P178-W180 HydrophobicContact CG-CE3 4.16Å; P178-W180 HydrophobicContact CG-CH2 3.11Å; P178-W180 HydrophobicContact CG-CZ2 3.5Å; P178-W180 VanDerWaalsContact CG-CZ2 3.5Å; P178-W180 HydrophobicContact CG-CZ3 3.47Å; P178-W180 VanDerWaalsContact CG-CZ3 3.47Å | ||
| 179 | H | 94.6 | Very high | 93.2 | Very high | 90 Ų | 90 | 51.9 Ų | 51.9 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 98.7 | 171.1 | -179.5 | -68.4 | 0 | 0 | 0 | 108.6 | E141 I172 | E141-H179 HydrophobicContact CB-CB 4.3Å; E141-H179 IonicContact OE2-CD2 3.23Å; I172-H179 WeakPolarHBondContact CD1-O 3.42Å |
| 180 | W | 95.8 | Very high | 92 | Very high | 20 Ų | 20 | 55.1 Ų | 55.1 | 8% | 0.076 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -53.2 | -179.7 | -61.6 | -86.2 | 0 | 0 | 0 | 111.1 | V139 I140 A142 P156 T169 S170 I172 P178 E182 V203 | V139-W180 HydrophobicContact CG1-CD2 4.27Å; V139-W180 HydrophobicContact CG1-CE3 3.8Å; V139-W180 HydrophobicContact CG1-CZ3 4.19Å; I140-W180 PolarHBondContact O-N 2.9Å; A142-W180 HydrophobicContact CB-CH2 3.94Å; A142-W180 HydrophobicContact CB-CZ3 3.66Å; P156-W180 HydrophobicContact CB-CH2 4.31Å; P156-W180 HydrophobicContact CB-CZ2 3.85Å; P156-W180 HydrophobicContact CG-CZ2 4.21Å; T169-W180 HydrophobicContact CG2-CG 4.35Å; T169-W180 PolarHBondContact OG1-NE1 2.84Å; S170-W180 PolarHBondContact O-NE1 3.33Å; I172-W180 HydrophobicContact CD1-CD2 4.26Å; I172-W180 HydrophobicContact CD1-CG 3.86Å; P178-W180 HydrophobicContact CB-CD2 4.12Å; P178-W180 HydrophobicContact CB-CE3 4.15Å; P178-W180 HydrophobicContact CB-CH2 3.72Å; P178-W180 HydrophobicContact CB-CZ2 3.62Å; P178-W180 HydrophobicContact CB-CZ3 3.97Å; P178-W180 HydrophobicContact CG-CE3 4.16Å; P178-W180 HydrophobicContact CG-CH2 3.11Å; P178-W180 HydrophobicContact CG-CZ2 3.5Å; P178-W180 VanDerWaalsContact CG-CZ2 3.5Å; P178-W180 HydrophobicContact CG-CZ3 3.47Å; P178-W180 VanDerWaalsContact CG-CZ3 3.47Å; W180-E182 HydrophobicContact CB-CB 4.29Å; W180-E182 HydrophobicContact CB-CG 4.1Å; W180-E182 PolarHBondContact O-N 3.17Å; W180-V203 HydrophobicContact CH2-CG1 4.34Å |
| 181 | G | 93.8 | Very high | 90.8 | Very high | 33 Ų | 33 | 60 Ų | 60 | 34% | 0.34 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 61.6 | 25 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V139 I140 | V139-G181 PolarHBondContact O-N 3.46Å; V139-G181 VanDerWaalsContact O-N 3.14Å; I140-G181 PolarHBondContact O-N 3.03Å |
| 182 | E | 96.9 | Very high | 89.6 | Confident | 51 Ų | 51 | 57.8 Ų | 57.8 | 24% | 0.238 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 142.2 | -172.6 | -70.4 | 178.2 | -128.9 | 0 | 0 | 111.1 | Q138 V139 T169 S170 W180 | Q138-E182 CarbonylContact C-O 3.57Å; Q138-E182 WeakPolarHBondContact CA-O 3.37Å; V139-E182 PolarHBondContact N-O 2.94Å; V139-E182 PolarHBondContact O-N 3.34Å; V139-E182 VanDerWaalsContact O-N 3.1Å; T169-E182 VanDerWaalsContact CA-OE2 3.28Å; T169-E182 WeakPolarHBondContact CA-OE2 3.44Å; T169-E182 HydrophobicContact CG2-CB 4.35Å; S170-E182 WeakPolarHBondContact CB-OE1 3.37Å; S170-E182 PolarHBondContact N-OE1 2.61Å; S170-E182 PolarHBondContact N-OE2 2.84Å; S170-E182 PolarHBondContact OG-OE1 3.45Å; W180-E182 HydrophobicContact CB-CB 4.29Å; W180-E182 HydrophobicContact CB-CG 4.1Å; W180-E182 PolarHBondContact O-N 3.17Å |
| 183 | T | 96.3 | Very high | 88.4 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 45% | 0.448 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.2 | 176.6 | -57.1 | 0 | 0 | 0 | 0 | 109.5 | R136 | R136-T183 HydrophobicContact CG-CG2 3.41Å; R136-T183 VanDerWaalsContact CG-CG2 3.41Å |
| 184 | L | 95.1 | Very high | 87 | Confident | 15 Ų | 15 | 59.1 Ų | 59.1 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 135.7 | 178 | -54 | -178.9 | 0 | 0 | 0 | 109 | R136 C137 V139 I160 A167 E168 T169 | R136-L184 WeakPolarHBondContact CA-O 3.29Å; C137-L184 PolarHBondContact N-O 3.25Å; C137-L184 PolarHBondContact O-N 3.11Å; V139-L184 HydrophobicContact CG2-CD1 4.04Å; I160-L184 HydrophobicContact CG2-CB 3.91Å; I160-L184 HydrophobicContact CG2-CD1 3.75Å; A167-L184 HydrophobicContact CB-CB 3.98Å; A167-L184 HydrophobicContact CB-CD1 4.27Å; A167-L184 HydrophobicContact CB-CD2 4.35Å; A167-L184 HydrophobicContact CB-CG 4.43Å; E168-L184 WeakPolarHBondContact O-CD2 3.41Å; T169-L184 HydrophobicContact CG2-CD1 3.97Å |
| 185 | E | 93.5 | Very high | 85.9 | Confident | 100 Ų | 100 | 57.4 Ų | 57.4 | 47% | 0.467 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.7 | -179.9 | -67.3 | -174.1 | 175.5 | 0 | 0 | 110.2 | L135 R136 | L135-E185 WeakPolarHBondContact O-CA 3.13Å; R136-E185 HydrophobicContact CB-CG 4.34Å; R136-E185 HydrophobicContact CG-CG 4.18Å; R136-E185 IonicContact CZ-OE1 3.85Å; R136-E185 IonicContact NE-OE1 3.49Å; R136-E185 PolarHBondContact NE-OE1 3.49Å; R136-E185 IonicContact NH2-OE1 3.9Å; R136-E185 PolarHBondContact NH2-OE1 3.09Å |
| 186 | L | 91.3 | Very high | 84.9 | Confident | 7 Ų | 7 | 67.2 Ų | 67.2 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 121.3 | 171.6 | -53.3 | -177.7 | 0 | 0 | 0 | 108.2 | S134 L135 I160 F162 H165 A167 | S134-L186 CarbonylContact C-O 3.56Å; S134-L186 VanDerWaalsContact CA-O 3.25Å; S134-L186 WeakPolarHBondContact CA-O 3.11Å; S134-L186 WeakPolarHBondContact CB-O 3.21Å; L135-L186 HydrophobicContact CB-CB 4.42Å; L135-L186 HydrophobicContact CD2-CD1 4.42Å; L135-L186 PolarHBondContact N-O 3.24Å; L135-L186 PolarHBondContact O-N 3.33Å; I160-L186 HydrophobicContact CD1-CD1 4.29Å; I160-L186 HydrophobicContact CG1-CD1 4.02Å; I160-L186 HydrophobicContact CG2-CD1 4.23Å; I160-L186 HydrophobicContact CG2-CD2 4.26Å; I160-L186 HydrophobicContact CG2-CG 4.33Å; F162-L186 HydrophobicContact CB-CD1 3.98Å; H165-L186 HydrophobicContact CB-CB 4.03Å; H165-L186 HydrophobicContact CB-CD1 4.02Å; H165-L186 HydrophobicContact CB-CD2 4.06Å; H165-L186 HydrophobicContact CB-CG 4.25Å; A167-L186 HydrophobicContact CB-CD2 3.75Å |
| 187 | E | 88.6 | Confident | 84.3 | Confident | 121 Ų | 121 | 66.8 Ų | 66.8 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 126.2 | 173.8 | -64.6 | -162.2 | 160.6 | 0 | 0 | 109.2 | K132 H165 | K132-E187 IonicContact NZ-OE1 2.73Å; K132-E187 PolarHBondContact NZ-OE1 3.07Å; K132-E187 IonicContact NZ-OE2 2.88Å; K132-E187 PolarHBondContact NZ-OE2 3.3Å; H165-E187 PolarHBondContact CE1-O 3.16Å; H165-E187 PolarHBondContact ND1-O 2.93Å; H165-E187 PolarHBondContact NE2-O 3.03Å |
| 188 | L | 86.4 | Confident | 84.1 | Confident | 10 Ų | 10 | 69.4 Ų | 69.4 | 5% | 0.052 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 140.7 | -176.8 | -56.8 | -178 | 0 | 0 | 0 | 111.5 | L126 S133 L135 F162 F222 | L126-L188 HydrophobicContact CD1-CD1 4.13Å; S133-L188 PolarHBondContact O-N 2.95Å; L135-L188 HydrophobicContact CB-CD1 4.03Å; L135-L188 HydrophobicContact CB-CG 4.43Å; F162-L188 HydrophobicContact CD1-CD1 4.33Å; F162-L188 HydrophobicContact CD1-CD2 3.57Å; F162-L188 HydrophobicContact CE1-CD1 4.08Å; F162-L188 HydrophobicContact CE1-CD2 3.91Å; L188-F222 HydrophobicContact CD1-CE2 4.27Å; L188-F222 HydrophobicContact CD1-CZ 4.18Å |
| 189 | D | 82.5 | Confident | 83.9 | Confident | 116 Ų | 116 | 69.4 Ų | 69.4 | 62% | 0.62 | 37% | 0.369 | S | S | * | . | trans | -78.2 | 157.2 | 172.1 | -73.8 | -33.7 | 0 | 0 | 0 | 111.4 | E191 E192 | D189-E191 PolarHBondContact O-N 3.22Å; D189-E191 VanDerWaalsContact O-N 3.12Å; D189-E192 HydrophobicContact CB-CG 4.28Å; D189-E192 PolarHBondContact N-OE2 3.45Å; D189-E192 PolarHBondContact O-N 3.37Å; D189-E192 VanDerWaalsContact O-N 3.12Å | ||
| 190 | A | 72.4 | Confident | 83.9 | Confident | 78 Ų | 78 | 66.3 Ų | 66.3 | 65% | 0.645 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 191 | E | 70.8 | Confident | 83.9 | Confident | 167 Ų | 167 | 65.4 Ų | 65.4 | 78% | 0.78 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -34.2 | 178.7 | -61.8 | -176.5 | 175.2 | 0 | 0 | 111.8 | D189 L193 N194 | D189-E191 PolarHBondContact O-N 3.22Å; D189-E191 VanDerWaalsContact O-N 3.12Å; E191-L193 VanDerWaalsContact C-N 3.26Å; E191-L193 PolarHBondContact O-N 3.31Å; E191-N194 PolarHBondContact O-N 2.86Å |
| 192 | E | 72.9 | Confident | 84 | Confident | 22 Ų | 22 | 65 Ų | 65 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -70.3 | -20.5 | -178.5 | -58.7 | -175.4 | 122.1 | 0 | 0 | 112.8 | N163 H165 D189 N194 E195 | N163-E192 PolarHBondContact ND2-OE1 3.14Å; H165-E192 IonicContact CD2-OE1 2.78Å; H165-E192 IonicContact CD2-OE2 3.44Å; H165-E192 IonicContact NE2-OE1 3.78Å; H165-E192 PolarHBondContact NE2-OE1 3.26Å; H165-E192 IonicContact NE2-OE2 3.69Å; H165-E192 PolarHBondContact NE2-OE2 3.41Å; D189-E192 HydrophobicContact CB-CG 4.28Å; D189-E192 PolarHBondContact N-OE2 3.45Å; D189-E192 PolarHBondContact O-N 3.37Å; D189-E192 VanDerWaalsContact O-N 3.12Å; E192-N194 PolarHBondContact O-N 2.87Å; E192-E195 PolarHBondContact O-N 3.44Å |
| 193 | L | 69.6 | Low | 83.9 | Confident | 24 Ų | 24 | 62.5 Ų | 62.5 | 13% | 0.126 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -69.6 | -17.2 | 178 | -72.5 | 159.6 | 0 | 0 | 0 | 114.2 | L126 S133 E191 H226 | L126-L193 HydrophobicContact CD1-CD2 4.05Å; L126-L193 HydrophobicContact CD2-CD2 4.15Å; S133-L193 VanDerWaalsContact OG-CD1 3.26Å; S133-L193 WeakPolarHBondContact OG-CD1 3.39Å; E191-L193 VanDerWaalsContact C-N 3.26Å; E191-L193 PolarHBondContact O-N 3.31Å; L193-H226 PolarHBondContact O-CE1 3.35Å |
| 194 | N | 64.7 | Low | 83.9 | Confident | 144 Ų | 144 | 60.3 Ų | 60.3 | 77% | 0.77 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -108.7 | 0.7 | 180 | -61.8 | -48.5 | 0 | 0 | 0 | 112.3 | E191 E192 | E191-N194 PolarHBondContact O-N 2.86Å; E192-N194 PolarHBondContact O-N 2.87Å |
| 195 | E | 66.4 | Low | 83.8 | Confident | 98 Ų | 98 | 59.6 Ų | 59.6 | 46% | 0.458 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -78.5 | 138.3 | 178.7 | -70.6 | -173.1 | 153.1 | 0 | 0 | 111.4 | N163 E192 G197 | N163-E195 PolarHBondContact ND2-OE2 2.85Å; E192-E195 PolarHBondContact O-N 3.44Å; E195-G197 PolarHBondContact O-N 3.35Å; E195-G197 VanDerWaalsContact O-N 3.11Å |
| 196 | E | 70.5 | Confident | 83.8 | Confident | 208 Ų | 208 | 58.3 Ų | 58.3 | 97% | 0.972 | 30% | 0.302 | S | S | * | . | trans | -73.6 | 98.2 | 164.9 | -68.5 | -174.3 | 175 | 0 | 0 | 108.1 | ||||
| 197 | G | 80.5 | Confident | 83.7 | Confident | 18 Ų | 18 | 60 Ų | 60 | 19% | 0.186 | 31% | 0.311 | C | S | . | . | trans | -128.1 | 174.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E195 F222 | E195-G197 PolarHBondContact O-N 3.35Å; E195-G197 VanDerWaalsContact O-N 3.11Å; G197-F222 WeakPolarHBondContact O-CB 3.3Å; G197-F222 PolarHBondContact O-N 3.09Å | ||
| 198 | T | 89.1 | Confident | 83.4 | Confident | 62 Ų | 62 | 61.5 Ų | 61.5 | 38% | 0.38 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 125.3 | 176.1 | -61.5 | 0 | 0 | 0 | 0 | 108.5 | V200 E219 I220 | T198-V200 HydrophobicContact CG2-CG2 4.15Å; T198-V200 PolarHBondContact O-N 3.48Å; T198-E219 HydrophobicContact CG2-CB 3.65Å; T198-E219 HydrophobicContact CG2-CG 4.11Å; T198-I220 WeakPolarHBondContact CA-O 3.41Å |
| 199 | V | 91.2 | Very high | 83 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 119.8 | 167.8 | -176.9 | 0 | 0 | 0 | 0 | 107.3 | L124 L135 I160 F162 I220 F222 L225 | L124-V199 HydrophobicContact CD2-CB 4.38Å; L124-V199 HydrophobicContact CD2-CG1 3.79Å; L135-V199 HydrophobicContact CD2-CB 4.41Å; L135-V199 HydrophobicContact CD2-CG1 3.89Å; L135-V199 HydrophobicContact CD2-CG2 3.59Å; I160-V199 HydrophobicContact CD1-CG1 3.71Å; I160-V199 HydrophobicContact CG1-CG1 3.94Å; F162-V199 HydrophobicContact CD2-CB 4.46Å; F162-V199 HydrophobicContact CD2-CG2 3.7Å; F162-V199 HydrophobicContact CE2-CG2 4.25Å; F162-V199 HydrophobicContact CG-CG2 4.29Å; V199-I220 HydrophobicContact CB-CB 4.45Å; V199-I220 PolarHBondContact N-O 2.97Å; V199-I220 PolarHBondContact O-N 2.92Å; V199-F222 HydrophobicContact CG2-CD2 3.95Å; V199-L225 HydrophobicContact CG2-CD1 4.19Å |
| 200 | V | 94 | Very high | 82.9 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 16% | 0.158 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.5 | 179 | -172.7 | 0 | 0 | 0 | 0 | 108.6 | I160 I161 T198 E202 K217 V218 E219 | I160-V200 CarbonylContact C-O 3.47Å; I160-V200 WeakPolarHBondContact CA-O 3.43Å; I161-V200 HydrophobicContact CB-CB 4.39Å; I161-V200 PolarHBondContact N-O 3.06Å; I161-V200 PolarHBondContact O-N 2.91Å; T198-V200 HydrophobicContact CG2-CG2 4.15Å; T198-V200 PolarHBondContact O-N 3.48Å; V200-E202 HydrophobicContact CG1-CG 3.96Å; V200-K217 HydrophobicContact CG1-CB 4.25Å; V200-K217 HydrophobicContact CG1-CD 4.24Å; V200-V218 WeakPolarHBondContact CA-O 3.27Å; V200-E219 HydrophobicContact CG1-CG 4.46Å; V200-E219 HydrophobicContact CG2-CG 4.27Å |
| 201 | V | 95.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 112.9 | 170.6 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | I120 L122 R159 I160 K217 V218 | I120-V201 HydrophobicContact CD1-CG1 4.22Å; L122-V201 HydrophobicContact CD1-CB 4.02Å; L122-V201 HydrophobicContact CD1-CG1 4.11Å; L122-V201 HydrophobicContact CD1-CG2 3.96Å; L122-V201 HydrophobicContact CD2-CG1 4.11Å; R159-V201 CarbonylContact O-C 3.53Å; R159-V201 WeakPolarHBondContact O-CA 3.33Å; I160-V201 HydrophobicContact CB-CG2 4.4Å; I160-V201 HydrophobicContact CD1-CG2 4.48Å; I160-V201 HydrophobicContact CG1-CG2 4.23Å; V201-K217 CarbonylContact O-C 3.48Å; V201-K217 WeakPolarHBondContact O-CA 3.31Å; V201-V218 PolarHBondContact N-O 3.02Å; V201-V218 PolarHBondContact O-N 3.35Å |
| 202 | E | 95.6 | Very high | 84.4 | Confident | 24 Ų | 24 | 62 Ų | 62 | 11% | 0.112 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 149.1 | 178.1 | -53.9 | -178.2 | 147.6 | 0 | 0 | 110.5 | G158 R159 I161 V200 W204 F214 G216 K217 | G158-E202 CarbonylContact C-O 3.5Å; G158-E202 VanDerWaalsContact CA-O 3.29Å; G158-E202 WeakPolarHBondContact CA-O 3.36Å; R159-E202 HydrophobicContact CB-CB 4.47Å; R159-E202 PolarHBondContact N-O 2.96Å; R159-E202 IonicContact NH1-OE2 3.01Å; R159-E202 PolarHBondContact NH1-OE2 3.11Å; R159-E202 PolarHBondContact O-N 3.29Å; I161-E202 HydrophobicContact CD1-CG 4.22Å; V200-E202 HydrophobicContact CG1-CG 3.96Å; E202-W204 VanDerWaalsContact CB-NE1 3.31Å; E202-W204 PolarHBondContact OE2-NE1 3.27Å; E202-F214 HydrophobicContact CB-CE2 4.31Å; E202-F214 HydrophobicContact CG-CE2 4.47Å; E202-G216 CarbonylContact C-O 3.41Å; E202-G216 WeakPolarHBondContact CA-O 3.43Å; E202-K217 HydrophobicContact CG-CB 4.25Å |
| 203 | V | 96 | Very high | 85.1 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134.6 | 170.8 | -170.3 | 0 | 0 | 0 | 0 | 107.5 | I120 L145 P156 F157 W180 L215 G216 L237 | I120-V203 HydrophobicContact CD1-CG2 3.6Å; L145-V203 HydrophobicContact CD1-CG1 4.23Å; L145-V203 HydrophobicContact CD2-CG1 4.42Å; P156-V203 HydrophobicContact CB-CG1 4.32Å; F157-V203 WeakPolarHBondContact O-CA 3.3Å; W180-V203 HydrophobicContact CH2-CG1 4.34Å; V203-L215 HydrophobicContact CB-CB 4.11Å; V203-L215 HydrophobicContact CG1-CB 3.98Å; V203-L215 HydrophobicContact CG1-CD1 4.09Å; V203-L215 WeakPolarHBondContact O-CA 3.43Å; V203-L215 WeakPolarHBondContact O-CB 3.36Å; V203-L215 PolarHBondContact O-N 2.65Å; V203-G216 PolarHBondContact N-O 3.01Å; V203-G216 PolarHBondContact O-N 3.29Å; V203-L237 HydrophobicContact CB-CD2 4.43Å; V203-L237 HydrophobicContact CG2-CD1 4.38Å; V203-L237 HydrophobicContact CG2-CD2 3.71Å |
| 204 | W | 94.6 | Very high | 86.1 | Confident | 26 Ų | 26 | 62.3 Ų | 62.3 | 10% | 0.098 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 148.1 | -174.3 | -68.1 | 90.6 | 0 | 0 | 0 | 110.1 | P156 F157 E202 N212 D213 F214 | P156-W204 CarbonylContact C-O 3.56Å; P156-W204 VanDerWaalsContact CA-O 3.25Å; P156-W204 WeakPolarHBondContact CA-O 3.48Å; F157-W204 HydrophobicContact CD1-CB 3.94Å; F157-W204 WeakPolarHBondContact CD1-O 3.41Å; F157-W204 HydrophobicContact CE1-CB 3.31Å; F157-W204 HydrophobicContact CE1-CG 4.3Å; F157-W204 HydrophobicContact CE2-CB 4.07Å; F157-W204 HydrophobicContact CE2-CG 4.37Å; F157-W204 HydrophobicContact CZ-CB 3.38Å; F157-W204 AromaticContact CZ-CG 3.89Å; F157-W204 HydrophobicContact CZ-CG 3.89Å; F157-W204 PolarHBondContact N-O 2.91Å; F157-W204 PolarHBondContact O-N 3.48Å; E202-W204 VanDerWaalsContact CB-NE1 3.31Å; E202-W204 PolarHBondContact OE2-NE1 3.27Å; W204-N212 HydrophobicContact CE3-CB 4.19Å; W204-D213 WeakPolarHBondContact CA-O 3.43Å; W204-F214 HydrophobicContact CD2-CD2 4Å; W204-F214 AromaticContact CE2-CD2 3.75Å; W204-F214 HydrophobicContact CE3-CB 4.06Å; W204-F214 HydrophobicContact CE3-CD2 4.08Å; W204-F214 HydrophobicContact CH2-CB 4.16Å; W204-F214 AromaticContact CH2-CD2 3.67Å; W204-F214 HydrophobicContact CH2-CD2 3.67Å; W204-F214 HydrophobicContact CH2-CG 4.32Å; W204-F214 AromaticContact CZ2-CD2 3.59Å; W204-F214 HydrophobicContact CZ2-CD2 3.59Å; W204-F214 HydrophobicContact CZ2-CE2 4.11Å; W204-F214 HydrophobicContact CZ3-CB 3.72Å; W204-F214 AromaticContact CZ3-CD2 3.92Å; W204-F214 HydrophobicContact CZ3-CD2 3.92Å; W204-F214 HydrophobicContact CZ3-CG 4.31Å |
| 205 | D | 93.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 125.9 | 168.3 | -158.9 | -13.8 | 0 | 0 | 0 | 109.6 | R148 S154 D155 N212 D213 L215 | R148-D205 HydrophobicContact CB-CB 4.33Å; R148-D205 WeakPolarHBondContact CB-OD2 3.4Å; R148-D205 HydrophobicContact CG-CB 4.06Å; S154-D205 WeakPolarHBondContact CA-OD2 3.47Å; S154-D205 WeakPolarHBondContact CB-OD2 3.42Å; S154-D205 PolarHBondContact OG-OD2 2.86Å; D155-D205 VanDerWaalsContact CA-OD1 3.31Å; D155-D205 WeakPolarHBondContact CA-OD1 3.36Å; D155-D205 WeakPolarHBondContact CB-OD1 3.24Å; D155-D205 PolarHBondContact N-OD1 3.38Å; D205-N212 VanDerWaalsContact O-CA 3.23Å; D205-N212 WeakPolarHBondContact O-CA 3.43Å; D205-N212 WeakPolarHBondContact O-CB 3.47Å; D205-D213 HydrophobicContact CB-CB 4.09Å; D205-D213 PolarHBondContact N-O 3.33Å; D205-D213 PolarHBondContact O-N 3.27Å; D205-L215 HydrophobicContact CB-CD1 3.92Å; D205-L215 HydrophobicContact CB-CD2 4.27Å; D205-L215 HydrophobicContact CB-CG 4.03Å |
| 206 | W | 93.8 | Very high | 88.5 | Confident | 73 Ų | 73 | 50.8 Ų | 50.8 | 28% | 0.277 | 28% | 0.275 | S | S | . | . | trans | -82.3 | 120 | 178.4 | 178.7 | 83.2 | 0 | 0 | 0 | 111.2 | D155 F157 I171 M208 | D155-W206 HydrophobicContact CB-CB 4.27Å; D155-W206 WeakPolarHBondContact O-CB 3.47Å; D155-W206 PolarHBondContact O-N 3.34Å; F157-W206 HydrophobicContact CD1-CB 4.07Å; F157-W206 HydrophobicContact CE1-CB 4.21Å; I171-W206 HydrophobicContact CD1-CB 3.97Å; I171-W206 VanDerWaalsContact CD1-CD1 3.49Å; I171-W206 HydrophobicContact CD1-CD2 4.06Å; I171-W206 HydrophobicContact CD1-CG 3.54Å; I171-W206 HydrophobicContact CG1-CB 4.09Å; I171-W206 HydrophobicContact CG1-CG 4.21Å; I171-W206 HydrophobicContact CG2-CB 3.86Å; I171-W206 HydrophobicContact CG2-CG 4.3Å; W206-M208 HydrophobicContact CH2-CB 3.56Å; W206-M208 HydrophobicContact CH2-CG 3.85Å; W206-M208 HydrophobicContact CZ2-CB 4.35Å; W206-M208 HydrophobicContact CZ3-CB 3.82Å | ||
| 207 | D | 88.3 | Confident | 89.5 | Confident | 42 Ų | 42 | 42.1 Ų | 42.1 | 23% | 0.225 | 23% | 0.234 | C | C | . | . | trans | -105.1 | 130.5 | 175.1 | -78 | -65.8 | 0 | 0 | 0 | 112 | V209 N212 | D207-V209 PolarHBondContact O-N 3.49Å; D207-N212 PolarHBondContact N-OD1 2.98Å; D207-N212 VanDerWaalsContact N-OD1 3.1Å | ||
| 208 | M | 82.4 | Confident | 90.2 | Very high | 154 Ų | 154 | 41.7 Ų | 41.7 | 76% | 0.759 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -65.9 | -29.7 | 175.2 | -171.3 | 175 | 67.4 | 0 | 0 | 112.2 | W206 | W206-M208 HydrophobicContact CH2-CB 3.56Å; W206-M208 HydrophobicContact CH2-CG 3.85Å; W206-M208 HydrophobicContact CZ2-CB 4.35Å; W206-M208 HydrophobicContact CZ3-CB 3.82Å |
| 209 | V | 78.8 | Confident | 90.3 | Very high | 125 Ų | 125 | 43.4 Ų | 43.4 | 76% | 0.758 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -135 | 112.1 | -179 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | D207 | D207-V209 PolarHBondContact O-N 3.49Š|
| 210 | G | 79.6 | Confident | 90.2 | Very high | 70 Ų | 70 | 43.7 Ų | 43.7 | 72% | 0.722 | 23% | 0.233 | S | C | * | . | S | Bend | trans | 122.3 | -161.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 211 | K | 86 | Confident | 90 | Very high | 147 Ų | 147 | 46 Ų | 46 | 64% | 0.639 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -91.1 | 139.2 | 169.5 | -177.3 | -166.3 | 170.2 | -157.2 | 0 | 106.9 | ||
| 212 | N | 88.8 | Confident | 89.6 | Confident | 40 Ų | 40 | 46 Ų | 46 | 21% | 0.214 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -57.2 | 134.9 | 171.4 | -68.9 | -6.9 | 0 | 0 | 0 | 111.1 | F157 W204 D205 D207 | F157-N212 WeakPolarHBondContact CE1-ND2 3.26Å; F157-N212 WeakPolarHBondContact CZ-ND2 3.24Å; W204-N212 HydrophobicContact CE3-CB 4.19Å; D205-N212 VanDerWaalsContact O-CA 3.23Å; D205-N212 WeakPolarHBondContact O-CA 3.43Å; D205-N212 WeakPolarHBondContact O-CB 3.47Å; D207-N212 PolarHBondContact N-OD1 2.98Å; D207-N212 VanDerWaalsContact N-OD1 3.1Å |
| 213 | D | 88.4 | Confident | 89 | Confident | 52 Ų | 52 | 47.7 Ų | 47.7 | 28% | 0.278 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 139.2 | 177.5 | -71.9 | -27.5 | 0 | 0 | 0 | 111.5 | R148 W204 D205 | R148-D213 HydrophobicContact CB-CB 4.16Å; R148-D213 WeakPolarHBondContact CB-OD2 3.27Å; R148-D213 HydrophobicContact CG-CB 3.76Å; W204-D213 WeakPolarHBondContact CA-O 3.43Å; D205-D213 HydrophobicContact CB-CB 4.09Å; D205-D213 PolarHBondContact N-O 3.33Å; D205-D213 PolarHBondContact O-N 3.27Å |
| 214 | F | 90.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 130.4 | -179.9 | -175.1 | -111.5 | 0 | 0 | 0 | 110.8 | D113 V116 R148 E202 W204 G216 K217 L240 | D113-F214 HydrophobicContact CB-CB 4.4Å; D113-F214 PolarHBondContact OD1-N 2.85Å; V116-F214 HydrophobicContact CG2-CD1 3.96Å; V116-F214 HydrophobicContact CG2-CE1 3.92Å; R148-F214 PolarHBondContact NE-O 3.45Å; R148-F214 PolarHBondContact NH2-O 3.32Å; E202-F214 HydrophobicContact CB-CE2 4.31Å; E202-F214 HydrophobicContact CG-CE2 4.47Å; W204-F214 HydrophobicContact CD2-CD2 4Å; W204-F214 AromaticContact CE2-CD2 3.75Å; W204-F214 HydrophobicContact CE3-CB 4.06Å; W204-F214 HydrophobicContact CE3-CD2 4.08Å; W204-F214 HydrophobicContact CH2-CB 4.16Å; W204-F214 AromaticContact CH2-CD2 3.67Å; W204-F214 HydrophobicContact CH2-CD2 3.67Å; W204-F214 HydrophobicContact CH2-CG 4.32Å; W204-F214 AromaticContact CZ2-CD2 3.59Å; W204-F214 HydrophobicContact CZ2-CD2 3.59Å; W204-F214 HydrophobicContact CZ2-CE2 4.11Å; W204-F214 HydrophobicContact CZ3-CB 3.72Å; W204-F214 AromaticContact CZ3-CD2 3.92Å; W204-F214 HydrophobicContact CZ3-CD2 3.92Å; W204-F214 HydrophobicContact CZ3-CG 4.31Å; F214-G216 VanDerWaalsContact CZ-CA 3.41Å; F214-G216 WeakPolarHBondContact CZ-O 3.32Å; F214-K217 HydrophobicContact CE2-CB 4.35Å; F214-K217 HydrophobicContact CZ-CB 3.79Å; F214-K217 HydrophobicContact CZ-CG 3.99Å; F214-L240 HydrophobicContact CD1-CD1 4.11Å; F214-L240 HydrophobicContact CD1-CG 4.03Å; F214-L240 HydrophobicContact CD2-CD1 4.32Å; F214-L240 HydrophobicContact CD2-CG 4.43Å; F214-L240 HydrophobicContact CE1-CD1 4.26Å; F214-L240 HydrophobicContact CE1-CD2 4.41Å; F214-L240 HydrophobicContact CE1-CG 3.67Å; F214-L240 HydrophobicContact CE2-CD1 4.46Å; F214-L240 HydrophobicContact CE2-CD2 4.09Å; F214-L240 HydrophobicContact CE2-CG 4.1Å; F214-L240 HydrophobicContact CG-CD1 4.12Å; F214-L240 HydrophobicContact CG-CG 4.38Å; F214-L240 HydrophobicContact CZ-CD1 4.41Å; F214-L240 HydrophobicContact CZ-CD2 3.91Å; F214-L240 HydrophobicContact CZ-CG 3.69Å |
| 215 | L | 89.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -15.3 | 177.9 | -65.8 | 176.2 | 0 | 0 | 0 | 113.1 | V116 L145 A146 R148 P156 V203 D205 | V116-L215 WeakPolarHBondContact CG1-O 3.44Å; L145-L215 HydrophobicContact CD1-CD1 4.2Å; A146-L215 HydrophobicContact CB-CD2 4.2Å; A146-L215 WeakPolarHBondContact O-CD2 2.92Å; R148-L215 HydrophobicContact CG-CD2 3.58Å; P156-L215 HydrophobicContact CB-CD1 3.9Å; V203-L215 HydrophobicContact CB-CB 4.11Å; V203-L215 HydrophobicContact CG1-CB 3.98Å; V203-L215 HydrophobicContact CG1-CD1 4.09Å; V203-L215 WeakPolarHBondContact O-CA 3.43Å; V203-L215 WeakPolarHBondContact O-CB 3.36Å; V203-L215 PolarHBondContact O-N 2.65Å; D205-L215 HydrophobicContact CB-CD1 3.92Å; D205-L215 HydrophobicContact CB-CD2 4.27Å; D205-L215 HydrophobicContact CB-CG 4.03Å |
| 216 | G | 91.3 | Very high | 87 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.9 | 168 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114 | E202 V203 F214 L238 | E202-G216 CarbonylContact C-O 3.41Å; E202-G216 WeakPolarHBondContact CA-O 3.43Å; V203-G216 PolarHBondContact N-O 3.01Å; V203-G216 PolarHBondContact O-N 3.29Å; F214-G216 VanDerWaalsContact CZ-CA 3.41Å; F214-G216 WeakPolarHBondContact CZ-O 3.32Å; G216-L238 CarbonylContact C-O 3.58Å; G216-L238 WeakPolarHBondContact CA-O 3.46Å |
| 217 | K | 93.1 | Very high | 86.1 | Confident | 26 Ų | 26 | 58 Ų | 58 | 11% | 0.113 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 160.6 | 173.9 | 66.3 | 175.9 | 178.9 | 179.6 | 0 | 113.3 | V200 V201 E202 F214 E219 L238 P239 L240 | V200-K217 HydrophobicContact CG1-CB 4.25Å; V200-K217 HydrophobicContact CG1-CD 4.24Å; V201-K217 CarbonylContact O-C 3.48Å; V201-K217 WeakPolarHBondContact O-CA 3.31Å; E202-K217 HydrophobicContact CG-CB 4.25Å; F214-K217 HydrophobicContact CE2-CB 4.35Å; F214-K217 HydrophobicContact CZ-CB 3.79Å; F214-K217 HydrophobicContact CZ-CG 3.99Å; K217-E219 HydrophobicContact CD-CG 4.22Å; K217-E219 VanDerWaalsContact CE-OE1 3.22Å; K217-E219 WeakPolarHBondContact CE-OE1 3.49Å; K217-E219 IonicContact NZ-OE1 2.79Å; K217-E219 PolarHBondContact NZ-OE1 2.79Å; K217-L238 PolarHBondContact N-O 3.44Å; K217-L238 PolarHBondContact O-N 3.04Å; K217-P239 WeakPolarHBondContact CE-O 3.42Å; K217-L240 HydrophobicContact CD-CD2 4.31Å; K217-L240 PolarHBondContact NZ-O 2.78Å |
| 218 | V | 93.2 | Very high | 85.3 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 135.3 | 166.6 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | I120 V200 V201 I220 F235 L237 | I120-V218 HydrophobicContact CG2-CG2 3.51Å; V200-V218 WeakPolarHBondContact CA-O 3.27Å; V201-V218 PolarHBondContact N-O 3.02Å; V201-V218 PolarHBondContact O-N 3.35Å; V218-I220 HydrophobicContact CG1-CD1 4.18Å; V218-I220 HydrophobicContact CG1-CG1 3.81Å; V218-F235 HydrophobicContact CB-CB 4.29Å; V218-F235 HydrophobicContact CG1-CB 3.64Å; V218-F235 HydrophobicContact CG1-CD1 3.85Å; V218-F235 HydrophobicContact CG1-CG 3.88Å; V218-F235 HydrophobicContact CG2-CB 3.65Å; V218-L237 HydrophobicContact CG2-CD2 4.12Å |
| 219 | E | 91.9 | Very high | 84.8 | Confident | 98 Ų | 98 | 56.3 Ų | 56.3 | 46% | 0.458 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 115.1 | 177 | -72.3 | -175.9 | 166.5 | 0 | 0 | 109 | T198 V200 K217 | T198-E219 HydrophobicContact CG2-CB 3.65Å; T198-E219 HydrophobicContact CG2-CG 4.11Å; V200-E219 HydrophobicContact CG1-CG 4.46Å; V200-E219 HydrophobicContact CG2-CG 4.27Å; K217-E219 HydrophobicContact CD-CG 4.22Å; K217-E219 VanDerWaalsContact CE-OE1 3.22Å; K217-E219 WeakPolarHBondContact CE-OE1 3.49Å; K217-E219 IonicContact NZ-OE1 2.79Å; K217-E219 PolarHBondContact NZ-OE1 2.79Å |
| 220 | I | 90.4 | Very high | 85.1 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 114.9 | -177.6 | -56.6 | 178.7 | 0 | 0 | 0 | 108.3 | L124 T198 V199 V218 F222 L231 F235 | L124-I220 HydrophobicContact CD1-CD1 3.54Å; L124-I220 HydrophobicContact CD2-CD1 4.05Å; L124-I220 HydrophobicContact CG-CD1 4.47Å; T198-I220 WeakPolarHBondContact CA-O 3.41Å; V199-I220 HydrophobicContact CB-CB 4.45Å; V199-I220 PolarHBondContact N-O 2.97Å; V199-I220 PolarHBondContact O-N 2.92Å; V218-I220 HydrophobicContact CG1-CD1 4.18Å; V218-I220 HydrophobicContact CG1-CG1 3.81Å; I220-F222 PolarHBondContact O-N 3.5Å; I220-L231 HydrophobicContact CD1-CD2 4.24Å; I220-L231 HydrophobicContact CG2-CD2 3.59Å; I220-F235 HydrophobicContact CD1-CD1 4.32Å; I220-F235 HydrophobicContact CD1-CE1 3.93Å; I220-F235 HydrophobicContact CD1-CE2 4.48Å; I220-F235 HydrophobicContact CD1-CZ 4.02Å; I220-F235 HydrophobicContact CG1-CE1 4.37Å |
| 221 | P | 89.8 | Confident | 85.5 | Confident | 73 Ų | 73 | 51.7 Ų | 51.7 | 47% | 0.474 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 125.7 | 175.6 | -23.2 | 32.9 | 0 | 0 | 0 | 110.4 | A223 S224 | P221-A223 PolarHBondContact O-N 3.24Å; P221-S224 WeakPolarHBondContact O-CB 3.28Å; P221-S224 PolarHBondContact O-N 3.44Å; P221-S224 PolarHBondContact O-OG 3.44Å |
| 222 | F | 86.6 | Confident | 85.8 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -33.5 | -176.1 | -174 | -110.6 | 0 | 0 | 0 | 112.3 | L126 F162 L188 G197 V199 I220 S224 L225 H226 | L126-F222 HydrophobicContact CD1-CE2 4.29Å; L126-F222 HydrophobicContact CD1-CZ 4.1Å; L126-F222 HydrophobicContact CD2-CZ 4.23Å; F162-F222 HydrophobicContact CD2-CD2 4.32Å; F162-F222 HydrophobicContact CE1-CD2 4.31Å; F162-F222 HydrophobicContact CE1-CE2 4.16Å; F162-F222 HydrophobicContact CE1-CZ 4.45Å; F162-F222 HydrophobicContact CE2-CB 3.85Å; F162-F222 HydrophobicContact CE2-CD1 4.46Å; F162-F222 AromaticContact CE2-CD2 3.6Å; F162-F222 HydrophobicContact CE2-CD2 3.6Å; F162-F222 HydrophobicContact CE2-CE2 4.26Å; F162-F222 AromaticContact CE2-CG 3.73Å; F162-F222 HydrophobicContact CE2-CG 3.73Å; F162-F222 HydrophobicContact CZ-CB 4.28Å; F162-F222 HydrophobicContact CZ-CD1 4.04Å; F162-F222 AromaticContact CZ-CD2 3.6Å; F162-F222 HydrophobicContact CZ-CD2 3.6Å; F162-F222 HydrophobicContact CZ-CE1 4.25Å; F162-F222 AromaticContact CZ-CE2 3.84Å; F162-F222 HydrophobicContact CZ-CE2 3.84Å; F162-F222 AromaticContact CZ-CG 3.71Å; F162-F222 HydrophobicContact CZ-CG 3.71Å; F162-F222 HydrophobicContact CZ-CZ 4.16Å; L188-F222 HydrophobicContact CD1-CE2 4.27Å; L188-F222 HydrophobicContact CD1-CZ 4.18Å; G197-F222 WeakPolarHBondContact O-CB 3.3Å; G197-F222 PolarHBondContact O-N 3.09Å; V199-F222 HydrophobicContact CG2-CD2 3.95Å; I220-F222 PolarHBondContact O-N 3.5Å; F222-S224 PolarHBondContact O-N 2.93Å; F222-L225 HydrophobicContact CD2-CD1 4.04Å; F222-L225 HydrophobicContact CE2-CD1 4.26Å; F222-L225 WeakPolarHBondContact O-CB 3.45Å; F222-L225 PolarHBondContact O-N 3.47Å; F222-H226 AromaticContact CD1-NE2 3.55Å; F222-H226 AromaticContact CE1-NE2 3.17Å; F222-H226 WeakPolarHBondContact CE1-NE2 3.43Å; F222-H226 AromaticContact CZ-NE2 3.97Å |
| 223 | A | 83.3 | Confident | 85.9 | Confident | 59 Ų | 59 | 49.7 Ų | 49.7 | 49% | 0.488 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -52.2 | -26 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P221 L225 H226 | P221-A223 PolarHBondContact O-N 3.24Å; A223-L225 VanDerWaalsContact C-N 3.34Å; A223-H226 PolarHBondContact O-N 3.03Å |
| 224 | S | 83.1 | Confident | 86.1 | Confident | 39 Ų | 39 | 50.4 Ų | 50.4 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.7 | -34.4 | 178.1 | -46.8 | 0 | 0 | 0 | 0 | 112 | P221 F222 H226 K227 T228 | P221-S224 WeakPolarHBondContact O-CB 3.28Å; P221-S224 PolarHBondContact O-N 3.44Å; P221-S224 PolarHBondContact O-OG 3.44Å; F222-S224 PolarHBondContact O-N 2.93Å; S224-H226 VanDerWaalsContact C-N 3.25Å; S224-H226 PolarHBondContact O-N 3.49Å; S224-K227 PolarHBondContact O-N 3.32Å; S224-T228 PolarHBondContact O-N 2.97Å |
| 225 | L | 80.9 | Confident | 86 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.7 | -17.5 | 179.5 | -58.1 | 177.7 | 0 | 0 | 0 | 112.6 | L124 L135 V199 F222 A223 T228 L231 | L124-L225 HydrophobicContact CB-CD2 3.74Å; L135-L225 HydrophobicContact CD1-CD1 3.5Å; V199-L225 HydrophobicContact CG2-CD1 4.19Å; F222-L225 HydrophobicContact CD2-CD1 4.04Å; F222-L225 HydrophobicContact CE2-CD1 4.26Å; F222-L225 WeakPolarHBondContact O-CB 3.45Å; F222-L225 PolarHBondContact O-N 3.47Å; A223-L225 VanDerWaalsContact C-N 3.34Å; L225-T228 VanDerWaalsContact O-O 3.09Å; L225-L231 HydrophobicContact CD2-CB 3.83Å; L225-L231 HydrophobicContact CD2-CD2 4.17Å |
| 226 | H | 77.7 | Confident | 85.9 | Confident | 88 Ų | 88 | 55.5 Ų | 55.5 | 41% | 0.407 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -78.9 | -25.7 | 171.4 | -69.5 | -84.3 | 0 | 0 | 0 | 113 | L193 F222 A223 S224 | L193-H226 PolarHBondContact O-CE1 3.35Å; F222-H226 AromaticContact CD1-NE2 3.55Å; F222-H226 AromaticContact CE1-NE2 3.17Å; F222-H226 WeakPolarHBondContact CE1-NE2 3.43Å; F222-H226 AromaticContact CZ-NE2 3.97Å; A223-H226 PolarHBondContact O-N 3.03Å; S224-H226 VanDerWaalsContact C-N 3.25Å; S224-H226 PolarHBondContact O-N 3.49Å |
| 227 | K | 74.4 | Confident | 85.8 | Confident | 180 Ų | 180 | 55.7 Ų | 55.7 | 78% | 0.783 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -87.4 | -34.7 | -178.3 | -66.2 | 178.6 | -177.9 | 175.8 | 0 | 112 | S224 | S224-K227 PolarHBondContact O-N 3.32Å |
| 228 | T | 70.9 | Confident | 85.5 | Confident | 58 Ų | 58 | 58.4 Ų | 58.4 | 36% | 0.356 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -123 | 119.7 | -178.5 | -45 | 0 | 0 | 0 | 0 | 108.6 | S224 L225 V230 | S224-T228 PolarHBondContact O-N 2.97Å; L225-T228 VanDerWaalsContact O-O 3.09Å; T228-V230 WeakPolarHBondContact CG2-O 3.43Å; T228-V230 PolarHBondContact O-N 3.07Å |
| 229 | P | 72.4 | Confident | 85.1 | Confident | 104 Ų | 104 | 60.6 Ų | 60.6 | 68% | 0.675 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -61.7 | -30.9 | -174.5 | 22.2 | -32 | 0 | 0 | 0 | 113.2 | ||
| 230 | V | 84.6 | Confident | 84.4 | Confident | 57 Ų | 57 | 59.7 Ų | 59.7 | 35% | 0.345 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 126.1 | 172.6 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | S123 L124 E125 T228 | S123-V230 WeakPolarHBondContact OG-CG1 3.25Å; L124-V230 CarbonylContact O-C 3.57Å; L124-V230 WeakPolarHBondContact O-CA 3.26Å; E125-V230 HydrophobicContact CB-CG2 4.24Å; E125-V230 HydrophobicContact CG-CG2 4.04Å; T228-V230 WeakPolarHBondContact CG2-O 3.43Å; T228-V230 PolarHBondContact O-N 3.07Å |
| 231 | L | 88.6 | Confident | 83.2 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 104.7 | 174.9 | 179.9 | 70.3 | 0 | 0 | 0 | 109.1 | S123 L124 I220 L225 F235 | S123-L231 CarbonylContact C-O 3.55Å; S123-L231 WeakPolarHBondContact CA-O 3.4Å; L124-L231 PolarHBondContact N-O 3.35Å; L124-L231 PolarHBondContact O-N 3.42Å; I220-L231 HydrophobicContact CD1-CD2 4.24Å; I220-L231 HydrophobicContact CG2-CD2 3.59Å; L225-L231 HydrophobicContact CD2-CB 3.83Å; L225-L231 HydrophobicContact CD2-CD2 4.17Å; L231-F235 HydrophobicContact CD2-CE1 4.44Å; L231-F235 HydrophobicContact CD2-CZ 4.1Å; L231-F235 HydrophobicContact CG-CZ 4.08Å |
| 232 | E | 92.6 | Very high | 81.4 | Confident | 122 Ų | 122 | 63.9 Ų | 63.9 | 57% | 0.57 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 135 | -179.3 | -176 | 176.3 | 154.9 | 0 | 0 | 111.3 | H121 L122 | H121-E232 IonicContact NE2-OE1 2.85Å; L122-E232 WeakPolarHBondContact O-CA 3.36Å |
| 233 | G | 91.4 | Very high | 79.4 | Confident | 22 Ų | 22 | 71.6 Ų | 71.6 | 23% | 0.227 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.9 | 178.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | H121 L122 F235 | H121-G233 PolarHBondContact CD2-O 3.26Å; L122-G233 PolarHBondContact N-O 2.91Å; L122-G233 PolarHBondContact O-N 2.96Å; G233-F235 WeakPolarHBondContact O-CD2 3.47Å; G233-F235 WeakPolarHBondContact O-CE2 3.24Å |
| 234 | W | 90.8 | Very high | 77.6 | Confident | 67 Ų | 67 | 75.9 Ų | 75.9 | 25% | 0.254 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 125.7 | 172.2 | -73.5 | 89.4 | 0 | 0 | 0 | 110.3 | E119 H121 E141 R143 | E119-W234 HydrophobicContact CB-CE3 3.8Å; E119-W234 HydrophobicContact CB-CZ3 4.37Å; H121-W234 HydrophobicContact CB-CD2 3.81Å; H121-W234 HydrophobicContact CB-CE3 3.83Å; H121-W234 HydrophobicContact CB-CH2 3.92Å; H121-W234 HydrophobicContact CB-CZ2 3.87Å; H121-W234 HydrophobicContact CB-CZ3 3.87Å; H121-W234 AromaticContact CG-CE2 3.88Å; H121-W234 AromaticContact CG-NE1 3.98Å; E141-W234 HydrophobicContact CG-CH2 3.57Å; E141-W234 HydrophobicContact CG-CZ2 3.93Å; E141-W234 HydrophobicContact CG-CZ3 4.41Å; E141-W234 VanDerWaalsContact OE1-CZ2 3.29Å; E141-W234 WeakPolarHBondContact OE1-CZ2 3.02Å; R143-W234 HydrophobicContact CB-CH2 4.46Å; R143-W234 HydrophobicContact CB-CZ3 4.38Å; R143-W234 HydrophobicContact CG-CE3 4.46Å; R143-W234 HydrophobicContact CG-CH2 4.09Å; R143-W234 HydrophobicContact CG-CZ3 3.73Å; R143-W234 VanDerWaalsContact NH1-CZ2 3.33Å |
| 235 | F | 89.6 | Confident | 75.7 | Confident | 43 Ų | 43 | 79.1 Ų | 79.1 | 19% | 0.189 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.9 | 178.4 | -61.2 | -90.1 | 0 | 0 | 0 | 109.8 | E119 I120 L122 V218 I220 L231 G233 | E119-F235 CarbonylContact C-O 3.51Å; E119-F235 VanDerWaalsContact CA-O 3.23Å; E119-F235 WeakPolarHBondContact CA-O 3.39Å; E119-F235 WeakPolarHBondContact CB-O 3.39Å; I120-F235 HydrophobicContact CG2-CB 4.2Å; I120-F235 PolarHBondContact N-O 2.98Å; I120-F235 PolarHBondContact O-N 2.64Å; L122-F235 HydrophobicContact CB-CD2 3.89Å; L122-F235 HydrophobicContact CB-CE2 3.84Å; L122-F235 HydrophobicContact CD1-CD2 3.91Å; L122-F235 HydrophobicContact CD1-CE2 4.43Å; L122-F235 HydrophobicContact CD1-CG 4.46Å; L122-F235 HydrophobicContact CG-CD2 4.06Å; L122-F235 HydrophobicContact CG-CE2 4.5Å; V218-F235 HydrophobicContact CB-CB 4.29Å; V218-F235 HydrophobicContact CG1-CB 3.64Å; V218-F235 HydrophobicContact CG1-CD1 3.85Å; V218-F235 HydrophobicContact CG1-CG 3.88Å; V218-F235 HydrophobicContact CG2-CB 3.65Å; I220-F235 HydrophobicContact CD1-CD1 4.32Å; I220-F235 HydrophobicContact CD1-CE1 3.93Å; I220-F235 HydrophobicContact CD1-CE2 4.48Å; I220-F235 HydrophobicContact CD1-CZ 4.02Å; I220-F235 HydrophobicContact CG1-CE1 4.37Å; L231-F235 HydrophobicContact CD2-CE1 4.44Å; L231-F235 HydrophobicContact CD2-CZ 4.1Å; L231-F235 HydrophobicContact CG-CZ 4.08Å; G233-F235 WeakPolarHBondContact O-CD2 3.47Å; G233-F235 WeakPolarHBondContact O-CE2 3.24Å |
| 236 | R | 87.4 | Confident | 74 | Confident | 64 Ų | 64 | 84.7 Ų | 84.7 | 24% | 0.242 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 136.6 | 175.5 | -177.3 | 174.9 | 178.1 | 163 | -0.4 | 110.4 | D35 H66 | D35-R236 VanDerWaalsContact CG-NH2 3.35Å; D35-R236 IonicContact OD1-CZ 3.97Å; D35-R236 IonicContact OD1-NH1 3.93Å; D35-R236 PolarHBondContact OD1-NH1 3.28Å; D35-R236 IonicContact OD1-NH2 2.71Å; D35-R236 PolarHBondContact OD1-NH2 3.45Å; D35-R236 IonicContact OD2-NH1 3.57Å; D35-R236 PolarHBondContact OD2-NH1 3.25Å; H66-R236 PolarHBondContact CE1-NH1 3.31Å; H66-R236 VanDerWaalsContact CE1-NH1 3.35Å; H66-R236 PolarHBondContact ND1-NH1 3.42Å |
| 237 | L | 89.6 | Confident | 72.7 | Confident | 4 Ų | 4 | 85.4 Ų | 85.4 | 2% | 0.021 | 49% | 0.487 | C | S | . | . | trans | -75.9 | 134.4 | 173.7 | -67.8 | 171.5 | 0 | 0 | 0 | 110.8 | V116 G118 I120 L145 V203 V218 | V116-L237 VanDerWaalsContact CG1-C 3.49Å; V116-L237 HydrophobicContact CG1-CB 3.57Å; V116-L237 WeakPolarHBondContact CG1-O 3.43Å; G118-L237 PolarHBondContact O-N 3.43Å; G118-L237 VanDerWaalsContact O-N 3.11Å; I120-L237 HydrophobicContact CB-CD2 4.26Å; I120-L237 HydrophobicContact CG2-CD2 3.85Å; I120-L237 HydrophobicContact CG2-CG 4.44Å; L145-L237 HydrophobicContact CD2-CD1 3.32Å; V203-L237 HydrophobicContact CB-CD2 4.43Å; V203-L237 HydrophobicContact CG2-CD1 4.38Å; V203-L237 HydrophobicContact CG2-CD2 3.71Å; V218-L237 HydrophobicContact CG2-CD2 4.12Å | ||
| 238 | L | 86.6 | Confident | 71.4 | Confident | 84 Ų | 84 | 80.3 Ų | 80.3 | 44% | 0.44 | 47% | 0.474 | S | S | . | . | B | Isolated β-bridge | trans | -115.5 | 150.4 | -179.3 | -60.4 | 177.7 | 0 | 0 | 0 | 111.1 | G216 K217 | G216-L238 CarbonylContact C-O 3.58Å; G216-L238 WeakPolarHBondContact CA-O 3.46Å; K217-L238 PolarHBondContact N-O 3.44Å; K217-L238 PolarHBondContact O-N 3.04Å |
| 239 | P | 84.4 | Confident | 70.7 | Confident | 53 Ų | 53 | 79.3 Ų | 79.3 | 34% | 0.344 | 48% | 0.475 | S | S | . | . | trans | -66.1 | 166.3 | 170 | 30.3 | -35 | 0 | 0 | 0 | 111.4 | V116 K217 G241 | V116-P239 HydrophobicContact CG2-CB 4.18Å; K217-P239 WeakPolarHBondContact CE-O 3.42Å; P239-G241 PolarHBondContact O-N 3.13Å; P239-G241 VanDerWaalsContact O-N 3.09Å | ||
| 240 | L | 77.7 | Confident | 70.9 | Confident | 80 Ų | 80 | 84.3 Ų | 84.3 | 42% | 0.419 | 49% | 0.486 | S | S | . | . | trans | -59.3 | -22.9 | -179.7 | -78.5 | 160.7 | 0 | 0 | 0 | 113.6 | F214 K217 | F214-L240 HydrophobicContact CD1-CD1 4.11Å; F214-L240 HydrophobicContact CD1-CG 4.03Å; F214-L240 HydrophobicContact CD2-CD1 4.32Å; F214-L240 HydrophobicContact CD2-CG 4.43Å; F214-L240 HydrophobicContact CE1-CD1 4.26Å; F214-L240 HydrophobicContact CE1-CD2 4.41Å; F214-L240 HydrophobicContact CE1-CG 3.67Å; F214-L240 HydrophobicContact CE2-CD1 4.46Å; F214-L240 HydrophobicContact CE2-CD2 4.09Å; F214-L240 HydrophobicContact CE2-CG 4.1Å; F214-L240 HydrophobicContact CG-CD1 4.12Å; F214-L240 HydrophobicContact CG-CG 4.38Å; F214-L240 HydrophobicContact CZ-CD1 4.41Å; F214-L240 HydrophobicContact CZ-CD2 3.91Å; F214-L240 HydrophobicContact CZ-CG 3.69Å; K217-L240 HydrophobicContact CD-CD2 4.31Å; K217-L240 PolarHBondContact NZ-O 2.78Å | ||
| 241 | G | 63.6 | Low | 71 | Confident | 58 Ų | 58 | 82.8 Ų | 82.8 | 60% | 0.598 | 48% | 0.476 | S | S | * | . | trans | 80.3 | 128.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | P239 | P239-G241 PolarHBondContact O-N 3.13Å; P239-G241 VanDerWaalsContact O-N 3.09Å | ||
| 242 | N | 52.8 | Low | 71.1 | Confident | 110 Ų | 110 | 81.5 Ų | 81.5 | 59% | 0.588 | 47% | 0.472 | S | S | * | . | trans | -100.4 | 118.4 | -174.4 | -126.2 | -15.5 | 0 | 0 | 0 | 111.7 | E114 | E114-N242 PolarHBondContact OE1-ND2 3.49Š| ||
| 243 | N | 44.7 | Very low | 71.2 | Confident | 163 Ų | 163 | 75.8 Ų | 75.8 | 87% | 0.872 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -94.1 | 76.9 | 152.2 | -90.2 | -21.3 | 0 | 0 | 0 | 106.7 | ||
| 244 | E | 45 | Very low | 71.4 | Confident | 150 Ų | 150 | 74.7 Ų | 74.7 | 70% | 0.701 | 44% | 0.435 | S | S | * | . | trans | 167.9 | 103.5 | 150.7 | -94 | 167.5 | -162.1 | 0 | 0 | 108.4 | D246 | E244-D246 PolarHBondContact O-N 3.08Š| ||
| 245 | A | 44.4 | Very low | 71.6 | Confident | 106 Ų | 106 | 75.1 Ų | 75.1 | 88% | 0.876 | 44% | 0.437 | S | S | * | . | trans | -66.9 | 85.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | A247 | A245-A247 PolarHBondContact O-N 2.73Š| ||
| 246 | D | 44.1 | Very low | 71.9 | Confident | 125 Ų | 125 | 73.1 Ų | 73.1 | 67% | 0.668 | 43% | 0.428 | S | S | * | . | trans | -74.2 | 86 | -177.3 | -145.5 | 19.1 | 0 | 0 | 0 | 109.4 | E244 S248 | E244-D246 PolarHBondContact O-N 3.08Å; D246-S248 VanDerWaalsContact C-N 3.32Å; D246-S248 PolarHBondContact O-N 2.89Å | ||
| 247 | A | 50.8 | Low | 72.2 | Confident | 102 Ų | 102 | 73.6 Ų | 73.6 | 84% | 0.843 | 43% | 0.432 | S | S | * | . | trans | -70.9 | 82.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | A245 | A245-A247 PolarHBondContact O-N 2.73Š| ||
| 248 | S | 46.9 | Very low | 72.3 | Confident | 73 Ų | 73 | 73.5 Ų | 73.5 | 51% | 0.51 | 43% | 0.431 | S | S | . | . | trans | -140.9 | 17.5 | 174.3 | 75.9 | 0 | 0 | 0 | 0 | 116.3 | D246 | D246-S248 VanDerWaalsContact C-N 3.32Å; D246-S248 PolarHBondContact O-N 2.89Å | ||
| 249 | G | 57 | Low | 72.4 | Confident | 37 Ų | 37 | 72.9 Ų | 72.9 | 38% | 0.381 | 42% | 0.423 | S | S | . | . | trans | -135.3 | 124.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L251 | G249-L251 PolarHBondContact O-N 3.07Š| ||
| 250 | K | 75.3 | Confident | 72.6 | Confident | 209 Ų | 209 | 71.8 Ų | 71.8 | 91% | 0.909 | 41% | 0.414 | S | S | * | . | trans | -74.4 | 77.6 | 163.7 | -71.9 | -178.5 | -178.9 | 176.9 | 0 | 108.8 | G252 | K250-G252 PolarHBondContact O-N 2.94Š| ||
| 251 | L | 88 | Confident | 72.9 | Confident | 26 Ų | 26 | 68.6 Ų | 68.6 | 14% | 0.136 | 40% | 0.398 | C | S | . | . | trans | -81.9 | -1.2 | 178.3 | -61.7 | 179.3 | 0 | 0 | 0 | 113.3 | P18 L107 T108 R109 G249 | P18-L251 VanDerWaalsContact CD-O 3.31Å; P18-L251 WeakPolarHBondContact CD-O 3.31Å; L107-L251 HydrophobicContact CB-CB 3.79Å; L107-L251 VanDerWaalsContact CD1-O 3.27Å; L107-L251 WeakPolarHBondContact CD1-O 3.36Å; T108-L251 VanDerWaalsContact C-CD1 3.47Å; R109-L251 HydrophobicContact CB-CD1 4.43Å; R109-L251 HydrophobicContact CG-CD1 3.77Å; G249-L251 PolarHBondContact O-N 3.07Å | ||
| 252 | G | 91.1 | Very high | 73.7 | Confident | 13 Ų | 13 | 69.6 Ų | 69.6 | 13% | 0.134 | 39% | 0.387 | C | S | . | . | trans | 85.4 | -167.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R15 N16 L107 K250 | R15-G252 CarbonylContact O-C 3.44Å; R15-G252 WeakPolarHBondContact O-CA 3.32Å; N16-G252 WeakPolarHBondContact O-CA 3.43Å; N16-G252 PolarHBondContact O-N 3.04Å; L107-G252 PolarHBondContact N-O 3.48Å; L107-G252 VanDerWaalsContact N-O 3.1Å; K250-G252 PolarHBondContact O-N 2.94Å | ||
| 253 | A | 94.1 | Very high | 74.9 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 2% | 0.017 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 153.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111 | G14 R15 W104 M105 | G14-A253 CarbonylContact C-O 3.56Å; G14-A253 WeakPolarHBondContact CA-O 3.24Å; R15-A253 HydrophobicContact CG-CB 4.14Å; R15-A253 PolarHBondContact N-O 2.59Å; R15-A253 PolarHBondContact O-N 3.46Å; W104-A253 HydrophobicContact CE3-CB 3.94Å; M105-A253 CarbonylContact O-C 3.53Å; M105-A253 WeakPolarHBondContact O-CA 3.43Å; M105-A253 VanDerWaalsContact O-CB 3.24Å; M105-A253 WeakPolarHBondContact O-CB 3.14Å |
| 254 | L | 95.3 | Very high | 76.8 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 141.8 | 168.9 | -62.3 | -173.7 | 0 | 0 | 0 | 110.1 | E13 W53 F70 V72 I87 W104 M105 L107 L256 | E13-L254 CarbonylContact O-C 3.54Å; E13-L254 WeakPolarHBondContact O-CA 3.36Å; W53-L254 HydrophobicContact CH2-CD2 3.8Å; W53-L254 HydrophobicContact CZ3-CD2 3.55Å; F70-L254 HydrophobicContact CB-CD1 4.25Å; V72-L254 HydrophobicContact CG2-CD1 3.64Å; V72-L254 HydrophobicContact CG2-CD2 3.9Å; V72-L254 HydrophobicContact CG2-CG 3.99Å; I87-L254 HydrophobicContact CD1-CB 3.78Å; I87-L254 HydrophobicContact CD1-CD1 3.93Å; I87-L254 HydrophobicContact CD1-CG 3.9Å; W104-L254 CarbonylContact C-O 3.58Å; W104-L254 WeakPolarHBondContact CA-O 3.28Å; M105-L254 PolarHBondContact N-O 3.36Å; M105-L254 PolarHBondContact O-N 2.92Å; L107-L254 HydrophobicContact CD2-CD1 4.36Å; L107-L254 HydrophobicContact CD2-CG 4.21Å; L254-L256 HydrophobicContact CB-CD1 4.47Å; L254-L256 HydrophobicContact CB-CD2 4.08Å; L254-L256 HydrophobicContact CB-CG 3.98Å; L254-L256 HydrophobicContact CD1-CD2 4.16Å |
| 255 | R | 96 | Very high | 78.7 | Confident | 76 Ų | 76 | 54.3 Ų | 54.3 | 29% | 0.287 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 113.3 | 162 | -174.2 | 179.2 | 179.6 | -178.5 | 2.5 | 108.6 | V12 E13 D102 S103 W104 | V12-R255 HydrophobicContact CB-CB 4.18Å; V12-R255 HydrophobicContact CB-CG 4.2Å; V12-R255 WeakPolarHBondContact CB-O 3.09Å; V12-R255 HydrophobicContact CG2-CG 4.28Å; V12-R255 PolarHBondContact N-O 2.62Å; E13-R255 HydrophobicContact CG-CB 3.9Å; E13-R255 PolarHBondContact O-N 3.19Å; E13-R255 IonicContact OE1-NH1 3.03Å; D102-R255 IonicContact OD1-CZ 3.32Å; D102-R255 IonicContact OD1-NE 3.96Å; D102-R255 PolarHBondContact OD1-NE 2.92Å; D102-R255 IonicContact OD1-NH2 2.84Å; D102-R255 PolarHBondContact OD1-NH2 3.31Å; D102-R255 IonicContact OD2-NH2 3.33Å; S103-R255 WeakPolarHBondContact O-CA 3.42Å; W104-R255 HydrophobicContact CD2-CB 3.86Å; W104-R255 HydrophobicContact CE3-CB 3.86Å; W104-R255 HydrophobicContact CH2-CB 4.02Å; W104-R255 HydrophobicContact CZ2-CB 4Å; W104-R255 HydrophobicContact CZ3-CB 3.92Å |
| 256 | L | 94.8 | Very high | 80.7 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 139.8 | -178.1 | -61.9 | 177.3 | 0 | 0 | 0 | 109.7 | I11 F70 I87 D102 S103 M105 L254 V258 | I11-L256 HydrophobicContact CB-CD2 4.35Å; I11-L256 HydrophobicContact CG1-CD2 4.05Å; I11-L256 HydrophobicContact CG2-CD2 4.25Å; F70-L256 HydrophobicContact CB-CD1 4.44Å; F70-L256 HydrophobicContact CD1-CD1 4.38Å; F70-L256 HydrophobicContact CD1-CD2 4.03Å; F70-L256 HydrophobicContact CD2-CD1 3.52Å; F70-L256 HydrophobicContact CE1-CD2 4.14Å; F70-L256 HydrophobicContact CE2-CD1 3.74Å; F70-L256 HydrophobicContact CG-CD1 3.86Å; F70-L256 HydrophobicContact CG-CD2 4.27Å; F70-L256 HydrophobicContact CZ-CD1 4.26Å; F70-L256 HydrophobicContact CZ-CD2 4.46Å; I87-L256 HydrophobicContact CD1-CD1 4.09Å; I87-L256 HydrophobicContact CG2-CD1 4.07Å; D102-L256 WeakPolarHBondContact CA-O 3.36Å; S103-L256 PolarHBondContact N-O 3.12Å; S103-L256 VanDerWaalsContact N-O 3.13Å; S103-L256 PolarHBondContact O-N 2.94Å; M105-L256 HydrophobicContact CE-CB 4.42Å; M105-L256 HydrophobicContact SD-CB 4.35Å; M105-L256 HydrophobicContact SD-CD1 3.86Å; L254-L256 HydrophobicContact CB-CD1 4.47Å; L254-L256 HydrophobicContact CB-CD2 4.08Å; L254-L256 HydrophobicContact CB-CG 3.98Å; L254-L256 HydrophobicContact CD1-CD2 4.16Å; L256-V258 HydrophobicContact CB-CG2 4.3Å |
| 257 | K | 93.9 | Very high | 82.7 | Confident | 75 Ų | 75 | 46 Ų | 46 | 33% | 0.326 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 126.9 | 161.5 | -48.4 | -164.9 | -175.8 | -150.7 | 0 | 108.7 | F9 R10 V12 L101 D102 | F9-K257 CarbonylContact C-O 3.52Å; F9-K257 WeakPolarHBondContact CA-O 3.32Å; F9-K257 WeakPolarHBondContact CB-O 3.47Å; R10-K257 HydrophobicContact CB-CB 4.03Å; R10-K257 HydrophobicContact CB-CG 4.36Å; R10-K257 PolarHBondContact N-O 3.47Å; R10-K257 PolarHBondContact O-N 3.45Å; V12-K257 HydrophobicContact CG2-CG 3.97Å; L101-K257 CarbonylContact O-C 3.48Å; L101-K257 WeakPolarHBondContact O-CA 3.35Å; D102-K257 HydrophobicContact CB-CD 4.26Å; D102-K257 HydrophobicContact CB-CG 4.06Å; D102-K257 VanDerWaalsContact CG-CE 3.48Å; D102-K257 WeakPolarHBondContact OD2-CE 3.38Å; D102-K257 IonicContact OD2-NZ 2.72Å; D102-K257 PolarHBondContact OD2-NZ 3.13Å |
| 258 | V | 92.4 | Very high | 84.3 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 126.8 | -177.2 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | Y8 F9 L68 F70 L89 I94 G100 L101 L256 | Y8-V258 CarbonylContact O-C 3.52Å; Y8-V258 WeakPolarHBondContact O-CA 3.23Å; F9-V258 HydrophobicContact CB-CB 4.39Å; F9-V258 HydrophobicContact CB-CG1 4.3Å; F9-V258 HydrophobicContact CB-CG2 4Å; L68-V258 HydrophobicContact CD2-CG1 3.7Å; L68-V258 HydrophobicContact CD2-CG2 4.45Å; F70-V258 HydrophobicContact CE2-CG2 4.23Å; F70-V258 HydrophobicContact CZ-CG2 3.96Å; L89-V258 HydrophobicContact CD1-CB 4.39Å; L89-V258 HydrophobicContact CD1-CG2 3.89Å; I94-V258 HydrophobicContact CD1-CG1 3.94Å; I94-V258 HydrophobicContact CG1-CG1 4.12Å; I94-V258 HydrophobicContact CG2-CG1 3.86Å; G100-V258 CarbonylContact C-O 3.53Å; G100-V258 WeakPolarHBondContact CA-O 3.49Å; L101-V258 HydrophobicContact CB-CB 4.4Å; L101-V258 HydrophobicContact CD1-CB 4.35Å; L101-V258 PolarHBondContact N-O 2.89Å; L101-V258 PolarHBondContact O-N 3.26Å; L256-V258 HydrophobicContact CB-CG2 4.3Å |
| 259 | R | 88.9 | Confident | 86.1 | Confident | 71 Ų | 71 | 46 Ų | 46 | 27% | 0.268 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 124.9 | 179.1 | -176 | 178.8 | 67.7 | 110.4 | -0.5 | 109.4 | Y8 V261 | Y8-R259 VanDerWaalsContact CD2-NH2 3.28Å; Y8-R259 VanDerWaalsContact CE2-NH2 3.33Å; Y8-R259 PolarHBondContact N-O 3.29Å; Y8-R259 PolarHBondContact O-N 3.49Å; R259-V261 HydrophobicContact CG-CG2 4.26Å |
| 260 | L | 88.2 | Confident | 87.7 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 15% | 0.152 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 130.9 | 170.4 | 175.5 | 58.8 | 0 | 0 | 0 | 108.9 | T5 L7 F65 K91 I94 E262 | T5-L260 HydrophobicContact CG2-CD1 3.45Å; T5-L260 VanDerWaalsContact CG2-CD1 3.45Å; L7-L260 HydrophobicContact CD2-CB 4.04Å; L7-L260 HydrophobicContact CD2-CD1 3.8Å; L7-L260 HydrophobicContact CG-CD1 4.27Å; F65-L260 HydrophobicContact CE1-CD1 3.68Å; F65-L260 HydrophobicContact CE1-CD2 4.21Å; F65-L260 HydrophobicContact CZ-CD1 4.31Å; F65-L260 HydrophobicContact CZ-CD2 4.35Å; K91-L260 HydrophobicContact CG-CD2 3.91Å; I94-L260 HydrophobicContact CB-CB 4.41Å; I94-L260 HydrophobicContact CG2-CB 3.56Å; L260-E262 HydrophobicContact CD1-CG 4.24Å; L260-E262 HydrophobicContact CG-CG 4.3Å |
| 261 | V | 82.7 | Confident | 88.5 | Confident | 13 Ų | 13 | 39 Ų | 39 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 117.5 | 171.4 | -172.6 | 0 | 0 | 0 | 0 | 107.7 | S6 Y8 R259 D263 | S6-V261 PolarHBondContact N-O 3.21Å; S6-V261 PolarHBondContact O-N 2.96Å; Y8-V261 HydrophobicContact CD2-CG2 3.82Å; Y8-V261 HydrophobicContact CE2-CB 4.1Å; Y8-V261 HydrophobicContact CE2-CG2 3.57Å; R259-V261 HydrophobicContact CG-CG2 4.26Å; V261-D263 WeakPolarHBondContact CG1-OD2 3.4Å |
| 262 | E | 81.5 | Confident | 88.6 | Confident | 79 Ų | 79 | 42.1 Ų | 42.1 | 37% | 0.369 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 110.1 | 168.6 | -70.1 | -177.5 | 126.6 | 0 | 0 | 107.9 | T5 K91 L260 K736 | T5-E262 HydrophobicContact CG2-CG 4.03Å; K91-E262 WeakPolarHBondContact CE-OE1 3.36Å; K91-E262 IonicContact NZ-OE1 2.71Å; K91-E262 PolarHBondContact NZ-OE1 3.34Å; L260-E262 HydrophobicContact CD1-CG 4.24Å; L260-E262 HydrophobicContact CG-CG 4.3Å; E262-K736 PolarHBondContact O-NZ 3.48Å; E262-K736 VanDerWaalsContact O-NZ 3.1Å |
| 263 | D | 78.6 | Confident | 88.7 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 131 | 176.5 | -68.8 | -53.3 | 0 | 0 | 0 | 108.4 | N4 V261 I265 K736 | N4-D263 HydrophobicContact CB-CB 4.42Å; N4-D263 PolarHBondContact N-O 2.81Å; N4-D263 PolarHBondContact O-N 2.9Å; V261-D263 WeakPolarHBondContact CG1-OD2 3.4Å; D263-I265 HydrophobicContact CB-CG1 4.39Å; D263-K736 WeakPolarHBondContact OD1-CD 3.28Å; D263-K736 WeakPolarHBondContact OD1-CE 3.22Å; D263-K736 IonicContact OD1-NZ 2.61Å; D263-K736 PolarHBondContact OD1-NZ 3.37Å |
| 264 | R | 83.1 | Confident | 88.7 | Confident | 83 Ų | 83 | 43.7 Ų | 43.7 | 31% | 0.313 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 132 | 163.2 | -53.2 | -172.9 | 179.1 | -141.9 | -3.6 | 106.8 | M1 A2 Q732 H803 E810 | M1-R264 HydrophobicContact CE-CB 3.17Å; M1-R264 HydrophobicContact CE-CG 4.22Å; M1-R264 HydrophobicContact CG-CB 4.1Å; M1-R264 HydrophobicContact SD-CB 3.63Å; M1-R264 HydrophobicContact SD-CG 4.33Å; A2-R264 CarbonylContact O-C 3.48Å; A2-R264 WeakPolarHBondContact O-CA 3.43Å; R264-Q732 PolarHBondContact O-NE2 3.48Å; R264-H803 PolarHBondContact O-CE1 2.83Å; R264-H803 VanDerWaalsContact O-CE1 3.25Å; R264-E810 IonicContact CZ-OE2 3.27Å; R264-E810 IonicContact NH1-OE2 2.94Å; R264-E810 PolarHBondContact NH1-OE2 3.44Å; R264-E810 IonicContact NH2-OE2 3.8Å |
| 265 | I | 85.8 | Confident | 88.4 | Confident | 16 Ų | 16 | 44.1 Ų | 44.1 | 8% | 0.082 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 118.2 | -171.5 | -51.1 | 173.8 | 0 | 0 | 0 | 107.9 | M1 A2 N4 D263 Y271 D728 V729 | M1-I265 WeakPolarHBondContact CA-O 3.49Å; M1-I265 VanDerWaalsContact CG-O 3.27Å; M1-I265 WeakPolarHBondContact CG-O 2.82Å; A2-I265 HydrophobicContact CB-CB 4.4Å; A2-I265 PolarHBondContact N-O 2.55Å; A2-I265 PolarHBondContact O-N 3.06Å; N4-I265 HydrophobicContact CB-CD1 3.92Å; D263-I265 HydrophobicContact CB-CG1 4.39Å; I265-Y271 WeakPolarHBondContact CA-OH 3.48Å; I265-Y271 HydrophobicContact CG2-CE2 3.91Å; I265-D728 HydrophobicContact CG2-CB 3.75Å; I265-V729 HydrophobicContact CD1-CB 4.23Å; I265-V729 HydrophobicContact CD1-CG2 3.37Å |
| 266 | L | 86.6 | Confident | 88.2 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | trans | -70.7 | 157.6 | 172.1 | -65.4 | 173.4 | 0 | 0 | 0 | 110.8 | M1 Y270 Y271 L799 A802 F806 | M1-L266 HydrophobicContact CE-CD2 3.89Å; M1-L266 HydrophobicContact CE-CG 4.36Å; L266-Y270 HydrophobicContact CB-CD2 4.37Å; L266-Y270 HydrophobicContact CB-CG 4.41Å; L266-Y270 HydrophobicContact CD1-CG 4.44Å; L266-Y271 HydrophobicContact CB-CE1 4.36Å; L266-Y271 HydrophobicContact CB-CE2 4.07Å; L266-Y271 PolarHBondContact N-OH 3.04Å; L266-Y271 WeakPolarHBondContact O-CE2 3.43Å; L266-L799 HydrophobicContact CD1-CD2 3.86Å; L266-A802 HydrophobicContact CD1-CB 3.75Å; L266-A802 HydrophobicContact CD2-CB 4.24Å; L266-F806 HydrophobicContact CD2-CD2 3.62Å; L266-F806 HydrophobicContact CD2-CE2 4.06Å; L266-F806 HydrophobicContact CD2-CG 4.34Å | ||
| 267 | P | 85.9 | Confident | 88 | Confident | 55 Ų | 55 | 45.6 Ų | 45.6 | 36% | 0.357 | 23% | 0.228 | S | C | . | . | trans | -57.9 | 148.8 | 170.5 | -22.6 | 33.2 | 0 | 0 | 0 | 112.3 | T269 Y270 F806 | P267-T269 PolarHBondContact O-N 3.08Å; P267-Y270 HydrophobicContact CB-CD2 4.13Å; P267-Y270 HydrophobicContact CB-CE2 4.38Å; P267-Y270 HydrophobicContact CG-CD2 4.19Å; P267-Y270 HydrophobicContact CG-CE2 4.12Å; P267-Y270 PolarHBondContact O-N 3.29Å; P267-F806 HydrophobicContact CG-CZ 4.42Å | ||
| 268 | S | 83.4 | Confident | 87.8 | Confident | 65 Ų | 65 | 42.1 Ų | 42.1 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -52 | -32 | -174.4 | -29.4 | 0 | 0 | 0 | 0 | 114.5 | Y270 Y271 Q272 D728 | S268-Y270 PolarHBondContact O-N 3Å; S268-Y270 VanDerWaalsContact O-N 3.17Å; S268-Y271 PolarHBondContact O-N 3.32Å; S268-Y271 VanDerWaalsContact O-N 3.08Å; S268-Q272 PolarHBondContact O-N 3.15Å; S268-D728 WeakPolarHBondContact CA-OD1 3.19Å; S268-D728 WeakPolarHBondContact CB-OD1 3.27Å; S268-D728 WeakPolarHBondContact CB-OD2 3.18Å; S268-D728 PolarHBondContact N-OD2 2.89Å; S268-D728 VanDerWaalsContact OG-CG 3.28Å; S268-D728 PolarHBondContact OG-OD1 3.35Å; S268-D728 PolarHBondContact OG-OD2 2.96Å |
| 269 | T | 86.4 | Confident | 87.7 | Confident | 110 Ų | 110 | 43.1 Ų | 43.1 | 68% | 0.675 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -57.7 | -29.9 | 179.3 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | P267 | P267-T269 PolarHBondContact O-N 3.08Å |
| 270 | Y | 90.4 | Very high | 87.7 | Confident | 95 Ų | 95 | 43.6 Ų | 43.6 | 37% | 0.373 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -78.3 | -28.5 | 179.5 | -69.5 | -89.8 | 0 | 0 | 0 | 112.5 | L266 P267 S268 P273 L799 A802 F806 | L266-Y270 HydrophobicContact CB-CD2 4.37Å; L266-Y270 HydrophobicContact CB-CG 4.41Å; L266-Y270 HydrophobicContact CD1-CG 4.44Å; P267-Y270 HydrophobicContact CB-CD2 4.13Å; P267-Y270 HydrophobicContact CB-CE2 4.38Å; P267-Y270 HydrophobicContact CG-CD2 4.19Å; P267-Y270 HydrophobicContact CG-CE2 4.12Å; P267-Y270 PolarHBondContact O-N 3.29Å; S268-Y270 PolarHBondContact O-N 3Å; S268-Y270 VanDerWaalsContact O-N 3.17Å; Y270-P273 WeakPolarHBondContact O-CD 3.4Å; Y270-L799 WeakPolarHBondContact O-CD2 3.26Å; Y270-A802 HydrophobicContact CD1-CB 3.61Å; Y270-A802 HydrophobicContact CE1-CB 3.72Å; Y270-A802 HydrophobicContact CG-CB 4.45Å; Y270-F806 HydrophobicContact CE2-CE2 4.24Å |
| 271 | Y | 92.1 | Very high | 87.6 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -84.4 | -16.5 | -178.5 | -66.3 | -49.6 | 0 | 0 | 0 | 113.8 | I265 L266 S268 P273 L274 I275 D728 T731 Q732 L799 | I265-Y271 WeakPolarHBondContact CA-OH 3.48Å; I265-Y271 HydrophobicContact CG2-CE2 3.91Å; L266-Y271 HydrophobicContact CB-CE1 4.36Å; L266-Y271 HydrophobicContact CB-CE2 4.07Å; L266-Y271 PolarHBondContact N-OH 3.04Å; L266-Y271 WeakPolarHBondContact O-CE2 3.43Å; S268-Y271 PolarHBondContact O-N 3.32Å; S268-Y271 VanDerWaalsContact O-N 3.08Å; Y271-P273 VanDerWaalsContact C-CD 3.48Å; Y271-L274 WeakPolarHBondContact O-CB 3.36Å; Y271-L274 PolarHBondContact O-N 3.3Å; Y271-I275 PolarHBondContact O-N 3.22Å; Y271-I275 VanDerWaalsContact O-N 3.09Å; Y271-D728 HydrophobicContact CD2-CB 4Å; Y271-D728 HydrophobicContact CE2-CB 3.91Å; Y271-T731 HydrophobicContact CD1-CG2 3.87Å; Y271-T731 HydrophobicContact CG-CG2 3.9Å; Y271-Q732 HydrophobicContact CE1-CB 4.23Å; Y271-Q732 WeakPolarHBondContact OH-CB 3.39Å; Y271-Q732 PolarHBondContact OH-OE1 3.07Å; Y271-L799 HydrophobicContact CD1-CD1 4.47Å; Y271-L799 HydrophobicContact CD1-CD2 3.79Å; Y271-L799 HydrophobicContact CE1-CD2 3.98Å |
| 272 | Q | 89.4 | Confident | 87.8 | Confident | 92 Ų | 92 | 42.7 Ų | 42.7 | 43% | 0.43 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -52.3 | -44.4 | -176.6 | -173.3 | 61.9 | 28.7 | 0 | 0 | 113.8 | S268 L274 I275 E276 | S268-Q272 PolarHBondContact O-N 3.15Å; Q272-L274 VanDerWaalsContact C-N 3.3Å; Q272-L274 PolarHBondContact O-N 2.98Å; Q272-I275 PolarHBondContact O-N 2.96Å; Q272-E276 WeakPolarHBondContact CG-OE1 3.47Å; Q272-E276 PolarHBondContact NE2-OE1 2.87Å; Q272-E276 WeakPolarHBondContact O-CG 3.21Å; Q272-E276 PolarHBondContact O-N 3.35Å |
| 273 | P | 93 | Very high | 87.9 | Confident | 47 Ų | 47 | 44.2 Ų | 44.2 | 31% | 0.305 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.8 | -35 | 177.3 | -23.9 | 35.8 | 0 | 0 | 0 | 113.7 | Y270 Y271 L277 V795 | Y270-P273 WeakPolarHBondContact O-CD 3.4Å; Y271-P273 VanDerWaalsContact C-CD 3.48Å; P273-L277 WeakPolarHBondContact O-CG 3.49Å; P273-L277 PolarHBondContact O-N 3.02Å; P273-V795 HydrophobicContact CB-CG1 4.5Å; P273-V795 HydrophobicContact CB-CG2 3.88Å |
| 274 | L | 93.8 | Very high | 87.7 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.9 | -44 | 176.9 | -179 | 52.9 | 0 | 0 | 0 | 111 | Y271 Q272 E276 L277 L278 T731 I734 L738 L792 V795 L799 | Y271-L274 WeakPolarHBondContact O-CB 3.36Å; Y271-L274 PolarHBondContact O-N 3.3Å; Q272-L274 VanDerWaalsContact C-N 3.3Å; Q272-L274 PolarHBondContact O-N 2.98Å; L274-E276 VanDerWaalsContact C-N 3.32Å; L274-E276 PolarHBondContact O-N 3.32Å; L274-L277 PolarHBondContact O-N 3.28Å; L274-L278 HydrophobicContact CD1-CD1 4.49Å; L274-L278 HydrophobicContact CD1-CG 4.45Å; L274-L278 HydrophobicContact CG-CD1 4.36Å; L274-L278 WeakPolarHBondContact O-CG 3.42Å; L274-L278 PolarHBondContact O-N 3.41Å; L274-L278 VanDerWaalsContact O-N 3.11Å; L274-T731 HydrophobicContact CB-CG2 4.16Å; L274-T731 HydrophobicContact CD2-CG2 3.7Å; L274-T731 HydrophobicContact CG-CG2 4.04Å; L274-I734 HydrophobicContact CD2-CG2 4.36Å; L274-L738 HydrophobicContact CD1-CD1 3.64Å; L274-L738 HydrophobicContact CD2-CD1 4.3Å; L274-L792 HydrophobicContact CD1-CD2 4.09Å; L274-V795 HydrophobicContact CB-CG1 3.78Å; L274-V795 HydrophobicContact CD1-CG1 4.42Å; L274-L799 HydrophobicContact CD2-CD1 4.29Å |
| 275 | I | 90.5 | Very high | 86.9 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 175.7 | -72.1 | -58.2 | 0 | 0 | 0 | 111 | Y271 Q272 L277 L278 V279 I316 T731 | Y271-I275 PolarHBondContact O-N 3.22Å; Y271-I275 VanDerWaalsContact O-N 3.09Å; Q272-I275 PolarHBondContact O-N 2.96Å; I275-L277 PolarHBondContact O-N 2.93Å; I275-L278 PolarHBondContact O-N 2.79Å; I275-V279 HydrophobicContact CG2-CG2 4.14Å; I275-V279 WeakPolarHBondContact O-CB 3.36Å; I275-V279 VanDerWaalsContact O-CG2 3.31Å; I275-V279 WeakPolarHBondContact O-CG2 3.17Å; I275-V279 PolarHBondContact O-N 2.9Å; I275-I316 HydrophobicContact CD1-CD1 4.3Å; I275-I316 HydrophobicContact CD1-CG2 3.62Å; I275-T731 HydrophobicContact CD1-CG2 4.05Å; I275-T731 WeakPolarHBondContact CD1-OG1 3.3Å; I275-T731 HydrophobicContact CG1-CG2 4.11Å |
| 276 | E | 90.1 | Very high | 85.6 | Confident | 102 Ų | 102 | 49.6 Ų | 49.6 | 48% | 0.477 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60 | -44 | 179 | -75 | 171.4 | -173.2 | 0 | 0 | 112 | Q272 L274 L278 V279 E280 | Q272-E276 WeakPolarHBondContact CG-OE1 3.47Å; Q272-E276 PolarHBondContact NE2-OE1 2.87Å; Q272-E276 WeakPolarHBondContact O-CG 3.21Å; Q272-E276 PolarHBondContact O-N 3.35Å; L274-E276 VanDerWaalsContact C-N 3.32Å; L274-E276 PolarHBondContact O-N 3.32Å; E276-L278 PolarHBondContact O-N 3.43Å; E276-V279 PolarHBondContact O-N 2.85Å; E276-E280 VanDerWaalsContact O-CB 3.27Å; E276-E280 WeakPolarHBondContact O-CB 3.42Å; E276-E280 PolarHBondContact O-N 3.41Å |
| 277 | L | 90.4 | Very high | 84 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 175.8 | -74.8 | 173.3 | 0 | 0 | 0 | 113.1 | P273 L274 I275 S281 A293 R791 L792 V795 | P273-L277 WeakPolarHBondContact O-CG 3.49Å; P273-L277 PolarHBondContact O-N 3.02Å; L274-L277 PolarHBondContact O-N 3.28Å; I275-L277 PolarHBondContact O-N 2.93Å; L277-S281 PolarHBondContact O-N 3.29Å; L277-S281 PolarHBondContact O-OG 3.4Å; L277-S281 VanDerWaalsContact O-OG 3.13Å; L277-A293 HydrophobicContact CB-CB 4.22Å; L277-A293 WeakPolarHBondContact O-CB 3.32Å; L277-R791 HydrophobicContact CD1-CB 4.31Å; L277-R791 HydrophobicContact CD2-CB 3.96Å; L277-L792 HydrophobicContact CD1-CD2 3.9Å; L277-L792 HydrophobicContact CD1-CG 4.35Å; L277-V795 HydrophobicContact CD1-CB 4.41Å; L277-V795 HydrophobicContact CD1-CG2 3.74Å |
| 278 | L | 91.6 | Very high | 82.6 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.5 | -52.1 | 176.6 | -67.1 | 171.9 | 0 | 0 | 0 | 109.7 | L274 I275 E276 E280 S281 A293 L294 L297 L313 Y317 I734 | L274-L278 HydrophobicContact CD1-CD1 4.49Å; L274-L278 HydrophobicContact CD1-CG 4.45Å; L274-L278 HydrophobicContact CG-CD1 4.36Å; L274-L278 WeakPolarHBondContact O-CG 3.42Å; L274-L278 PolarHBondContact O-N 3.41Å; L274-L278 VanDerWaalsContact O-N 3.11Å; I275-L278 PolarHBondContact O-N 2.79Å; E276-L278 PolarHBondContact O-N 3.43Å; L278-E280 VanDerWaalsContact C-N 3.34Å; L278-E280 PolarHBondContact O-N 3.05Å; L278-S281 WeakPolarHBondContact O-CB 2.95Å; L278-S281 PolarHBondContact O-N 2.99Å; L278-S281 VanDerWaalsContact O-N 3.1Å; L278-S281 PolarHBondContact O-OG 3.25Å; L278-A293 HydrophobicContact CD2-CB 4.38Å; L278-L294 HydrophobicContact CD2-CD2 3.94Å; L278-L297 HydrophobicContact CD2-CD2 4.37Å; L278-L313 HydrophobicContact CD1-CD2 4.49Å; L278-Y317 PolarHBondContact O-OH 2.92Å; L278-I734 HydrophobicContact CD1-CG2 4.22Å |
| 279 | V | 89.9 | Confident | 81.2 | Confident | 23 Ų | 23 | 63.4 Ų | 63.4 | 14% | 0.139 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.3 | -39.5 | -178.6 | 168.6 | 0 | 0 | 0 | 0 | 112.4 | I275 E276 S281 V282 I283 Y317 Q320 L322 | I275-V279 HydrophobicContact CG2-CG2 4.14Å; I275-V279 WeakPolarHBondContact O-CB 3.36Å; I275-V279 VanDerWaalsContact O-CG2 3.31Å; I275-V279 WeakPolarHBondContact O-CG2 3.17Å; I275-V279 PolarHBondContact O-N 2.9Å; E276-V279 PolarHBondContact O-N 2.85Å; V279-S281 PolarHBondContact O-N 3Å; V279-V282 PolarHBondContact O-N 2.99Å; V279-I283 HydrophobicContact CG1-CD1 3.36Å; V279-I283 HydrophobicContact CG1-CG1 3.95Å; V279-I283 PolarHBondContact O-N 3.25Å; V279-Y317 HydrophobicContact CG2-CE1 4.35Å; V279-Q320 HydrophobicContact CG2-CG 4.36Å; V279-L322 HydrophobicContact CG1-CD1 3.66Å; V279-L322 HydrophobicContact CG2-CD1 4.22Å |
| 280 | E | 89 | Confident | 79.8 | Confident | 81 Ų | 81 | 63 Ų | 63 | 38% | 0.379 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -55.6 | -37.4 | 175.8 | -175.4 | -178 | 166.6 | 0 | 0 | 111.7 | E276 L278 V282 I283 S284 R791 | E276-E280 VanDerWaalsContact O-CB 3.27Å; E276-E280 WeakPolarHBondContact O-CB 3.42Å; E276-E280 PolarHBondContact O-N 3.41Å; L278-E280 VanDerWaalsContact C-N 3.34Å; L278-E280 PolarHBondContact O-N 3.05Å; E280-V282 PolarHBondContact O-N 2.85Å; E280-V282 VanDerWaalsContact O-N 3.12Å; E280-I283 PolarHBondContact O-N 2.87Å; E280-S284 CarbonylContact O-C 3.5Å; E280-S284 PolarHBondContact O-N 3.31Å; E280-R791 VanDerWaalsContact CD-NH1 3.32Å; E280-R791 IonicContact OE1-CZ 2.96Å; E280-R791 IonicContact OE1-NH1 3.33Å; E280-R791 PolarHBondContact OE1-NH1 3.34Å; E280-R791 IonicContact OE1-NH2 3.96Å; E280-R791 IonicContact OE2-CZ 2.65Å; E280-R791 VanDerWaalsContact OE2-CZ 3.25Å; E280-R791 IonicContact OE2-NH1 3.78Å; E280-R791 PolarHBondContact OE2-NH1 3.38Å; E280-R791 IonicContact OE2-NH2 2.98Å; E280-R791 PolarHBondContact OE2-NH2 2.8Å |
| 281 | S | 86.3 | Confident | 78.9 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.4 | -24.6 | 178.7 | -56.2 | 0 | 0 | 0 | 0 | 113.3 | L277 L278 V279 A293 | L277-S281 PolarHBondContact O-N 3.29Å; L277-S281 PolarHBondContact O-OG 3.4Å; L277-S281 VanDerWaalsContact O-OG 3.13Å; L278-S281 WeakPolarHBondContact O-CB 2.95Å; L278-S281 PolarHBondContact O-N 2.99Å; L278-S281 VanDerWaalsContact O-N 3.1Å; L278-S281 PolarHBondContact O-OG 3.25Å; V279-S281 PolarHBondContact O-N 3Å; S281-A293 WeakPolarHBondContact OG-CB 3.45Å; S281-A293 PolarHBondContact OG-N 3Å |
| 282 | V | 86.1 | Confident | 78.6 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 9% | 0.085 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -101.8 | -39.7 | -175.8 | 178.3 | 0 | 0 | 0 | 0 | 111.9 | V279 E280 L294 Y317 P325 F326 | V279-V282 PolarHBondContact O-N 2.99Å; E280-V282 PolarHBondContact O-N 2.85Å; E280-V282 VanDerWaalsContact O-N 3.12Å; V282-L294 HydrophobicContact CG2-CD1 3.72Å; V282-Y317 HydrophobicContact CB-CE1 4.25Å; V282-Y317 HydrophobicContact CG2-CE1 3.65Å; V282-Y317 WeakPolarHBondContact CG2-OH 3.38Å; V282-P325 HydrophobicContact CG1-CB 3.35Å; V282-F326 HydrophobicContact CG1-CB 4.42Å; V282-F326 HydrophobicContact CG2-CB 4.21Å; V282-F326 HydrophobicContact CG2-CD2 4.31Å |
| 283 | I | 84.2 | Confident | 78.5 | Confident | 112 Ų | 112 | 55.8 Ų | 55.8 | 57% | 0.574 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -79.3 | -34.7 | -177.3 | -61.3 | -177.7 | 0 | 0 | 0 | 111.7 | V279 E280 L322 | V279-I283 HydrophobicContact CG1-CD1 3.36Å; V279-I283 HydrophobicContact CG1-CG1 3.95Å; V279-I283 PolarHBondContact O-N 3.25Å; E280-I283 PolarHBondContact O-N 2.87Å; I283-L322 HydrophobicContact CD1-CD1 3.87Å; I283-L322 HydrophobicContact CD1-CD2 4.46Å; I283-L322 HydrophobicContact CG1-CD1 4.26Å |
| 284 | S | 74.5 | Confident | 78.4 | Confident | 82 Ų | 82 | 53.5 Ų | 53.5 | 57% | 0.573 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -132.9 | 69.9 | -178.2 | -173.6 | 0 | 0 | 0 | 0 | 110 | E280 A286 | E280-S284 CarbonylContact O-C 3.5Å; E280-S284 PolarHBondContact O-N 3.31Å; S284-A286 PolarHBondContact O-N 3.36Å |
| 285 | P | 65.5 | Low | 78.1 | Confident | 79 Ų | 79 | 53.7 Ų | 53.7 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | trans | -57.1 | 124.1 | 179 | 22.6 | -30.6 | 0 | 0 | 0 | 109.7 | Y329 | P285-Y329 HydrophobicContact CB-CE2 4.44Š| ||
| 286 | A | 58.6 | Low | 78 | Confident | 54 Ų | 54 | 53.6 Ų | 53.6 | 45% | 0.446 | 30% | 0.296 | S | S | . | . | trans | -59.5 | 146 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | S284 V288 | S284-A286 PolarHBondContact O-N 3.36Å; A286-V288 PolarHBondContact O-N 3.2Å | ||
| 287 | E | 53.4 | Low | 78.1 | Confident | 205 Ų | 205 | 48.8 Ų | 48.8 | 96% | 0.958 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -59.6 | -16.3 | 176.8 | -64.7 | -176.3 | 169.3 | 0 | 0 | 112.9 | ||
| 288 | V | 54.8 | Low | 78 | Confident | 94 Ų | 94 | 51 Ų | 51 | 57% | 0.57 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -101.1 | 110.7 | 174.8 | -172.7 | 0 | 0 | 0 | 0 | 109 | A286 D290 S291 | A286-V288 PolarHBondContact O-N 3.2Å; V288-D290 PolarHBondContact O-N 3.18Å; V288-S291 PolarHBondContact O-N 3.24Å |
| 289 | E | 55 | Low | 77.8 | Confident | 114 Ų | 114 | 53.9 Ų | 53.9 | 53% | 0.533 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -16.4 | -173.1 | -72.5 | -174.9 | 141.5 | 0 | 0 | 115.1 | ||
| 290 | D | 57.1 | Low | 77.8 | Confident | 100 Ų | 100 | 53.6 Ų | 53.6 | 54% | 0.535 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -9 | -170.5 | -75.5 | -33.9 | 0 | 0 | 0 | 116.2 | V288 T295 M296 | V288-D290 PolarHBondContact O-N 3.18Å; D290-T295 PolarHBondContact O-OG1 3.02Å; D290-M296 VanDerWaalsContact O-CE 3.3Å; D290-M296 WeakPolarHBondContact O-CE 3.33Å |
| 291 | S | 71.2 | Confident | 77.8 | Confident | 28 Ų | 28 | 50 Ų | 50 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | trans | -115 | 51.9 | -169.7 | 71.2 | 0 | 0 | 0 | 0 | 114.7 | V288 V788 | V288-S291 PolarHBondContact O-N 3.24Å; S291-V788 WeakPolarHBondContact O-CG2 3.2Å | ||
| 292 | S | 85.7 | Confident | 77.9 | Confident | 9 Ų | 9 | 53 Ų | 53 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -108.7 | 164.9 | 173.6 | 90.7 | 0 | 0 | 0 | 0 | 112.3 | L294 T295 M296 Y329 | S292-L294 PolarHBondContact O-N 2.61Å; S292-L294 PolarHBondContact OG-N 3.47Å; S292-T295 PolarHBondContact N-OG1 3.09Å; S292-T295 VanDerWaalsContact N-OG1 3.08Å; S292-T295 PolarHBondContact O-N 2.95Å; S292-T295 PolarHBondContact O-OG1 3.26Å; S292-T295 VanDerWaalsContact OG-CG2 3.3Å; S292-T295 WeakPolarHBondContact OG-CG2 3.34Å; S292-T295 PolarHBondContact OG-N 3.43Å; S292-T295 VanDerWaalsContact OG-N 3.09Å; S292-M296 WeakPolarHBondContact O-CG 3.47Å; S292-M296 PolarHBondContact O-N 3.33Å; S292-M296 VanDerWaalsContact O-N 3.16Å; S292-Y329 WeakPolarHBondContact CB-OH 3.28Å; S292-Y329 PolarHBondContact OG-OH 3.15Å |
| 293 | A | 88.3 | Confident | 77.9 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.008 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.8 | -33.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L277 L278 S281 L297 V788 L792 | L277-A293 HydrophobicContact CB-CB 4.22Å; L277-A293 WeakPolarHBondContact O-CB 3.32Å; L278-A293 HydrophobicContact CD2-CB 4.38Å; S281-A293 WeakPolarHBondContact OG-CB 3.45Å; S281-A293 PolarHBondContact OG-N 3Å; A293-L297 WeakPolarHBondContact O-CB 3.41Å; A293-L297 PolarHBondContact O-N 3.18Å; A293-V788 HydrophobicContact CB-CG1 4.07Å; A293-L792 HydrophobicContact CB-CD1 4.22Å; A293-L792 HydrophobicContact CB-CD2 4.25Å; A293-L792 HydrophobicContact CB-CG 4.47Å |
| 294 | L | 90.1 | Very high | 77.7 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.7 | -38.4 | 175.6 | -70.5 | 177.2 | 0 | 0 | 0 | 112.6 | L278 V282 S292 L297 E298 L313 Y317 F326 Y329 | L278-L294 HydrophobicContact CD2-CD2 3.94Å; V282-L294 HydrophobicContact CG2-CD1 3.72Å; S292-L294 PolarHBondContact O-N 2.61Å; S292-L294 PolarHBondContact OG-N 3.47Å; L294-L297 PolarHBondContact O-N 3.04Å; L294-E298 WeakPolarHBondContact O-CB 3.43Å; L294-E298 PolarHBondContact O-N 3.37Å; L294-L313 HydrophobicContact CD2-CD1 4.2Å; L294-L313 HydrophobicContact CD2-CD2 4.11Å; L294-Y317 HydrophobicContact CD2-CE2 4.36Å; L294-F326 HydrophobicContact CD1-CD2 3.98Å; L294-F326 HydrophobicContact CD1-CE2 4.11Å; L294-F326 HydrophobicContact CD2-CE2 4.25Å; L294-Y329 HydrophobicContact CB-CE1 3.97Å; L294-Y329 HydrophobicContact CD1-CD1 3.75Å; L294-Y329 HydrophobicContact CD1-CE1 3.76Å |
| 295 | T | 88.2 | Confident | 78.1 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 176.7 | 67 | 0 | 0 | 0 | 0 | 110.7 | D290 S292 L297 E298 E299 Y329 | D290-T295 PolarHBondContact O-OG1 3.02Å; S292-T295 PolarHBondContact N-OG1 3.09Å; S292-T295 VanDerWaalsContact N-OG1 3.08Å; S292-T295 PolarHBondContact O-N 2.95Å; S292-T295 PolarHBondContact O-OG1 3.26Å; S292-T295 VanDerWaalsContact OG-CG2 3.3Å; S292-T295 WeakPolarHBondContact OG-CG2 3.34Å; S292-T295 PolarHBondContact OG-N 3.43Å; S292-T295 VanDerWaalsContact OG-N 3.09Å; T295-L297 VanDerWaalsContact C-N 3.34Å; T295-L297 PolarHBondContact O-N 3.37Å; T295-E298 PolarHBondContact O-N 3.25Å; T295-E299 WeakPolarHBondContact O-CG 3.49Å; T295-E299 PolarHBondContact O-N 3.4Å; T295-Y329 WeakPolarHBondContact CG2-OH 3.26Å |
| 296 | M | 88.4 | Confident | 79.3 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 176.1 | -65.2 | -62.5 | 115 | 0 | 0 | 111.8 | D290 S292 E299 V300 L745 A789 L792 | D290-M296 VanDerWaalsContact O-CE 3.3Å; D290-M296 WeakPolarHBondContact O-CE 3.33Å; S292-M296 WeakPolarHBondContact O-CG 3.47Å; S292-M296 PolarHBondContact O-N 3.33Å; S292-M296 VanDerWaalsContact O-N 3.16Å; M296-E299 PolarHBondContact O-N 2.96Å; M296-V300 PolarHBondContact O-N 3.49Å; M296-V300 VanDerWaalsContact O-N 3.13Å; M296-L745 HydrophobicContact CB-CD2 4.18Å; M296-A789 HydrophobicContact SD-CB 4.5Å; M296-L792 HydrophobicContact CB-CD1 3.8Å; M296-L792 HydrophobicContact CG-CD1 4.29Å |
| 297 | L | 90.9 | Very high | 80.7 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.4 | 178.6 | 61.9 | 0 | 0 | 0 | 111.6 | L278 A293 L294 T295 E299 V300 T301 V309 L313 I734 Q737 L738 | L278-L297 HydrophobicContact CD2-CD2 4.37Å; A293-L297 WeakPolarHBondContact O-CB 3.41Å; A293-L297 PolarHBondContact O-N 3.18Å; L294-L297 PolarHBondContact O-N 3.04Å; T295-L297 VanDerWaalsContact C-N 3.34Å; T295-L297 PolarHBondContact O-N 3.37Å; L297-E299 VanDerWaalsContact C-N 3.3Å; L297-E299 PolarHBondContact O-N 3.14Å; L297-V300 HydrophobicContact CD1-CG2 4.37Å; L297-V300 WeakPolarHBondContact O-CG2 3.35Å; L297-V300 PolarHBondContact O-N 2.96Å; L297-T301 WeakPolarHBondContact O-CB 3.29Å; L297-T301 PolarHBondContact O-N 3.37Å; L297-T301 PolarHBondContact O-OG1 3.08Å; L297-V309 HydrophobicContact CD2-CG1 4.21Å; L297-V309 HydrophobicContact CG-CG1 4.38Å; L297-L313 HydrophobicContact CD2-CD1 3.97Å; L297-L313 HydrophobicContact CD2-CD2 3.92Å; L297-L313 HydrophobicContact CD2-CG 4.34Å; L297-I734 HydrophobicContact CD1-CG2 4.26Å; L297-I734 HydrophobicContact CD2-CD1 4.26Å; L297-I734 HydrophobicContact CD2-CG2 3.96Å; L297-Q737 HydrophobicContact CD1-CB 4.41Å; L297-L738 HydrophobicContact CB-CD2 4.38Å; L297-L738 HydrophobicContact CD1-CD2 3.76Å; L297-L738 HydrophobicContact CD1-CG 3.99Å |
| 298 | E | 89.3 | Confident | 82.1 | Confident | 50 Ų | 50 | 48.9 Ų | 48.9 | 23% | 0.234 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 176.8 | -177.2 | 171.8 | -156.2 | 0 | 0 | 111.7 | L294 T295 V300 T301 R333 L350 | L294-E298 WeakPolarHBondContact O-CB 3.43Å; L294-E298 PolarHBondContact O-N 3.37Å; T295-E298 PolarHBondContact O-N 3.25Å; E298-V300 PolarHBondContact O-N 2.99Å; E298-T301 PolarHBondContact O-N 3.27Å; E298-R333 IonicContact OE2-CZ 2.8Å; E298-R333 IonicContact OE2-NH1 3.11Å; E298-R333 PolarHBondContact OE2-NH1 2.86Å; E298-L350 HydrophobicContact CB-CD2 3.97Å; E298-L350 HydrophobicContact CG-CB 4.08Å; E298-L350 HydrophobicContact CG-CD2 4.17Å; E298-L350 VanDerWaalsContact OE1-CB 3.32Å; E298-L350 WeakPolarHBondContact OE1-CB 3.35Å |
| 299 | E | 87.3 | Confident | 83.8 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.1 | -40.8 | 177.4 | -74.7 | -165.2 | 170 | 0 | 0 | 112.7 | T295 M296 L297 T301 K744 K748 | T295-E299 WeakPolarHBondContact O-CG 3.49Å; T295-E299 PolarHBondContact O-N 3.4Å; M296-E299 PolarHBondContact O-N 2.96Å; L297-E299 VanDerWaalsContact C-N 3.3Å; L297-E299 PolarHBondContact O-N 3.14Å; E299-T301 VanDerWaalsContact C-N 3.32Å; E299-K744 WeakPolarHBondContact O-CE 3.12Å; E299-K744 PolarHBondContact O-NZ 3.09Å; E299-K748 VanDerWaalsContact CD-NZ 3.3Å; E299-K748 IonicContact OE1-NZ 3.59Å; E299-K748 PolarHBondContact OE1-NZ 2.85Å; E299-K748 WeakPolarHBondContact OE2-CD 3.23Å; E299-K748 WeakPolarHBondContact OE2-CE 3.31Å; E299-K748 IonicContact OE2-NZ 3.91Å; E299-K748 PolarHBondContact OE2-NZ 2.76Å |
| 300 | V | 89.3 | Confident | 85.6 | Confident | 17 Ų | 17 | 39 Ų | 39 | 10% | 0.103 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -82 | -13.8 | 179.7 | -57.1 | 0 | 0 | 0 | 0 | 113.5 | M296 L297 E298 T302 L738 K744 L745 | M296-V300 PolarHBondContact O-N 3.49Å; M296-V300 VanDerWaalsContact O-N 3.13Å; L297-V300 HydrophobicContact CD1-CG2 4.37Å; L297-V300 WeakPolarHBondContact O-CG2 3.35Å; L297-V300 PolarHBondContact O-N 2.96Å; E298-V300 PolarHBondContact O-N 2.99Å; V300-T302 PolarHBondContact O-N 2.68Å; V300-L738 HydrophobicContact CG2-CD2 4.28Å; V300-K744 HydrophobicContact CG1-CB 4.14Å; V300-K744 HydrophobicContact CG1-CD 4.28Å; V300-K744 HydrophobicContact CG1-CG 4.33Å; V300-L745 HydrophobicContact CB-CD1 4.49Å; V300-L745 HydrophobicContact CG1-CD1 3.7Å; V300-L745 HydrophobicContact CG1-CG 3.86Å; V300-L745 HydrophobicContact CG2-CD1 4.2Å |
| 301 | T | 89.6 | Confident | 87.1 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.043 | 19% | 0.191 | C | C | . | . | trans | -73.9 | 123.6 | 179.4 | -64.4 | 0 | 0 | 0 | 0 | 111.6 | L297 E298 E299 R306 V309 | L297-T301 WeakPolarHBondContact O-CB 3.29Å; L297-T301 PolarHBondContact O-N 3.37Å; L297-T301 PolarHBondContact O-OG1 3.08Å; E298-T301 PolarHBondContact O-N 3.27Å; E299-T301 VanDerWaalsContact C-N 3.32Å; T301-R306 HydrophobicContact CG2-CB 4.03Å; T301-R306 HydrophobicContact CG2-CG 4.41Å; T301-R306 PolarHBondContact O-NH2 3.37Å; T301-V309 HydrophobicContact CG2-CB 4.09Å; T301-V309 HydrophobicContact CG2-CG1 4.41Å; T301-V309 HydrophobicContact CG2-CG2 3.81Å | ||
| 302 | T | 87.6 | Confident | 87.9 | Confident | 70 Ų | 70 | 36.1 Ų | 36.1 | 43% | 0.429 | 19% | 0.187 | S | C | . | . | trans | -72.8 | 161.5 | 177 | 72.6 | 0 | 0 | 0 | 0 | 111.9 | V300 E304 S305 R306 | V300-T302 PolarHBondContact O-N 2.68Å; T302-E304 PolarHBondContact O-N 3.45Å; T302-S305 PolarHBondContact N-OG 3.09Å; T302-S305 PolarHBondContact O-N 3.03Å; T302-S305 PolarHBondContact OG1-N 3.01Å; T302-S305 VanDerWaalsContact OG1-N 3.11Å; T302-S305 PolarHBondContact OG1-OG 3.45Å; T302-R306 WeakPolarHBondContact O-CB 3.4Å; T302-R306 PolarHBondContact O-N 2.91Å; T302-R306 VanDerWaalsContact O-N 3.08Å | ||
| 303 | V | 85.9 | Confident | 88.2 | Confident | 95 Ų | 95 | 35.7 Ų | 35.7 | 58% | 0.576 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -34 | 175.8 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | N348 | V303-N348 WeakPolarHBondContact CG1-ND2 3.29Š|
| 304 | E | 80.4 | Confident | 88.3 | Confident | 156 Ų | 156 | 35.6 Ų | 35.6 | 73% | 0.729 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -40.5 | -179.9 | -65.1 | 171.6 | -176 | 0 | 0 | 111.8 | K99 T302 | K99-E304 IonicContact NZ-OE2 3.02Å; T302-E304 PolarHBondContact O-N 3.45Å |
| 305 | S | 83.8 | Confident | 88.1 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -8.7 | -178.1 | 62.1 | 0 | 0 | 0 | 0 | 114.7 | T302 Q307 D308 V309 Q737 | T302-S305 PolarHBondContact N-OG 3.09Å; T302-S305 PolarHBondContact O-N 3.03Å; T302-S305 PolarHBondContact OG1-N 3.01Å; T302-S305 VanDerWaalsContact OG1-N 3.11Å; T302-S305 PolarHBondContact OG1-OG 3.45Å; S305-Q307 VanDerWaalsContact C-N 3.33Å; S305-Q307 PolarHBondContact O-N 3.15Å; S305-D308 PolarHBondContact O-N 2.84Å; S305-D308 VanDerWaalsContact O-N 3.11Å; S305-V309 WeakPolarHBondContact O-CG2 3.5Å; S305-V309 PolarHBondContact O-N 3.48Å; S305-Q737 PolarHBondContact OG-OE1 2.84Å |
| 306 | R | 89.5 | Confident | 88 | Confident | 43 Ų | 43 | 37.9 Ų | 37.9 | 16% | 0.162 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.3 | -39.8 | -173 | -170.6 | 166.4 | -66.3 | 141 | 6.7 | 114.6 | T301 T302 A310 N348 L350 | T301-R306 HydrophobicContact CG2-CB 4.03Å; T301-R306 HydrophobicContact CG2-CG 4.41Å; T301-R306 PolarHBondContact O-NH2 3.37Å; T302-R306 WeakPolarHBondContact O-CB 3.4Å; T302-R306 PolarHBondContact O-N 2.91Å; T302-R306 VanDerWaalsContact O-N 3.08Å; R306-A310 VanDerWaalsContact O-CB 3.31Å; R306-A310 WeakPolarHBondContact O-CB 3.47Å; R306-A310 PolarHBondContact O-N 3.1Å; R306-N348 VanDerWaalsContact CD-O 3.26Å; R306-N348 WeakPolarHBondContact CD-O 3.39Å; R306-N348 PolarHBondContact NH1-O 3.19Å; R306-L350 HydrophobicContact CG-CD1 4.49Å |
| 307 | Q | 88.1 | Confident | 88 | Confident | 79 Ų | 79 | 37.5 Ų | 37.5 | 37% | 0.369 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68.2 | -40.9 | 178.7 | -174.2 | 171.7 | -71.6 | 0 | 0 | 111.9 | S305 A310 M311 K353 | S305-Q307 VanDerWaalsContact C-N 3.33Å; S305-Q307 PolarHBondContact O-N 3.15Å; Q307-A310 PolarHBondContact O-N 3.27Å; Q307-M311 PolarHBondContact O-N 3.44Å; Q307-K353 HydrophobicContact CB-CD 4.29Å; Q307-K353 HydrophobicContact CG-CD 4.31Å |
| 308 | D | 84.2 | Confident | 87.7 | Confident | 75 Ų | 75 | 38.7 Ų | 38.7 | 40% | 0.401 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68.4 | -40.5 | 179.3 | -64.2 | -20.4 | 0 | 0 | 0 | 110.8 | S305 M311 T312 | S305-D308 PolarHBondContact O-N 2.84Å; S305-D308 VanDerWaalsContact O-N 3.11Å; D308-M311 PolarHBondContact O-N 2.98Å; D308-T312 WeakPolarHBondContact O-CB 3.44Å; D308-T312 PolarHBondContact O-N 3Å; D308-T312 PolarHBondContact O-OG1 3.25Å |
| 309 | V | 91.1 | Very high | 87 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.9 | -46.3 | 172.3 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | L297 T301 S305 M311 T312 L313 L350 I734 Q737 | L297-V309 HydrophobicContact CD2-CG1 4.21Å; L297-V309 HydrophobicContact CG-CG1 4.38Å; T301-V309 HydrophobicContact CG2-CB 4.09Å; T301-V309 HydrophobicContact CG2-CG1 4.41Å; T301-V309 HydrophobicContact CG2-CG2 3.81Å; S305-V309 WeakPolarHBondContact O-CG2 3.5Å; S305-V309 PolarHBondContact O-N 3.48Å; V309-M311 PolarHBondContact O-N 3.31Å; V309-T312 PolarHBondContact O-N 3.39Å; V309-L313 HydrophobicContact CG1-CD1 3.85Å; V309-L313 HydrophobicContact CG1-CG 4.28Å; V309-L313 WeakPolarHBondContact O-CG 3.3Å; V309-L313 PolarHBondContact O-N 3.47Å; V309-L350 HydrophobicContact CG1-CD1 4.25Å; V309-I734 HydrophobicContact CG1-CD1 4.4Å; V309-Q737 HydrophobicContact CG2-CB 4.48Å; V309-Q737 HydrophobicContact CG2-CG 3.79Å |
| 310 | A | 92.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.3 | -45.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R306 Q307 T312 L313 V314 L350 K353 A354 Q357 | R306-A310 VanDerWaalsContact O-CB 3.31Å; R306-A310 WeakPolarHBondContact O-CB 3.47Å; R306-A310 PolarHBondContact O-N 3.1Å; Q307-A310 PolarHBondContact O-N 3.27Å; A310-T312 PolarHBondContact O-N 3.3Å; A310-L313 PolarHBondContact O-N 2.89Å; A310-V314 WeakPolarHBondContact O-CB 3.34Å; A310-V314 VanDerWaalsContact O-CG2 3.24Å; A310-V314 WeakPolarHBondContact O-CG2 3.36Å; A310-V314 PolarHBondContact O-N 3.37Å; A310-L350 HydrophobicContact CB-CD1 3.95Å; A310-K353 HydrophobicContact CB-CB 3.7Å; A310-A354 HydrophobicContact CB-CB 4.41Å; A310-Q357 HydrophobicContact CB-CG 4.41Å |
| 311 | M | 87.6 | Confident | 86.3 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 24% | 0.241 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -47.5 | 175.6 | 179.3 | 61.8 | 92.7 | 0 | 0 | 111.1 | Q307 D308 V309 V314 K315 Q357 | Q307-M311 PolarHBondContact O-N 3.44Å; D308-M311 PolarHBondContact O-N 2.98Å; V309-M311 PolarHBondContact O-N 3.31Å; M311-V314 PolarHBondContact O-N 2.82Å; M311-K315 HydrophobicContact CG-CD 4.48Å; M311-K315 WeakPolarHBondContact O-CG 3.48Å; M311-K315 PolarHBondContact O-N 3.32Å; M311-K315 HydrophobicContact SD-CG 4.43Å; M311-Q357 HydrophobicContact CB-CB 4.38Å; M311-Q357 HydrophobicContact CB-CG 3.97Å; M311-Q357 HydrophobicContact CE-CB 4.25Å; M311-Q357 HydrophobicContact CE-CG 4.32Å; M311-Q357 HydrophobicContact SD-CB 4.01Å; M311-Q357 HydrophobicContact SD-CG 4.4Å |
| 312 | T | 88.8 | Confident | 86.1 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 10% | 0.104 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62 | -46.1 | -178.2 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | D308 V309 A310 K315 I316 E730 M733 I734 | D308-T312 WeakPolarHBondContact O-CB 3.44Å; D308-T312 PolarHBondContact O-N 3Å; D308-T312 PolarHBondContact O-OG1 3.25Å; V309-T312 PolarHBondContact O-N 3.39Å; A310-T312 PolarHBondContact O-N 3.3Å; T312-K315 WeakPolarHBondContact O-CB 3.32Å; T312-K315 PolarHBondContact O-N 3.46Å; T312-I316 HydrophobicContact CG2-CD1 4.23Å; T312-I316 WeakPolarHBondContact O-CG1 3Å; T312-I316 PolarHBondContact O-N 3.48Å; T312-E730 HydrophobicContact CG2-CB 4.02Å; T312-E730 HydrophobicContact CG2-CG 4.38Å; T312-E730 WeakPolarHBondContact CG2-O 3.29Å; T312-M733 HydrophobicContact CG2-CB 3.97Å; T312-I734 HydrophobicContact CG2-CD1 3.64Å; T312-I734 HydrophobicContact CG2-CG1 3.74Å |
| 313 | L | 92.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | 176.7 | -69.1 | 172.4 | 0 | 0 | 0 | 111.6 | L278 L294 L297 V309 A310 K315 I316 Y317 F326 L350 I734 | L278-L313 HydrophobicContact CD1-CD2 4.49Å; L294-L313 HydrophobicContact CD2-CD1 4.2Å; L294-L313 HydrophobicContact CD2-CD2 4.11Å; L297-L313 HydrophobicContact CD2-CD1 3.97Å; L297-L313 HydrophobicContact CD2-CD2 3.92Å; L297-L313 HydrophobicContact CD2-CG 4.34Å; V309-L313 HydrophobicContact CG1-CD1 3.85Å; V309-L313 HydrophobicContact CG1-CG 4.28Å; V309-L313 WeakPolarHBondContact O-CG 3.3Å; V309-L313 PolarHBondContact O-N 3.47Å; A310-L313 PolarHBondContact O-N 2.89Å; L313-K315 VanDerWaalsContact C-N 3.25Å; L313-K315 PolarHBondContact O-N 3.42Å; L313-I316 PolarHBondContact O-N 2.93Å; L313-I316 VanDerWaalsContact O-N 3.15Å; L313-Y317 HydrophobicContact CB-CD2 4.45Å; L313-Y317 HydrophobicContact CD2-CE2 4.32Å; L313-Y317 WeakPolarHBondContact O-CD2 3.45Å; L313-Y317 PolarHBondContact O-N 3.24Å; L313-F326 HydrophobicContact CB-CE1 4.33Å; L313-F326 HydrophobicContact CB-CE2 4.21Å; L313-F326 HydrophobicContact CB-CZ 3.67Å; L313-F326 HydrophobicContact CD1-CE2 4.35Å; L313-F326 HydrophobicContact CD1-CZ 4.22Å; L313-L350 HydrophobicContact CD1-CD1 4.37Å; L313-L350 HydrophobicContact CD1-CD2 4.16Å; L313-I734 HydrophobicContact CD2-CD1 3.84Å; L313-I734 HydrophobicContact CD2-CG1 4.29Å; L313-I734 HydrophobicContact CG-CD1 4Å |
| 314 | V | 90.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.8 | -44.6 | 176 | 165.5 | 0 | 0 | 0 | 0 | 110.8 | A310 M311 Y317 L318 F326 A354 Q357 F358 | A310-V314 WeakPolarHBondContact O-CB 3.34Å; A310-V314 VanDerWaalsContact O-CG2 3.24Å; A310-V314 WeakPolarHBondContact O-CG2 3.36Å; A310-V314 PolarHBondContact O-N 3.37Å; M311-V314 PolarHBondContact O-N 2.82Å; V314-Y317 PolarHBondContact O-N 3.33Å; V314-L318 HydrophobicContact CG1-CD1 3.69Å; V314-L318 HydrophobicContact CG1-CG 4.33Å; V314-L318 VanDerWaalsContact O-CB 3.3Å; V314-L318 WeakPolarHBondContact O-CB 3.4Å; V314-L318 WeakPolarHBondContact O-CD1 3.41Å; V314-L318 WeakPolarHBondContact O-CG 3.38Å; V314-L318 PolarHBondContact O-N 2.73Å; V314-F326 HydrophobicContact CG2-CE1 4.05Å; V314-A354 HydrophobicContact CG2-CB 4.1Å; V314-A354 WeakPolarHBondContact CG2-O 3.45Å; V314-Q357 HydrophobicContact CG2-CB 4.43Å; V314-F358 HydrophobicContact CG1-CB 4.09Å; V314-F358 HydrophobicContact CG2-CB 4.29Å |
| 315 | K | 85.3 | Confident | 86.9 | Confident | 47 Ų | 47 | 28.5 Ų | 28.5 | 20% | 0.204 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 176 | -77.3 | -173 | 173.7 | -164 | 0 | 112.7 | M311 T312 L313 Y317 L318 G319 L725 E730 | M311-K315 HydrophobicContact CG-CD 4.48Å; M311-K315 WeakPolarHBondContact O-CG 3.48Å; M311-K315 PolarHBondContact O-N 3.32Å; M311-K315 HydrophobicContact SD-CG 4.43Å; T312-K315 WeakPolarHBondContact O-CB 3.32Å; T312-K315 PolarHBondContact O-N 3.46Å; L313-K315 VanDerWaalsContact C-N 3.25Å; L313-K315 PolarHBondContact O-N 3.42Å; K315-Y317 PolarHBondContact O-N 3.28Å; K315-L318 PolarHBondContact O-N 3.24Å; K315-G319 PolarHBondContact O-N 3.29Å; K315-L725 HydrophobicContact CB-CD2 3.46Å; K315-L725 VanDerWaalsContact CB-CD2 3.46Å; K315-L725 HydrophobicContact CD-CD2 4.14Å; K315-L725 HydrophobicContact CG-CD2 3.6Å; K315-L725 WeakPolarHBondContact O-CD2 3.35Å; K315-E730 HydrophobicContact CB-CG 3.79Å; K315-E730 HydrophobicContact CD-CG 4.08Å |
| 316 | I | 86.3 | Confident | 87.4 | Confident | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.8 | -52.3 | 176.3 | -68.9 | 170.2 | 0 | 0 | 0 | 110.3 | I275 T312 L313 L318 G319 Q320 E730 I734 | I275-I316 HydrophobicContact CD1-CD1 4.3Å; I275-I316 HydrophobicContact CD1-CG2 3.62Å; T312-I316 HydrophobicContact CG2-CD1 4.23Å; T312-I316 WeakPolarHBondContact O-CG1 3Å; T312-I316 PolarHBondContact O-N 3.48Å; L313-I316 PolarHBondContact O-N 2.93Å; L313-I316 VanDerWaalsContact O-N 3.15Å; I316-L318 PolarHBondContact O-N 2.9Å; I316-G319 CarbonylContact O-C 3.49Å; I316-G319 WeakPolarHBondContact O-CA 3.45Å; I316-G319 PolarHBondContact O-N 3.16Å; I316-G319 VanDerWaalsContact O-N 3.08Å; I316-Q320 HydrophobicContact CG2-CG 4.44Å; I316-Q320 WeakPolarHBondContact O-CG 3.32Å; I316-Q320 PolarHBondContact O-N 3.13Å; I316-E730 HydrophobicContact CD1-CB 4.19Å; I316-E730 HydrophobicContact CG1-CB 3.69Å; I316-E730 HydrophobicContact CG1-CG 4.46Å; I316-I734 HydrophobicContact CD1-CG1 3.71Å |
| 317 | Y | 88.2 | Confident | 87.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72.1 | -28.1 | -176.3 | -75.4 | -77.8 | 0 | 0 | 0 | 113.5 | L278 V279 V282 L294 L313 V314 K315 G319 Q320 G321 L322 V323 F326 | L278-Y317 PolarHBondContact O-OH 2.92Å; V279-Y317 HydrophobicContact CG2-CE1 4.35Å; V282-Y317 HydrophobicContact CB-CE1 4.25Å; V282-Y317 HydrophobicContact CG2-CE1 3.65Å; V282-Y317 WeakPolarHBondContact CG2-OH 3.38Å; L294-Y317 HydrophobicContact CD2-CE2 4.36Å; L313-Y317 HydrophobicContact CB-CD2 4.45Å; L313-Y317 HydrophobicContact CD2-CE2 4.32Å; L313-Y317 WeakPolarHBondContact O-CD2 3.45Å; L313-Y317 PolarHBondContact O-N 3.24Å; V314-Y317 PolarHBondContact O-N 3.33Å; K315-Y317 PolarHBondContact O-N 3.28Å; Y317-G319 VanDerWaalsContact C-N 3.34Å; Y317-Q320 PolarHBondContact O-N 3.02Å; Y317-G321 PolarHBondContact O-N 3.06Å; Y317-G321 VanDerWaalsContact O-N 3.16Å; Y317-L322 HydrophobicContact CD1-CB 3.87Å; Y317-L322 CarbonylContact O-C 3.48Å; Y317-L322 PolarHBondContact O-N 3.3Å; Y317-V323 PolarHBondContact O-N 3.24Å; Y317-V323 VanDerWaalsContact O-N 3.09Å; Y317-F326 HydrophobicContact CD1-CB 3.68Å; Y317-F326 HydrophobicContact CD1-CD2 4.5Å; Y317-F326 HydrophobicContact CD1-CG 4.17Å; Y317-F326 HydrophobicContact CD2-CB 3.85Å; Y317-F326 AromaticContact CD2-CD1 3.79Å; Y317-F326 HydrophobicContact CD2-CD1 3.79Å; Y317-F326 AromaticContact CD2-CD2 3.42Å; Y317-F326 HydrophobicContact CD2-CD2 3.42Å; Y317-F326 VanDerWaalsContact CD2-CD2 3.42Å; Y317-F326 HydrophobicContact CD2-CE1 4.18Å; Y317-F326 AromaticContact CD2-CE2 3.84Å; Y317-F326 HydrophobicContact CD2-CE2 3.84Å; Y317-F326 AromaticContact CD2-CG 3.38Å; Y317-F326 HydrophobicContact CD2-CG 3.38Å; Y317-F326 HydrophobicContact CD2-CZ 4.19Å; Y317-F326 HydrophobicContact CE1-CB 4.08Å; Y317-F326 HydrophobicContact CE1-CD2 4.38Å; Y317-F326 HydrophobicContact CE1-CG 4.47Å; Y317-F326 HydrophobicContact CE2-CB 4.26Å; Y317-F326 HydrophobicContact CE2-CD1 4.5Å; Y317-F326 AromaticContact CE2-CD2 3.29Å; Y317-F326 HydrophobicContact CE2-CD2 3.29Å; Y317-F326 AromaticContact CE2-CE2 3.64Å; Y317-F326 HydrophobicContact CE2-CE2 3.64Å; Y317-F326 AromaticContact CE2-CG 3.76Å; Y317-F326 HydrophobicContact CE2-CG 3.76Å; Y317-F326 HydrophobicContact CE2-CZ 4.38Å; Y317-F326 HydrophobicContact CG-CB 3.56Å; Y317-F326 HydrophobicContact CG-CD1 4.09Å; Y317-F326 HydrophobicContact CG-CD2 4.07Å; Y317-F326 AromaticContact CG-CG 3.63Å; Y317-F326 HydrophobicContact CG-CG 3.63Å; Y317-F326 AromaticContact CZ-CD2 3.8Å |
| 318 | L | 83.4 | Confident | 87.8 | Confident | 26 Ų | 26 | 23.5 Ų | 23.5 | 14% | 0.136 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.4 | -45.8 | 166.1 | -79.6 | 165.8 | 0 | 0 | 0 | 110.4 | V314 K315 I316 Q320 G321 V323 A361 V362 V565 L725 | V314-L318 HydrophobicContact CG1-CD1 3.69Å; V314-L318 HydrophobicContact CG1-CG 4.33Å; V314-L318 VanDerWaalsContact O-CB 3.3Å; V314-L318 WeakPolarHBondContact O-CB 3.4Å; V314-L318 WeakPolarHBondContact O-CD1 3.41Å; V314-L318 WeakPolarHBondContact O-CG 3.38Å; V314-L318 PolarHBondContact O-N 2.73Å; K315-L318 PolarHBondContact O-N 3.24Å; I316-L318 PolarHBondContact O-N 2.9Å; L318-Q320 VanDerWaalsContact C-N 3.29Å; L318-Q320 PolarHBondContact O-N 3.46Å; L318-G321 PolarHBondContact O-N 3.15Å; L318-G321 VanDerWaalsContact O-N 3.12Å; L318-V323 HydrophobicContact CD2-CB 3.94Å; L318-V323 HydrophobicContact CD2-CG1 3.74Å; L318-V323 HydrophobicContact CD2-CG2 4.03Å; L318-V323 HydrophobicContact CG-CB 4.05Å; L318-V323 HydrophobicContact CG-CG1 4.41Å; L318-V323 HydrophobicContact CG-CG2 3.91Å; L318-A361 HydrophobicContact CD1-CB 4.13Å; L318-V362 HydrophobicContact CD2-CG2 4.1Å; L318-V565 HydrophobicContact CB-CG2 4.26Å; L318-V565 HydrophobicContact CD1-CG1 4.46Å; L318-V565 HydrophobicContact CD1-CG2 4.2Å; L318-L725 HydrophobicContact CB-CD1 3.98Å |
| 319 | G | 76.1 | Confident | 88.2 | Confident | 11 Ų | 11 | 21.4 Ų | 21.4 | 11% | 0.113 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.7 | -28.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | K315 I316 Y317 L725 | K315-G319 PolarHBondContact O-N 3.29Å; I316-G319 CarbonylContact O-C 3.49Å; I316-G319 WeakPolarHBondContact O-CA 3.45Å; I316-G319 PolarHBondContact O-N 3.16Å; I316-G319 VanDerWaalsContact O-N 3.08Å; Y317-G319 VanDerWaalsContact C-N 3.34Å; G319-L725 VanDerWaalsContact CA-CD1 3.42Å; G319-L725 VanDerWaalsContact N-CD1 3.31Å |
| 320 | Q | 80.3 | Confident | 88.3 | Confident | 71 Ų | 71 | 21.5 Ų | 21.5 | 33% | 0.332 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -5.8 | 174.7 | -61.1 | -58.5 | -32.5 | 0 | 0 | 113.4 | V279 I316 Y317 L318 L322 | V279-Q320 HydrophobicContact CG2-CG 4.36Å; I316-Q320 HydrophobicContact CG2-CG 4.44Å; I316-Q320 WeakPolarHBondContact O-CG 3.32Å; I316-Q320 PolarHBondContact O-N 3.13Å; Y317-Q320 PolarHBondContact O-N 3.02Å; L318-Q320 VanDerWaalsContact C-N 3.29Å; L318-Q320 PolarHBondContact O-N 3.46Å; Q320-L322 VanDerWaalsContact C-N 3.27Å; Q320-L322 HydrophobicContact CB-CB 4.39Å; Q320-L322 HydrophobicContact CB-CD1 4.15Å; Q320-L322 HydrophobicContact CB-CG 4.3Å; Q320-L322 PolarHBondContact O-N 3Å |
| 321 | G | 79.9 | Confident | 88.4 | Confident | 48 Ų | 48 | 21.7 Ų | 21.7 | 50% | 0.495 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 22 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | Y317 L318 | Y317-G321 PolarHBondContact O-N 3.06Å; Y317-G321 VanDerWaalsContact O-N 3.16Å; L318-G321 PolarHBondContact O-N 3.15Å; L318-G321 VanDerWaalsContact O-N 3.12Å |
| 322 | L | 87.1 | Confident | 88.6 | Confident | 37 Ų | 37 | 20.6 Ų | 20.6 | 19% | 0.194 | 12% | 0.123 | C | C | . | . | trans | -119.4 | 15.7 | -173.4 | -67.4 | 174.4 | 0 | 0 | 0 | 113 | V279 I283 Y317 Q320 V324 P325 F326 | V279-L322 HydrophobicContact CG1-CD1 3.66Å; V279-L322 HydrophobicContact CG2-CD1 4.22Å; I283-L322 HydrophobicContact CD1-CD1 3.87Å; I283-L322 HydrophobicContact CD1-CD2 4.46Å; I283-L322 HydrophobicContact CG1-CD1 4.26Å; Y317-L322 HydrophobicContact CD1-CB 3.87Å; Y317-L322 CarbonylContact O-C 3.48Å; Y317-L322 PolarHBondContact O-N 3.3Å; Q320-L322 VanDerWaalsContact C-N 3.27Å; Q320-L322 HydrophobicContact CB-CB 4.39Å; Q320-L322 HydrophobicContact CB-CD1 4.15Å; Q320-L322 HydrophobicContact CB-CG 4.3Å; Q320-L322 PolarHBondContact O-N 3Å; L322-V324 VanDerWaalsContact C-N 3.34Å; L322-V324 PolarHBondContact O-N 2.72Å; L322-P325 HydrophobicContact CD2-CG 4.42Å; L322-P325 WeakPolarHBondContact O-CD 3.49Å; L322-F326 WeakPolarHBondContact O-CB 3.33Å; L322-F326 PolarHBondContact O-N 2.95Å | ||
| 323 | V | 88.9 | Confident | 88.6 | Confident | 8 Ų | 8 | 21.3 Ų | 21.3 | 5% | 0.048 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.9 | -39.6 | -176.8 | 72 | 0 | 0 | 0 | 0 | 113.4 | Y317 L318 F326 L327 F358 V440 | Y317-V323 PolarHBondContact O-N 3.24Å; Y317-V323 VanDerWaalsContact O-N 3.09Å; L318-V323 HydrophobicContact CD2-CB 3.94Å; L318-V323 HydrophobicContact CD2-CG1 3.74Å; L318-V323 HydrophobicContact CD2-CG2 4.03Å; L318-V323 HydrophobicContact CG-CB 4.05Å; L318-V323 HydrophobicContact CG-CG1 4.41Å; L318-V323 HydrophobicContact CG-CG2 3.91Å; V323-F326 PolarHBondContact O-N 2.98Å; V323-L327 HydrophobicContact CG2-CD1 4.08Å; V323-L327 HydrophobicContact CG2-CG 4.33Å; V323-L327 VanDerWaalsContact O-CG 3.27Å; V323-L327 WeakPolarHBondContact O-CG 3.47Å; V323-L327 PolarHBondContact O-N 3.25Å; V323-F358 HydrophobicContact CG1-CE2 4.09Å; V323-F358 HydrophobicContact CG2-CD2 3.72Å; V323-F358 HydrophobicContact CG2-CE2 3.96Å; V323-V440 HydrophobicContact CG1-CG2 3.89Å |
| 324 | V | 90.4 | Very high | 88.6 | Confident | 13 Ų | 13 | 22.3 Ų | 22.3 | 8% | 0.079 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.9 | -51.5 | -179.3 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | L322 F326 L327 D328 V440 V443 Q447 | L322-V324 VanDerWaalsContact C-N 3.34Å; L322-V324 PolarHBondContact O-N 2.72Å; V324-F326 VanDerWaalsContact C-N 3.26Å; V324-F326 PolarHBondContact O-N 2.93Å; V324-L327 PolarHBondContact O-N 3.5Å; V324-D328 VanDerWaalsContact O-CB 3.29Å; V324-D328 WeakPolarHBondContact O-CB 3.43Å; V324-D328 PolarHBondContact O-N 3.45Å; V324-V440 HydrophobicContact CG2-CG2 3.57Å; V324-V443 HydrophobicContact CG1-CG1 3.92Å; V324-Q447 HydrophobicContact CG1-CG 4.47Å |
| 325 | P | 91.2 | Very high | 88.7 | Confident | 56 Ų | 56 | 22.3 Ų | 22.3 | 36% | 0.364 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -52.7 | -41.4 | 170.6 | -29.7 | 34.9 | 0 | 0 | 0 | 113.9 | V282 L322 D328 Y329 | V282-P325 HydrophobicContact CG1-CB 3.35Å; L322-P325 HydrophobicContact CD2-CG 4.42Å; L322-P325 WeakPolarHBondContact O-CD 3.49Å; P325-D328 PolarHBondContact O-N 3.39Å; P325-Y329 WeakPolarHBondContact O-CB 3.24Å; P325-Y329 PolarHBondContact O-N 2.61Å |
| 326 | F | 93.4 | Very high | 89 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.8 | -48.2 | 179 | 161.2 | -107.9 | 0 | 0 | 0 | 112.8 | V282 L294 L313 V314 Y317 L322 V323 V324 D328 Y329 L330 A354 | V282-F326 HydrophobicContact CG1-CB 4.42Å; V282-F326 HydrophobicContact CG2-CB 4.21Å; V282-F326 HydrophobicContact CG2-CD2 4.31Å; L294-F326 HydrophobicContact CD1-CD2 3.98Å; L294-F326 HydrophobicContact CD1-CE2 4.11Å; L294-F326 HydrophobicContact CD2-CE2 4.25Å; L313-F326 HydrophobicContact CB-CE1 4.33Å; L313-F326 HydrophobicContact CB-CE2 4.21Å; L313-F326 HydrophobicContact CB-CZ 3.67Å; L313-F326 HydrophobicContact CD1-CE2 4.35Å; L313-F326 HydrophobicContact CD1-CZ 4.22Å; V314-F326 HydrophobicContact CG2-CE1 4.05Å; Y317-F326 HydrophobicContact CD1-CB 3.68Å; Y317-F326 HydrophobicContact CD1-CD2 4.5Å; Y317-F326 HydrophobicContact CD1-CG 4.17Å; Y317-F326 HydrophobicContact CD2-CB 3.85Å; Y317-F326 AromaticContact CD2-CD1 3.79Å; Y317-F326 HydrophobicContact CD2-CD1 3.79Å; Y317-F326 AromaticContact CD2-CD2 3.42Å; Y317-F326 HydrophobicContact CD2-CD2 3.42Å; Y317-F326 VanDerWaalsContact CD2-CD2 3.42Å; Y317-F326 HydrophobicContact CD2-CE1 4.18Å; Y317-F326 AromaticContact CD2-CE2 3.84Å; Y317-F326 HydrophobicContact CD2-CE2 3.84Å; Y317-F326 AromaticContact CD2-CG 3.38Å; Y317-F326 HydrophobicContact CD2-CG 3.38Å; Y317-F326 HydrophobicContact CD2-CZ 4.19Å; Y317-F326 HydrophobicContact CE1-CB 4.08Å; Y317-F326 HydrophobicContact CE1-CD2 4.38Å; Y317-F326 HydrophobicContact CE1-CG 4.47Å; Y317-F326 HydrophobicContact CE2-CB 4.26Å; Y317-F326 HydrophobicContact CE2-CD1 4.5Å; Y317-F326 AromaticContact CE2-CD2 3.29Å; Y317-F326 HydrophobicContact CE2-CD2 3.29Å; Y317-F326 AromaticContact CE2-CE2 3.64Å; Y317-F326 HydrophobicContact CE2-CE2 3.64Å; Y317-F326 AromaticContact CE2-CG 3.76Å; Y317-F326 HydrophobicContact CE2-CG 3.76Å; Y317-F326 HydrophobicContact CE2-CZ 4.38Å; Y317-F326 HydrophobicContact CG-CB 3.56Å; Y317-F326 HydrophobicContact CG-CD1 4.09Å; Y317-F326 HydrophobicContact CG-CD2 4.07Å; Y317-F326 AromaticContact CG-CG 3.63Å; Y317-F326 HydrophobicContact CG-CG 3.63Å; Y317-F326 AromaticContact CZ-CD2 3.8Å; L322-F326 WeakPolarHBondContact O-CB 3.33Å; L322-F326 PolarHBondContact O-N 2.95Å; V323-F326 PolarHBondContact O-N 2.98Å; V324-F326 VanDerWaalsContact C-N 3.26Å; V324-F326 PolarHBondContact O-N 2.93Å; F326-D328 VanDerWaalsContact C-N 3.3Å; F326-D328 PolarHBondContact O-N 2.95Å; F326-Y329 PolarHBondContact O-N 2.86Å; F326-L330 HydrophobicContact CD2-CD1 4.34Å; F326-L330 HydrophobicContact CD2-CG 4.41Å; F326-L330 HydrophobicContact CE1-CD1 4.06Å; F326-L330 HydrophobicContact CE2-CD1 3.51Å; F326-L330 HydrophobicContact CE2-CG 3.94Å; F326-L330 HydrophobicContact CZ-CD1 3.34Å; F326-L330 HydrophobicContact CZ-CG 4.24Å; F326-L330 PolarHBondContact O-N 3.34Å; F326-L330 VanDerWaalsContact O-N 3.14Å; F326-A354 HydrophobicContact CE1-CB 4.14Å; F326-A354 HydrophobicContact CZ-CB 4.31Å |
| 327 | L | 94.1 | Very high | 89 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.2 | -39.5 | 177.6 | -68.7 | 172.3 | 0 | 0 | 0 | 111 | V323 V324 L330 N331 A354 M355 F358 A444 | V323-L327 HydrophobicContact CG2-CD1 4.08Å; V323-L327 HydrophobicContact CG2-CG 4.33Å; V323-L327 VanDerWaalsContact O-CG 3.27Å; V323-L327 WeakPolarHBondContact O-CG 3.47Å; V323-L327 PolarHBondContact O-N 3.25Å; V324-L327 PolarHBondContact O-N 3.5Å; L327-L330 PolarHBondContact O-N 2.94Å; L327-N331 WeakPolarHBondContact O-CB 3.47Å; L327-N331 PolarHBondContact O-N 3.01Å; L327-N331 PolarHBondContact O-ND2 3.11Å; L327-N331 VanDerWaalsContact O-ND2 3.14Å; L327-A354 HydrophobicContact CD2-CB 3.94Å; L327-M355 HydrophobicContact CB-SD 4.22Å; L327-M355 HydrophobicContact CD1-SD 3.93Å; L327-M355 HydrophobicContact CD2-CG 4.35Å; L327-M355 HydrophobicContact CD2-SD 3.93Å; L327-M355 HydrophobicContact CG-SD 4.24Å; L327-F358 HydrophobicContact CD1-CB 4.02Å; L327-F358 HydrophobicContact CD1-CD1 3.51Å; L327-F358 HydrophobicContact CD1-CD2 3.86Å; L327-F358 HydrophobicContact CD1-CE1 3.84Å; L327-F358 HydrophobicContact CD1-CE2 4.15Å; L327-F358 HydrophobicContact CD1-CG 3.51Å; L327-F358 HydrophobicContact CD1-CZ 4.14Å; L327-F358 HydrophobicContact CD2-CB 4.39Å; L327-A444 HydrophobicContact CD1-CB 4.28Å |
| 328 | D | 92.9 | Very high | 89.1 | Confident | 27 Ų | 27 | 29 Ų | 29 | 14% | 0.144 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 176.2 | -177.3 | 61 | 0 | 0 | 0 | 112.1 | V324 P325 F326 N331 T332 Q447 R451 | V324-D328 VanDerWaalsContact O-CB 3.29Å; V324-D328 WeakPolarHBondContact O-CB 3.43Å; V324-D328 PolarHBondContact O-N 3.45Å; P325-D328 PolarHBondContact O-N 3.39Å; F326-D328 VanDerWaalsContact C-N 3.3Å; F326-D328 PolarHBondContact O-N 2.95Å; D328-N331 PolarHBondContact O-N 2.74Å; D328-T332 VanDerWaalsContact O-CB 3.3Å; D328-T332 WeakPolarHBondContact O-CB 3.46Å; D328-T332 PolarHBondContact O-N 3.23Å; D328-T332 PolarHBondContact O-OG1 2.96Å; D328-Q447 HydrophobicContact CB-CB 4.46Å; D328-R451 VanDerWaalsContact CG-CZ 3.4Å; D328-R451 IonicContact OD1-CZ 3.2Å; D328-R451 IonicContact OD1-NE 2.67Å; D328-R451 IonicContact OD1-NH1 3.25Å; D328-R451 PolarHBondContact OD1-NH1 2.85Å; D328-R451 VanDerWaalsContact OD1-NH1 3.11Å; D328-R451 IonicContact OD1-NH2 3.92Å; D328-R451 PolarHBondContact OD1-NH2 2.75Å; D328-R451 IonicContact OD2-CZ 3.22Å; D328-R451 IonicContact OD2-NH1 3.92Å; D328-R451 PolarHBondContact OD2-NH1 3.44Å; D328-R451 IonicContact OD2-NH2 3.91Å; D328-R451 PolarHBondContact OD2-NH2 2.99Å |
| 329 | Y | 92.3 | Very high | 89.3 | Confident | 30 Ų | 30 | 34 Ų | 34 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.8 | -51.3 | 173.8 | 173.1 | -98.6 | 0 | 0 | 0 | 112.1 | P285 S292 L294 T295 P325 F326 R333 | P285-Y329 HydrophobicContact CB-CE2 4.44Å; S292-Y329 WeakPolarHBondContact CB-OH 3.28Å; S292-Y329 PolarHBondContact OG-OH 3.15Å; L294-Y329 HydrophobicContact CB-CE1 3.97Å; L294-Y329 HydrophobicContact CD1-CD1 3.75Å; L294-Y329 HydrophobicContact CD1-CE1 3.76Å; T295-Y329 WeakPolarHBondContact CG2-OH 3.26Å; P325-Y329 WeakPolarHBondContact O-CB 3.24Å; P325-Y329 PolarHBondContact O-N 2.61Å; F326-Y329 PolarHBondContact O-N 2.86Å; Y329-R333 PolarHBondContact O-N 3.14Å |
| 330 | L | 93.1 | Very high | 89.7 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66 | -44.4 | -179.6 | -68.9 | -175.5 | 0 | 0 | 0 | 112.4 | F326 L327 T332 R333 E334 L350 A351 A354 | F326-L330 HydrophobicContact CD2-CD1 4.34Å; F326-L330 HydrophobicContact CD2-CG 4.41Å; F326-L330 HydrophobicContact CE1-CD1 4.06Å; F326-L330 HydrophobicContact CE2-CD1 3.51Å; F326-L330 HydrophobicContact CE2-CG 3.94Å; F326-L330 HydrophobicContact CZ-CD1 3.34Å; F326-L330 HydrophobicContact CZ-CG 4.24Å; F326-L330 PolarHBondContact O-N 3.34Å; F326-L330 VanDerWaalsContact O-N 3.14Å; L327-L330 PolarHBondContact O-N 2.94Å; L330-T332 VanDerWaalsContact C-N 3.32Å; L330-T332 PolarHBondContact O-N 3.41Å; L330-R333 PolarHBondContact O-N 3.42Å; L330-E334 PolarHBondContact O-N 3.37Å; L330-E334 VanDerWaalsContact O-N 3.08Å; L330-L350 HydrophobicContact CD1-CD2 4.35Å; L330-L350 HydrophobicContact CD1-CG 4.08Å; L330-L350 HydrophobicContact CD2-CD2 4.17Å; L330-A351 HydrophobicContact CB-CB 3.62Å; L330-A354 HydrophobicContact CD1-CB 3.88Å |
| 331 | N | 93.7 | Very high | 90 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.5 | -38.5 | -179.2 | -72.5 | -24 | 0 | 0 | 0 | 111.5 | L327 D328 E334 V335 F345 L448 | L327-N331 WeakPolarHBondContact O-CB 3.47Å; L327-N331 PolarHBondContact O-N 3.01Å; L327-N331 PolarHBondContact O-ND2 3.11Å; L327-N331 VanDerWaalsContact O-ND2 3.14Å; D328-N331 PolarHBondContact O-N 2.74Å; N331-E334 PolarHBondContact O-N 3.27Å; N331-V335 WeakPolarHBondContact O-CB 3.25Å; N331-V335 WeakPolarHBondContact O-CG2 3.18Å; N331-V335 PolarHBondContact O-N 3.36Å; N331-F345 HydrophobicContact CB-CZ 4.25Å; N331-L448 HydrophobicContact CB-CD1 4.04Å |
| 332 | T | 92.2 | Very high | 90.2 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 17% | 0.166 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -45.7 | 177.8 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | D328 L330 E334 V335 N336 R451 | D328-T332 VanDerWaalsContact O-CB 3.3Å; D328-T332 WeakPolarHBondContact O-CB 3.46Å; D328-T332 PolarHBondContact O-N 3.23Å; D328-T332 PolarHBondContact O-OG1 2.96Å; L330-T332 VanDerWaalsContact C-N 3.32Å; L330-T332 PolarHBondContact O-N 3.41Å; T332-E334 PolarHBondContact O-N 3.18Å; T332-V335 PolarHBondContact O-N 2.96Å; T332-N336 WeakPolarHBondContact O-CB 3.3Å; T332-N336 PolarHBondContact O-N 3.26Å; T332-N336 PolarHBondContact O-OD1 3.18Å; T332-R451 WeakPolarHBondContact OG1-CD 3.4Å; T332-R451 PolarHBondContact OG1-NH1 2.79Å |
| 333 | R | 89.9 | Confident | 90.2 | Very high | 31 Ų | 31 | 38.2 Ų | 38.2 | 12% | 0.117 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 176.1 | -69.9 | 179 | 68.7 | -124.9 | -2.8 | 111.9 | E298 Y329 L330 N336 H337 | E298-R333 IonicContact OE2-CZ 2.8Å; E298-R333 IonicContact OE2-NH1 3.11Å; E298-R333 PolarHBondContact OE2-NH1 2.86Å; Y329-R333 PolarHBondContact O-N 3.14Å; L330-R333 PolarHBondContact O-N 3.42Å; R333-N336 PolarHBondContact O-N 3.45Å; R333-H337 WeakPolarHBondContact O-CB 3.22Å; R333-H337 PolarHBondContact O-CD2 3.33Å; R333-H337 VanDerWaalsContact O-CG 3.3Å; R333-H337 PolarHBondContact O-N 3.16Å |
| 334 | E | 91.8 | Very high | 90.2 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.1 | -39.4 | 178.8 | -176.7 | 159.9 | -178.3 | 0 | 0 | 112.6 | L330 N331 T332 T338 F345 S349 A351 | L330-E334 PolarHBondContact O-N 3.37Å; L330-E334 VanDerWaalsContact O-N 3.08Å; N331-E334 PolarHBondContact O-N 3.27Å; T332-E334 PolarHBondContact O-N 3.18Å; E334-T338 WeakPolarHBondContact O-CB 3.25Å; E334-T338 PolarHBondContact O-N 3.44Å; E334-T338 VanDerWaalsContact O-N 3.16Å; E334-T338 PolarHBondContact O-OG1 2.99Å; E334-F345 HydrophobicContact CB-CE1 3.93Å; E334-F345 HydrophobicContact CB-CZ 4.41Å; E334-F345 VanDerWaalsContact CD-CE1 3.45Å; E334-F345 HydrophobicContact CG-CD1 3.99Å; E334-F345 HydrophobicContact CG-CE1 3.77Å; E334-F345 HydrophobicContact CG-CZ 4.39Å; E334-F345 WeakPolarHBondContact OE1-CA 3.49Å; E334-F345 WeakPolarHBondContact OE1-CD1 3.41Å; E334-F345 VanDerWaalsContact OE2-CD1 3.3Å; E334-F345 WeakPolarHBondContact OE2-CD1 3.3Å; E334-F345 WeakPolarHBondContact OE2-CE1 3.25Å; E334-S349 PolarHBondContact OE1-OG 3.49Å; E334-S349 VanDerWaalsContact OE1-OG 3.08Å; E334-S349 VanDerWaalsContact OE2-CB 3.25Å; E334-S349 WeakPolarHBondContact OE2-CB 3.47Å; E334-S349 PolarHBondContact OE2-OG 3.04Å; E334-A351 HydrophobicContact CB-CB 4.24Å; E334-A351 WeakPolarHBondContact OE2-CB 3.49Å |
| 335 | V | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.8 | -47.8 | 175.3 | 170 | 0 | 0 | 0 | 0 | 110.8 | N331 T332 H337 T338 L344 F345 V452 Q455 F456 | N331-V335 WeakPolarHBondContact O-CB 3.25Å; N331-V335 WeakPolarHBondContact O-CG2 3.18Å; N331-V335 PolarHBondContact O-N 3.36Å; T332-V335 PolarHBondContact O-N 2.96Å; V335-H337 VanDerWaalsContact C-N 3.31Å; V335-H337 PolarHBondContact O-N 3.23Å; V335-T338 PolarHBondContact O-N 3.46Å; V335-T338 VanDerWaalsContact O-N 3.13Å; V335-L344 HydrophobicContact CG2-CD1 3.94Å; V335-F345 HydrophobicContact CG2-CE2 4.18Å; V335-F345 HydrophobicContact CG2-CZ 4.09Å; V335-V452 HydrophobicContact CG2-CG2 3.82Å; V335-Q455 HydrophobicContact CG1-CB 3.46Å; V335-Q455 VanDerWaalsContact CG1-CB 3.46Å; V335-Q455 HydrophobicContact CG1-CG 3.71Å; V335-F456 HydrophobicContact CG1-CE2 4.27Å |
| 336 | N | 90.3 | Very high | 89.9 | Confident | 61 Ų | 61 | 43 Ų | 43 | 33% | 0.326 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.7 | -36.6 | 179.4 | -69.5 | 0.3 | 0 | 0 | 0 | 112.4 | T332 R333 T338 | T332-N336 WeakPolarHBondContact O-CB 3.3Å; T332-N336 PolarHBondContact O-N 3.26Å; T332-N336 PolarHBondContact O-OD1 3.18Å; R333-N336 PolarHBondContact O-N 3.45Å; N336-T338 VanDerWaalsContact C-N 3.3Å |
| 337 | H | 88.1 | Confident | 89.3 | Confident | 114 Ų | 114 | 46.3 Ų | 46.3 | 53% | 0.528 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -78.3 | -12.9 | 178.2 | -72.8 | -167.3 | 0 | 0 | 0 | 113.6 | R333 V335 | R333-H337 WeakPolarHBondContact O-CB 3.22Å; R333-H337 PolarHBondContact O-CD2 3.33Å; R333-H337 VanDerWaalsContact O-CG 3.3Å; R333-H337 PolarHBondContact O-N 3.16Å; V335-H337 VanDerWaalsContact C-N 3.31Å; V335-H337 PolarHBondContact O-N 3.23Å |
| 338 | T | 89.1 | Confident | 88.9 | Confident | 16 Ų | 16 | 49.5 Ų | 49.5 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | trans | -88.1 | 116 | -178.6 | -61.8 | 0 | 0 | 0 | 0 | 110.6 | E334 V335 N336 D340 L344 F456 | E334-T338 WeakPolarHBondContact O-CB 3.25Å; E334-T338 PolarHBondContact O-N 3.44Å; E334-T338 VanDerWaalsContact O-N 3.16Å; E334-T338 PolarHBondContact O-OG1 2.99Å; V335-T338 PolarHBondContact O-N 3.46Å; V335-T338 VanDerWaalsContact O-N 3.13Å; N336-T338 VanDerWaalsContact C-N 3.3Å; T338-D340 WeakPolarHBondContact CG2-O 3.2Å; T338-L344 HydrophobicContact CG2-CB 4.04Å; T338-L344 HydrophobicContact CG2-CD1 4.06Å; T338-F456 HydrophobicContact CG2-CZ 4.25Å | ||
| 339 | T | 87.1 | Confident | 88.8 | Confident | 133 Ų | 133 | 48.9 Ų | 48.9 | 82% | 0.816 | 26% | 0.257 | S | S | * | . | trans | -90.2 | -37.2 | 176.4 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 340 | D | 86.6 | Confident | 88.8 | Confident | 66 Ų | 66 | 47.5 Ų | 47.5 | 35% | 0.353 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -99.7 | 114.7 | 176.8 | 176.1 | 7.6 | 0 | 0 | 0 | 109.8 | T338 N342 T343 | T338-D340 WeakPolarHBondContact CG2-O 3.2Å; D340-N342 PolarHBondContact O-N 2.8Å; D340-N342 WeakPolarHBondContact OD1-CB 3.27Å; D340-N342 PolarHBondContact OD1-N 3.33Å; D340-N342 PolarHBondContact OD1-ND2 3.47Å; D340-T343 HydrophobicContact CB-CG2 4.1Å; D340-T343 PolarHBondContact O-N 2.92Å; D340-T343 PolarHBondContact O-OG1 3.25Å |
| 341 | P | 85.9 | Confident | 88.8 | Confident | 25 Ų | 25 | 47.4 Ų | 47.4 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -52.6 | -30.8 | 177.7 | -23.4 | 29.9 | 0 | 0 | 0 | 113.9 | T343 L344 F456 N461 V464 | P341-T343 PolarHBondContact O-N 2.62Å; P341-L344 WeakPolarHBondContact O-CB 3.39Å; P341-L344 PolarHBondContact O-N 3.32Å; P341-F456 HydrophobicContact CB-CD1 4.45Å; P341-F456 HydrophobicContact CB-CE1 4.33Å; P341-F456 HydrophobicContact CG-CD1 3.72Å; P341-F456 HydrophobicContact CG-CE1 3.71Å; P341-F456 HydrophobicContact CG-CG 4.47Å; P341-F456 HydrophobicContact CG-CZ 4.45Å; P341-N461 WeakPolarHBondContact CG-OD1 3.48Å; P341-V464 HydrophobicContact CB-CG1 3.98Å; P341-V464 HydrophobicContact CB-CG2 3.68Å; P341-V464 HydrophobicContact CG-CG2 4.48Å |
| 342 | N | 84.2 | Confident | 88.8 | Confident | 94 Ų | 94 | 47.5 Ų | 47.5 | 50% | 0.503 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -70.1 | -12.9 | 178.8 | -64 | -70.4 | 0 | 0 | 0 | 113.1 | D340 R346 | D340-N342 PolarHBondContact O-N 2.8Å; D340-N342 WeakPolarHBondContact OD1-CB 3.27Å; D340-N342 PolarHBondContact OD1-N 3.33Å; D340-N342 PolarHBondContact OD1-ND2 3.47Å; N342-R346 WeakPolarHBondContact O-CD 3.48Å; N342-R346 PolarHBondContact O-NE 3.18Å; N342-R346 PolarHBondContact O-NH1 3.05Å |
| 343 | T | 87.1 | Confident | 88.9 | Confident | 69 Ų | 69 | 48 Ų | 48 | 42% | 0.423 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -100.1 | -9 | 179.3 | 64.8 | 0 | 0 | 0 | 0 | 113.3 | D340 P341 F345 R346 | D340-T343 HydrophobicContact CB-CG2 4.1Å; D340-T343 PolarHBondContact O-N 2.92Å; D340-T343 PolarHBondContact O-OG1 3.25Å; P341-T343 PolarHBondContact O-N 2.62Å; T343-F345 PolarHBondContact O-N 3.07Å; T343-R346 WeakPolarHBondContact O-CB 3.44Å; T343-R346 PolarHBondContact O-N 2.92Å |
| 344 | L | 89.6 | Confident | 89.1 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 9% | 0.094 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 124.4 | -175.5 | -174 | 64.8 | 0 | 0 | 0 | 111.7 | V335 T338 P341 R346 V452 F456 V464 A468 | V335-L344 HydrophobicContact CG2-CD1 3.94Å; T338-L344 HydrophobicContact CG2-CB 4.04Å; T338-L344 HydrophobicContact CG2-CD1 4.06Å; P341-L344 WeakPolarHBondContact O-CB 3.39Å; P341-L344 PolarHBondContact O-N 3.32Å; L344-R346 PolarHBondContact O-N 3.17Å; L344-V452 HydrophobicContact CD2-CG1 4.21Å; L344-V452 HydrophobicContact CD2-CG2 3.97Å; L344-F456 HydrophobicContact CD2-CE2 4.26Å; L344-V464 HydrophobicContact CD2-CG1 4.17Å; L344-A468 HydrophobicContact CD2-CB 4.14Å |
| 345 | F | 89.2 | Confident | 89.2 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 15.8 | -175.4 | -59 | -68.3 | 0 | 0 | 0 | 115.5 | N331 E334 V335 T343 A351 L448 F472 R476 | N331-F345 HydrophobicContact CB-CZ 4.25Å; E334-F345 HydrophobicContact CB-CE1 3.93Å; E334-F345 HydrophobicContact CB-CZ 4.41Å; E334-F345 VanDerWaalsContact CD-CE1 3.45Å; E334-F345 HydrophobicContact CG-CD1 3.99Å; E334-F345 HydrophobicContact CG-CE1 3.77Å; E334-F345 HydrophobicContact CG-CZ 4.39Å; E334-F345 WeakPolarHBondContact OE1-CA 3.49Å; E334-F345 WeakPolarHBondContact OE1-CD1 3.41Å; E334-F345 VanDerWaalsContact OE2-CD1 3.3Å; E334-F345 WeakPolarHBondContact OE2-CD1 3.3Å; E334-F345 WeakPolarHBondContact OE2-CE1 3.25Å; V335-F345 HydrophobicContact CG2-CE2 4.18Å; V335-F345 HydrophobicContact CG2-CZ 4.09Å; T343-F345 PolarHBondContact O-N 3.07Å; F345-A351 HydrophobicContact CE1-CB 4.17Å; F345-L448 HydrophobicContact CE2-CD1 3.63Å; F345-L448 HydrophobicContact CZ-CD1 3.73Å; F345-F472 HydrophobicContact CB-CE2 4.23Å; F345-F472 HydrophobicContact CB-CZ 3.93Å; F345-F472 HydrophobicContact CD1-CE2 4.08Å; F345-F472 AromaticContact CD1-CZ 3.68Å; F345-F472 HydrophobicContact CD1-CZ 3.68Å; F345-F472 AromaticContact CD2-CE2 3.78Å; F345-F472 HydrophobicContact CD2-CE2 3.78Å; F345-F472 HydrophobicContact CD2-CZ 4.17Å; F345-F472 HydrophobicContact CE1-CE2 4.43Å; F345-F472 HydrophobicContact CE1-CZ 4.25Å; F345-F472 HydrophobicContact CE2-CE2 4.22Å; F345-F472 AromaticContact CG-CE2 3.75Å; F345-F472 HydrophobicContact CG-CE2 3.75Å; F345-F472 AromaticContact CG-CZ 3.65Å; F345-F472 HydrophobicContact CG-CZ 3.65Å; F345-R476 PolarHBondContact O-NH2 3.07Å |
| 346 | R | 85.2 | Confident | 89.2 | Confident | 159 Ų | 159 | 46.9 Ų | 46.9 | 60% | 0.6 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -16.7 | 174.8 | -65.5 | -165.7 | 178.4 | 162.3 | 3.4 | 112.9 | N342 T343 L344 | N342-R346 WeakPolarHBondContact O-CD 3.48Å; N342-R346 PolarHBondContact O-NE 3.18Å; N342-R346 PolarHBondContact O-NH1 3.05Å; T343-R346 WeakPolarHBondContact O-CB 3.44Å; T343-R346 PolarHBondContact O-N 2.92Å; L344-R346 PolarHBondContact O-N 3.17Å |
| 347 | S | 81.3 | Confident | 89.2 | Confident | 68 Ų | 68 | 44.5 Ų | 44.5 | 48% | 0.476 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -78.1 | 164.1 | 179.6 | 81.2 | 0 | 0 | 0 | 0 | 112.2 | S349 S352 | S347-S349 VanDerWaalsContact C-N 3.26Å; S347-S349 PolarHBondContact O-N 3.31Å; S347-S349 VanDerWaalsContact O-N 3.13Å; S347-S352 PolarHBondContact O-OG 3.04Å |
| 348 | N | 85.3 | Confident | 89.3 | Confident | 69 Ų | 69 | 39 Ų | 39 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | trans | -84.4 | 69 | 170.8 | -173.7 | 15 | 0 | 0 | 0 | 109.9 | V303 R306 K353 | V303-N348 WeakPolarHBondContact CG1-ND2 3.29Å; R306-N348 VanDerWaalsContact CD-O 3.26Å; R306-N348 WeakPolarHBondContact CD-O 3.39Å; R306-N348 PolarHBondContact NH1-O 3.19Å; N348-K353 WeakPolarHBondContact OD1-CE 3.14Å | ||
| 349 | S | 90.7 | Very high | 89.4 | Confident | 14 Ų | 14 | 38.3 Ų | 38.3 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | trans | -92.9 | 164.7 | -177.7 | 64.5 | 0 | 0 | 0 | 0 | 112.9 | E334 S347 S352 K353 | E334-S349 PolarHBondContact OE1-OG 3.49Å; E334-S349 VanDerWaalsContact OE1-OG 3.08Å; E334-S349 VanDerWaalsContact OE2-CB 3.25Å; E334-S349 WeakPolarHBondContact OE2-CB 3.47Å; E334-S349 PolarHBondContact OE2-OG 3.04Å; S347-S349 VanDerWaalsContact C-N 3.26Å; S347-S349 PolarHBondContact O-N 3.31Å; S347-S349 VanDerWaalsContact O-N 3.13Å; S349-S352 PolarHBondContact N-OG 3.46Å; S349-S352 PolarHBondContact O-OG 2.99Å; S349-S352 VanDerWaalsContact O-OG 3.11Å; S349-S352 VanDerWaalsContact OG-CB 3.24Å; S349-S352 WeakPolarHBondContact OG-CB 3.43Å; S349-S352 PolarHBondContact OG-N 2.91Å; S349-S352 PolarHBondContact OG-OG 2.71Å; S349-K353 WeakPolarHBondContact O-CB 3.48Å; S349-K353 WeakPolarHBondContact O-CG 3.29Å; S349-K353 PolarHBondContact O-N 3.22Å | ||
| 350 | L | 92.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.7 | -38.4 | 172.7 | -174.8 | 61.3 | 0 | 0 | 0 | 111.5 | E298 R306 V309 A310 L313 L330 K353 A354 | E298-L350 HydrophobicContact CB-CD2 3.97Å; E298-L350 HydrophobicContact CG-CB 4.08Å; E298-L350 HydrophobicContact CG-CD2 4.17Å; E298-L350 VanDerWaalsContact OE1-CB 3.32Å; E298-L350 WeakPolarHBondContact OE1-CB 3.35Å; R306-L350 HydrophobicContact CG-CD1 4.49Å; V309-L350 HydrophobicContact CG1-CD1 4.25Å; A310-L350 HydrophobicContact CB-CD1 3.95Å; L313-L350 HydrophobicContact CD1-CD1 4.37Å; L313-L350 HydrophobicContact CD1-CD2 4.16Å; L330-L350 HydrophobicContact CD1-CD2 4.35Å; L330-L350 HydrophobicContact CD1-CG 4.08Å; L330-L350 HydrophobicContact CD2-CD2 4.17Å; L350-K353 PolarHBondContact O-N 3.24Å; L350-A354 VanDerWaalsContact O-CB 3.23Å; L350-A354 WeakPolarHBondContact O-CB 3.4Å; L350-A354 PolarHBondContact O-N 2.79Å |
| 351 | A | 93.6 | Very high | 89 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.8 | -45.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L330 E334 F345 K353 A354 M355 | L330-A351 HydrophobicContact CB-CB 3.62Å; E334-A351 HydrophobicContact CB-CB 4.24Å; E334-A351 WeakPolarHBondContact OE2-CB 3.49Å; F345-A351 HydrophobicContact CE1-CB 4.17Å; A351-K353 VanDerWaalsContact C-N 3.28Å; A351-K353 PolarHBondContact O-N 2.94Å; A351-A354 PolarHBondContact O-N 2.89Å; A351-M355 PolarHBondContact O-N 3.2Å |
| 352 | S | 93.3 | Very high | 88.8 | Confident | 5 Ų | 5 | 31.7 Ų | 31.7 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.4 | -39.4 | 175.5 | 63.2 | 0 | 0 | 0 | 0 | 112.2 | S347 S349 E356 | S347-S352 PolarHBondContact O-OG 3.04Å; S349-S352 PolarHBondContact N-OG 3.46Å; S349-S352 PolarHBondContact O-OG 2.99Å; S349-S352 VanDerWaalsContact O-OG 3.11Å; S349-S352 VanDerWaalsContact OG-CB 3.24Å; S349-S352 WeakPolarHBondContact OG-CB 3.43Å; S349-S352 PolarHBondContact OG-N 2.91Å; S349-S352 PolarHBondContact OG-OG 2.71Å; S352-E356 PolarHBondContact O-N 3.36Å; S352-E356 VanDerWaalsContact O-N 3.14Å |
| 353 | K | 93.9 | Very high | 88.8 | Confident | 39 Ų | 39 | 27.2 Ų | 27.2 | 17% | 0.17 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.6 | -40.5 | 175.7 | -70.9 | -69.2 | 168 | -168.9 | 0 | 112.6 | Q307 A310 N348 S349 L350 A351 E356 Q357 | Q307-K353 HydrophobicContact CB-CD 4.29Å; Q307-K353 HydrophobicContact CG-CD 4.31Å; A310-K353 HydrophobicContact CB-CB 3.7Å; N348-K353 WeakPolarHBondContact OD1-CE 3.14Å; S349-K353 WeakPolarHBondContact O-CB 3.48Å; S349-K353 WeakPolarHBondContact O-CG 3.29Å; S349-K353 PolarHBondContact O-N 3.22Å; L350-K353 PolarHBondContact O-N 3.24Å; A351-K353 VanDerWaalsContact C-N 3.28Å; A351-K353 PolarHBondContact O-N 2.94Å; K353-E356 IonicContact NZ-OE2 2.65Å; K353-E356 PolarHBondContact NZ-OE2 3.16Å; K353-E356 PolarHBondContact O-N 2.87Å; K353-Q357 WeakPolarHBondContact O-CG 3.49Å; K353-Q357 PolarHBondContact O-N 3.35Å |
| 354 | A | 94.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.7 | -45.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A310 V314 F326 L327 L330 L350 A351 E356 Q357 F358 | A310-A354 HydrophobicContact CB-CB 4.41Å; V314-A354 HydrophobicContact CG2-CB 4.1Å; V314-A354 WeakPolarHBondContact CG2-O 3.45Å; F326-A354 HydrophobicContact CE1-CB 4.14Å; F326-A354 HydrophobicContact CZ-CB 4.31Å; L327-A354 HydrophobicContact CD2-CB 3.94Å; L330-A354 HydrophobicContact CD1-CB 3.88Å; L350-A354 VanDerWaalsContact O-CB 3.23Å; L350-A354 WeakPolarHBondContact O-CB 3.4Å; L350-A354 PolarHBondContact O-N 2.79Å; A351-A354 PolarHBondContact O-N 2.89Å; A354-E356 VanDerWaalsContact C-N 3.34Å; A354-E356 PolarHBondContact O-N 3.1Å; A354-Q357 PolarHBondContact O-N 3Å; A354-F358 VanDerWaalsContact O-CB 3.26Å; A354-F358 WeakPolarHBondContact O-CB 3.49Å; A354-F358 PolarHBondContact O-N 3.4Å |
| 355 | M | 94.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.4 | -41.1 | 173.9 | -77.9 | -63.7 | -65.1 | 0 | 0 | 112.3 | L327 A351 F358 M359 F445 F472 | L327-M355 HydrophobicContact CB-SD 4.22Å; L327-M355 HydrophobicContact CD1-SD 3.93Å; L327-M355 HydrophobicContact CD2-CG 4.35Å; L327-M355 HydrophobicContact CD2-SD 3.93Å; L327-M355 HydrophobicContact CG-SD 4.24Å; A351-M355 PolarHBondContact O-N 3.2Å; M355-F358 PolarHBondContact O-N 3.05Å; M355-M359 WeakPolarHBondContact O-CG 3.22Å; M355-M359 PolarHBondContact O-N 2.69Å; M355-F445 HydrophobicContact CE-CD1 4.03Å; M355-F445 HydrophobicContact CE-CE1 3.5Å; M355-F445 VanDerWaalsContact CE-CE1 3.5Å; M355-F445 HydrophobicContact CE-CZ 4.11Å; M355-F472 HydrophobicContact CB-CD1 3.75Å; M355-F472 HydrophobicContact CB-CE1 3.4Å; M355-F472 HydrophobicContact CB-CE2 4.34Å; M355-F472 HydrophobicContact CB-CG 4.38Å; M355-F472 HydrophobicContact CB-CZ 3.73Å; M355-F472 HydrophobicContact CE-CD2 4.37Å; M355-F472 HydrophobicContact CE-CG 4.48Å; M355-F472 HydrophobicContact CG-CE1 4.18Å; M355-F472 HydrophobicContact CG-CE2 4.29Å; M355-F472 HydrophobicContact CG-CZ 3.98Å |
| 356 | E | 91.6 | Very high | 88.1 | Confident | 29 Ų | 29 | 27.2 Ų | 27.2 | 14% | 0.136 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.1 | -46.9 | 176.1 | -166.3 | -165.9 | 141.2 | 0 | 0 | 112 | S352 K353 A354 K360 | S352-E356 PolarHBondContact O-N 3.36Å; S352-E356 VanDerWaalsContact O-N 3.14Å; K353-E356 IonicContact NZ-OE2 2.65Å; K353-E356 PolarHBondContact NZ-OE2 3.16Å; K353-E356 PolarHBondContact O-N 2.87Å; A354-E356 VanDerWaalsContact C-N 3.34Å; A354-E356 PolarHBondContact O-N 3.1Å; E356-K360 WeakPolarHBondContact O-CG 3.34Å; E356-K360 PolarHBondContact O-N 3.33Å; E356-K360 IonicContact OE1-NZ 4Å; E356-K360 PolarHBondContact OE1-NZ 3.35Å |
| 357 | Q | 90 | Very high | 88.3 | Confident | 10 Ų | 10 | 19.7 Ų | 19.7 | 5% | 0.047 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.2 | -37.2 | 179.1 | -60.7 | -42.9 | -53.5 | 0 | 0 | 112 | A310 M311 V314 K353 A354 K360 A361 | A310-Q357 HydrophobicContact CB-CG 4.41Å; M311-Q357 HydrophobicContact CB-CB 4.38Å; M311-Q357 HydrophobicContact CB-CG 3.97Å; M311-Q357 HydrophobicContact CE-CB 4.25Å; M311-Q357 HydrophobicContact CE-CG 4.32Å; M311-Q357 HydrophobicContact SD-CB 4.01Å; M311-Q357 HydrophobicContact SD-CG 4.4Å; V314-Q357 HydrophobicContact CG2-CB 4.43Å; K353-Q357 WeakPolarHBondContact O-CG 3.49Å; K353-Q357 PolarHBondContact O-N 3.35Å; A354-Q357 PolarHBondContact O-N 3Å; Q357-K360 PolarHBondContact O-N 3.31Å; Q357-A361 WeakPolarHBondContact O-CB 3.46Å; Q357-A361 PolarHBondContact O-N 3.14Å |
| 358 | F | 90.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.5 | -47.9 | 174.7 | 167.9 | -109.5 | 0 | 0 | 0 | 112.5 | V314 V323 L327 A354 M355 K360 A361 V362 V440 M441 A444 | V314-F358 HydrophobicContact CG1-CB 4.09Å; V314-F358 HydrophobicContact CG2-CB 4.29Å; V323-F358 HydrophobicContact CG1-CE2 4.09Å; V323-F358 HydrophobicContact CG2-CD2 3.72Å; V323-F358 HydrophobicContact CG2-CE2 3.96Å; L327-F358 HydrophobicContact CD1-CB 4.02Å; L327-F358 HydrophobicContact CD1-CD1 3.51Å; L327-F358 HydrophobicContact CD1-CD2 3.86Å; L327-F358 HydrophobicContact CD1-CE1 3.84Å; L327-F358 HydrophobicContact CD1-CE2 4.15Å; L327-F358 HydrophobicContact CD1-CG 3.51Å; L327-F358 HydrophobicContact CD1-CZ 4.14Å; L327-F358 HydrophobicContact CD2-CB 4.39Å; A354-F358 VanDerWaalsContact O-CB 3.26Å; A354-F358 WeakPolarHBondContact O-CB 3.49Å; A354-F358 PolarHBondContact O-N 3.4Å; M355-F358 PolarHBondContact O-N 3.05Å; F358-K360 VanDerWaalsContact C-N 3.28Å; F358-K360 PolarHBondContact O-N 2.71Å; F358-A361 PolarHBondContact O-N 3.1Å; F358-A361 VanDerWaalsContact O-N 3.16Å; F358-V362 HydrophobicContact CD2-CG2 3.95Å; F358-V362 HydrophobicContact CE2-CB 4.4Å; F358-V362 HydrophobicContact CE2-CG2 3.7Å; F358-V362 HydrophobicContact CZ-CG2 4.47Å; F358-V362 PolarHBondContact O-N 3.28Å; F358-V440 HydrophobicContact CE2-CG1 4.46Å; F358-V440 HydrophobicContact CE2-CG2 4.33Å; F358-V440 HydrophobicContact CZ-CG1 4.25Å; F358-V440 HydrophobicContact CZ-CG2 4.24Å; F358-M441 HydrophobicContact CE1-CB 4.11Å; F358-M441 HydrophobicContact CE1-CG 4Å; F358-M441 HydrophobicContact CZ-CB 4.22Å; F358-A444 HydrophobicContact CE1-CB 3.88Å; F358-A444 HydrophobicContact CZ-CB 4.24Å |
| 359 | M | 90.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.4 | -37.1 | 176.1 | -72.4 | -171.9 | -63.9 | 0 | 0 | 112.1 | M355 G363 M441 F445 F472 F473 R476 F477 | M355-M359 WeakPolarHBondContact O-CG 3.22Å; M355-M359 PolarHBondContact O-N 2.69Å; M359-G363 WeakPolarHBondContact O-CA 3.36Å; M359-G363 PolarHBondContact O-N 3.3Å; M359-M441 HydrophobicContact CB-SD 4.46Å; M359-M441 HydrophobicContact CG-SD 3.98Å; M359-F445 HydrophobicContact CG-CZ 4.26Å; M359-F445 HydrophobicContact SD-CZ 3.75Å; M359-F472 HydrophobicContact CE-CB 3.71Å; M359-F472 HydrophobicContact CE-CD1 3.92Å; M359-F472 HydrophobicContact CE-CG 4.27Å; M359-F472 WeakPolarHBondContact CE-O 3.36Å; M359-F472 HydrophobicContact SD-CB 3.89Å; M359-F473 HydrophobicContact SD-CD2 4.4Å; M359-R476 HydrophobicContact CE-CB 4.23Å; M359-F477 HydrophobicContact CB-CD2 4.12Å; M359-F477 HydrophobicContact CB-CE2 4.32Å; M359-F477 HydrophobicContact CE-CB 4.29Å; M359-F477 HydrophobicContact SD-CB 4.15Å; M359-F477 HydrophobicContact SD-CG 4.43Å |
| 360 | K | 84.9 | Confident | 88.9 | Confident | 53 Ų | 53 | 20.2 Ų | 20.2 | 23% | 0.23 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.7 | -39.6 | 174.3 | -74 | 171.5 | 172.9 | 171.7 | 0 | 112.2 | E356 Q357 F358 M364 | E356-K360 WeakPolarHBondContact O-CG 3.34Å; E356-K360 PolarHBondContact O-N 3.33Å; E356-K360 IonicContact OE1-NZ 4Å; E356-K360 PolarHBondContact OE1-NZ 3.35Å; Q357-K360 PolarHBondContact O-N 3.31Å; F358-K360 VanDerWaalsContact C-N 3.28Å; F358-K360 PolarHBondContact O-N 2.71Å; K360-M364 WeakPolarHBondContact O-CG 3.41Å |
| 361 | A | 79.9 | Confident | 89 | Confident | 10 Ų | 10 | 20.2 Ų | 20.2 | 8% | 0.083 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.6 | -41.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L318 Q357 F358 | L318-A361 HydrophobicContact CD1-CB 4.13Å; Q357-A361 WeakPolarHBondContact O-CB 3.46Å; Q357-A361 PolarHBondContact O-N 3.14Å; F358-A361 PolarHBondContact O-N 3.1Å; F358-A361 VanDerWaalsContact O-N 3.16Å |
| 362 | V | 82.7 | Confident | 89 | Confident | 22 Ų | 22 | 23.8 Ų | 23.8 | 13% | 0.133 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -103.8 | -32 | -171.4 | -176.6 | 0 | 0 | 0 | 0 | 113.1 | L318 F358 P438 V440 | L318-V362 HydrophobicContact CD2-CG2 4.1Å; F358-V362 HydrophobicContact CD2-CG2 3.95Å; F358-V362 HydrophobicContact CE2-CB 4.4Å; F358-V362 HydrophobicContact CE2-CG2 3.7Å; F358-V362 HydrophobicContact CZ-CG2 4.47Å; F358-V362 PolarHBondContact O-N 3.28Å; V362-P438 HydrophobicContact CG1-CB 3.71Å; V362-P438 HydrophobicContact CG1-CG 4.02Å; V362-V440 HydrophobicContact CG1-CG1 3.6Å |
| 363 | G | 85.1 | Confident | 89 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -90.6 | -7.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | M359 L365 Y366 L367 F477 | M359-G363 WeakPolarHBondContact O-CA 3.36Å; M359-G363 PolarHBondContact O-N 3.3Å; G363-L365 PolarHBondContact O-N 3.01Å; G363-Y366 WeakPolarHBondContact O-CB 3.13Å; G363-Y366 PolarHBondContact O-N 3.24Å; G363-Y366 VanDerWaalsContact O-N 3.16Å; G363-L367 PolarHBondContact O-N 2.88Å; G363-F477 WeakPolarHBondContact O-CZ 3.22Å |
| 364 | M | 83.1 | Confident | 89.1 | Confident | 9 Ų | 9 | 26.4 Ų | 26.4 | 4% | 0.044 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.2 | -37.6 | -170.5 | -81.4 | -72.1 | -74 | 0 | 0 | 114.1 | K360 L367 H368 F488 W721 | K360-M364 WeakPolarHBondContact O-CG 3.41Å; M364-L367 WeakPolarHBondContact O-CB 3.02Å; M364-L367 PolarHBondContact O-N 2.98Å; M364-L367 HydrophobicContact SD-CD2 3.82Å; M364-H368 PolarHBondContact O-CD2 3.23Å; M364-H368 PolarHBondContact O-N 3.47Å; M364-F488 VanDerWaalsContact CE-O 3.25Å; M364-F488 WeakPolarHBondContact CE-O 3.4Å; M364-F488 HydrophobicContact SD-CD1 3.98Å; M364-W721 HydrophobicContact CB-CD2 3.88Å; M364-W721 HydrophobicContact CB-CE3 3.83Å; M364-W721 HydrophobicContact CB-CH2 3.59Å; M364-W721 HydrophobicContact CB-CZ2 3.62Å; M364-W721 HydrophobicContact CB-CZ3 3.68Å; M364-W721 HydrophobicContact CG-CD2 3.93Å; M364-W721 HydrophobicContact CG-CE3 4.08Å; M364-W721 HydrophobicContact CG-CG 4.38Å; M364-W721 HydrophobicContact CG-CZ2 4.48Å; M364-W721 HydrophobicContact CG-CZ3 4.42Å |
| 365 | L | 79.4 | Confident | 89.1 | Confident | 75 Ų | 75 | 26.5 Ų | 26.5 | 39% | 0.393 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 174.1 | -66.6 | 178.7 | 0 | 0 | 0 | 111.2 | G363 L367 H368 E369 V570 W721 | G363-L365 PolarHBondContact O-N 3.01Å; L365-L367 VanDerWaalsContact C-N 3.31Å; L365-L367 PolarHBondContact O-N 3.47Å; L365-H368 WeakPolarHBondContact O-CB 3.47Å; L365-H368 PolarHBondContact O-N 2.98Å; L365-H368 VanDerWaalsContact O-N 3.1Å; L365-E369 PolarHBondContact O-N 2.94Å; L365-V570 HydrophobicContact CD1-CG1 3.99Å; L365-W721 HydrophobicContact CD2-CH2 4.21Å; L365-W721 HydrophobicContact CG-CH2 4.06Å |
| 366 | Y | 86.8 | Confident | 89 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 2% | 0.02 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.3 | -44.2 | 174.8 | 164.4 | -107.7 | 0 | 0 | 0 | 111.9 | G363 H368 E369 V370 S433 Q436 C437 M441 F473 F477 F478 | G363-Y366 WeakPolarHBondContact O-CB 3.13Å; G363-Y366 PolarHBondContact O-N 3.24Å; G363-Y366 VanDerWaalsContact O-N 3.16Å; Y366-H368 VanDerWaalsContact C-N 3.3Å; Y366-H368 PolarHBondContact O-N 2.85Å; Y366-E369 PolarHBondContact O-N 3.45Å; Y366-V370 HydrophobicContact CD2-CG2 3.96Å; Y366-V370 HydrophobicContact CE2-CG2 3.56Å; Y366-V370 WeakPolarHBondContact O-CG2 3.49Å; Y366-V370 PolarHBondContact O-N 2.82Å; Y366-S433 WeakPolarHBondContact CE2-O 3.13Å; Y366-S433 WeakPolarHBondContact CE2-OG 3.38Å; Y366-S433 PolarHBondContact OH-OG 3.44Å; Y366-Q436 HydrophobicContact CD2-CB 3.93Å; Y366-Q436 WeakPolarHBondContact CD2-O 3.38Å; Y366-Q436 HydrophobicContact CE2-CB 4.21Å; Y366-C437 HydrophobicContact CD2-CB 4.37Å; Y366-C437 HydrophobicContact CE2-CB 4.02Å; Y366-M441 HydrophobicContact CD1-CE 4.06Å; Y366-M441 HydrophobicContact CE1-CE 4.32Å; Y366-F473 HydrophobicContact CD1-CZ 4.48Å; Y366-F473 AromaticContact CE1-CE1 3.93Å; Y366-F473 HydrophobicContact CE1-CE1 3.93Å; Y366-F473 HydrophobicContact CE1-CE2 4.49Å; Y366-F473 AromaticContact CE1-CZ 3.51Å; Y366-F473 HydrophobicContact CE1-CZ 3.51Å; Y366-F477 HydrophobicContact CD1-CE1 4.24Å; Y366-F478 HydrophobicContact CE1-CE1 4.26Å; Y366-F478 AromaticContact CE1-CZ 3.65Å; Y366-F478 HydrophobicContact CE1-CZ 3.65Å; Y366-F478 AromaticContact CZ-CZ 3.96Å |
| 367 | L | 91.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.3 | -41.2 | 175.1 | -174.7 | 73.4 | 0 | 0 | 0 | 112.4 | G363 M364 L365 L371 F477 F478 A481 F488 | G363-L367 PolarHBondContact O-N 2.88Å; M364-L367 WeakPolarHBondContact O-CB 3.02Å; M364-L367 PolarHBondContact O-N 2.98Å; M364-L367 HydrophobicContact SD-CD2 3.82Å; L365-L367 VanDerWaalsContact C-N 3.31Å; L365-L367 PolarHBondContact O-N 3.47Å; L367-L371 HydrophobicContact CD1-CD1 3.65Å; L367-L371 HydrophobicContact CD1-CG 4.25Å; L367-L371 HydrophobicContact CG-CD1 4.34Å; L367-L371 WeakPolarHBondContact O-CB 2.94Å; L367-L371 PolarHBondContact O-N 3.24Å; L367-F477 HydrophobicContact CB-CE1 3.9Å; L367-F477 HydrophobicContact CB-CE2 4.5Å; L367-F477 HydrophobicContact CB-CZ 3.66Å; L367-F477 HydrophobicContact CD1-CD1 4.05Å; L367-F477 HydrophobicContact CD1-CE1 3.8Å; L367-F477 HydrophobicContact CD1-CZ 4.07Å; L367-F477 HydrophobicContact CD2-CE2 4.16Å; L367-F477 HydrophobicContact CD2-CZ 4.11Å; L367-F477 HydrophobicContact CG-CE1 4.34Å; L367-F477 HydrophobicContact CG-CZ 4.17Å; L367-F478 HydrophobicContact CD1-CD1 3.45Å; L367-F478 VanDerWaalsContact CD1-CD1 3.45Å; L367-F478 HydrophobicContact CD1-CE1 3.74Å; L367-A481 HydrophobicContact CD1-CB 3.88Å; L367-A481 HydrophobicContact CD2-CB 3.78Å; L367-A481 HydrophobicContact CG-CB 4.23Å; L367-F488 HydrophobicContact CD2-CB 3.95Å; L367-F488 HydrophobicContact CD2-CD1 3.45Å; L367-F488 VanDerWaalsContact CD2-CD1 3.45Å; L367-F488 HydrophobicContact CD2-CE1 4.32Å; L367-F488 HydrophobicContact CD2-CG 4.07Å |
| 368 | H | 88.3 | Confident | 89.4 | Confident | 29 Ų | 29 | 31 Ų | 31 | 13% | 0.134 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.7 | -45.1 | 178.4 | -79.7 | -141.2 | 0 | 0 | 0 | 111.3 | M364 L365 Y366 V370 K372 F488 Q489 L490 | M364-H368 PolarHBondContact O-CD2 3.23Å; M364-H368 PolarHBondContact O-N 3.47Å; L365-H368 WeakPolarHBondContact O-CB 3.47Å; L365-H368 PolarHBondContact O-N 2.98Å; L365-H368 VanDerWaalsContact O-N 3.1Å; Y366-H368 VanDerWaalsContact C-N 3.3Å; Y366-H368 PolarHBondContact O-N 2.85Å; H368-V370 VanDerWaalsContact C-N 3.3Å; H368-V370 PolarHBondContact O-N 3.42Å; H368-K372 HydrophobicContact CB-CD 4.45Å; H368-K372 WeakPolarHBondContact O-CB 3.27Å; H368-K372 PolarHBondContact O-N 3.38Å; H368-F488 PolarHBondContact NE2-O 3.5Å; H368-Q489 PolarHBondContact CE1-O 2.86Å; H368-L490 HydrophobicContact CB-CD2 4.34Å |
| 369 | E | 86.5 | Confident | 89.4 | Confident | 131 Ų | 131 | 31.4 Ų | 31.4 | 61% | 0.612 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -59.8 | -42.1 | 177.3 | -68.3 | -157.8 | 154.5 | 0 | 0 | 111.9 | L365 Y366 | L365-E369 PolarHBondContact O-N 2.94Å; Y366-E369 PolarHBondContact O-N 3.45Å |
| 370 | V | 93.9 | Very high | 89.3 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -75.4 | -47.3 | -176.6 | 175.3 | 0 | 0 | 0 | 0 | 112.7 | Y366 H368 S429 I430 F478 | Y366-V370 HydrophobicContact CD2-CG2 3.96Å; Y366-V370 HydrophobicContact CE2-CG2 3.56Å; Y366-V370 WeakPolarHBondContact O-CG2 3.49Å; Y366-V370 PolarHBondContact O-N 2.82Å; H368-V370 VanDerWaalsContact C-N 3.3Å; H368-V370 PolarHBondContact O-N 3.42Å; V370-S429 PolarHBondContact O-OG 3.06Å; V370-S429 VanDerWaalsContact O-OG 3.04Å; V370-I430 HydrophobicContact CG1-CB 4.49Å; V370-I430 HydrophobicContact CG1-CG1 3.7Å; V370-F478 HydrophobicContact CB-CE1 4.33Å; V370-F478 HydrophobicContact CG1-CE1 3.98Å; V370-F478 HydrophobicContact CG1-CZ 4.3Å |
| 371 | L | 95.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -99.1 | -32.1 | -169 | -67.1 | -173.5 | 0 | 0 | 0 | 114.7 | L367 P373 I374 I375 I426 F478 A481 I482 L490 | L367-L371 HydrophobicContact CD1-CD1 3.65Å; L367-L371 HydrophobicContact CD1-CG 4.25Å; L367-L371 HydrophobicContact CG-CD1 4.34Å; L367-L371 WeakPolarHBondContact O-CB 2.94Å; L367-L371 PolarHBondContact O-N 3.24Å; L371-P373 VanDerWaalsContact C-CD 3.45Å; L371-I374 PolarHBondContact O-N 2.98Å; L371-I374 VanDerWaalsContact O-N 3.14Å; L371-I375 HydrophobicContact CB-CG1 4.33Å; L371-I375 WeakPolarHBondContact O-CG1 3.39Å; L371-I375 PolarHBondContact O-N 2.67Å; L371-I426 HydrophobicContact CD2-CG2 4.26Å; L371-F478 HydrophobicContact CD1-CD1 3.83Å; L371-F478 HydrophobicContact CD2-CD1 4.26Å; L371-F478 HydrophobicContact CG-CD1 4Å; L371-F478 HydrophobicContact CG-CE1 4.37Å; L371-A481 HydrophobicContact CD1-CB 3.88Å; L371-I482 HydrophobicContact CD1-CD1 4.44Å; L371-I482 HydrophobicContact CD1-CG1 3.91Å; L371-I482 HydrophobicContact CD2-CD1 4.25Å; L371-I482 HydrophobicContact CD2-CG1 4.32Å; L371-L490 HydrophobicContact CB-CD1 4.1Å; L371-L490 HydrophobicContact CB-CD2 4.38Å; L371-L490 HydrophobicContact CD1-CD1 4.2Å |
| 372 | K | 92 | Very high | 89.8 | Confident | 78 Ų | 78 | 43.5 Ų | 43.5 | 34% | 0.339 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.6 | -40.7 | -168.6 | -164.7 | 171.1 | -168.6 | 163.3 | 0 | 113.8 | H368 I374 N376 L490 | H368-K372 HydrophobicContact CB-CD 4.45Å; H368-K372 WeakPolarHBondContact O-CB 3.27Å; H368-K372 PolarHBondContact O-N 3.38Å; K372-I374 VanDerWaalsContact C-N 3.34Å; K372-I374 PolarHBondContact O-N 3.49Å; K372-N376 WeakPolarHBondContact O-CB 3.45Å; K372-N376 PolarHBondContact O-N 2.85Å; K372-N376 PolarHBondContact O-ND2 3.46Å; K372-L490 HydrophobicContact CB-CD2 3.98Å; K372-L490 HydrophobicContact CG-CD2 4.48Å |
| 373 | P | 93.9 | Very high | 90 | Very high | 82 Ų | 82 | 46.5 Ų | 46.5 | 53% | 0.532 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60 | -42.7 | 177.8 | -24 | 35 | 0 | 0 | 0 | 112.9 | L371 N376 R377 | L371-P373 VanDerWaalsContact C-CD 3.45Å; P373-N376 PolarHBondContact O-N 3.23Å; P373-R377 PolarHBondContact O-N 3.11Å; P373-R377 VanDerWaalsContact O-N 3.13Å |
| 374 | I | 96.2 | Very high | 90.1 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 9% | 0.087 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -75.5 | -41.5 | -176.3 | -57.8 | 153.4 | 0 | 0 | 0 | 110.5 | L371 K372 N376 R377 I378 S425 I426 | L371-I374 PolarHBondContact O-N 2.98Å; L371-I374 VanDerWaalsContact O-N 3.14Å; K372-I374 VanDerWaalsContact C-N 3.34Å; K372-I374 PolarHBondContact O-N 3.49Å; I374-N376 VanDerWaalsContact C-N 3.27Å; I374-N376 PolarHBondContact O-N 3.38Å; I374-R377 WeakPolarHBondContact O-CB 3.33Å; I374-R377 PolarHBondContact O-N 3.36Å; I374-I378 HydrophobicContact CG2-CD1 4.2Å; I374-I378 WeakPolarHBondContact O-CG1 3.37Å; I374-I378 PolarHBondContact O-N 3.04Å; I374-S425 WeakPolarHBondContact CD1-O 3.4Å; I374-I426 HydrophobicContact CD1-CG1 4.18Å; I374-I426 HydrophobicContact CG2-CD1 4.38Å; I374-I426 HydrophobicContact CG2-CG1 3.79Å |
| 375 | I | 95.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.9 | -41.3 | 173.2 | -65.1 | -61.8 | 0 | 0 | 0 | 110.4 | L371 R377 I378 F379 I482 P485 L490 R491 L503 | L371-I375 HydrophobicContact CB-CG1 4.33Å; L371-I375 WeakPolarHBondContact O-CG1 3.39Å; L371-I375 PolarHBondContact O-N 2.67Å; I375-R377 PolarHBondContact O-N 2.86Å; I375-I378 HydrophobicContact CD1-CD1 4.48Å; I375-I378 PolarHBondContact O-N 2.87Å; I375-F379 HydrophobicContact CG2-CD2 3.85Å; I375-F379 HydrophobicContact CG2-CE2 3.82Å; I375-F379 WeakPolarHBondContact O-CD2 3.25Å; I375-F379 PolarHBondContact O-N 3.37Å; I375-F379 VanDerWaalsContact O-N 3.08Å; I375-I482 HydrophobicContact CD1-CG1 4.23Å; I375-I482 HydrophobicContact CD1-CG2 4.4Å; I375-P485 HydrophobicContact CD1-CG 4.24Å; I375-P485 HydrophobicContact CG2-CB 3.84Å; I375-P485 HydrophobicContact CG2-CG 4.01Å; I375-L490 HydrophobicContact CG1-CD1 4.38Å; I375-R491 HydrophobicContact CG2-CG 3.68Å; I375-L503 HydrophobicContact CD1-CD2 3.72Å |
| 376 | N | 92.2 | Very high | 90.9 | Very high | 51 Ų | 51 | 45.7 Ų | 45.7 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.8 | -47 | 176.2 | -74.9 | -23.6 | 0 | 0 | 0 | 112.1 | K372 P373 I374 I378 F379 D380 R491 | K372-N376 WeakPolarHBondContact O-CB 3.45Å; K372-N376 PolarHBondContact O-N 2.85Å; K372-N376 PolarHBondContact O-ND2 3.46Å; P373-N376 PolarHBondContact O-N 3.23Å; I374-N376 VanDerWaalsContact C-N 3.27Å; I374-N376 PolarHBondContact O-N 3.38Å; N376-I378 VanDerWaalsContact C-N 3.32Å; N376-I378 PolarHBondContact O-N 2.88Å; N376-F379 PolarHBondContact O-N 2.87Å; N376-D380 WeakPolarHBondContact O-CB 3.19Å; N376-D380 PolarHBondContact O-N 3.11Å; N376-R491 WeakPolarHBondContact OD1-CD 3.49Å; N376-R491 PolarHBondContact OD1-NH1 2.82Å |
| 377 | R | 94.9 | Very high | 91 | Very high | 80 Ų | 80 | 45.5 Ų | 45.5 | 30% | 0.302 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -54 | -46.4 | 174.6 | -176.2 | 178.2 | 70.6 | -176.2 | -2.8 | 112.3 | P373 I374 I375 F379 D380 E381 S425 | P373-R377 PolarHBondContact O-N 3.11Å; P373-R377 VanDerWaalsContact O-N 3.13Å; I374-R377 WeakPolarHBondContact O-CB 3.33Å; I374-R377 PolarHBondContact O-N 3.36Å; I375-R377 PolarHBondContact O-N 2.86Å; R377-F379 VanDerWaalsContact C-N 3.35Å; R377-F379 PolarHBondContact O-N 3.44Å; R377-D380 PolarHBondContact O-N 3.11Å; R377-E381 WeakPolarHBondContact CD-OE1 3.4Å; R377-E381 HydrophobicContact CG-CG 4.28Å; R377-E381 WeakPolarHBondContact CG-OE1 3.2Å; R377-E381 WeakPolarHBondContact O-CB 3.43Å; R377-E381 WeakPolarHBondContact O-CG 3.44Å; R377-E381 PolarHBondContact O-N 2.86Å; R377-S425 PolarHBondContact NH2-OG 3.1Å |
| 378 | I | 94.4 | Very high | 90.8 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.9 | -41.1 | -179.1 | -66.2 | 163.8 | 0 | 0 | 0 | 111.6 | I374 I375 N376 D380 R382 Y422 T499 T502 L503 L506 | I374-I378 HydrophobicContact CG2-CD1 4.2Å; I374-I378 WeakPolarHBondContact O-CG1 3.37Å; I374-I378 PolarHBondContact O-N 3.04Å; I375-I378 HydrophobicContact CD1-CD1 4.48Å; I375-I378 PolarHBondContact O-N 2.87Å; N376-I378 VanDerWaalsContact C-N 3.32Å; N376-I378 PolarHBondContact O-N 2.88Å; I378-D380 VanDerWaalsContact C-N 3.35Å; I378-R382 PolarHBondContact O-N 3.17Å; I378-Y422 HydrophobicContact CD1-CD2 4.38Å; I378-Y422 HydrophobicContact CD1-CG 4.4Å; I378-Y422 HydrophobicContact CG1-CD1 4.29Å; I378-Y422 HydrophobicContact CG1-CD2 4.03Å; I378-Y422 HydrophobicContact CG1-CE1 4.23Å; I378-Y422 HydrophobicContact CG1-CE2 3.97Å; I378-Y422 HydrophobicContact CG1-CG 4.16Å; I378-T499 HydrophobicContact CG2-CG2 4.16Å; I378-T502 HydrophobicContact CG2-CG2 4.01Å; I378-L503 HydrophobicContact CD1-CD2 4.27Å; I378-L503 HydrophobicContact CG2-CD2 4.19Å; I378-L506 HydrophobicContact CD1-CD1 3.6Å |
| 379 | F | 89.9 | Confident | 90.6 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 4% | 0.039 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.4 | -29.7 | 177.9 | -92.2 | -104.8 | 0 | 0 | 0 | 113.7 | I375 N376 R377 R382 P485 R491 A495 T499 L503 | I375-F379 HydrophobicContact CG2-CD2 3.85Å; I375-F379 HydrophobicContact CG2-CE2 3.82Å; I375-F379 WeakPolarHBondContact O-CD2 3.25Å; I375-F379 PolarHBondContact O-N 3.37Å; I375-F379 VanDerWaalsContact O-N 3.08Å; N376-F379 PolarHBondContact O-N 2.87Å; R377-F379 VanDerWaalsContact C-N 3.35Å; R377-F379 PolarHBondContact O-N 3.44Å; F379-R382 WeakPolarHBondContact O-CG 3.32Å; F379-R382 PolarHBondContact O-NE 3.28Å; F379-P485 HydrophobicContact CE2-CG 4.22Å; F379-R491 VanDerWaalsContact CB-NH1 3.32Å; F379-R491 VanDerWaalsContact CB-NH2 3.32Å; F379-R491 HydrophobicContact CD2-CG 4.06Å; F379-R491 HydrophobicContact CE1-CG 4.25Å; F379-R491 HydrophobicContact CE2-CG 3.72Å; F379-R491 HydrophobicContact CG-CG 4.45Å; F379-R491 VanDerWaalsContact CG-CZ 3.42Å; F379-R491 HydrophobicContact CZ-CB 4.24Å; F379-R491 HydrophobicContact CZ-CG 3.81Å; F379-A495 HydrophobicContact CE1-CB 4.08Å; F379-A495 HydrophobicContact CE2-CB 4.39Å; F379-A495 HydrophobicContact CZ-CB 3.68Å; F379-T499 HydrophobicContact CD1-CG2 4.26Å; F379-T499 HydrophobicContact CD2-CG2 3.78Å; F379-T499 HydrophobicContact CE1-CG2 4.33Å; F379-T499 HydrophobicContact CE2-CG2 3.85Å; F379-T499 HydrophobicContact CG-CG2 4.01Å; F379-T499 HydrophobicContact CZ-CG2 4.14Å; F379-L503 HydrophobicContact CE2-CD1 3.87Å; F379-L503 HydrophobicContact CZ-CD1 4.36Å |
| 380 | D | 89.1 | Confident | 90.5 | Very high | 117 Ų | 117 | 47.9 Ų | 47.9 | 63% | 0.626 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -80.9 | -38.7 | -179.7 | -64.4 | -13.8 | 0 | 0 | 0 | 110.7 | N376 R377 I378 R491 | N376-D380 WeakPolarHBondContact O-CB 3.19Å; N376-D380 PolarHBondContact O-N 3.11Å; R377-D380 PolarHBondContact O-N 3.11Å; I378-D380 VanDerWaalsContact C-N 3.35Å; D380-R491 IonicContact OD1-NH1 3.54Å |
| 381 | E | 90.3 | Very high | 90 | Very high | 73 Ų | 73 | 53.1 Ų | 53.1 | 34% | 0.341 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -76 | -30.2 | -178.6 | -72.1 | -179.5 | -164.9 | 0 | 0 | 114.2 | R377 K383 Y422 | R377-E381 WeakPolarHBondContact CD-OE1 3.4Å; R377-E381 HydrophobicContact CG-CG 4.28Å; R377-E381 WeakPolarHBondContact CG-OE1 3.2Å; R377-E381 WeakPolarHBondContact O-CB 3.43Å; R377-E381 WeakPolarHBondContact O-CG 3.44Å; R377-E381 PolarHBondContact O-N 2.86Å; E381-K383 HydrophobicContact CB-CD 4.43Å; E381-K383 HydrophobicContact CB-CG 4.06Å; E381-K383 PolarHBondContact O-N 2.97Å; E381-Y422 PolarHBondContact OE2-OH 3.46Å |
| 382 | R | 85.6 | Confident | 89.4 | Confident | 127 Ų | 127 | 54.1 Ų | 54.1 | 48% | 0.479 | 27% | 0.27 | S | S | . | . | trans | 44.5 | 39.4 | 176.5 | -55.9 | -171.8 | -178.2 | -177 | -2.7 | 114.7 | I378 F379 | I378-R382 PolarHBondContact O-N 3.17Å; F379-R382 WeakPolarHBondContact O-CG 3.32Å; F379-R382 PolarHBondContact O-NE 3.28Å | ||
| 383 | K | 87 | Confident | 88.6 | Confident | 86 Ų | 86 | 53 Ų | 53 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | trans | -67 | 144.9 | -178.8 | -56.7 | -57.3 | -174 | -178.3 | 0 | 111.1 | E381 I385 M418 | E381-K383 HydrophobicContact CB-CD 4.43Å; E381-K383 HydrophobicContact CB-CG 4.06Å; E381-K383 PolarHBondContact O-N 2.97Å; K383-I385 HydrophobicContact CB-CD1 4.39Å; K383-I385 HydrophobicContact CB-CG1 4.27Å; K383-M418 HydrophobicContact CG-CE 4.24Å | ||
| 384 | Y | 86.9 | Confident | 87.6 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 21% | 0.212 | 25% | 0.254 | C | S | . | . | trans | -83.1 | 116.2 | 171.2 | -179.7 | -103.9 | 0 | 0 | 0 | 109.1 | E386 D393 V411 R498 | Y384-E386 HydrophobicContact CE1-CB 4.35Å; Y384-D393 PolarHBondContact OH-N 3.47Å; Y384-V411 HydrophobicContact CD1-CG1 4.23Å; Y384-V411 HydrophobicContact CE1-CG1 3.97Å; Y384-R498 HydrophobicContact CD2-CG 4.49Å | ||
| 385 | I | 89.3 | Confident | 86.1 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | trans | -129.8 | 120.1 | -176.7 | -64.3 | 178.1 | 0 | 0 | 0 | 107.8 | K383 S415 M418 L419 Y422 T502 L505 | K383-I385 HydrophobicContact CB-CD1 4.39Å; K383-I385 HydrophobicContact CB-CG1 4.27Å; I385-S415 WeakPolarHBondContact CA-OG 3.49Å; I385-M418 HydrophobicContact CD1-CB 3.74Å; I385-M418 HydrophobicContact CG1-CB 4.34Å; I385-L419 HydrophobicContact CG2-CD1 3.58Å; I385-L419 HydrophobicContact CG2-CD2 3.91Å; I385-L419 HydrophobicContact CG2-CG 3.56Å; I385-Y422 HydrophobicContact CD1-CD2 4.37Å; I385-Y422 HydrophobicContact CD1-CE2 3.91Å; I385-T502 HydrophobicContact CD1-CG2 3.73Å; I385-L505 HydrophobicContact CG2-CD1 4Å | ||
| 386 | E | 90.3 | Very high | 84.4 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | trans | -147.4 | 131.1 | 175.3 | -175.4 | 54.1 | -93.3 | 0 | 0 | 110.2 | Y384 D388 K391 I392 S415 R501 | Y384-E386 HydrophobicContact CE1-CB 4.35Å; E386-D388 WeakPolarHBondContact OE1-CB 3.41Å; E386-D388 PolarHBondContact OE1-N 3.06Å; E386-K391 HydrophobicContact CG-CB 3.97Å; E386-I392 HydrophobicContact CB-CG1 4.19Å; E386-I392 HydrophobicContact CG-CG1 3.8Å; E386-S415 PolarHBondContact N-OG 3.45Å; E386-S415 VanDerWaalsContact N-OG 3.08Å; E386-S415 PolarHBondContact O-OG 3.35Å; E386-R501 IonicContact OE1-CZ 2.72Å; E386-R501 IonicContact OE1-NE 2.62Å; E386-R501 PolarHBondContact OE1-NE 2.87Å; E386-R501 IonicContact OE1-NH2 3.98Å; E386-R501 PolarHBondContact OE1-NH2 3.04Å; E386-R501 IonicContact OE2-CZ 3.2Å; E386-R501 IonicContact OE2-NE 2.8Å; E386-R501 PolarHBondContact OE2-NE 2.76Å; E386-R501 IonicContact OE2-NH2 3.8Å; E386-R501 PolarHBondContact OE2-NH2 2.93Å | ||
| 387 | L | 88.1 | Confident | 82.6 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | trans | -107.4 | -24.8 | 179.1 | -66.8 | -178.2 | 0 | 0 | 0 | 112.3 | P389 R412 V416 L419 L505 W527 M528 L531 | L387-P389 VanDerWaalsContact O-CD 3.26Å; L387-P389 WeakPolarHBondContact O-CD 3.34Å; L387-R412 HydrophobicContact CD2-CG 4.11Å; L387-V416 HydrophobicContact CD2-CG2 3.54Å; L387-L419 HydrophobicContact CD1-CD1 3.55Å; L387-L419 HydrophobicContact CD2-CD1 4.21Å; L387-L419 HydrophobicContact CG-CD1 3.81Å; L387-L505 HydrophobicContact CG-CD1 4.49Å; L387-W527 HydrophobicContact CB-CE3 3.87Å; L387-W527 HydrophobicContact CB-CZ3 4.45Å; L387-M528 HydrophobicContact CD1-SD 4.05Å; L387-L531 HydrophobicContact CD1-CD1 3.95Å; L387-L531 HydrophobicContact CD1-CG 4.33Å | ||
| 388 | D | 86.9 | Confident | 80.5 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 12% | 0.118 | 31% | 0.314 | C | S | . | . | trans | -78 | 111 | -179.8 | -177.4 | -10.1 | 0 | 0 | 0 | 109.7 | E386 C390 K391 I392 W527 | E386-D388 WeakPolarHBondContact OE1-CB 3.41Å; E386-D388 PolarHBondContact OE1-N 3.06Å; D388-C390 PolarHBondContact O-N 3.35Å; D388-C390 VanDerWaalsContact O-N 3.11Å; D388-C390 WeakPolarHBondContact OD1-CB 3.29Å; D388-C390 PolarHBondContact OD1-N 3.23Å; D388-C390 VanDerWaalsContact OD1-N 3.1Å; D388-K391 HydrophobicContact CB-CB 4.22Å; D388-K391 HydrophobicContact CB-CD 4.13Å; D388-K391 HydrophobicContact CB-CG 4.23Å; D388-K391 PolarHBondContact O-N 3.5Å; D388-K391 WeakPolarHBondContact OD2-CD 3.14Å; D388-K391 WeakPolarHBondContact OD2-CE 3.37Å; D388-K391 IonicContact OD2-NZ 2.75Å; D388-I392 PolarHBondContact O-N 2.98Å; D388-W527 HydrophobicContact CB-CD2 4.33Å; D388-W527 HydrophobicContact CB-CG 4.37Å | ||
| 389 | P | 84.4 | Confident | 78.4 | Confident | 62 Ų | 62 | 76.2 Ų | 76.2 | 40% | 0.403 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -56.5 | -32.2 | -177.1 | -24.4 | 35.3 | 0 | 0 | 0 | 113.1 | L387 K391 I392 | L387-P389 VanDerWaalsContact O-CD 3.26Å; L387-P389 WeakPolarHBondContact O-CD 3.34Å; P389-K391 PolarHBondContact O-N 3.11Å; P389-I392 PolarHBondContact O-N 2.87Å |
| 390 | C | 84.1 | Confident | 76.6 | Confident | 125 Ų | 125 | 82.6 Ų | 82.6 | 85% | 0.845 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -72.4 | -12.2 | -179.6 | -63.9 | 0 | 0 | 0 | 0 | 113.5 | D388 | D388-C390 PolarHBondContact O-N 3.35Å; D388-C390 VanDerWaalsContact O-N 3.11Å; D388-C390 WeakPolarHBondContact OD1-CB 3.29Å; D388-C390 PolarHBondContact OD1-N 3.23Å; D388-C390 VanDerWaalsContact OD1-N 3.1Å |
| 391 | K | 83.4 | Confident | 74.5 | Confident | 114 Ų | 114 | 79.6 Ų | 79.6 | 50% | 0.496 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -110.3 | -2 | -178.3 | -64.9 | -178.7 | -176.4 | 168.7 | 0 | 113.4 | E386 D388 P389 D393 | E386-K391 HydrophobicContact CG-CB 3.97Å; D388-K391 HydrophobicContact CB-CB 4.22Å; D388-K391 HydrophobicContact CB-CD 4.13Å; D388-K391 HydrophobicContact CB-CG 4.23Å; D388-K391 PolarHBondContact O-N 3.5Å; D388-K391 WeakPolarHBondContact OD2-CD 3.14Å; D388-K391 WeakPolarHBondContact OD2-CE 3.37Å; D388-K391 IonicContact OD2-NZ 2.75Å; P389-K391 PolarHBondContact O-N 3.11Å; K391-D393 PolarHBondContact O-N 2.62Å |
| 392 | I | 83 | Confident | 72.4 | Confident | 21 Ų | 21 | 87 Ų | 87 | 11% | 0.108 | 41% | 0.407 | C | S | . | . | trans | -73.1 | 113.8 | 179 | -64.1 | 177.6 | 0 | 0 | 0 | 109.7 | E386 D388 P389 L394 E408 V411 | E386-I392 HydrophobicContact CB-CG1 4.19Å; E386-I392 HydrophobicContact CG-CG1 3.8Å; D388-I392 PolarHBondContact O-N 2.98Å; P389-I392 PolarHBondContact O-N 2.87Å; I392-L394 HydrophobicContact CG2-CD2 3.96Å; I392-L394 HydrophobicContact CG2-CG 4.38Å; I392-E408 HydrophobicContact CD1-CB 4.39Å; I392-E408 HydrophobicContact CG2-CG 4.26Å; I392-V411 HydrophobicContact CG2-CG1 4.38Å | ||
| 393 | D | 76.1 | Confident | 70.6 | Confident | 56 Ų | 56 | 89.5 Ų | 89.5 | 30% | 0.299 | 42% | 0.421 | S | S | . | . | trans | -96.7 | 100.2 | 172.9 | -179.1 | 0.2 | 0 | 0 | 0 | 111.5 | Y384 K391 N395 R396 T397 | Y384-D393 PolarHBondContact OH-N 3.47Å; K391-D393 PolarHBondContact O-N 2.62Å; D393-N395 VanDerWaalsContact C-N 3.28Å; D393-N395 PolarHBondContact O-N 3.11Å; D393-N395 WeakPolarHBondContact OD1-CB 3.07Å; D393-N395 PolarHBondContact OD1-N 3.33Å; D393-R396 HydrophobicContact CB-CB 4.43Å; D393-R396 PolarHBondContact O-N 3.08Å; D393-R396 PolarHBondContact OD1-N 3.31Å; D393-R396 WeakPolarHBondContact OD2-CD 3.43Å; D393-R396 VanDerWaalsContact OD2-CG 3.31Å; D393-R396 WeakPolarHBondContact OD2-CG 3.39Å; D393-R396 IonicContact OD2-NE 3.82Å; D393-T397 PolarHBondContact O-OG1 3.35Å | ||
| 394 | L | 71.8 | Confident | 68.7 | Low | 47 Ų | 47 | 91 Ų | 91 | 25% | 0.246 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -68.8 | -21.8 | 178.5 | -62.1 | 174.8 | 0 | 0 | 0 | 113.7 | I392 E408 | I392-L394 HydrophobicContact CG2-CD2 3.96Å; I392-L394 HydrophobicContact CG2-CG 4.38Å; L394-E408 HydrophobicContact CD1-CG 3.93Å; L394-E408 HydrophobicContact CD2-CG 3.9Å; L394-E408 HydrophobicContact CG-CG 4.18Å |
| 395 | N | 65.3 | Low | 67.4 | Low | 107 Ų | 107 | 91 Ų | 91 | 57% | 0.572 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -75.7 | -28.2 | -179.7 | -69 | -35.7 | 0 | 0 | 0 | 111.8 | D393 | D393-N395 VanDerWaalsContact C-N 3.28Å; D393-N395 PolarHBondContact O-N 3.11Å; D393-N395 WeakPolarHBondContact OD1-CB 3.07Å; D393-N395 PolarHBondContact OD1-N 3.33Å |
| 396 | R | 59.9 | Low | 66.5 | Low | 145 Ų | 145 | 93.1 Ų | 93.1 | 55% | 0.547 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.3 | -37.3 | 173.1 | -92.7 | 175.6 | 171.5 | -177.2 | -1.7 | 112.6 | D393 R398 | D393-R396 HydrophobicContact CB-CB 4.43Å; D393-R396 PolarHBondContact O-N 3.08Å; D393-R396 PolarHBondContact OD1-N 3.31Å; D393-R396 WeakPolarHBondContact OD2-CD 3.43Å; D393-R396 VanDerWaalsContact OD2-CG 3.31Å; D393-R396 WeakPolarHBondContact OD2-CG 3.39Å; D393-R396 IonicContact OD2-NE 3.82Å; R396-R398 PolarHBondContact O-N 2.81Å |
| 397 | T | 53.8 | Low | 66.1 | Low | 32 Ų | 32 | 95.1 Ų | 95.1 | 20% | 0.196 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -72.9 | -27.1 | -177.9 | -35.7 | 0 | 0 | 0 | 0 | 112.7 | D393 R399 I400 V406 | D393-T397 PolarHBondContact O-OG1 3.35Å; T397-R399 VanDerWaalsContact C-N 3.31Å; T397-R399 PolarHBondContact O-N 2.56Å; T397-I400 PolarHBondContact O-N 3.1Å; T397-V406 HydrophobicContact CG2-CB 4.18Å; T397-V406 HydrophobicContact CG2-CG2 3.9Å |
| 398 | R | 51.9 | Low | 65.8 | Low | 160 Ų | 160 | 99.8 Ų | 99.8 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -19.9 | 178.5 | -72.4 | 179.2 | -170.4 | 179.1 | 3 | 114.8 | R396 I400 | R396-R398 PolarHBondContact O-N 2.81Å; R398-I400 VanDerWaalsContact C-N 3.27Å; R398-I400 PolarHBondContact O-N 3.11Å |
| 399 | R | 49.5 | Very low | 65.6 | Low | 229 Ų | 229 | 100.7 Ų | 100.7 | 86% | 0.864 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -9.9 | 179.7 | -66.4 | -170.4 | -161.9 | 171.9 | 4.9 | 114.1 | T397 | T397-R399 VanDerWaalsContact C-N 3.31Å; T397-R399 PolarHBondContact O-N 2.56Å |
| 400 | I | 52.2 | Low | 65.7 | Low | 144 Ų | 144 | 102.9 Ų | 102.9 | 74% | 0.738 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -18.2 | -171.6 | -56.3 | 174.3 | 0 | 0 | 0 | 112.1 | T397 R398 | T397-I400 PolarHBondContact O-N 3.1Å; R398-I400 VanDerWaalsContact C-N 3.27Å; R398-I400 PolarHBondContact O-N 3.11Å |
| 401 | S | 45.4 | Very low | 65.8 | Low | 53 Ų | 53 | 97.3 Ų | 97.3 | 37% | 0.371 | 49% | 0.487 | S | S | . | . | trans | -130.5 | 121.9 | -173.5 | 165.4 | 0 | 0 | 0 | 0 | 112 | K403 | S401-K403 PolarHBondContact O-N 2.8Å; S401-K403 PolarHBondContact OG-N 3.25Å; S401-K403 VanDerWaalsContact OG-N 3.07Å; S401-K403 PolarHBondContact OG-O 2.94Å; S401-K403 VanDerWaalsContact OG-O 3.06Å | ||
| 402 | F | 46.4 | Very low | 66 | Low | 229 Ų | 229 | 96.6 Ų | 96.6 | 100% | 1.004 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -75.6 | 9 | 168.2 | -96.6 | -90.1 | 0 | 0 | 0 | 113.5 | ||
| 403 | K | 46.3 | Very low | 66.3 | Low | 179 Ų | 179 | 100.2 Ų | 100.2 | 78% | 0.778 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -110.2 | 149.9 | 173.9 | -76.2 | -175.2 | 174.7 | -179.8 | 0 | 111 | S401 | S401-K403 PolarHBondContact O-N 2.8Å; S401-K403 PolarHBondContact OG-N 3.25Å; S401-K403 VanDerWaalsContact OG-N 3.07Å; S401-K403 PolarHBondContact OG-O 2.94Å; S401-K403 VanDerWaalsContact OG-O 3.06Å |
| 404 | S | 48.7 | Very low | 67 | Low | 117 Ų | 117 | 101.6 Ų | 101.6 | 82% | 0.818 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -21.4 | 133.1 | -179.7 | -56.5 | 0 | 0 | 0 | 0 | 115 | V406 | S404-V406 PolarHBondContact O-N 3.03Š|
| 405 | G | 59.2 | Low | 68 | Low | 55 Ų | 55 | 99.4 Ų | 99.4 | 57% | 0.567 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 129 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 406 | V | 69.4 | Low | 69.3 | Low | 48 Ų | 48 | 95.2 Ų | 95.2 | 29% | 0.291 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 133.7 | 177.6 | -170.4 | 0 | 0 | 0 | 0 | 109.4 | T397 S404 E410 V411 | T397-V406 HydrophobicContact CG2-CB 4.18Å; T397-V406 HydrophobicContact CG2-CG2 3.9Å; S404-V406 PolarHBondContact O-N 3.03Å; V406-E410 WeakPolarHBondContact CA-OE2 3.4Å; V406-E410 HydrophobicContact CG1-CB 3.7Å; V406-E410 WeakPolarHBondContact CG1-OE2 3.16Å; V406-V411 HydrophobicContact CB-CG2 4.47Å; V406-V411 HydrophobicContact CG1-CG2 3.71Å |
| 407 | S | 81.4 | Confident | 71 | Confident | 52 Ų | 52 | 94 Ų | 94 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 158.6 | 175.6 | 70.6 | 0 | 0 | 0 | 0 | 112 | A409 E410 V411 | S407-A409 PolarHBondContact O-N 3.5Å; S407-E410 PolarHBondContact N-OE2 2.73Å; S407-E410 PolarHBondContact O-N 3.24Å; S407-E410 VanDerWaalsContact OG-CG 3.3Å; S407-E410 WeakPolarHBondContact OG-CG 3.36Å; S407-E410 PolarHBondContact OG-N 3.31Å; S407-E410 PolarHBondContact OG-OE2 2.96Å; S407-V411 PolarHBondContact O-N 3.48Å; S407-V411 VanDerWaalsContact O-N 3.17Å |
| 408 | E | 82.3 | Confident | 72.9 | Confident | 98 Ų | 98 | 93.7 Ų | 93.7 | 46% | 0.458 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.6 | -35.1 | 175.6 | -65.6 | 177 | -175.3 | 0 | 0 | 112.4 | I392 L394 V411 R412 | I392-E408 HydrophobicContact CD1-CB 4.39Å; I392-E408 HydrophobicContact CG2-CG 4.26Å; L394-E408 HydrophobicContact CD1-CG 3.93Å; L394-E408 HydrophobicContact CD2-CG 3.9Å; L394-E408 HydrophobicContact CG-CG 4.18Å; E408-V411 PolarHBondContact O-N 3.01Å; E408-R412 PolarHBondContact O-N 2.58Å |
| 409 | A | 84.1 | Confident | 74.9 | Confident | 42 Ų | 42 | 86.2 Ų | 86.2 | 35% | 0.347 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S407 V411 R412 D413 | S407-A409 PolarHBondContact O-N 3.5Å; A409-V411 PolarHBondContact O-N 3.28Å; A409-R412 PolarHBondContact O-N 3.22Å; A409-D413 PolarHBondContact O-N 3.36Å |
| 410 | E | 85.3 | Confident | 77.1 | Confident | 108 Ų | 108 | 78.6 Ų | 78.6 | 51% | 0.505 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.9 | -71.9 | 165.6 | 160.2 | 0 | 0 | 112.2 | V406 S407 R412 D413 F414 | V406-E410 WeakPolarHBondContact CA-OE2 3.4Å; V406-E410 HydrophobicContact CG1-CB 3.7Å; V406-E410 WeakPolarHBondContact CG1-OE2 3.16Å; S407-E410 PolarHBondContact N-OE2 2.73Å; S407-E410 PolarHBondContact O-N 3.24Å; S407-E410 VanDerWaalsContact OG-CG 3.3Å; S407-E410 WeakPolarHBondContact OG-CG 3.36Å; S407-E410 PolarHBondContact OG-N 3.31Å; S407-E410 PolarHBondContact OG-OE2 2.96Å; E410-R412 VanDerWaalsContact C-N 3.32Å; E410-R412 PolarHBondContact O-N 3.3Å; E410-D413 PolarHBondContact O-N 3.17Å; E410-F414 WeakPolarHBondContact O-CB 3.24Å; E410-F414 PolarHBondContact O-N 2.91Å |
| 411 | V | 86.8 | Confident | 79.1 | Confident | 8 Ų | 8 | 74.9 Ų | 74.9 | 5% | 0.048 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 174.8 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | Y384 I392 V406 S407 E408 A409 S415 | Y384-V411 HydrophobicContact CD1-CG1 4.23Å; Y384-V411 HydrophobicContact CE1-CG1 3.97Å; I392-V411 HydrophobicContact CG2-CG1 4.38Å; V406-V411 HydrophobicContact CB-CG2 4.47Å; V406-V411 HydrophobicContact CG1-CG2 3.71Å; S407-V411 PolarHBondContact O-N 3.48Å; S407-V411 VanDerWaalsContact O-N 3.17Å; E408-V411 PolarHBondContact O-N 3.01Å; A409-V411 PolarHBondContact O-N 3.28Å; V411-S415 VanDerWaalsContact O-CB 3.25Å; V411-S415 WeakPolarHBondContact O-CB 3Å; V411-S415 PolarHBondContact O-N 3.29Å; V411-S415 PolarHBondContact O-OG 3.34Å |
| 412 | R | 88.3 | Confident | 81.6 | Confident | 99 Ų | 99 | 72.4 Ų | 72.4 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.6 | -44.9 | 179.8 | -172.7 | 179 | 63 | -149.8 | -3.7 | 111.4 | L387 E408 A409 E410 F414 S415 V416 | L387-R412 HydrophobicContact CD2-CG 4.11Å; E408-R412 PolarHBondContact O-N 2.58Å; A409-R412 PolarHBondContact O-N 3.22Å; E410-R412 VanDerWaalsContact C-N 3.32Å; E410-R412 PolarHBondContact O-N 3.3Å; R412-F414 PolarHBondContact O-N 3.4Å; R412-S415 CarbonylContact O-C 3.57Å; R412-S415 WeakPolarHBondContact O-CB 3.5Å; R412-S415 PolarHBondContact O-N 3.31Å; R412-S415 VanDerWaalsContact O-N 3.1Å; R412-V416 HydrophobicContact CG-CG2 4.48Å; R412-V416 WeakPolarHBondContact O-CG2 3.33Å; R412-V416 PolarHBondContact O-N 3.27Å |
| 413 | D | 89.5 | Confident | 83.9 | Confident | 97 Ų | 97 | 61.6 Ų | 61.6 | 52% | 0.519 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | -179.4 | -66.6 | -13 | 0 | 0 | 0 | 110.8 | A409 E410 S415 V416 E417 | A409-D413 PolarHBondContact O-N 3.36Å; E410-D413 PolarHBondContact O-N 3.17Å; D413-S415 VanDerWaalsContact C-N 3.34Å; D413-S415 PolarHBondContact O-N 3.42Å; D413-V416 PolarHBondContact O-N 2.94Å; D413-E417 PolarHBondContact O-N 2.96Å |
| 414 | F | 90.7 | Very high | 86.3 | Confident | 85 Ų | 85 | 55.5 Ų | 55.5 | 37% | 0.373 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 171 | 174.9 | -99.2 | 0 | 0 | 0 | 112.5 | E410 R412 V416 E417 M418 | E410-F414 WeakPolarHBondContact O-CB 3.24Å; E410-F414 PolarHBondContact O-N 2.91Å; R412-F414 PolarHBondContact O-N 3.4Å; F414-V416 VanDerWaalsContact C-N 3.33Å; F414-V416 PolarHBondContact O-N 3.36Å; F414-E417 PolarHBondContact O-N 3.21Å; F414-M418 HydrophobicContact CD1-CG 4.29Å; F414-M418 HydrophobicContact CD2-CG 4.31Å; F414-M418 HydrophobicContact CE1-CG 3.79Å; F414-M418 HydrophobicContact CE2-CG 3.81Å; F414-M418 HydrophobicContact CE2-SD 4.11Å; F414-M418 HydrophobicContact CZ-CG 3.52Å; F414-M418 HydrophobicContact CZ-SD 4.02Å; F414-M418 WeakPolarHBondContact O-CG 3.24Å; F414-M418 PolarHBondContact O-N 3.24Å |
| 415 | S | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63 | -39.9 | 178.7 | -64.9 | 0 | 0 | 0 | 0 | 111.9 | I385 E386 V411 R412 D413 L419 | I385-S415 WeakPolarHBondContact CA-OG 3.49Å; E386-S415 PolarHBondContact N-OG 3.45Å; E386-S415 VanDerWaalsContact N-OG 3.08Å; E386-S415 PolarHBondContact O-OG 3.35Å; V411-S415 VanDerWaalsContact O-CB 3.25Å; V411-S415 WeakPolarHBondContact O-CB 3Å; V411-S415 PolarHBondContact O-N 3.29Å; V411-S415 PolarHBondContact O-OG 3.34Å; R412-S415 CarbonylContact O-C 3.57Å; R412-S415 WeakPolarHBondContact O-CB 3.5Å; R412-S415 PolarHBondContact O-N 3.31Å; R412-S415 VanDerWaalsContact O-N 3.1Å; D413-S415 VanDerWaalsContact C-N 3.34Å; D413-S415 PolarHBondContact O-N 3.42Å; S415-L419 VanDerWaalsContact O-CB 3.32Å; S415-L419 WeakPolarHBondContact O-CB 3.46Å; S415-L419 WeakPolarHBondContact O-CD1 3.42Å; S415-L419 VanDerWaalsContact O-CG 3.22Å; S415-L419 WeakPolarHBondContact O-CG 3.12Å; S415-L419 PolarHBondContact O-N 3.24Å |
| 416 | V | 93.3 | Very high | 90.4 | Very high | 19 Ų | 19 | 48.7 Ų | 48.7 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.7 | -47.9 | 176.1 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | L387 R412 D413 F414 M418 L419 Q420 P530 L531 | L387-V416 HydrophobicContact CD2-CG2 3.54Å; R412-V416 HydrophobicContact CG-CG2 4.48Å; R412-V416 WeakPolarHBondContact O-CG2 3.33Å; R412-V416 PolarHBondContact O-N 3.27Å; D413-V416 PolarHBondContact O-N 2.94Å; F414-V416 VanDerWaalsContact C-N 3.33Å; F414-V416 PolarHBondContact O-N 3.36Å; V416-M418 PolarHBondContact O-N 2.89Å; V416-L419 PolarHBondContact O-N 3.06Å; V416-Q420 HydrophobicContact CG1-CG 4.29Å; V416-Q420 WeakPolarHBondContact O-CB 3.22Å; V416-Q420 VanDerWaalsContact O-CG 3.28Å; V416-Q420 WeakPolarHBondContact O-CG 3.19Å; V416-Q420 PolarHBondContact O-N 3.48Å; V416-P530 HydrophobicContact CG1-CB 4.1Å; V416-P530 HydrophobicContact CG2-CB 3.57Å; V416-P530 HydrophobicContact CG2-CG 4.19Å; V416-L531 HydrophobicContact CG1-CD2 4.5Å |
| 417 | E | 93.9 | Very high | 91.6 | Very high | 121 Ų | 121 | 46.9 Ų | 46.9 | 57% | 0.565 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -58.5 | -45.9 | 178.8 | -175.1 | -175.9 | 177.6 | 0 | 0 | 111.8 | D413 F414 Q420 T421 | D413-E417 PolarHBondContact O-N 2.96Å; F414-E417 PolarHBondContact O-N 3.21Å; E417-Q420 PolarHBondContact O-N 3.22Å; E417-T421 WeakPolarHBondContact O-CB 3.25Å; E417-T421 PolarHBondContact O-N 3.06Å; E417-T421 PolarHBondContact O-OG1 2.88Å |
| 418 | M | 94.1 | Very high | 92.3 | Very high | 25 Ų | 25 | 50 Ų | 50 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 178.2 | -71.5 | -58.4 | -46.9 | 0 | 0 | 112.4 | K383 I385 F414 V416 Q420 T421 Y422 | K383-M418 HydrophobicContact CG-CE 4.24Å; I385-M418 HydrophobicContact CD1-CB 3.74Å; I385-M418 HydrophobicContact CG1-CB 4.34Å; F414-M418 HydrophobicContact CD1-CG 4.29Å; F414-M418 HydrophobicContact CD2-CG 4.31Å; F414-M418 HydrophobicContact CE1-CG 3.79Å; F414-M418 HydrophobicContact CE2-CG 3.81Å; F414-M418 HydrophobicContact CE2-SD 4.11Å; F414-M418 HydrophobicContact CZ-CG 3.52Å; F414-M418 HydrophobicContact CZ-SD 4.02Å; F414-M418 WeakPolarHBondContact O-CG 3.24Å; F414-M418 PolarHBondContact O-N 3.24Å; V416-M418 PolarHBondContact O-N 2.89Å; M418-Q420 VanDerWaalsContact C-N 3.35Å; M418-T421 PolarHBondContact O-N 3.29Å; M418-Y422 HydrophobicContact CE-CD1 4.48Å; M418-Y422 HydrophobicContact CE-CE1 3.69Å; M418-Y422 HydrophobicContact CE-CE2 3.96Å; M418-Y422 VanDerWaalsContact CE-OH 3.3Å; M418-Y422 WeakPolarHBondContact CE-OH 3.27Å; M418-Y422 PolarHBondContact O-N 3.46Å |
| 419 | L | 94.9 | Very high | 93 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.1 | -40.1 | 177.4 | -76 | 169.1 | 0 | 0 | 0 | 111.7 | I385 L387 S415 V416 Y422 L423 L505 L506 L531 | I385-L419 HydrophobicContact CG2-CD1 3.58Å; I385-L419 HydrophobicContact CG2-CD2 3.91Å; I385-L419 HydrophobicContact CG2-CG 3.56Å; L387-L419 HydrophobicContact CD1-CD1 3.55Å; L387-L419 HydrophobicContact CD2-CD1 4.21Å; L387-L419 HydrophobicContact CG-CD1 3.81Å; S415-L419 VanDerWaalsContact O-CB 3.32Å; S415-L419 WeakPolarHBondContact O-CB 3.46Å; S415-L419 WeakPolarHBondContact O-CD1 3.42Å; S415-L419 VanDerWaalsContact O-CG 3.22Å; S415-L419 WeakPolarHBondContact O-CG 3.12Å; S415-L419 PolarHBondContact O-N 3.24Å; V416-L419 PolarHBondContact O-N 3.06Å; L419-Y422 PolarHBondContact O-N 3.42Å; L419-L423 WeakPolarHBondContact O-CB 3.16Å; L419-L423 PolarHBondContact O-N 3.4Å; L419-L505 HydrophobicContact CD1-CB 4.3Å; L419-L505 HydrophobicContact CD1-CD1 4.01Å; L419-L505 HydrophobicContact CD2-CB 3.93Å; L419-L506 HydrophobicContact CD2-CD2 3.73Å; L419-L506 HydrophobicContact CD2-CG 3.85Å; L419-L531 HydrophobicContact CB-CD1 4.45Å; L419-L531 HydrophobicContact CB-CD2 4.01Å; L419-L531 HydrophobicContact CD1-CD1 4.2Å |
| 420 | Q | 94.9 | Very high | 93.6 | Very high | 69 Ų | 69 | 44.9 Ų | 44.9 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61 | -47.1 | 173.8 | -76.5 | 177.3 | -16.1 | 0 | 0 | 110.7 | V416 E417 M418 Y422 L423 T424 L531 I534 | V416-Q420 HydrophobicContact CG1-CG 4.29Å; V416-Q420 WeakPolarHBondContact O-CB 3.22Å; V416-Q420 VanDerWaalsContact O-CG 3.28Å; V416-Q420 WeakPolarHBondContact O-CG 3.19Å; V416-Q420 PolarHBondContact O-N 3.48Å; E417-Q420 PolarHBondContact O-N 3.22Å; M418-Q420 VanDerWaalsContact C-N 3.35Å; Q420-Y422 PolarHBondContact O-N 2.85Å; Q420-L423 PolarHBondContact O-N 2.75Å; Q420-T424 WeakPolarHBondContact O-CB 3.46Å; Q420-T424 PolarHBondContact O-N 2.89Å; Q420-T424 PolarHBondContact O-OG1 2.82Å; Q420-L531 HydrophobicContact CG-CD2 4.02Å; Q420-I534 HydrophobicContact CB-CD1 4.15Å; Q420-I534 HydrophobicContact CG-CD1 4.25Å; Q420-I534 HydrophobicContact CG-CG2 4.17Å |
| 421 | T | 95.6 | Very high | 94.1 | Very high | 66 Ų | 66 | 41.6 Ų | 41.6 | 41% | 0.405 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.6 | -48.8 | 178.6 | -59 | 0 | 0 | 0 | 0 | 111.9 | E417 M418 S425 | E417-T421 WeakPolarHBondContact O-CB 3.25Å; E417-T421 PolarHBondContact O-N 3.06Å; E417-T421 PolarHBondContact O-OG1 2.88Å; M418-T421 PolarHBondContact O-N 3.29Å; T421-S425 PolarHBondContact O-N 3.44Å; T421-S425 VanDerWaalsContact O-N 3.12Å; T421-S425 PolarHBondContact O-OG 3.05Å; T421-S425 VanDerWaalsContact O-OG 3.07Å |
| 422 | Y | 96.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.9 | -43.4 | 178.8 | -66.5 | -23.1 | 0 | 0 | 0 | 112.3 | I378 E381 I385 M418 L419 Q420 S425 I426 T502 L506 | I378-Y422 HydrophobicContact CD1-CD2 4.38Å; I378-Y422 HydrophobicContact CD1-CG 4.4Å; I378-Y422 HydrophobicContact CG1-CD1 4.29Å; I378-Y422 HydrophobicContact CG1-CD2 4.03Å; I378-Y422 HydrophobicContact CG1-CE1 4.23Å; I378-Y422 HydrophobicContact CG1-CE2 3.97Å; I378-Y422 HydrophobicContact CG1-CG 4.16Å; E381-Y422 PolarHBondContact OE2-OH 3.46Å; I385-Y422 HydrophobicContact CD1-CD2 4.37Å; I385-Y422 HydrophobicContact CD1-CE2 3.91Å; M418-Y422 HydrophobicContact CE-CD1 4.48Å; M418-Y422 HydrophobicContact CE-CE1 3.69Å; M418-Y422 HydrophobicContact CE-CE2 3.96Å; M418-Y422 VanDerWaalsContact CE-OH 3.3Å; M418-Y422 WeakPolarHBondContact CE-OH 3.27Å; M418-Y422 PolarHBondContact O-N 3.46Å; L419-Y422 PolarHBondContact O-N 3.42Å; Q420-Y422 PolarHBondContact O-N 2.85Å; Y422-S425 PolarHBondContact O-N 3.05Å; Y422-I426 VanDerWaalsContact O-CG1 3.28Å; Y422-I426 WeakPolarHBondContact O-CG1 3.22Å; Y422-I426 PolarHBondContact O-N 2.94Å; Y422-T502 HydrophobicContact CD2-CG2 4.12Å; Y422-T502 HydrophobicContact CE2-CG2 4.06Å; Y422-L506 HydrophobicContact CD2-CD1 4.1Å; Y422-L506 HydrophobicContact CG-CD1 4.46Å |
| 423 | L | 95.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 179 | -177 | 62.7 | 0 | 0 | 0 | 111.1 | L419 Q420 S425 I426 I427 L506 A509 I534 I535 | L419-L423 WeakPolarHBondContact O-CB 3.16Å; L419-L423 PolarHBondContact O-N 3.4Å; Q420-L423 PolarHBondContact O-N 2.75Å; L423-S425 PolarHBondContact O-N 3.02Å; L423-I426 PolarHBondContact O-N 3.15Å; L423-I427 HydrophobicContact CD1-CG1 4.24Å; L423-I427 HydrophobicContact CG-CG1 4.4Å; L423-I427 WeakPolarHBondContact O-CG1 3.33Å; L423-I427 PolarHBondContact O-N 2.96Å; L423-L506 HydrophobicContact CB-CD2 4.22Å; L423-A509 HydrophobicContact CD1-CB 4.23Å; L423-A509 HydrophobicContact CD2-CB 3.92Å; L423-I534 HydrophobicContact CB-CD1 4.36Å; L423-I534 HydrophobicContact CD2-CD1 4.21Å; L423-I534 HydrophobicContact CD2-CG1 4.29Å; L423-I534 HydrophobicContact CD2-CG2 4Å; L423-I534 HydrophobicContact CG-CD1 4.41Å; L423-I535 HydrophobicContact CD2-CG1 4.47Å |
| 424 | T | 95.8 | Very high | 95 | Very high | 51 Ų | 51 | 36.9 Ų | 36.9 | 31% | 0.313 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.2 | -49.2 | 174.6 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | Q420 I426 I427 E428 I534 | Q420-T424 WeakPolarHBondContact O-CB 3.46Å; Q420-T424 PolarHBondContact O-N 2.89Å; Q420-T424 PolarHBondContact O-OG1 2.82Å; T424-I426 VanDerWaalsContact C-N 3.28Å; T424-I426 PolarHBondContact O-N 3.26Å; T424-I427 PolarHBondContact O-N 3.43Å; T424-E428 HydrophobicContact CG2-CG 4.15Å; T424-E428 WeakPolarHBondContact CG2-OE1 3.21Å; T424-E428 WeakPolarHBondContact O-CB 3.12Å; T424-E428 WeakPolarHBondContact O-CG 3.27Å; T424-E428 PolarHBondContact O-N 3.39Å; T424-I534 WeakPolarHBondContact OG1-CD1 3.5Å |
| 425 | S | 96.9 | Very high | 94.9 | Very high | 28 Ų | 28 | 39.3 Ų | 39.3 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.2 | -38.8 | 177.7 | -58.2 | 0 | 0 | 0 | 0 | 112.6 | I374 R377 T421 Y422 L423 S429 | I374-S425 WeakPolarHBondContact CD1-O 3.4Å; R377-S425 PolarHBondContact NH2-OG 3.1Å; T421-S425 PolarHBondContact O-N 3.44Å; T421-S425 VanDerWaalsContact O-N 3.12Å; T421-S425 PolarHBondContact O-OG 3.05Å; T421-S425 VanDerWaalsContact O-OG 3.07Å; Y422-S425 PolarHBondContact O-N 3.05Å; L423-S425 PolarHBondContact O-N 3.02Å; S425-S429 VanDerWaalsContact O-CB 3.27Å; S425-S429 WeakPolarHBondContact O-CB 3.37Å; S425-S429 PolarHBondContact O-N 3.07Å |
| 426 | I | 96.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.6 | -50.2 | 177.2 | -69.1 | 166.5 | 0 | 0 | 0 | 110.4 | L371 I374 Y422 L423 T424 S429 I430 I482 L506 L510 | L371-I426 HydrophobicContact CD2-CG2 4.26Å; I374-I426 HydrophobicContact CD1-CG1 4.18Å; I374-I426 HydrophobicContact CG2-CD1 4.38Å; I374-I426 HydrophobicContact CG2-CG1 3.79Å; Y422-I426 VanDerWaalsContact O-CG1 3.28Å; Y422-I426 WeakPolarHBondContact O-CG1 3.22Å; Y422-I426 PolarHBondContact O-N 2.94Å; L423-I426 PolarHBondContact O-N 3.15Å; T424-I426 VanDerWaalsContact C-N 3.28Å; T424-I426 PolarHBondContact O-N 3.26Å; I426-S429 PolarHBondContact O-N 2.92Å; I426-I430 HydrophobicContact CG2-CD1 3.73Å; I426-I430 VanDerWaalsContact O-CG1 3.29Å; I426-I430 WeakPolarHBondContact O-CG1 3.35Å; I426-I430 PolarHBondContact O-N 3.41Å; I426-I482 HydrophobicContact CD1-CD1 4.09Å; I426-I482 HydrophobicContact CG2-CD1 4.01Å; I426-L506 HydrophobicContact CD1-CD1 4.25Å; I426-L510 HydrophobicContact CG2-CD1 4.29Å; I426-L510 HydrophobicContact CG2-CD2 4.28Å |
| 427 | I | 95.5 | Very high | 94.4 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 5% | 0.046 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -48.3 | -179.7 | -65.5 | -60 | 0 | 0 | 0 | 110.5 | L423 T424 S429 I430 V431 F474 L510 V513 | L423-I427 HydrophobicContact CD1-CG1 4.24Å; L423-I427 HydrophobicContact CG-CG1 4.4Å; L423-I427 WeakPolarHBondContact O-CG1 3.33Å; L423-I427 PolarHBondContact O-N 2.96Å; T424-I427 PolarHBondContact O-N 3.43Å; I427-S429 VanDerWaalsContact C-N 3.32Å; I427-S429 PolarHBondContact O-N 3.48Å; I427-I430 PolarHBondContact O-N 3.04Å; I427-I430 VanDerWaalsContact O-N 3.11Å; I427-V431 HydrophobicContact CG2-CG1 4.12Å; I427-V431 WeakPolarHBondContact O-CG1 3.4Å; I427-V431 WeakPolarHBondContact O-CG2 3.13Å; I427-V431 PolarHBondContact O-N 2.99Å; I427-F474 HydrophobicContact CD1-CE1 4.42Å; I427-L510 HydrophobicContact CD1-CD1 3.44Å; I427-L510 VanDerWaalsContact CD1-CD1 3.44Å; I427-V513 HydrophobicContact CD1-CB 4.46Å; I427-V513 HydrophobicContact CD1-CG1 3.92Å; I427-V513 HydrophobicContact CD1-CG2 4.38Å |
| 428 | E | 95.9 | Very high | 94.1 | Very high | 117 Ų | 117 | 38.9 Ų | 38.9 | 55% | 0.547 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.8 | -43.7 | 177.8 | -74.5 | 175.9 | 169.6 | 0 | 0 | 112.1 | T424 I430 S432 | T424-E428 HydrophobicContact CG2-CG 4.15Å; T424-E428 WeakPolarHBondContact CG2-OE1 3.21Å; T424-E428 WeakPolarHBondContact O-CB 3.12Å; T424-E428 WeakPolarHBondContact O-CG 3.27Å; T424-E428 PolarHBondContact O-N 3.39Å; E428-I430 VanDerWaalsContact C-N 3.33Å; E428-I430 PolarHBondContact O-N 3.25Å; E428-S432 VanDerWaalsContact O-CB 3.32Å; E428-S432 WeakPolarHBondContact O-CB 3.24Å; E428-S432 PolarHBondContact O-N 3.3Å; E428-S432 VanDerWaalsContact O-N 3.09Å; E428-S432 PolarHBondContact O-OG 3.4Å |
| 429 | S | 97 | Very high | 93.7 | Very high | 33 Ų | 33 | 39.7 Ų | 39.7 | 23% | 0.231 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.6 | -33.5 | 177.2 | -167.4 | 0 | 0 | 0 | 0 | 112.7 | V370 S425 I426 I427 S432 S433 | V370-S429 PolarHBondContact O-OG 3.06Å; V370-S429 VanDerWaalsContact O-OG 3.04Å; S425-S429 VanDerWaalsContact O-CB 3.27Å; S425-S429 WeakPolarHBondContact O-CB 3.37Å; S425-S429 PolarHBondContact O-N 3.07Å; I426-S429 PolarHBondContact O-N 2.92Å; I427-S429 VanDerWaalsContact C-N 3.32Å; I427-S429 PolarHBondContact O-N 3.48Å; S429-S432 PolarHBondContact O-OG 2.78Å; S429-S433 VanDerWaalsContact O-CB 3.31Å; S429-S433 WeakPolarHBondContact O-CB 3.34Å |
| 430 | I | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.5 | -52.4 | 175.8 | -68.1 | 166.3 | 0 | 0 | 0 | 110.1 | V370 I426 I427 E428 S432 S433 F474 F478 L510 F545 | V370-I430 HydrophobicContact CG1-CB 4.49Å; V370-I430 HydrophobicContact CG1-CG1 3.7Å; I426-I430 HydrophobicContact CG2-CD1 3.73Å; I426-I430 VanDerWaalsContact O-CG1 3.29Å; I426-I430 WeakPolarHBondContact O-CG1 3.35Å; I426-I430 PolarHBondContact O-N 3.41Å; I427-I430 PolarHBondContact O-N 3.04Å; I427-I430 VanDerWaalsContact O-N 3.11Å; E428-I430 VanDerWaalsContact C-N 3.33Å; E428-I430 PolarHBondContact O-N 3.25Å; I430-S432 PolarHBondContact O-N 3.18Å; I430-S433 WeakPolarHBondContact O-CB 3.44Å; I430-S433 PolarHBondContact O-N 3.47Å; I430-S433 PolarHBondContact O-OG 2.89Å; I430-F474 HydrophobicContact CD1-CE1 4.1Å; I430-F474 HydrophobicContact CG2-CE1 4.35Å; I430-F474 HydrophobicContact CG2-CZ 3.9Å; I430-F478 HydrophobicContact CD1-CB 4.45Å; I430-F478 HydrophobicContact CD1-CD1 4.37Å; I430-F478 HydrophobicContact CD1-CD2 3.92Å; I430-F478 HydrophobicContact CD1-CE2 4.14Å; I430-F478 HydrophobicContact CD1-CG 4.04Å; I430-F478 HydrophobicContact CD1-CZ 4.5Å; I430-F478 HydrophobicContact CG1-CD2 4.31Å; I430-F478 HydrophobicContact CG1-CE1 4.28Å; I430-F478 HydrophobicContact CG1-CE2 4.02Å; I430-F478 HydrophobicContact CG1-CZ 4.02Å; I430-F478 HydrophobicContact CG2-CD2 4.36Å; I430-F478 HydrophobicContact CG2-CE2 3.7Å; I430-F478 HydrophobicContact CG2-CZ 4.17Å; I430-L510 HydrophobicContact CD1-CD1 4.32Å; I430-L510 HydrophobicContact CD1-CD2 4.41Å; I430-F545 HydrophobicContact CG2-CE1 4.19Å; I430-F545 HydrophobicContact CG2-CZ 4.2Å; I430-F545 VanDerWaalsContact O-CE2 3.3Å; I430-F545 WeakPolarHBondContact O-CE2 3.48Å |
| 431 | V | 95.4 | Very high | 93.1 | Very high | 40 Ų | 40 | 37.4 Ų | 37.4 | 24% | 0.242 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.7 | -24.2 | -173.5 | -58.5 | 0 | 0 | 0 | 0 | 113.2 | I427 S433 V542 F545 | I427-V431 HydrophobicContact CG2-CG1 4.12Å; I427-V431 WeakPolarHBondContact O-CG1 3.4Å; I427-V431 WeakPolarHBondContact O-CG2 3.13Å; I427-V431 PolarHBondContact O-N 2.99Å; V431-S433 VanDerWaalsContact C-N 3.32Å; V431-V542 HydrophobicContact CG1-CG2 4.48Å; V431-F545 HydrophobicContact CB-CB 4.07Å; V431-F545 HydrophobicContact CB-CD2 4.43Å; V431-F545 HydrophobicContact CB-CG 4.42Å; V431-F545 HydrophobicContact CG1-CB 3.93Å; V431-F545 HydrophobicContact CG1-CG 4.33Å |
| 432 | S | 95.2 | Very high | 92.9 | Very high | 84 Ų | 84 | 35.8 Ų | 35.8 | 59% | 0.587 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -1 | 174.6 | 59.2 | 0 | 0 | 0 | 0 | 114.3 | E428 S429 I430 | E428-S432 VanDerWaalsContact O-CB 3.32Å; E428-S432 WeakPolarHBondContact O-CB 3.24Å; E428-S432 PolarHBondContact O-N 3.3Å; E428-S432 VanDerWaalsContact O-N 3.09Å; E428-S432 PolarHBondContact O-OG 3.4Å; S429-S432 PolarHBondContact O-OG 2.78Å; I430-S432 PolarHBondContact O-N 3.18Å |
| 433 | S | 95.3 | Very high | 92.6 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 4% | 0.035 | 20% | 0.203 | C | C | . | . | trans | -98.8 | 16.1 | -169.3 | 71.3 | 0 | 0 | 0 | 0 | 115.9 | Y366 S429 I430 V431 D435 Q436 C437 | Y366-S433 WeakPolarHBondContact CE2-O 3.13Å; Y366-S433 WeakPolarHBondContact CE2-OG 3.38Å; Y366-S433 PolarHBondContact OH-OG 3.44Å; S429-S433 VanDerWaalsContact O-CB 3.31Å; S429-S433 WeakPolarHBondContact O-CB 3.34Å; I430-S433 WeakPolarHBondContact O-CB 3.44Å; I430-S433 PolarHBondContact O-N 3.47Å; I430-S433 PolarHBondContact O-OG 2.89Å; V431-S433 VanDerWaalsContact C-N 3.32Å; S433-D435 VanDerWaalsContact C-N 3.27Å; S433-D435 PolarHBondContact O-N 3.33Å; S433-Q436 PolarHBondContact O-N 3.12Å; S433-Q436 PolarHBondContact O-OE1 2.85Å; S433-C437 PolarHBondContact O-N 2.96Å | ||
| 434 | V | 93.6 | Very high | 92.5 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -56.8 | -40.5 | -174.8 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | Q436 C437 R442 F545 K548 | V434-Q436 VanDerWaalsContact C-N 3.34Å; V434-C437 WeakPolarHBondContact O-CB 3.28Å; V434-C437 PolarHBondContact O-N 3.4Å; V434-R442 PolarHBondContact O-NH1 2.8Å; V434-F545 HydrophobicContact CG2-CD2 3.46Å; V434-F545 VanDerWaalsContact CG2-CD2 3.46Å; V434-F545 HydrophobicContact CG2-CE2 3.58Å; V434-K548 HydrophobicContact CG1-CB 4.25Å; V434-K548 HydrophobicContact CG2-CB 4.05Å |
| 435 | D | 87.3 | Confident | 92.4 | Very high | 137 Ų | 137 | 33.4 Ų | 33.4 | 73% | 0.733 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -74.9 | -24.5 | -176.2 | -63.8 | -35 | 0 | 0 | 0 | 113.2 | S433 C437 | S433-D435 VanDerWaalsContact C-N 3.27Å; S433-D435 PolarHBondContact O-N 3.33Å; D435-C437 VanDerWaalsContact C-N 3.33Å |
| 436 | Q | 87.3 | Confident | 92.3 | Very high | 93 Ų | 93 | 35.2 Ų | 35.2 | 44% | 0.435 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -82.9 | -15.7 | 177.1 | -63.5 | 73.8 | 18.9 | 0 | 0 | 111.8 | Y366 S433 V434 P438 | Y366-Q436 HydrophobicContact CD2-CB 3.93Å; Y366-Q436 WeakPolarHBondContact CD2-O 3.38Å; Y366-Q436 HydrophobicContact CE2-CB 4.21Å; S433-Q436 PolarHBondContact O-N 3.12Å; S433-Q436 PolarHBondContact O-OE1 2.85Å; V434-Q436 VanDerWaalsContact C-N 3.34Å; Q436-P438 WeakPolarHBondContact O-CD 3.37Å |
| 437 | C | 88.3 | Confident | 92.1 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -69.6 | 125.4 | 179 | -177 | 0 | 0 | 0 | 0 | 110.7 | Y366 S433 V434 D435 S439 M441 R442 L549 | Y366-C437 HydrophobicContact CD2-CB 4.37Å; Y366-C437 HydrophobicContact CE2-CB 4.02Å; S433-C437 PolarHBondContact O-N 2.96Å; V434-C437 WeakPolarHBondContact O-CB 3.28Å; V434-C437 PolarHBondContact O-N 3.4Å; D435-C437 VanDerWaalsContact C-N 3.33Å; C437-S439 PolarHBondContact O-N 2.85Å; C437-M441 WeakPolarHBondContact SG-CE 3.49Å; C437-R442 HydrophobicContact CB-CG 4.1Å; C437-L549 HydrophobicContact CB-CD1 3.92Å |
| 438 | P | 88.1 | Confident | 92.1 | Very high | 32 Ų | 32 | 35.8 Ų | 35.8 | 21% | 0.208 | 20% | 0.196 | C | C | . | . | trans | -49.8 | 128.6 | 177.6 | -29.7 | 32.6 | 0 | 0 | 0 | 113.4 | V362 Q436 V440 M441 R442 | V362-P438 HydrophobicContact CG1-CB 3.71Å; V362-P438 HydrophobicContact CG1-CG 4.02Å; Q436-P438 WeakPolarHBondContact O-CD 3.37Å; P438-V440 VanDerWaalsContact C-N 3.29Å; P438-V440 HydrophobicContact CB-CG1 4.37Å; P438-V440 PolarHBondContact O-N 3.23Å; P438-M441 HydrophobicContact CB-CB 4.25Å; P438-M441 WeakPolarHBondContact O-CA 3.46Å; P438-M441 WeakPolarHBondContact O-CB 3.28Å; P438-M441 PolarHBondContact O-N 3.25Å; P438-R442 PolarHBondContact O-N 2.78Å | ||
| 439 | S | 85.3 | Confident | 92 | Very high | 42 Ų | 42 | 31 Ų | 31 | 29% | 0.294 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.1 | -41.4 | -177 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | C437 M441 R442 V443 | C437-S439 PolarHBondContact O-N 2.85Å; S439-M441 PolarHBondContact O-N 3.04Å; S439-R442 WeakPolarHBondContact O-CB 3.36Å; S439-R442 PolarHBondContact O-N 3.03Å; S439-R442 VanDerWaalsContact O-N 3.16Å; S439-V443 WeakPolarHBondContact O-CG2 3.35Å; S439-V443 PolarHBondContact O-N 2.8Å |
| 440 | V | 86 | Confident | 91.8 | Very high | 22 Ų | 22 | 34 Ų | 34 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.4 | -35.6 | 176.4 | 67.6 | 0 | 0 | 0 | 0 | 112.4 | V323 V324 F358 V362 P438 A444 V557 | V323-V440 HydrophobicContact CG1-CG2 3.89Å; V324-V440 HydrophobicContact CG2-CG2 3.57Å; F358-V440 HydrophobicContact CE2-CG1 4.46Å; F358-V440 HydrophobicContact CE2-CG2 4.33Å; F358-V440 HydrophobicContact CZ-CG1 4.25Å; F358-V440 HydrophobicContact CZ-CG2 4.24Å; V362-V440 HydrophobicContact CG1-CG1 3.6Å; P438-V440 VanDerWaalsContact C-N 3.29Å; P438-V440 HydrophobicContact CB-CG1 4.37Å; P438-V440 PolarHBondContact O-N 3.23Å; V440-A444 PolarHBondContact O-N 2.8Å; V440-A444 VanDerWaalsContact O-N 3.08Å; V440-V557 HydrophobicContact CG2-CG1 4.42Å |
| 441 | M | 90.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -74.2 | -39.5 | 177.3 | -172.2 | 168.1 | 66.9 | 0 | 0 | 111 | F358 M359 Y366 C437 P438 S439 V443 A444 F445 F473 | F358-M441 HydrophobicContact CE1-CB 4.11Å; F358-M441 HydrophobicContact CE1-CG 4Å; F358-M441 HydrophobicContact CZ-CB 4.22Å; M359-M441 HydrophobicContact CB-SD 4.46Å; M359-M441 HydrophobicContact CG-SD 3.98Å; Y366-M441 HydrophobicContact CD1-CE 4.06Å; Y366-M441 HydrophobicContact CE1-CE 4.32Å; C437-M441 WeakPolarHBondContact SG-CE 3.49Å; P438-M441 HydrophobicContact CB-CB 4.25Å; P438-M441 WeakPolarHBondContact O-CA 3.46Å; P438-M441 WeakPolarHBondContact O-CB 3.28Å; P438-M441 PolarHBondContact O-N 3.25Å; S439-M441 PolarHBondContact O-N 3.04Å; M441-V443 PolarHBondContact O-N 2.88Å; M441-A444 PolarHBondContact O-N 2.82Å; M441-F445 HydrophobicContact CG-CD2 3.9Å; M441-F445 HydrophobicContact CG-CE2 3.44Å; M441-F445 VanDerWaalsContact CG-CE2 3.44Å; M441-F445 HydrophobicContact CG-CZ 4.36Å; M441-F445 WeakPolarHBondContact O-CD2 3.35Å; M441-F445 PolarHBondContact O-N 2.99Å; M441-F445 HydrophobicContact SD-CE2 4.07Å; M441-F473 HydrophobicContact CE-CE2 3.56Å; M441-F473 HydrophobicContact CE-CZ 3.86Å; M441-F473 HydrophobicContact SD-CE2 4.03Å |
| 442 | R | 92.6 | Very high | 91.6 | Very high | 32 Ų | 32 | 34.8 Ų | 34.8 | 12% | 0.121 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.8 | -45 | 172.8 | -64.5 | 179.9 | 67.7 | 179.4 | -3.6 | 111.8 | V434 C437 P438 S439 F445 K446 K548 L549 D551 V552 | V434-R442 PolarHBondContact O-NH1 2.8Å; C437-R442 HydrophobicContact CB-CG 4.1Å; P438-R442 PolarHBondContact O-N 2.78Å; S439-R442 WeakPolarHBondContact O-CB 3.36Å; S439-R442 PolarHBondContact O-N 3.03Å; S439-R442 VanDerWaalsContact O-N 3.16Å; R442-F445 PolarHBondContact O-N 2.91Å; R442-K446 PolarHBondContact O-N 3.47Å; R442-K548 PolarHBondContact NH2-O 2.81Å; R442-L549 WeakPolarHBondContact CB-O 3.48Å; R442-L549 HydrophobicContact CG-CD1 4.13Å; R442-L549 HydrophobicContact CG-CG 4.42Å; R442-L549 WeakPolarHBondContact CG-O 3.34Å; R442-L549 PolarHBondContact NE-O 3.35Å; R442-D551 PolarHBondContact NH2-O 2.81Å; R442-V552 HydrophobicContact CB-CB 4.28Å; R442-V552 HydrophobicContact CB-CG1 3.88Å |
| 443 | V | 91.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.7 | -40.4 | 177.9 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | V324 S439 M441 F445 K446 Q447 V552 V557 | V324-V443 HydrophobicContact CG1-CG1 3.92Å; S439-V443 WeakPolarHBondContact O-CG2 3.35Å; S439-V443 PolarHBondContact O-N 2.8Å; M441-V443 PolarHBondContact O-N 2.88Å; V443-F445 VanDerWaalsContact C-N 3.32Å; V443-F445 PolarHBondContact O-N 3.09Å; V443-K446 WeakPolarHBondContact O-CB 3.31Å; V443-K446 PolarHBondContact O-N 3.28Å; V443-Q447 PolarHBondContact O-N 3.49Å; V443-V552 HydrophobicContact CG2-CG1 3.65Å; V443-V552 HydrophobicContact CG2-CG2 4.16Å; V443-V557 HydrophobicContact CB-CG2 4.08Å; V443-V557 HydrophobicContact CG1-CG2 4.32Å; V443-V557 HydrophobicContact CG2-CG2 3.58Å |
| 444 | A | 92.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.4 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L327 F358 V440 M441 Q447 L448 | L327-A444 HydrophobicContact CD1-CB 4.28Å; F358-A444 HydrophobicContact CE1-CB 3.88Å; F358-A444 HydrophobicContact CZ-CB 4.24Å; V440-A444 PolarHBondContact O-N 2.8Å; V440-A444 VanDerWaalsContact O-N 3.08Å; M441-A444 PolarHBondContact O-N 2.82Å; A444-Q447 PolarHBondContact O-N 3.15Å; A444-L448 PolarHBondContact O-N 3.37Å |
| 445 | F | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.4 | -35.3 | 175.1 | -72.3 | -52.5 | 0 | 0 | 0 | 113.6 | M355 M359 M441 R442 V443 Q447 L448 H449 I469 F472 F473 L549 I550 | M355-F445 HydrophobicContact CE-CD1 4.03Å; M355-F445 HydrophobicContact CE-CE1 3.5Å; M355-F445 VanDerWaalsContact CE-CE1 3.5Å; M355-F445 HydrophobicContact CE-CZ 4.11Å; M359-F445 HydrophobicContact CG-CZ 4.26Å; M359-F445 HydrophobicContact SD-CZ 3.75Å; M441-F445 HydrophobicContact CG-CD2 3.9Å; M441-F445 HydrophobicContact CG-CE2 3.44Å; M441-F445 VanDerWaalsContact CG-CE2 3.44Å; M441-F445 HydrophobicContact CG-CZ 4.36Å; M441-F445 WeakPolarHBondContact O-CD2 3.35Å; M441-F445 PolarHBondContact O-N 2.99Å; M441-F445 HydrophobicContact SD-CE2 4.07Å; R442-F445 PolarHBondContact O-N 2.91Å; V443-F445 VanDerWaalsContact C-N 3.32Å; V443-F445 PolarHBondContact O-N 3.09Å; F445-Q447 VanDerWaalsContact C-N 3.3Å; F445-Q447 PolarHBondContact O-N 2.97Å; F445-L448 HydrophobicContact CD1-CD2 4.35Å; F445-L448 PolarHBondContact O-N 3Å; F445-H449 WeakPolarHBondContact O-CB 3.4Å; F445-H449 PolarHBondContact O-N 3.41Å; F445-I469 HydrophobicContact CB-CD1 4.44Å; F445-I469 HydrophobicContact CB-CG1 4.47Å; F445-I469 HydrophobicContact CB-CG2 4.2Å; F445-I469 HydrophobicContact CD1-CB 4.33Å; F445-I469 HydrophobicContact CD1-CG1 4.29Å; F445-I469 HydrophobicContact CD1-CG2 3.68Å; F445-I469 HydrophobicContact CD2-CG2 4.44Å; F445-I469 HydrophobicContact CE1-CG2 4.13Å; F445-I469 HydrophobicContact CG-CG2 3.86Å; F445-F472 HydrophobicContact CE1-CB 3.92Å; F445-F472 HydrophobicContact CZ-CB 4.23Å; F445-F473 HydrophobicContact CD2-CD2 4.39Å; F445-F473 HydrophobicContact CD2-CE2 4.34Å; F445-F473 AromaticContact CE2-CD2 3.43Å; F445-F473 HydrophobicContact CE2-CD2 3.43Å; F445-F473 VanDerWaalsContact CE2-CD2 3.43Å; F445-F473 AromaticContact CE2-CE2 3.49Å; F445-F473 HydrophobicContact CE2-CE2 3.49Å; F445-F473 VanDerWaalsContact CE2-CE2 3.49Å; F445-F473 AromaticContact CZ-CD2 3.62Å; F445-F473 HydrophobicContact CZ-CD2 3.62Å; F445-F473 HydrophobicContact CZ-CE2 4.13Å; F445-L549 HydrophobicContact CD2-CD2 4.18Å; F445-I550 HydrophobicContact CB-CG2 4.23Å |
| 446 | K | 93.8 | Very high | 91.4 | Very high | 67 Ų | 67 | 37.6 Ų | 37.6 | 29% | 0.291 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.3 | -42 | 172.3 | -176.7 | 179.9 | -174.6 | 154.6 | 0 | 111.6 | R442 V443 K450 I550 V552 | R442-K446 PolarHBondContact O-N 3.47Å; V443-K446 WeakPolarHBondContact O-CB 3.31Å; V443-K446 PolarHBondContact O-N 3.28Å; K446-K450 WeakPolarHBondContact O-CB 3.25Å; K446-K450 PolarHBondContact O-N 2.58Å; K446-K450 VanDerWaalsContact O-N 3.14Å; K446-I550 HydrophobicContact CB-CB 4.07Å; K446-I550 HydrophobicContact CB-CG2 4.41Å; K446-I550 VanDerWaalsContact CD-O 3.31Å; K446-I550 WeakPolarHBondContact CD-O 3.03Å; K446-I550 HydrophobicContact CG-CB 4.4Å; K446-V552 HydrophobicContact CD-CG1 4.16Å; K446-V552 PolarHBondContact NZ-O 3.37Å |
| 447 | Q | 92.4 | Very high | 91.5 | Very high | 23 Ų | 23 | 38.6 Ų | 38.6 | 11% | 0.107 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.1 | -48.1 | 175.2 | -69.8 | -49.7 | -50.5 | 0 | 0 | 112 | V324 D328 V443 A444 F445 H449 K450 R451 H554 | V324-Q447 HydrophobicContact CG1-CG 4.47Å; D328-Q447 HydrophobicContact CB-CB 4.46Å; V443-Q447 PolarHBondContact O-N 3.49Å; A444-Q447 PolarHBondContact O-N 3.15Å; F445-Q447 VanDerWaalsContact C-N 3.3Å; F445-Q447 PolarHBondContact O-N 2.97Å; Q447-H449 VanDerWaalsContact C-N 3.31Å; Q447-H449 PolarHBondContact O-N 3.21Å; Q447-K450 WeakPolarHBondContact O-CB 3.1Å; Q447-K450 PolarHBondContact O-N 3.43Å; Q447-K450 VanDerWaalsContact O-N 3.16Å; Q447-R451 WeakPolarHBondContact O-CG 3.19Å; Q447-R451 PolarHBondContact O-N 2.65Å; Q447-H554 PolarHBondContact NE2-NE2 2.71Å |
| 448 | L | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.7 | -45.7 | 176.9 | 177 | 61.1 | 0 | 0 | 0 | 111.8 | N331 F345 A444 F445 K450 R451 V452 A468 F472 | N331-L448 HydrophobicContact CB-CD1 4.04Å; F345-L448 HydrophobicContact CE2-CD1 3.63Å; F345-L448 HydrophobicContact CZ-CD1 3.73Å; A444-L448 PolarHBondContact O-N 3.37Å; F445-L448 HydrophobicContact CD1-CD2 4.35Å; F445-L448 PolarHBondContact O-N 3Å; L448-K450 VanDerWaalsContact C-N 3.33Å; L448-K450 PolarHBondContact O-N 3.36Å; L448-R451 PolarHBondContact O-N 2.86Å; L448-V452 HydrophobicContact CD1-CG2 4.05Å; L448-V452 VanDerWaalsContact O-CG2 3.3Å; L448-V452 WeakPolarHBondContact O-CG2 3.42Å; L448-V452 PolarHBondContact O-N 2.87Å; L448-V452 VanDerWaalsContact O-N 3.1Å; L448-A468 HydrophobicContact CD2-CB 4.42Å; L448-A468 HydrophobicContact CG-CB 4.47Å; L448-F472 HydrophobicContact CD2-CD2 3.86Å; L448-F472 HydrophobicContact CD2-CE2 3.9Å |
| 449 | H | 94.3 | Very high | 91.3 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -53.2 | -52.2 | 175.9 | -174.2 | -85.2 | 0 | 0 | 0 | 111.2 | F445 Q447 R451 V452 E453 K465 I469 I550 | F445-H449 WeakPolarHBondContact O-CB 3.4Å; F445-H449 PolarHBondContact O-N 3.41Å; Q447-H449 VanDerWaalsContact C-N 3.31Å; Q447-H449 PolarHBondContact O-N 3.21Å; H449-R451 PolarHBondContact O-N 2.99Å; H449-V452 PolarHBondContact O-N 3.36Å; H449-E453 IonicContact CE1-OE1 2.7Å; H449-E453 IonicContact CE1-OE2 3.85Å; H449-E453 WeakPolarHBondContact O-CB 3.29Å; H449-E453 PolarHBondContact O-N 3.27Å; H449-K465 WeakPolarHBondContact NE2-CD 3.22Å; H449-K465 WeakPolarHBondContact NE2-CG 3.08Å; H449-I469 HydrophobicContact CB-CD1 3.93Å; H449-I550 HydrophobicContact CB-CD1 4.18Å |
| 450 | K | 93.8 | Very high | 91.2 | Very high | 96 Ų | 96 | 54.4 Ų | 54.4 | 42% | 0.417 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.2 | -46.7 | -178.7 | -179 | -179.6 | 170.1 | -177 | 0 | 111.7 | K446 Q447 L448 V452 E453 E454 | K446-K450 WeakPolarHBondContact O-CB 3.25Å; K446-K450 PolarHBondContact O-N 2.58Å; K446-K450 VanDerWaalsContact O-N 3.14Å; Q447-K450 WeakPolarHBondContact O-CB 3.1Å; Q447-K450 PolarHBondContact O-N 3.43Å; Q447-K450 VanDerWaalsContact O-N 3.16Å; L448-K450 VanDerWaalsContact C-N 3.33Å; L448-K450 PolarHBondContact O-N 3.36Å; K450-V452 VanDerWaalsContact C-N 3.34Å; K450-V452 PolarHBondContact O-N 3.47Å; K450-E453 PolarHBondContact O-N 2.9Å; K450-E454 WeakPolarHBondContact CE-OE1 3.13Å; K450-E454 HydrophobicContact CG-CG 4.46Å; K450-E454 IonicContact NZ-OE1 2.94Å; K450-E454 WeakPolarHBondContact O-CB 3.34Å; K450-E454 VanDerWaalsContact O-CG 3.31Å; K450-E454 WeakPolarHBondContact O-CG 3.41Å; K450-E454 PolarHBondContact O-N 2.99Å |
| 451 | R | 93.6 | Very high | 91.1 | Very high | 54 Ų | 54 | 54.9 Ų | 54.9 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64 | -38.8 | -179.2 | -61.4 | -63.5 | 156.8 | 91.5 | 13 | 112.6 | D328 T332 Q447 L448 H449 E454 Q455 | D328-R451 VanDerWaalsContact CG-CZ 3.4Å; D328-R451 IonicContact OD1-CZ 3.2Å; D328-R451 IonicContact OD1-NE 2.67Å; D328-R451 IonicContact OD1-NH1 3.25Å; D328-R451 PolarHBondContact OD1-NH1 2.85Å; D328-R451 VanDerWaalsContact OD1-NH1 3.11Å; D328-R451 IonicContact OD1-NH2 3.92Å; D328-R451 PolarHBondContact OD1-NH2 2.75Å; D328-R451 IonicContact OD2-CZ 3.22Å; D328-R451 IonicContact OD2-NH1 3.92Å; D328-R451 PolarHBondContact OD2-NH1 3.44Å; D328-R451 IonicContact OD2-NH2 3.91Å; D328-R451 PolarHBondContact OD2-NH2 2.99Å; T332-R451 WeakPolarHBondContact OG1-CD 3.4Å; T332-R451 PolarHBondContact OG1-NH1 2.79Å; Q447-R451 WeakPolarHBondContact O-CG 3.19Å; Q447-R451 PolarHBondContact O-N 2.65Å; L448-R451 PolarHBondContact O-N 2.86Å; H449-R451 PolarHBondContact O-N 2.99Å; R451-E454 PolarHBondContact O-N 3.39Å; R451-Q455 PolarHBondContact O-N 3.07Å; R451-Q455 VanDerWaalsContact O-N 3.14Å |
| 452 | V | 94.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.4 | -40 | 177.4 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | V335 L344 L448 H449 K450 E454 Q455 F456 V464 K465 A468 | V335-V452 HydrophobicContact CG2-CG2 3.82Å; L344-V452 HydrophobicContact CD2-CG1 4.21Å; L344-V452 HydrophobicContact CD2-CG2 3.97Å; L448-V452 HydrophobicContact CD1-CG2 4.05Å; L448-V452 VanDerWaalsContact O-CG2 3.3Å; L448-V452 WeakPolarHBondContact O-CG2 3.42Å; L448-V452 PolarHBondContact O-N 2.87Å; L448-V452 VanDerWaalsContact O-N 3.1Å; H449-V452 PolarHBondContact O-N 3.36Å; K450-V452 VanDerWaalsContact C-N 3.34Å; K450-V452 PolarHBondContact O-N 3.47Å; V452-E454 VanDerWaalsContact C-N 3.35Å; V452-Q455 PolarHBondContact O-N 3.18Å; V452-F456 HydrophobicContact CG1-CD2 3.94Å; V452-F456 PolarHBondContact O-N 2.75Å; V452-V464 HydrophobicContact CG1-CB 4.36Å; V452-V464 HydrophobicContact CG1-CG1 3.74Å; V452-K465 HydrophobicContact CB-CB 4.49Å; V452-K465 HydrophobicContact CG1-CB 4.17Å; V452-A468 HydrophobicContact CG1-CB 4.44Å; V452-A468 HydrophobicContact CG2-CB 3.89Å |
| 453 | E | 92.6 | Very high | 90.7 | Very high | 87 Ų | 87 | 61.7 Ų | 61.7 | 41% | 0.407 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.3 | -36.4 | 175.9 | -176.4 | 168.5 | -115.5 | 0 | 0 | 112.6 | H449 K450 K465 | H449-E453 IonicContact CE1-OE1 2.7Å; H449-E453 IonicContact CE1-OE2 3.85Å; H449-E453 WeakPolarHBondContact O-CB 3.29Å; H449-E453 PolarHBondContact O-N 3.27Å; K450-E453 PolarHBondContact O-N 2.9Å; E453-K465 HydrophobicContact CB-CD 4.32Å; E453-K465 HydrophobicContact CG-CD 4.37Å; E453-K465 IonicContact OE1-NZ 2.92Å; E453-K465 PolarHBondContact OE1-NZ 2.91Å |
| 454 | E | 91.6 | Very high | 90.6 | Very high | 110 Ų | 110 | 62.3 Ų | 62.3 | 51% | 0.514 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.8 | -35.2 | 176.1 | -73.9 | 170.9 | 164.2 | 0 | 0 | 112.8 | K450 R451 V452 | K450-E454 WeakPolarHBondContact CE-OE1 3.13Å; K450-E454 HydrophobicContact CG-CG 4.46Å; K450-E454 IonicContact NZ-OE1 2.94Å; K450-E454 WeakPolarHBondContact O-CB 3.34Å; K450-E454 VanDerWaalsContact O-CG 3.31Å; K450-E454 WeakPolarHBondContact O-CG 3.41Å; K450-E454 PolarHBondContact O-N 2.99Å; R451-E454 PolarHBondContact O-N 3.39Å; V452-E454 VanDerWaalsContact C-N 3.35Å |
| 455 | Q | 91.3 | Very high | 90.5 | Very high | 79 Ų | 79 | 63.7 Ų | 63.7 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -81.9 | -41.6 | -179.2 | -180 | 66.4 | -0.9 | 0 | 0 | 113.1 | V335 R451 V452 | V335-Q455 HydrophobicContact CG1-CB 3.46Å; V335-Q455 VanDerWaalsContact CG1-CB 3.46Å; V335-Q455 HydrophobicContact CG1-CG 3.71Å; R451-Q455 PolarHBondContact O-N 3.07Å; R451-Q455 VanDerWaalsContact O-N 3.14Å; V452-Q455 PolarHBondContact O-N 3.18Å |
| 456 | F | 91.1 | Very high | 90.4 | Very high | 24 Ų | 24 | 65.1 Ų | 65.1 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | trans | -110.3 | 73.2 | -174.2 | -58.7 | -73.6 | 0 | 0 | 0 | 110.9 | V335 T338 P341 L344 V452 E458 N461 V464 | V335-F456 HydrophobicContact CG1-CE2 4.27Å; T338-F456 HydrophobicContact CG2-CZ 4.25Å; P341-F456 HydrophobicContact CB-CD1 4.45Å; P341-F456 HydrophobicContact CB-CE1 4.33Å; P341-F456 HydrophobicContact CG-CD1 3.72Å; P341-F456 HydrophobicContact CG-CE1 3.71Å; P341-F456 HydrophobicContact CG-CG 4.47Å; P341-F456 HydrophobicContact CG-CZ 4.45Å; L344-F456 HydrophobicContact CD2-CE2 4.26Å; V452-F456 HydrophobicContact CG1-CD2 3.94Å; V452-F456 PolarHBondContact O-N 2.75Å; F456-E458 VanDerWaalsContact C-N 3.3Å; F456-E458 PolarHBondContact O-N 2.62Å; F456-N461 HydrophobicContact CB-CB 4.05Å; F456-V464 HydrophobicContact CD2-CG1 4.12Å | ||
| 457 | T | 88.8 | Confident | 90.3 | Very high | 115 Ų | 115 | 64.1 Ų | 64.1 | 71% | 0.706 | 32% | 0.317 | S | S | * | . | trans | -80.6 | -5.3 | -174.9 | 59.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 458 | E | 88.3 | Confident | 90.3 | Very high | 116 Ų | 116 | 63.4 Ų | 63.4 | 54% | 0.542 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -72.7 | 141.4 | -176.7 | -63.6 | -177.8 | 165.8 | 0 | 0 | 111.8 | F456 E460 N461 | F456-E458 VanDerWaalsContact C-N 3.3Å; F456-E458 PolarHBondContact O-N 2.62Å; E458-E460 PolarHBondContact O-N 2.86Å; E458-N461 WeakPolarHBondContact O-CA 3.18Å; E458-N461 WeakPolarHBondContact O-CB 3.38Å; E458-N461 PolarHBondContact O-N 3.49Å; E458-N461 PolarHBondContact OE2-ND2 2.85Å |
| 459 | P | 83.7 | Confident | 90.2 | Very high | 115 Ų | 115 | 63.4 Ų | 63.4 | 75% | 0.747 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -60.6 | -30.3 | -177.7 | -22.7 | 32.5 | 0 | 0 | 0 | 114.1 | N461 E462 | P459-N461 PolarHBondContact O-N 3.45Å; P459-E462 PolarHBondContact O-N 3.42Å |
| 460 | E | 83.3 | Confident | 90.2 | Very high | 181 Ų | 181 | 62.6 Ų | 62.6 | 85% | 0.846 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -65.2 | -19.3 | 176.5 | -60.6 | -178.4 | -173.5 | 0 | 0 | 112.3 | E458 | E458-E460 PolarHBondContact O-N 2.86Š|
| 461 | N | 85.1 | Confident | 90.1 | Very high | 31 Ų | 31 | 58.4 Ų | 58.4 | 17% | 0.166 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -106.3 | 13.2 | -177.3 | -65.1 | -41.7 | 0 | 0 | 0 | 113.2 | P341 F456 E458 P459 D463 V464 | P341-N461 WeakPolarHBondContact CG-OD1 3.48Å; F456-N461 HydrophobicContact CB-CB 4.05Å; E458-N461 WeakPolarHBondContact O-CA 3.18Å; E458-N461 WeakPolarHBondContact O-CB 3.38Å; E458-N461 PolarHBondContact O-N 3.49Å; E458-N461 PolarHBondContact OE2-ND2 2.85Å; P459-N461 PolarHBondContact O-N 3.45Å; N461-D463 PolarHBondContact O-N 3.35Å; N461-D463 VanDerWaalsContact O-N 3.12Å; N461-V464 HydrophobicContact CB-CB 4.45Å; N461-V464 HydrophobicContact CB-CG2 3.71Å; N461-V464 VanDerWaalsContact O-CB 3.26Å; N461-V464 WeakPolarHBondContact O-CB 3.25Å; N461-V464 VanDerWaalsContact O-CG2 3.29Å; N461-V464 WeakPolarHBondContact O-CG2 3.37Å; N461-V464 PolarHBondContact O-N 3.31Å |
| 462 | E | 84.6 | Confident | 90.2 | Very high | 125 Ų | 125 | 55.8 Ų | 55.8 | 58% | 0.584 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -34.3 | -178.8 | -174.9 | 176 | -167.7 | 0 | 0 | 112.7 | P459 V464 K465 | P459-E462 PolarHBondContact O-N 3.42Å; E462-V464 VanDerWaalsContact C-N 3.34Å; E462-V464 PolarHBondContact O-N 3.08Å; E462-K465 WeakPolarHBondContact O-CG 3.12Å |
| 463 | D | 88.4 | Confident | 90 | Very high | 50 Ų | 50 | 55.8 Ų | 55.8 | 27% | 0.267 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -10.6 | -179.8 | -80.7 | -8.8 | 0 | 0 | 0 | 114.1 | N461 K465 Y466 L467 L516 K543 | N461-D463 PolarHBondContact O-N 3.35Å; N461-D463 VanDerWaalsContact O-N 3.12Å; D463-K465 VanDerWaalsContact C-N 3.34Å; D463-K465 PolarHBondContact O-N 3.35Å; D463-Y466 WeakPolarHBondContact O-CB 3.26Å; D463-Y466 PolarHBondContact O-N 3.27Å; D463-Y466 VanDerWaalsContact O-N 3.17Å; D463-L467 WeakPolarHBondContact O-CG 3.41Å; D463-L467 PolarHBondContact O-N 2.91Å; D463-L516 HydrophobicContact CB-CD1 4.25Å; D463-K543 IonicContact OD1-NZ 2.89Å; D463-K543 PolarHBondContact OD1-NZ 2.87Å; D463-K543 IonicContact OD2-NZ 3.58Å; D463-K543 PolarHBondContact OD2-NZ 2.95Å |
| 464 | V | 89.7 | Confident | 90.1 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 9% | 0.085 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.1 | -37.6 | -175.2 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | P341 L344 V452 F456 N461 E462 Y466 L467 A468 | P341-V464 HydrophobicContact CB-CG1 3.98Å; P341-V464 HydrophobicContact CB-CG2 3.68Å; P341-V464 HydrophobicContact CG-CG2 4.48Å; L344-V464 HydrophobicContact CD2-CG1 4.17Å; V452-V464 HydrophobicContact CG1-CB 4.36Å; V452-V464 HydrophobicContact CG1-CG1 3.74Å; F456-V464 HydrophobicContact CD2-CG1 4.12Å; N461-V464 HydrophobicContact CB-CB 4.45Å; N461-V464 HydrophobicContact CB-CG2 3.71Å; N461-V464 VanDerWaalsContact O-CB 3.26Å; N461-V464 WeakPolarHBondContact O-CB 3.25Å; N461-V464 VanDerWaalsContact O-CG2 3.29Å; N461-V464 WeakPolarHBondContact O-CG2 3.37Å; N461-V464 PolarHBondContact O-N 3.31Å; E462-V464 VanDerWaalsContact C-N 3.34Å; E462-V464 PolarHBondContact O-N 3.08Å; V464-Y466 VanDerWaalsContact C-N 3.3Å; V464-Y466 PolarHBondContact O-N 2.8Å; V464-L467 PolarHBondContact O-N 3.39Å; V464-A468 PolarHBondContact O-N 3.22Å |
| 465 | K | 90.1 | Very high | 90.1 | Very high | 33 Ų | 33 | 48.7 Ų | 48.7 | 14% | 0.143 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 175.5 | 67.2 | -161.4 | -173.1 | -175.2 | 0 | 112.6 | H449 V452 E453 E462 D463 | H449-K465 WeakPolarHBondContact NE2-CD 3.22Å; H449-K465 WeakPolarHBondContact NE2-CG 3.08Å; V452-K465 HydrophobicContact CB-CB 4.49Å; V452-K465 HydrophobicContact CG1-CB 4.17Å; E453-K465 HydrophobicContact CB-CD 4.32Å; E453-K465 HydrophobicContact CG-CD 4.37Å; E453-K465 IonicContact OE1-NZ 2.92Å; E453-K465 PolarHBondContact OE1-NZ 2.91Å; E462-K465 WeakPolarHBondContact O-CG 3.12Å; D463-K465 VanDerWaalsContact C-N 3.34Å; D463-K465 PolarHBondContact O-N 3.35Å |
| 466 | Y | 92.4 | Very high | 90.2 | Very high | 30 Ų | 30 | 47.9 Ų | 47.9 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.6 | -42.4 | 173.7 | -65.3 | -72.7 | 0 | 0 | 0 | 111.7 | D463 V464 A468 I469 S470 K543 L546 D547 | D463-Y466 WeakPolarHBondContact O-CB 3.26Å; D463-Y466 PolarHBondContact O-N 3.27Å; D463-Y466 VanDerWaalsContact O-N 3.17Å; V464-Y466 VanDerWaalsContact C-N 3.3Å; V464-Y466 PolarHBondContact O-N 2.8Å; Y466-A468 VanDerWaalsContact C-N 3.3Å; Y466-A468 PolarHBondContact O-N 3.24Å; Y466-I469 PolarHBondContact O-N 2.98Å; Y466-S470 WeakPolarHBondContact O-CB 3.47Å; Y466-S470 PolarHBondContact O-N 3.43Å; Y466-K543 HydrophobicContact CD1-CG 4.46Å; Y466-L546 HydrophobicContact CD1-CB 4.07Å; Y466-L546 HydrophobicContact CD1-CD1 3.97Å; Y466-L546 HydrophobicContact CE1-CB 4.43Å; Y466-D547 WeakPolarHBondContact CE1-OD1 3.44Å; Y466-D547 PolarHBondContact OH-OD1 2.83Å; Y466-D547 PolarHBondContact OH-OD2 3.41Å |
| 467 | L | 91.8 | Very high | 90.3 | Very high | 46 Ų | 46 | 46.8 Ų | 46.8 | 24% | 0.241 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.1 | -34.9 | 178.1 | -71.5 | 168.7 | 0 | 0 | 0 | 112.6 | D463 V464 G471 L516 L518 | D463-L467 WeakPolarHBondContact O-CG 3.41Å; D463-L467 PolarHBondContact O-N 2.91Å; V464-L467 PolarHBondContact O-N 3.39Å; L467-G471 WeakPolarHBondContact O-CA 3.18Å; L467-G471 PolarHBondContact O-N 2.83Å; L467-L516 HydrophobicContact CD2-CB 4.32Å; L467-L516 HydrophobicContact CD2-CD1 3.74Å; L467-L516 HydrophobicContact CD2-CG 3.79Å; L467-L516 HydrophobicContact CG-CD1 3.83Å; L467-L516 HydrophobicContact CG-CG 4.44Å; L467-L518 HydrophobicContact CD1-CD1 3.72Å; L467-L518 HydrophobicContact CD2-CD1 4.07Å; L467-L518 HydrophobicContact CG-CD1 4.47Å |
| 468 | A | 92.4 | Very high | 90.6 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 7% | 0.066 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -50.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L344 L448 V452 V464 Y466 F472 | L344-A468 HydrophobicContact CD2-CB 4.14Å; L448-A468 HydrophobicContact CD2-CB 4.42Å; L448-A468 HydrophobicContact CG-CB 4.47Å; V452-A468 HydrophobicContact CG1-CB 4.44Å; V452-A468 HydrophobicContact CG2-CB 3.89Å; V464-A468 PolarHBondContact O-N 3.22Å; Y466-A468 VanDerWaalsContact C-N 3.3Å; Y466-A468 PolarHBondContact O-N 3.24Å; A468-F472 VanDerWaalsContact O-CD2 3.24Å; A468-F472 WeakPolarHBondContact O-CD2 3.42Å |
| 469 | I | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.2 | -49.2 | 177.9 | -56.3 | 172.7 | 0 | 0 | 0 | 110.5 | F445 H449 Y466 G471 F472 F473 L546 L549 I550 | F445-I469 HydrophobicContact CB-CD1 4.44Å; F445-I469 HydrophobicContact CB-CG1 4.47Å; F445-I469 HydrophobicContact CB-CG2 4.2Å; F445-I469 HydrophobicContact CD1-CB 4.33Å; F445-I469 HydrophobicContact CD1-CG1 4.29Å; F445-I469 HydrophobicContact CD1-CG2 3.68Å; F445-I469 HydrophobicContact CD2-CG2 4.44Å; F445-I469 HydrophobicContact CE1-CG2 4.13Å; F445-I469 HydrophobicContact CG-CG2 3.86Å; H449-I469 HydrophobicContact CB-CD1 3.93Å; Y466-I469 PolarHBondContact O-N 2.98Å; I469-G471 PolarHBondContact O-N 3.4Å; I469-F472 PolarHBondContact O-N 3.44Å; I469-F473 PolarHBondContact O-N 3.05Å; I469-L546 HydrophobicContact CB-CD2 4.32Å; I469-L546 HydrophobicContact CG2-CD2 3.69Å; I469-L549 HydrophobicContact CG2-CD2 4.43Å; I469-I550 HydrophobicContact CD1-CG2 3.84Å |
| 470 | S | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -35.2 | -178.6 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | Y466 F472 F473 F474 L475 G514 | Y466-S470 WeakPolarHBondContact O-CB 3.47Å; Y466-S470 PolarHBondContact O-N 3.43Å; S470-F472 VanDerWaalsContact C-N 3.26Å; S470-F472 PolarHBondContact O-N 3.37Å; S470-F473 PolarHBondContact O-N 3.43Å; S470-F474 WeakPolarHBondContact O-CB 3.48Å; S470-F474 PolarHBondContact O-N 2.95Å; S470-F474 WeakPolarHBondContact OG-CD2 3.3Å; S470-L475 PolarHBondContact O-N 2.84Å; S470-G514 WeakPolarHBondContact CB-O 3.29Å; S470-G514 VanDerWaalsContact OG-C 3.28Å; S470-G514 WeakPolarHBondContact OG-CA 3.43Å; S470-G514 PolarHBondContact OG-O 3.32Å |
| 471 | G | 92.6 | Very high | 92 | Very high | 7 Ų | 7 | 23.2 Ų | 23.2 | 7% | 0.072 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.8 | -32.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L467 I469 L475 R476 | L467-G471 WeakPolarHBondContact O-CA 3.18Å; L467-G471 PolarHBondContact O-N 2.83Å; I469-G471 PolarHBondContact O-N 3.4Å; G471-L475 VanDerWaalsContact O-CB 3.3Å; G471-L475 WeakPolarHBondContact O-CB 3.37Å; G471-R476 WeakPolarHBondContact O-CG 3.5Å; G471-R476 PolarHBondContact O-N 2.86Å; G471-R476 PolarHBondContact O-NH1 3.48Å |
| 472 | F | 93.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -80.2 | -51.7 | 171 | -74.1 | -67.2 | 0 | 0 | 0 | 111.5 | F345 M355 M359 F445 L448 A468 I469 S470 R476 F477 | F345-F472 HydrophobicContact CB-CE2 4.23Å; F345-F472 HydrophobicContact CB-CZ 3.93Å; F345-F472 HydrophobicContact CD1-CE2 4.08Å; F345-F472 AromaticContact CD1-CZ 3.68Å; F345-F472 HydrophobicContact CD1-CZ 3.68Å; F345-F472 AromaticContact CD2-CE2 3.78Å; F345-F472 HydrophobicContact CD2-CE2 3.78Å; F345-F472 HydrophobicContact CD2-CZ 4.17Å; F345-F472 HydrophobicContact CE1-CE2 4.43Å; F345-F472 HydrophobicContact CE1-CZ 4.25Å; F345-F472 HydrophobicContact CE2-CE2 4.22Å; F345-F472 AromaticContact CG-CE2 3.75Å; F345-F472 HydrophobicContact CG-CE2 3.75Å; F345-F472 AromaticContact CG-CZ 3.65Å; F345-F472 HydrophobicContact CG-CZ 3.65Å; M355-F472 HydrophobicContact CB-CD1 3.75Å; M355-F472 HydrophobicContact CB-CE1 3.4Å; M355-F472 HydrophobicContact CB-CE2 4.34Å; M355-F472 HydrophobicContact CB-CG 4.38Å; M355-F472 HydrophobicContact CB-CZ 3.73Å; M355-F472 HydrophobicContact CE-CD2 4.37Å; M355-F472 HydrophobicContact CE-CG 4.48Å; M355-F472 HydrophobicContact CG-CE1 4.18Å; M355-F472 HydrophobicContact CG-CE2 4.29Å; M355-F472 HydrophobicContact CG-CZ 3.98Å; M359-F472 HydrophobicContact CE-CB 3.71Å; M359-F472 HydrophobicContact CE-CD1 3.92Å; M359-F472 HydrophobicContact CE-CG 4.27Å; M359-F472 WeakPolarHBondContact CE-O 3.36Å; M359-F472 HydrophobicContact SD-CB 3.89Å; F445-F472 HydrophobicContact CE1-CB 3.92Å; F445-F472 HydrophobicContact CZ-CB 4.23Å; L448-F472 HydrophobicContact CD2-CD2 3.86Å; L448-F472 HydrophobicContact CD2-CE2 3.9Å; A468-F472 VanDerWaalsContact O-CD2 3.24Å; A468-F472 WeakPolarHBondContact O-CD2 3.42Å; I469-F472 PolarHBondContact O-N 3.44Å; S470-F472 VanDerWaalsContact C-N 3.26Å; S470-F472 PolarHBondContact O-N 3.37Å; F472-R476 CarbonylContact O-C 3.56Å; F472-R476 WeakPolarHBondContact O-CB 3.41Å; F472-R476 PolarHBondContact O-N 2.92Å; F472-F477 PolarHBondContact O-N 3Å |
| 473 | F | 91.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -68.3 | -48 | -171.8 | -132.5 | -118 | 0 | 0 | 0 | 113.5 | M359 Y366 M441 F445 I469 S470 F477 F478 F545 L549 | M359-F473 HydrophobicContact SD-CD2 4.4Å; Y366-F473 HydrophobicContact CD1-CZ 4.48Å; Y366-F473 AromaticContact CE1-CE1 3.93Å; Y366-F473 HydrophobicContact CE1-CE1 3.93Å; Y366-F473 HydrophobicContact CE1-CE2 4.49Å; Y366-F473 AromaticContact CE1-CZ 3.51Å; Y366-F473 HydrophobicContact CE1-CZ 3.51Å; M441-F473 HydrophobicContact CE-CE2 3.56Å; M441-F473 HydrophobicContact CE-CZ 3.86Å; M441-F473 HydrophobicContact SD-CE2 4.03Å; F445-F473 HydrophobicContact CD2-CD2 4.39Å; F445-F473 HydrophobicContact CD2-CE2 4.34Å; F445-F473 AromaticContact CE2-CD2 3.43Å; F445-F473 HydrophobicContact CE2-CD2 3.43Å; F445-F473 VanDerWaalsContact CE2-CD2 3.43Å; F445-F473 AromaticContact CE2-CE2 3.49Å; F445-F473 HydrophobicContact CE2-CE2 3.49Å; F445-F473 VanDerWaalsContact CE2-CE2 3.49Å; F445-F473 AromaticContact CZ-CD2 3.62Å; F445-F473 HydrophobicContact CZ-CD2 3.62Å; F445-F473 HydrophobicContact CZ-CE2 4.13Å; I469-F473 PolarHBondContact O-N 3.05Å; S470-F473 PolarHBondContact O-N 3.43Å; F473-F477 WeakPolarHBondContact O-CB 3.31Å; F473-F478 AromaticContact CD1-CD2 3.94Å; F473-F478 HydrophobicContact CD1-CD2 3.94Å; F473-F478 AromaticContact CD1-CE2 3.32Å; F473-F478 HydrophobicContact CD1-CE2 3.32Å; F473-F478 HydrophobicContact CD1-CZ 4.23Å; F473-F478 HydrophobicContact CE1-CD2 4.37Å; F473-F478 AromaticContact CE1-CE2 3.35Å; F473-F478 HydrophobicContact CE1-CE2 3.35Å; F473-F478 AromaticContact CE1-CZ 3.82Å; F473-F478 HydrophobicContact CE1-CZ 3.82Å; F473-F478 HydrophobicContact CG-CE2 4.27Å; F473-F478 HydrophobicContact CZ-CE2 4.33Å; F473-F478 VanDerWaalsContact O-CD2 3.28Å; F473-F478 WeakPolarHBondContact O-CD2 3.22Å; F473-F478 PolarHBondContact O-N 2.9Å; F473-F545 AromaticContact CD1-CE1 4Å; F473-F545 HydrophobicContact CD1-CE1 4Å; F473-F545 HydrophobicContact CD1-CZ 4.25Å; F473-F545 AromaticContact CE1-CE1 3.97Å; F473-F545 HydrophobicContact CE1-CE1 3.97Å; F473-F545 AromaticContact CE1-CZ 3.74Å; F473-F545 HydrophobicContact CE1-CZ 3.74Å; F473-L549 HydrophobicContact CE1-CD2 4.45Å; F473-L549 HydrophobicContact CZ-CD2 4.34Å |
| 474 | F | 93.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.099 | C | C | . | . | I | π-helix | trans | -89 | -49.4 | -177.6 | -73.8 | -97.3 | 0 | 0 | 0 | 111.8 | I427 I430 S470 A479 L510 V542 | I427-F474 HydrophobicContact CD1-CE1 4.42Å; I430-F474 HydrophobicContact CD1-CE1 4.1Å; I430-F474 HydrophobicContact CG2-CE1 4.35Å; I430-F474 HydrophobicContact CG2-CZ 3.9Å; S470-F474 WeakPolarHBondContact O-CB 3.48Å; S470-F474 PolarHBondContact O-N 2.95Å; S470-F474 WeakPolarHBondContact OG-CD2 3.3Å; F474-A479 WeakPolarHBondContact O-CB 3.49Å; F474-A479 PolarHBondContact O-N 3.16Å; F474-L510 HydrophobicContact CD1-CD1 3.66Å; F474-L510 HydrophobicContact CD1-CD2 4.38Å; F474-L510 HydrophobicContact CD1-CG 3.88Å; F474-L510 HydrophobicContact CE1-CD1 3.76Å; F474-L510 HydrophobicContact CE1-CG 4.45Å; F474-V542 HydrophobicContact CE1-CG2 4.43Å; F474-V542 HydrophobicContact CE2-CG1 3.81Å; F474-V542 HydrophobicContact CZ-CG1 3.9Å; F474-V542 HydrophobicContact CZ-CG2 3.94Å |
| 475 | L | 91.9 | Very high | 92.8 | Very high | 49 Ų | 49 | 18.6 Ų | 18.6 | 26% | 0.257 | 10% | 0.097 | S | C | . | . | I | π-helix | trans | -78.6 | -31.4 | -172.2 | -50.8 | 171.6 | 0 | 0 | 0 | 113.4 | S470 G471 P480 Q511 N515 | S470-L475 PolarHBondContact O-N 2.84Å; G471-L475 VanDerWaalsContact O-CB 3.3Å; G471-L475 WeakPolarHBondContact O-CB 3.37Å; L475-P480 VanDerWaalsContact O-CD 3.25Å; L475-P480 WeakPolarHBondContact O-CD 3.27Å; L475-P480 WeakPolarHBondContact O-CG 3.33Å; L475-Q511 HydrophobicContact CD2-CB 3.82Å; L475-Q511 HydrophobicContact CD2-CG 3.82Å; L475-N515 WeakPolarHBondContact CD1-OD1 3.24Å |
| 476 | R | 92.6 | Very high | 92.4 | Very high | 61 Ų | 61 | 18.4 Ų | 18.4 | 23% | 0.23 | 10% | 0.096 | C | C | . | . | I | π-helix | trans | -108.9 | -9.9 | -175 | -64.4 | 178.1 | -178.7 | 102.2 | 11.8 | 114.6 | F345 M359 G471 F472 | F345-R476 PolarHBondContact O-NH2 3.07Å; M359-R476 HydrophobicContact CE-CB 4.23Å; G471-R476 WeakPolarHBondContact O-CG 3.5Å; G471-R476 PolarHBondContact O-N 2.86Å; G471-R476 PolarHBondContact O-NH1 3.48Å; F472-R476 CarbonylContact O-C 3.56Å; F472-R476 WeakPolarHBondContact O-CB 3.41Å; F472-R476 PolarHBondContact O-N 2.92Å |
| 477 | F | 93.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -122.2 | -70.4 | -178 | -164.1 | -123.7 | 0 | 0 | 0 | 112.3 | M359 G363 Y366 L367 F472 F473 A481 | M359-F477 HydrophobicContact CB-CD2 4.12Å; M359-F477 HydrophobicContact CB-CE2 4.32Å; M359-F477 HydrophobicContact CE-CB 4.29Å; M359-F477 HydrophobicContact SD-CB 4.15Å; M359-F477 HydrophobicContact SD-CG 4.43Å; G363-F477 WeakPolarHBondContact O-CZ 3.22Å; Y366-F477 HydrophobicContact CD1-CE1 4.24Å; L367-F477 HydrophobicContact CB-CE1 3.9Å; L367-F477 HydrophobicContact CB-CE2 4.5Å; L367-F477 HydrophobicContact CB-CZ 3.66Å; L367-F477 HydrophobicContact CD1-CD1 4.05Å; L367-F477 HydrophobicContact CD1-CE1 3.8Å; L367-F477 HydrophobicContact CD1-CZ 4.07Å; L367-F477 HydrophobicContact CD2-CE2 4.16Å; L367-F477 HydrophobicContact CD2-CZ 4.11Å; L367-F477 HydrophobicContact CG-CE1 4.34Å; L367-F477 HydrophobicContact CG-CZ 4.17Å; F472-F477 PolarHBondContact O-N 3Å; F473-F477 WeakPolarHBondContact O-CB 3.31Å; F477-A481 VanDerWaalsContact O-CB 3.29Å; F477-A481 WeakPolarHBondContact O-CB 3.43Å; F477-A481 PolarHBondContact O-N 2.86Å |
| 478 | F | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -69.2 | -48.4 | -175.8 | -70.9 | -55.7 | 0 | 0 | 0 | 114.9 | Y366 L367 V370 L371 I430 F473 A481 I482 L510 | Y366-F478 HydrophobicContact CE1-CE1 4.26Å; Y366-F478 AromaticContact CE1-CZ 3.65Å; Y366-F478 HydrophobicContact CE1-CZ 3.65Å; Y366-F478 AromaticContact CZ-CZ 3.96Å; L367-F478 HydrophobicContact CD1-CD1 3.45Å; L367-F478 VanDerWaalsContact CD1-CD1 3.45Å; L367-F478 HydrophobicContact CD1-CE1 3.74Å; V370-F478 HydrophobicContact CB-CE1 4.33Å; V370-F478 HydrophobicContact CG1-CE1 3.98Å; V370-F478 HydrophobicContact CG1-CZ 4.3Å; L371-F478 HydrophobicContact CD1-CD1 3.83Å; L371-F478 HydrophobicContact CD2-CD1 4.26Å; L371-F478 HydrophobicContact CG-CD1 4Å; L371-F478 HydrophobicContact CG-CE1 4.37Å; I430-F478 HydrophobicContact CD1-CB 4.45Å; I430-F478 HydrophobicContact CD1-CD1 4.37Å; I430-F478 HydrophobicContact CD1-CD2 3.92Å; I430-F478 HydrophobicContact CD1-CE2 4.14Å; I430-F478 HydrophobicContact CD1-CG 4.04Å; I430-F478 HydrophobicContact CD1-CZ 4.5Å; I430-F478 HydrophobicContact CG1-CD2 4.31Å; I430-F478 HydrophobicContact CG1-CE1 4.28Å; I430-F478 HydrophobicContact CG1-CE2 4.02Å; I430-F478 HydrophobicContact CG1-CZ 4.02Å; I430-F478 HydrophobicContact CG2-CD2 4.36Å; I430-F478 HydrophobicContact CG2-CE2 3.7Å; I430-F478 HydrophobicContact CG2-CZ 4.17Å; F473-F478 AromaticContact CD1-CD2 3.94Å; F473-F478 HydrophobicContact CD1-CD2 3.94Å; F473-F478 AromaticContact CD1-CE2 3.32Å; F473-F478 HydrophobicContact CD1-CE2 3.32Å; F473-F478 HydrophobicContact CD1-CZ 4.23Å; F473-F478 HydrophobicContact CE1-CD2 4.37Å; F473-F478 AromaticContact CE1-CE2 3.35Å; F473-F478 HydrophobicContact CE1-CE2 3.35Å; F473-F478 AromaticContact CE1-CZ 3.82Å; F473-F478 HydrophobicContact CE1-CZ 3.82Å; F473-F478 HydrophobicContact CG-CE2 4.27Å; F473-F478 HydrophobicContact CZ-CE2 4.33Å; F473-F478 VanDerWaalsContact O-CD2 3.28Å; F473-F478 WeakPolarHBondContact O-CD2 3.22Å; F473-F478 PolarHBondContact O-N 2.9Å; F478-A481 WeakPolarHBondContact O-CB 3.42Å; F478-A481 PolarHBondContact O-N 3.02Å; F478-I482 WeakPolarHBondContact O-CG1 3.27Å; F478-I482 PolarHBondContact O-N 3.1Å; F478-L510 HydrophobicContact CB-CD2 3.89Å |
| 479 | A | 95.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.2 | -42.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F474 A481 I482 L483 L510 Q511 | F474-A479 WeakPolarHBondContact O-CB 3.49Å; F474-A479 PolarHBondContact O-N 3.16Å; A479-A481 VanDerWaalsContact C-N 3.28Å; A479-A481 PolarHBondContact O-N 2.91Å; A479-I482 PolarHBondContact O-N 3.24Å; A479-L483 WeakPolarHBondContact O-CB 3.32Å; A479-L483 PolarHBondContact O-N 2.9Å; A479-L510 HydrophobicContact CB-CD2 4.36Å; A479-Q511 HydrophobicContact CB-CG 3.59Å |
| 480 | P | 94.4 | Very high | 90.5 | Very high | 32 Ų | 32 | 23.3 Ų | 23.3 | 21% | 0.208 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.2 | -36.8 | 171.2 | -26.5 | 37.6 | 0 | 0 | 0 | 113.1 | L475 L483 T484 F488 | L475-P480 VanDerWaalsContact O-CD 3.25Å; L475-P480 WeakPolarHBondContact O-CD 3.27Å; L475-P480 WeakPolarHBondContact O-CG 3.33Å; P480-L483 PolarHBondContact O-N 3.41Å; P480-T484 PolarHBondContact O-N 2.82Å; P480-T484 PolarHBondContact O-OG1 3.07Å; P480-F488 VanDerWaalsContact C-CE2 3.5Å; P480-F488 HydrophobicContact CB-CE2 3.81Å; P480-F488 HydrophobicContact CB-CZ 3.72Å |
| 481 | A | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.2 | -36.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | L367 L371 F477 F478 A479 T484 P485 F488 L490 | L367-A481 HydrophobicContact CD1-CB 3.88Å; L367-A481 HydrophobicContact CD2-CB 3.78Å; L367-A481 HydrophobicContact CG-CB 4.23Å; L371-A481 HydrophobicContact CD1-CB 3.88Å; F477-A481 VanDerWaalsContact O-CB 3.29Å; F477-A481 WeakPolarHBondContact O-CB 3.43Å; F477-A481 PolarHBondContact O-N 2.86Å; F478-A481 WeakPolarHBondContact O-CB 3.42Å; F478-A481 PolarHBondContact O-N 3.02Å; A479-A481 VanDerWaalsContact C-N 3.28Å; A479-A481 PolarHBondContact O-N 2.91Å; A481-T484 CarbonylContact O-C 3.44Å; A481-P485 WeakPolarHBondContact O-CA 3.48Å; A481-P485 WeakPolarHBondContact O-CG 3.39Å; A481-F488 VanDerWaalsContact CA-CD2 3.41Å; A481-F488 HydrophobicContact CB-CB 4Å; A481-F488 HydrophobicContact CB-CD1 3.8Å; A481-F488 HydrophobicContact CB-CD2 3.92Å; A481-F488 HydrophobicContact CB-CE1 4.18Å; A481-F488 HydrophobicContact CB-CE2 4.3Å; A481-F488 HydrophobicContact CB-CG 3.62Å; A481-F488 HydrophobicContact CB-CZ 4.42Å; A481-L490 HydrophobicContact CB-CD1 4.05Å |
| 482 | I | 96 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.8 | -43 | 172.9 | -68.4 | 160.7 | 0 | 0 | 0 | 110.7 | L371 I375 I426 F478 A479 T484 P485 L503 L506 A507 L510 | L371-I482 HydrophobicContact CD1-CD1 4.44Å; L371-I482 HydrophobicContact CD1-CG1 3.91Å; L371-I482 HydrophobicContact CD2-CD1 4.25Å; L371-I482 HydrophobicContact CD2-CG1 4.32Å; I375-I482 HydrophobicContact CD1-CG1 4.23Å; I375-I482 HydrophobicContact CD1-CG2 4.4Å; I426-I482 HydrophobicContact CD1-CD1 4.09Å; I426-I482 HydrophobicContact CG2-CD1 4.01Å; F478-I482 WeakPolarHBondContact O-CG1 3.27Å; F478-I482 PolarHBondContact O-N 3.1Å; A479-I482 PolarHBondContact O-N 3.24Å; I482-T484 VanDerWaalsContact C-N 3.33Å; I482-T484 PolarHBondContact O-N 2.97Å; I482-P485 VanDerWaalsContact O-CD 3.29Å; I482-P485 WeakPolarHBondContact O-CD 3.32Å; I482-P485 VanDerWaalsContact O-CG 3.3Å; I482-P485 WeakPolarHBondContact O-CG 3.45Å; I482-L503 HydrophobicContact CG2-CD2 4.1Å; I482-L503 WeakPolarHBondContact O-CB 3.16Å; I482-L503 WeakPolarHBondContact O-CD2 3.21Å; I482-L506 HydrophobicContact CG2-CB 4.05Å; I482-A507 HydrophobicContact CB-CB 4.46Å; I482-A507 HydrophobicContact CG2-CB 4.24Å; I482-L510 HydrophobicContact CD1-CD2 3.32Å |
| 483 | L | 92.4 | Very high | 87.9 | Confident | 66 Ų | 66 | 33.9 Ų | 33.9 | 35% | 0.346 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.9 | -41.2 | -178.7 | -178.5 | 63.4 | 0 | 0 | 0 | 111.9 | A479 P480 L504 A507 | A479-L483 WeakPolarHBondContact O-CB 3.32Å; A479-L483 PolarHBondContact O-N 2.9Å; P480-L483 PolarHBondContact O-N 3.41Å; L483-L504 HydrophobicContact CD1-CB 4Å; L483-L504 HydrophobicContact CD1-CD1 3.55Å; L483-L504 HydrophobicContact CD1-CG 4.39Å; L483-A507 HydrophobicContact CB-CB 3.83Å; L483-A507 HydrophobicContact CD1-CB 4.36Å |
| 484 | T | 87.6 | Confident | 87.2 | Confident | 52 Ų | 52 | 36.3 Ų | 36.3 | 32% | 0.319 | 18% | 0.18 | S | C | . | . | trans | -131.1 | 68.6 | -176.7 | 52.5 | 0 | 0 | 0 | 0 | 111.9 | P480 A481 I482 K486 L487 | P480-T484 PolarHBondContact O-N 2.82Å; P480-T484 PolarHBondContact O-OG1 3.07Å; A481-T484 CarbonylContact O-C 3.44Å; I482-T484 VanDerWaalsContact C-N 3.33Å; I482-T484 PolarHBondContact O-N 2.97Å; T484-K486 PolarHBondContact O-N 3.42Å; T484-L487 HydrophobicContact CG2-CD1 4.28Å; T484-L487 PolarHBondContact O-N 3.34Å | ||
| 485 | P | 89.9 | Confident | 86.5 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.032 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28.8 | -171.4 | -24.6 | 35.6 | 0 | 0 | 0 | 114.2 | I375 F379 A481 I482 F488 Q489 L490 R491 L503 | I375-P485 HydrophobicContact CD1-CG 4.24Å; I375-P485 HydrophobicContact CG2-CB 3.84Å; I375-P485 HydrophobicContact CG2-CG 4.01Å; F379-P485 HydrophobicContact CE2-CG 4.22Å; A481-P485 WeakPolarHBondContact O-CA 3.48Å; A481-P485 WeakPolarHBondContact O-CG 3.39Å; I482-P485 VanDerWaalsContact O-CD 3.29Å; I482-P485 WeakPolarHBondContact O-CD 3.32Å; I482-P485 VanDerWaalsContact O-CG 3.3Å; I482-P485 WeakPolarHBondContact O-CG 3.45Å; P485-F488 CarbonylContact O-C 3.6Å; P485-F488 PolarHBondContact O-N 2.85Å; P485-Q489 PolarHBondContact O-N 2.96Å; P485-L490 HydrophobicContact CB-CB 3.92Å; P485-L490 HydrophobicContact CB-CD1 4.34Å; P485-L490 WeakPolarHBondContact O-CB 3.43Å; P485-L490 PolarHBondContact O-N 3.46Å; P485-R491 HydrophobicContact CB-CB 4.45Å; P485-R491 HydrophobicContact CB-CG 4.09Å; P485-L503 HydrophobicContact CG-CD1 3.73Å; P485-L503 HydrophobicContact CG-CD2 4.35Å |
| 486 | K | 81.8 | Confident | 85.8 | Confident | 30 Ų | 30 | 37.2 Ų | 37.2 | 13% | 0.13 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -43.3 | 176.7 | 179.5 | 168.8 | 174.8 | 172.8 | 0 | 112.9 | A43 E55 T484 F488 Q489 R491 | A43-K486 HydrophobicContact CB-CD 4.09Å; A43-K486 VanDerWaalsContact N-NZ 3.1Å; E55-K486 VanDerWaalsContact CD-CE 3.46Å; E55-K486 WeakPolarHBondContact OE1-CE 3.39Å; E55-K486 IonicContact OE1-NZ 3.32Å; E55-K486 PolarHBondContact OE1-NZ 3.25Å; E55-K486 VanDerWaalsContact OE2-CE 3.27Å; E55-K486 WeakPolarHBondContact OE2-CE 3.37Å; E55-K486 IonicContact OE2-NZ 2.68Å; E55-K486 PolarHBondContact OE2-NZ 3.14Å; T484-K486 PolarHBondContact O-N 3.42Å; K486-F488 PolarHBondContact O-N 3.43Å; K486-Q489 PolarHBondContact O-N 3.29Å; K486-R491 WeakPolarHBondContact CA-O 3.32Å |
| 487 | L | 81.6 | Confident | 85.1 | Confident | 94 Ų | 94 | 39.7 Ų | 39.7 | 49% | 0.492 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -22.5 | -179.3 | -64.5 | -178.5 | 0 | 0 | 0 | 112.4 | T484 | T484-L487 HydrophobicContact CG2-CD1 4.28Å; T484-L487 PolarHBondContact O-N 3.34Å |
| 488 | F | 83.6 | Confident | 84.6 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 14.6 | 174.2 | -71.2 | -98.5 | 0 | 0 | 0 | 112.8 | M364 L367 H368 P480 A481 P485 K486 L490 | M364-F488 VanDerWaalsContact CE-O 3.25Å; M364-F488 WeakPolarHBondContact CE-O 3.4Å; M364-F488 HydrophobicContact SD-CD1 3.98Å; L367-F488 HydrophobicContact CD2-CB 3.95Å; L367-F488 HydrophobicContact CD2-CD1 3.45Å; L367-F488 VanDerWaalsContact CD2-CD1 3.45Å; L367-F488 HydrophobicContact CD2-CE1 4.32Å; L367-F488 HydrophobicContact CD2-CG 4.07Å; H368-F488 PolarHBondContact NE2-O 3.5Å; P480-F488 VanDerWaalsContact C-CE2 3.5Å; P480-F488 HydrophobicContact CB-CE2 3.81Å; P480-F488 HydrophobicContact CB-CZ 3.72Å; A481-F488 VanDerWaalsContact CA-CD2 3.41Å; A481-F488 HydrophobicContact CB-CB 4Å; A481-F488 HydrophobicContact CB-CD1 3.8Å; A481-F488 HydrophobicContact CB-CD2 3.92Å; A481-F488 HydrophobicContact CB-CE1 4.18Å; A481-F488 HydrophobicContact CB-CE2 4.3Å; A481-F488 HydrophobicContact CB-CG 3.62Å; A481-F488 HydrophobicContact CB-CZ 4.42Å; P485-F488 CarbonylContact O-C 3.6Å; P485-F488 PolarHBondContact O-N 2.85Å; K486-F488 PolarHBondContact O-N 3.43Å; F488-L490 HydrophobicContact CB-CD1 4.34Å; F488-L490 HydrophobicContact CB-CG 4.29Å; F488-L490 PolarHBondContact O-N 2.96Å; F488-L490 VanDerWaalsContact O-N 3.08Å |
| 489 | Q | 79 | Confident | 84.3 | Confident | 73 Ų | 73 | 44.5 Ų | 44.5 | 34% | 0.341 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 20.6 | 179.2 | -55.5 | 178.9 | 2.7 | 0 | 0 | 114.6 | H368 P485 K486 R491 D720 W721 | H368-Q489 PolarHBondContact CE1-O 2.86Å; P485-Q489 PolarHBondContact O-N 2.96Å; K486-Q489 PolarHBondContact O-N 3.29Å; Q489-R491 VanDerWaalsContact C-N 3.31Å; Q489-D720 PolarHBondContact NE2-OD1 2.82Å; Q489-W721 VanDerWaalsContact NE2-CD1 3.3Å |
| 490 | L | 85.1 | Confident | 83.9 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -76.2 | -23 | 175.5 | -64 | 170.9 | 0 | 0 | 0 | 111.7 | H368 L371 K372 I375 A481 P485 F488 | H368-L490 HydrophobicContact CB-CD2 4.34Å; L371-L490 HydrophobicContact CB-CD1 4.1Å; L371-L490 HydrophobicContact CB-CD2 4.38Å; L371-L490 HydrophobicContact CD1-CD1 4.2Å; K372-L490 HydrophobicContact CB-CD2 3.98Å; K372-L490 HydrophobicContact CG-CD2 4.48Å; I375-L490 HydrophobicContact CG1-CD1 4.38Å; A481-L490 HydrophobicContact CB-CD1 4.05Å; P485-L490 HydrophobicContact CB-CB 3.92Å; P485-L490 HydrophobicContact CB-CD1 4.34Å; P485-L490 WeakPolarHBondContact O-CB 3.43Å; P485-L490 PolarHBondContact O-N 3.46Å; F488-L490 HydrophobicContact CB-CD1 4.34Å; F488-L490 HydrophobicContact CB-CG 4.29Å; F488-L490 PolarHBondContact O-N 2.96Å; F488-L490 VanDerWaalsContact O-N 3.08Å |
| 491 | R | 83.1 | Confident | 83.6 | Confident | 45 Ų | 45 | 47.3 Ų | 47.3 | 17% | 0.17 | 24% | 0.244 | C | C | . | . | trans | -144.5 | 148.4 | 179.6 | -65.9 | -65.5 | -63.9 | -150.2 | -2.8 | 111.5 | I375 N376 F379 D380 P485 K486 Q489 | I375-R491 HydrophobicContact CG2-CG 3.68Å; N376-R491 WeakPolarHBondContact OD1-CD 3.49Å; N376-R491 PolarHBondContact OD1-NH1 2.82Å; F379-R491 VanDerWaalsContact CB-NH1 3.32Å; F379-R491 VanDerWaalsContact CB-NH2 3.32Å; F379-R491 HydrophobicContact CD2-CG 4.06Å; F379-R491 HydrophobicContact CE1-CG 4.25Å; F379-R491 HydrophobicContact CE2-CG 3.72Å; F379-R491 HydrophobicContact CG-CG 4.45Å; F379-R491 VanDerWaalsContact CG-CZ 3.42Å; F379-R491 HydrophobicContact CZ-CB 4.24Å; F379-R491 HydrophobicContact CZ-CG 3.81Å; D380-R491 IonicContact OD1-NH1 3.54Å; P485-R491 HydrophobicContact CB-CB 4.45Å; P485-R491 HydrophobicContact CB-CG 4.09Å; K486-R491 WeakPolarHBondContact CA-O 3.32Å; Q489-R491 VanDerWaalsContact C-N 3.31Å | ||
| 492 | D | 70.8 | Confident | 83.6 | Confident | 100 Ų | 100 | 47.5 Ų | 47.5 | 54% | 0.535 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -78 | -23.9 | 178 | -54.4 | -36.3 | 0 | 0 | 0 | 113.3 | ||
| 493 | Q | 71.9 | Confident | 83.6 | Confident | 84 Ų | 84 | 47.5 Ų | 47.5 | 39% | 0.393 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -120.9 | 149.7 | -173 | -65.7 | 179.1 | -5 | 0 | 0 | 111.2 | ||
| 494 | H | 77.7 | Confident | 83.6 | Confident | 51 Ų | 51 | 47 Ų | 47 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 147.2 | 167.9 | -75.5 | 109.9 | 0 | 0 | 0 | 110.4 | A43 W53 E55 | A43-H494 HydrophobicContact CB-CB 4.5Å; W53-H494 PolarHBondContact O-CE1 3.39Å; W53-H494 PolarHBondContact O-NE2 2.79Å; E55-H494 IonicContact OE1-CE1 3.93Å; E55-H494 PolarHBondContact OE1-CE1 3.35Å; E55-H494 IonicContact OE1-ND1 3.81Å |
| 495 | A | 78.1 | Confident | 83.9 | Confident | 26 Ų | 26 | 44.5 Ų | 44.5 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -63 | 138.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110 | F379 T499 L503 | F379-A495 HydrophobicContact CE1-CB 4.08Å; F379-A495 HydrophobicContact CE2-CB 4.39Å; F379-A495 HydrophobicContact CZ-CB 3.68Å; A495-T499 HydrophobicContact CB-CG2 3.67Å; A495-L503 HydrophobicContact CB-CD1 3.83Å |
| 496 | D | 78.3 | Confident | 84.1 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 23% | 0.23 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 168.2 | 168.3 | 82.5 | 1.8 | 0 | 0 | 0 | 110 | R498 T499 S500 | D496-R498 PolarHBondContact O-N 3.13Å; D496-R498 WeakPolarHBondContact OD1-CA 3.3Å; D496-R498 WeakPolarHBondContact OD1-CB 3.08Å; D496-R498 PolarHBondContact OD1-N 2.95Å; D496-R498 IonicContact OD2-CZ 2.78Å; D496-R498 IonicContact OD2-NE 2.7Å; D496-R498 IonicContact OD2-NH2 3.89Å; D496-R498 PolarHBondContact OD2-NH2 2.85Å; D496-T499 PolarHBondContact O-N 2.88Å; D496-T499 WeakPolarHBondContact OD1-CB 3.43Å; D496-T499 PolarHBondContact OD1-N 2.75Å; D496-T499 PolarHBondContact OD1-OG1 3.07Å; D496-S500 VanDerWaalsContact O-CB 3.22Å; D496-S500 WeakPolarHBondContact O-CB 3.36Å; D496-S500 PolarHBondContact O-N 3.21Å |
| 497 | T | 78.1 | Confident | 84.8 | Confident | 112 Ų | 112 | 43 Ų | 43 | 69% | 0.687 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -55 | -30.6 | -176.9 | -43.5 | 0 | 0 | 0 | 0 | 113.3 | R501 | T497-R501 PolarHBondContact O-N 3.08Å |
| 498 | R | 82.4 | Confident | 85.3 | Confident | 100 Ų | 100 | 40.7 Ų | 40.7 | 38% | 0.377 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -78.2 | -52.3 | -179.1 | -66.1 | 178.8 | -69.4 | -178.7 | -2.7 | 110.8 | Y384 D496 S500 R501 T502 | Y384-R498 HydrophobicContact CD2-CG 4.49Å; D496-R498 PolarHBondContact O-N 3.13Å; D496-R498 WeakPolarHBondContact OD1-CA 3.3Å; D496-R498 WeakPolarHBondContact OD1-CB 3.08Å; D496-R498 PolarHBondContact OD1-N 2.95Å; D496-R498 IonicContact OD2-CZ 2.78Å; D496-R498 IonicContact OD2-NE 2.7Å; D496-R498 IonicContact OD2-NH2 3.89Å; D496-R498 PolarHBondContact OD2-NH2 2.85Å; R498-S500 VanDerWaalsContact C-N 3.28Å; R498-S500 PolarHBondContact O-N 3.33Å; R498-R501 WeakPolarHBondContact O-CB 3.19Å; R498-R501 PolarHBondContact O-N 2.85Å; R498-R501 VanDerWaalsContact O-N 3.15Å; R498-T502 PolarHBondContact O-N 2.84Å; R498-T502 VanDerWaalsContact O-N 3.12Å; R498-T502 PolarHBondContact O-OG1 2.86Å |
| 499 | T | 88.8 | Confident | 85.7 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -40.9 | 177.5 | -63.8 | 0 | 0 | 0 | 0 | 110.5 | I378 F379 A495 D496 R501 T502 L503 | I378-T499 HydrophobicContact CG2-CG2 4.16Å; F379-T499 HydrophobicContact CD1-CG2 4.26Å; F379-T499 HydrophobicContact CD2-CG2 3.78Å; F379-T499 HydrophobicContact CE1-CG2 4.33Å; F379-T499 HydrophobicContact CE2-CG2 3.85Å; F379-T499 HydrophobicContact CG-CG2 4.01Å; F379-T499 HydrophobicContact CZ-CG2 4.14Å; A495-T499 HydrophobicContact CB-CG2 3.67Å; D496-T499 PolarHBondContact O-N 2.88Å; D496-T499 WeakPolarHBondContact OD1-CB 3.43Å; D496-T499 PolarHBondContact OD1-N 2.75Å; D496-T499 PolarHBondContact OD1-OG1 3.07Å; T499-R501 VanDerWaalsContact C-N 3.31Å; T499-R501 PolarHBondContact O-N 2.68Å; T499-T502 WeakPolarHBondContact O-CB 3.31Å; T499-T502 PolarHBondContact O-N 2.82Å; T499-L503 HydrophobicContact CG2-CD1 3.98Å; T499-L503 HydrophobicContact CG2-CG 4.3Å; T499-L503 VanDerWaalsContact O-CG 3.27Å; T499-L503 WeakPolarHBondContact O-CG 3.11Å; T499-L503 PolarHBondContact O-N 3.32Å |
| 500 | S | 87.9 | Confident | 86.4 | Confident | 56 Ų | 56 | 36.5 Ų | 36.5 | 39% | 0.392 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.5 | -40.8 | 176.7 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | D496 R498 L503 L504 | D496-S500 VanDerWaalsContact O-CB 3.22Å; D496-S500 WeakPolarHBondContact O-CB 3.36Å; D496-S500 PolarHBondContact O-N 3.21Å; R498-S500 VanDerWaalsContact C-N 3.28Å; R498-S500 PolarHBondContact O-N 3.33Å; S500-L503 PolarHBondContact O-N 3.17Å; S500-L504 WeakPolarHBondContact O-CB 3.03Å; S500-L504 PolarHBondContact O-N 3.29Å |
| 501 | R | 88.6 | Confident | 86.7 | Confident | 36 Ų | 36 | 39.6 Ų | 39.6 | 14% | 0.136 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -45.4 | 175.4 | -175.9 | 56.2 | 171.3 | 152.1 | 4.9 | 112 | E386 T497 R498 T499 L503 L504 L505 | E386-R501 IonicContact OE1-CZ 2.72Å; E386-R501 IonicContact OE1-NE 2.62Å; E386-R501 PolarHBondContact OE1-NE 2.87Å; E386-R501 IonicContact OE1-NH2 3.98Å; E386-R501 PolarHBondContact OE1-NH2 3.04Å; E386-R501 IonicContact OE2-CZ 3.2Å; E386-R501 IonicContact OE2-NE 2.8Å; E386-R501 PolarHBondContact OE2-NE 2.76Å; E386-R501 IonicContact OE2-NH2 3.8Å; E386-R501 PolarHBondContact OE2-NH2 2.93Å; T497-R501 PolarHBondContact O-N 3.08Å; R498-R501 WeakPolarHBondContact O-CB 3.19Å; R498-R501 PolarHBondContact O-N 2.85Å; R498-R501 VanDerWaalsContact O-N 3.15Å; T499-R501 VanDerWaalsContact C-N 3.31Å; T499-R501 PolarHBondContact O-N 2.68Å; R501-L503 PolarHBondContact O-N 2.84Å; R501-L504 PolarHBondContact O-N 3.18Å; R501-L505 HydrophobicContact CG-CD1 4.48Å; R501-L505 WeakPolarHBondContact O-CG 3.42Å; R501-L505 PolarHBondContact O-N 2.92Å; R501-L505 VanDerWaalsContact O-N 3.07Å |
| 502 | T | 93.6 | Very high | 87.1 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.8 | -48.9 | 175.4 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | I378 I385 Y422 R498 T499 L504 L505 L506 | I378-T502 HydrophobicContact CG2-CG2 4.01Å; I385-T502 HydrophobicContact CD1-CG2 3.73Å; Y422-T502 HydrophobicContact CD2-CG2 4.12Å; Y422-T502 HydrophobicContact CE2-CG2 4.06Å; R498-T502 PolarHBondContact O-N 2.84Å; R498-T502 VanDerWaalsContact O-N 3.12Å; R498-T502 PolarHBondContact O-OG1 2.86Å; T499-T502 WeakPolarHBondContact O-CB 3.31Å; T499-T502 PolarHBondContact O-N 2.82Å; T502-L504 VanDerWaalsContact C-N 3.33Å; T502-L504 PolarHBondContact O-N 2.97Å; T502-L505 PolarHBondContact O-N 2.8Å; T502-L506 HydrophobicContact CG2-CD1 3.99Å; T502-L506 WeakPolarHBondContact O-CG 3.45Å; T502-L506 PolarHBondContact O-N 2.94Å |
| 503 | L | 95 | Very high | 88 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 179 | -68.6 | 172.7 | 0 | 0 | 0 | 112.2 | I375 I378 F379 I482 P485 A495 T499 S500 R501 L506 A507 | I375-L503 HydrophobicContact CD1-CD2 3.72Å; I378-L503 HydrophobicContact CD1-CD2 4.27Å; I378-L503 HydrophobicContact CG2-CD2 4.19Å; F379-L503 HydrophobicContact CE2-CD1 3.87Å; F379-L503 HydrophobicContact CZ-CD1 4.36Å; I482-L503 HydrophobicContact CG2-CD2 4.1Å; I482-L503 WeakPolarHBondContact O-CB 3.16Å; I482-L503 WeakPolarHBondContact O-CD2 3.21Å; P485-L503 HydrophobicContact CG-CD1 3.73Å; P485-L503 HydrophobicContact CG-CD2 4.35Å; A495-L503 HydrophobicContact CB-CD1 3.83Å; T499-L503 HydrophobicContact CG2-CD1 3.98Å; T499-L503 HydrophobicContact CG2-CG 4.3Å; T499-L503 VanDerWaalsContact O-CG 3.27Å; T499-L503 WeakPolarHBondContact O-CG 3.11Å; T499-L503 PolarHBondContact O-N 3.32Å; S500-L503 PolarHBondContact O-N 3.17Å; R501-L503 PolarHBondContact O-N 2.84Å; L503-L506 PolarHBondContact O-N 2.72Å; L503-A507 VanDerWaalsContact O-CB 3.27Å; L503-A507 WeakPolarHBondContact O-CB 3.38Å; L503-A507 PolarHBondContact O-N 2.62Å |
| 504 | L | 93.1 | Very high | 88.9 | Confident | 55 Ų | 55 | 30.5 Ų | 30.5 | 29% | 0.288 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 175 | 173.6 | 66.6 | 0 | 0 | 0 | 112 | L483 S500 R501 T502 K508 | L483-L504 HydrophobicContact CD1-CB 4Å; L483-L504 HydrophobicContact CD1-CD1 3.55Å; L483-L504 HydrophobicContact CD1-CG 4.39Å; S500-L504 WeakPolarHBondContact O-CB 3.03Å; S500-L504 PolarHBondContact O-N 3.29Å; R501-L504 PolarHBondContact O-N 3.18Å; T502-L504 VanDerWaalsContact C-N 3.33Å; T502-L504 PolarHBondContact O-N 2.97Å; L504-K508 WeakPolarHBondContact O-CG 3.09Å; L504-K508 PolarHBondContact O-N 3.02Å |
| 505 | L | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 178.3 | -67.6 | 177.7 | 0 | 0 | 0 | 111.7 | I385 L387 L419 R501 T502 K508 A509 W527 M528 | I385-L505 HydrophobicContact CG2-CD1 4Å; L387-L505 HydrophobicContact CG-CD1 4.49Å; L419-L505 HydrophobicContact CD1-CB 4.3Å; L419-L505 HydrophobicContact CD1-CD1 4.01Å; L419-L505 HydrophobicContact CD2-CB 3.93Å; R501-L505 HydrophobicContact CG-CD1 4.48Å; R501-L505 WeakPolarHBondContact O-CG 3.42Å; R501-L505 PolarHBondContact O-N 2.92Å; R501-L505 VanDerWaalsContact O-N 3.07Å; T502-L505 PolarHBondContact O-N 2.8Å; L505-K508 PolarHBondContact O-N 3.04Å; L505-A509 PolarHBondContact O-N 3.46Å; L505-W527 HydrophobicContact CD2-CE3 4.5Å; L505-W527 HydrophobicContact CD2-CH2 3.8Å; L505-W527 HydrophobicContact CD2-CZ3 3.38Å; L505-M528 HydrophobicContact CD2-SD 4.24Å |
| 506 | L | 95.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.3 | -44.8 | 176.1 | -70.2 | 171.7 | 0 | 0 | 0 | 112.2 | I378 L419 Y422 L423 I426 I482 T502 L503 K508 A509 L510 | I378-L506 HydrophobicContact CD1-CD1 3.6Å; L419-L506 HydrophobicContact CD2-CD2 3.73Å; L419-L506 HydrophobicContact CD2-CG 3.85Å; Y422-L506 HydrophobicContact CD2-CD1 4.1Å; Y422-L506 HydrophobicContact CG-CD1 4.46Å; L423-L506 HydrophobicContact CB-CD2 4.22Å; I426-L506 HydrophobicContact CD1-CD1 4.25Å; I482-L506 HydrophobicContact CG2-CB 4.05Å; T502-L506 HydrophobicContact CG2-CD1 3.99Å; T502-L506 WeakPolarHBondContact O-CG 3.45Å; T502-L506 PolarHBondContact O-N 2.94Å; L503-L506 PolarHBondContact O-N 2.72Å; L506-K508 VanDerWaalsContact C-N 3.3Å; L506-K508 PolarHBondContact O-N 3.19Å; L506-A509 PolarHBondContact O-N 3.17Å; L506-L510 WeakPolarHBondContact O-CB 3.31Å; L506-L510 PolarHBondContact O-N 2.96Å |
| 507 | A | 95.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 2% | 0.017 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I482 L483 L503 L510 Q511 | I482-A507 HydrophobicContact CB-CB 4.46Å; I482-A507 HydrophobicContact CG2-CB 4.24Å; L483-A507 HydrophobicContact CB-CB 3.83Å; L483-A507 HydrophobicContact CD1-CB 4.36Å; L503-A507 VanDerWaalsContact O-CB 3.27Å; L503-A507 WeakPolarHBondContact O-CB 3.38Å; L503-A507 PolarHBondContact O-N 2.62Å; A507-L510 PolarHBondContact O-N 3.36Å; A507-Q511 WeakPolarHBondContact O-CB 3.46Å; A507-Q511 VanDerWaalsContact O-CG 3.25Å; A507-Q511 WeakPolarHBondContact O-CG 3.29Å; A507-Q511 PolarHBondContact O-N 2.72Å |
| 508 | K | 91.8 | Very high | 89.8 | Confident | 47 Ų | 47 | 27.5 Ų | 27.5 | 20% | 0.204 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.6 | -45.7 | 174.3 | -77.6 | -177.6 | 166.5 | -160.8 | 0 | 112.9 | L504 L505 L506 L510 Q511 S512 E525 M528 | L504-K508 WeakPolarHBondContact O-CG 3.09Å; L504-K508 PolarHBondContact O-N 3.02Å; L505-K508 PolarHBondContact O-N 3.04Å; L506-K508 VanDerWaalsContact C-N 3.3Å; L506-K508 PolarHBondContact O-N 3.19Å; K508-L510 VanDerWaalsContact C-N 3.3Å; K508-L510 PolarHBondContact O-N 3.1Å; K508-Q511 PolarHBondContact O-N 2.96Å; K508-S512 PolarHBondContact O-N 2.94Å; K508-S512 PolarHBondContact O-OG 3.05Å; K508-E525 IonicContact NZ-OE1 3.15Å; K508-E525 PolarHBondContact NZ-OE1 3.28Å; K508-E525 IonicContact NZ-OE2 2.9Å; K508-E525 PolarHBondContact NZ-OE2 3.38Å; K508-M528 HydrophobicContact CB-CE 4.18Å |
| 509 | A | 92.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | L423 L505 L506 S512 V513 M528 L531 | L423-A509 HydrophobicContact CD1-CB 4.23Å; L423-A509 HydrophobicContact CD2-CB 3.92Å; L505-A509 PolarHBondContact O-N 3.46Å; L506-A509 PolarHBondContact O-N 3.17Å; A509-S512 WeakPolarHBondContact O-CB 3.23Å; A509-S512 PolarHBondContact O-N 2.87Å; A509-V513 WeakPolarHBondContact O-CG2 3.48Å; A509-V513 PolarHBondContact O-N 3.44Å; A509-M528 HydrophobicContact CB-CE 4.13Å; A509-L531 HydrophobicContact CB-CD1 4.3Å |
| 510 | L | 93.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.1 | -37.3 | 176.9 | -170.8 | 66.4 | 0 | 0 | 0 | 112.6 | I426 I427 I430 F474 F478 A479 I482 L506 A507 K508 S512 V513 G514 | I426-L510 HydrophobicContact CG2-CD1 4.29Å; I426-L510 HydrophobicContact CG2-CD2 4.28Å; I427-L510 HydrophobicContact CD1-CD1 3.44Å; I427-L510 VanDerWaalsContact CD1-CD1 3.44Å; I430-L510 HydrophobicContact CD1-CD1 4.32Å; I430-L510 HydrophobicContact CD1-CD2 4.41Å; F474-L510 HydrophobicContact CD1-CD1 3.66Å; F474-L510 HydrophobicContact CD1-CD2 4.38Å; F474-L510 HydrophobicContact CD1-CG 3.88Å; F474-L510 HydrophobicContact CE1-CD1 3.76Å; F474-L510 HydrophobicContact CE1-CG 4.45Å; F478-L510 HydrophobicContact CB-CD2 3.89Å; A479-L510 HydrophobicContact CB-CD2 4.36Å; I482-L510 HydrophobicContact CD1-CD2 3.32Å; L506-L510 WeakPolarHBondContact O-CB 3.31Å; L506-L510 PolarHBondContact O-N 2.96Å; A507-L510 PolarHBondContact O-N 3.36Å; K508-L510 VanDerWaalsContact C-N 3.3Å; K508-L510 PolarHBondContact O-N 3.1Å; L510-S512 VanDerWaalsContact C-N 3.32Å; L510-S512 PolarHBondContact O-N 3.03Å; L510-V513 WeakPolarHBondContact O-CB 3.44Å; L510-V513 PolarHBondContact O-N 2.94Å; L510-G514 PolarHBondContact O-N 3.43Å |
| 511 | Q | 91.9 | Very high | 87.3 | Confident | 66 Ų | 66 | 30 Ų | 30 | 31% | 0.308 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 172.1 | -76 | 171.1 | -11.3 | 0 | 0 | 111.6 | L475 A479 A507 K508 V513 G514 N515 | L475-Q511 HydrophobicContact CD2-CB 3.82Å; L475-Q511 HydrophobicContact CD2-CG 3.82Å; A479-Q511 HydrophobicContact CB-CG 3.59Å; A507-Q511 WeakPolarHBondContact O-CB 3.46Å; A507-Q511 VanDerWaalsContact O-CG 3.25Å; A507-Q511 WeakPolarHBondContact O-CG 3.29Å; A507-Q511 PolarHBondContact O-N 2.72Å; K508-Q511 PolarHBondContact O-N 2.96Å; Q511-V513 VanDerWaalsContact C-N 3.33Å; Q511-V513 PolarHBondContact O-N 3.12Å; Q511-G514 PolarHBondContact O-N 3.29Å; Q511-N515 PolarHBondContact O-N 3.07Å; Q511-N515 PolarHBondContact O-ND2 3.19Å |
| 512 | S | 90.7 | Very high | 86 | Confident | 37 Ų | 37 | 36.8 Ų | 36.8 | 26% | 0.259 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.1 | -36.8 | 175.5 | -63.2 | 0 | 0 | 0 | 0 | 112.7 | K508 A509 L510 N515 G517 | K508-S512 PolarHBondContact O-N 2.94Å; K508-S512 PolarHBondContact O-OG 3.05Å; A509-S512 WeakPolarHBondContact O-CB 3.23Å; A509-S512 PolarHBondContact O-N 2.87Å; L510-S512 VanDerWaalsContact C-N 3.32Å; L510-S512 PolarHBondContact O-N 3.03Å; S512-N515 PolarHBondContact O-N 3.23Å; S512-G517 PolarHBondContact O-N 2.76Å |
| 513 | V | 91.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 171.3 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | I427 A509 L510 Q511 N515 L516 I535 V542 | I427-V513 HydrophobicContact CD1-CB 4.46Å; I427-V513 HydrophobicContact CD1-CG1 3.92Å; I427-V513 HydrophobicContact CD1-CG2 4.38Å; A509-V513 WeakPolarHBondContact O-CG2 3.48Å; A509-V513 PolarHBondContact O-N 3.44Å; L510-V513 WeakPolarHBondContact O-CB 3.44Å; L510-V513 PolarHBondContact O-N 2.94Å; Q511-V513 VanDerWaalsContact C-N 3.33Å; Q511-V513 PolarHBondContact O-N 3.12Å; V513-N515 VanDerWaalsContact C-N 3.27Å; V513-N515 PolarHBondContact O-N 3.05Å; V513-L516 WeakPolarHBondContact O-CA 3.36Å; V513-L516 PolarHBondContact O-N 3.43Å; V513-I535 HydrophobicContact CG2-CB 4.19Å; V513-I535 HydrophobicContact CG2-CG1 4.11Å; V513-I535 HydrophobicContact CG2-CG2 3.8Å; V513-V542 HydrophobicContact CG1-CG2 3.7Å |
| 514 | G | 89.8 | Confident | 82.9 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.5 | -31.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S470 L510 Q511 L516 | S470-G514 WeakPolarHBondContact CB-O 3.29Å; S470-G514 VanDerWaalsContact OG-C 3.28Å; S470-G514 WeakPolarHBondContact OG-CA 3.43Å; S470-G514 PolarHBondContact OG-O 3.32Å; L510-G514 PolarHBondContact O-N 3.43Å; Q511-G514 PolarHBondContact O-N 3.29Å; G514-L516 PolarHBondContact O-N 3.39Å |
| 515 | N | 90.2 | Very high | 81.9 | Confident | 33 Ų | 33 | 50.6 Ų | 50.6 | 18% | 0.176 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 12.8 | 171.8 | -70.4 | -33.4 | 0 | 0 | 0 | 113.5 | L475 Q511 S512 V513 G517 L518 | L475-N515 WeakPolarHBondContact CD1-OD1 3.24Å; Q511-N515 PolarHBondContact O-N 3.07Å; Q511-N515 PolarHBondContact O-ND2 3.19Å; S512-N515 PolarHBondContact O-N 3.23Å; V513-N515 VanDerWaalsContact C-N 3.27Å; V513-N515 PolarHBondContact O-N 3.05Å; N515-G517 PolarHBondContact O-N 3Å; N515-G517 VanDerWaalsContact O-N 3.07Å; N515-L518 WeakPolarHBondContact O-CG 3.34Å; N515-L518 PolarHBondContact O-N 3.47Å |
| 516 | L | 86.6 | Confident | 81.2 | Confident | 14 Ų | 14 | 58.4 Ų | 58.4 | 7% | 0.073 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 28 | 179.4 | -50.8 | 177.9 | 0 | 0 | 0 | 113.6 | D463 L467 V513 G514 L518 V539 K543 | D463-L516 HydrophobicContact CB-CD1 4.25Å; L467-L516 HydrophobicContact CD2-CB 4.32Å; L467-L516 HydrophobicContact CD2-CD1 3.74Å; L467-L516 HydrophobicContact CD2-CG 3.79Å; L467-L516 HydrophobicContact CG-CD1 3.83Å; L467-L516 HydrophobicContact CG-CG 4.44Å; V513-L516 WeakPolarHBondContact O-CA 3.36Å; V513-L516 PolarHBondContact O-N 3.43Å; G514-L516 PolarHBondContact O-N 3.39Å; L516-L518 VanDerWaalsContact C-N 3.27Å; L516-L518 PolarHBondContact O-N 2.99Å; L516-V539 HydrophobicContact CB-CG1 4.1Å; L516-V539 HydrophobicContact CD2-CG1 4.12Å; L516-K543 HydrophobicContact CD2-CG 4.42Å |
| 517 | G | 78.2 | Confident | 80.5 | Confident | 12 Ų | 12 | 60.6 Ų | 60.6 | 12% | 0.124 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 4.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | S512 N515 Q519 L520 | S512-G517 PolarHBondContact O-N 2.76Å; N515-G517 PolarHBondContact O-N 3Å; N515-G517 VanDerWaalsContact O-N 3.07Å; G517-Q519 PolarHBondContact O-N 2.84Å; G517-L520 WeakPolarHBondContact O-CG 3.19Å; G517-L520 PolarHBondContact O-N 3.26Å |
| 518 | L | 75.1 | Confident | 80 | Confident | 111 Ų | 111 | 61.1 Ų | 61.1 | 58% | 0.581 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.5 | -173.2 | -71.4 | 168.3 | 0 | 0 | 0 | 115.2 | L467 N515 L516 | L467-L518 HydrophobicContact CD1-CD1 3.72Å; L467-L518 HydrophobicContact CD2-CD1 4.07Å; L467-L518 HydrophobicContact CG-CD1 4.47Å; N515-L518 WeakPolarHBondContact O-CG 3.34Å; N515-L518 PolarHBondContact O-N 3.47Å; L516-L518 VanDerWaalsContact C-N 3.27Å; L516-L518 PolarHBondContact O-N 2.99Å |
| 519 | Q | 69.3 | Low | 79.8 | Confident | 122 Ų | 122 | 61.9 Ų | 61.9 | 57% | 0.57 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | 7.9 | -177.6 | -64.9 | -176.3 | -8 | 0 | 0 | 114.1 | G517 G521 H522 | G517-Q519 PolarHBondContact O-N 2.84Å; Q519-G521 PolarHBondContact O-N 3.42Å; Q519-H522 PolarHBondContact O-N 3.47Å |
| 520 | L | 73.6 | Confident | 79.6 | Confident | 31 Ų | 31 | 64.1 Ų | 64.1 | 16% | 0.162 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 128.4 | -177.3 | -67.5 | 169.9 | 0 | 0 | 0 | 111 | G517 H522 H532 I535 L536 | G517-L520 WeakPolarHBondContact O-CG 3.19Å; G517-L520 PolarHBondContact O-N 3.26Å; L520-H522 VanDerWaalsContact C-N 3.31Å; L520-H522 PolarHBondContact O-CD2 2.91Å; L520-H522 PolarHBondContact O-N 3.26Å; L520-H532 VanDerWaalsContact CD2-CD2 3.49Å; L520-H532 WeakPolarHBondContact CD2-CD2 3.42Å; L520-I535 HydrophobicContact CD1-CB 4.36Å; L520-I535 HydrophobicContact CD1-CG2 3.85Å; L520-I535 HydrophobicContact CD2-CD1 3.92Å; L520-I535 HydrophobicContact CD2-CG2 4.13Å; L520-I535 HydrophobicContact CG-CG2 4.48Å; L520-L536 HydrophobicContact CD1-CD1 4.47Å; L520-L536 HydrophobicContact CD1-CD2 3.6Å; L520-L536 HydrophobicContact CD1-CG 3.73Å |
| 521 | G | 63.7 | Low | 79.4 | Confident | 58 Ų | 58 | 64.1 Ų | 64.1 | 60% | 0.598 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q519 H532 | Q519-G521 PolarHBondContact O-N 3.42Å; G521-H532 PolarHBondContact N-CE1 2.89Å |
| 522 | H | 62.6 | Low | 79.3 | Confident | 177 Ų | 177 | 62.8 Ų | 62.8 | 82% | 0.819 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -101.1 | 23.4 | -177.4 | -71.3 | -76.7 | 0 | 0 | 0 | 114.4 | Q519 L520 | Q519-H522 PolarHBondContact O-N 3.47Å; L520-H522 VanDerWaalsContact C-N 3.31Å; L520-H522 PolarHBondContact O-CD2 2.91Å; L520-H522 PolarHBondContact O-N 3.26Å |
| 523 | G | 61.7 | Low | 79.3 | Confident | 49 Ų | 49 | 65 Ų | 65 | 51% | 0.505 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -126 | 171.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | E525 | G523-E525 PolarHBondContact O-N 3.46Š|
| 524 | K | 60.5 | Low | 79.2 | Confident | 217 Ų | 217 | 65.9 Ų | 65.9 | 94% | 0.943 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -68.8 | -5.3 | 175.7 | -65.8 | -176.9 | 179.4 | 178.8 | 0 | 113.9 | ||
| 525 | E | 72.9 | Confident | 79.1 | Confident | 83 Ų | 83 | 65.9 Ų | 65.9 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | trans | -110.6 | 53.9 | -168.9 | -56.3 | -166.4 | 160.1 | 0 | 0 | 112.6 | K508 G523 W527 M528 | K508-E525 IonicContact NZ-OE1 3.15Å; K508-E525 PolarHBondContact NZ-OE1 3.28Å; K508-E525 IonicContact NZ-OE2 2.9Å; K508-E525 PolarHBondContact NZ-OE2 3.38Å; G523-E525 PolarHBondContact O-N 3.46Å; E525-W527 HydrophobicContact CB-CZ2 3.88Å; E525-W527 HydrophobicContact CG-CZ2 3.9Å; E525-W527 PolarHBondContact O-N 3.02Å; E525-M528 HydrophobicContact CB-CG 4.48Å; E525-M528 PolarHBondContact O-N 3.33Å | ||
| 526 | Q | 78.8 | Confident | 79 | Confident | 164 Ų | 164 | 69.1 Ų | 69.1 | 77% | 0.766 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -56.9 | -23.1 | -178.9 | -66.8 | -175.1 | -1.5 | 0 | 0 | 113.9 | M528 S529 | Q526-M528 PolarHBondContact O-N 2.9Å; Q526-S529 WeakPolarHBondContact O-CB 3.35Å; Q526-S529 PolarHBondContact O-N 2.99Å |
| 527 | W | 81.1 | Confident | 79.2 | Confident | 46 Ų | 46 | 72.2 Ų | 72.2 | 17% | 0.174 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -65.3 | -12.8 | 176.1 | 51.6 | -98.2 | 0 | 0 | 0 | 113.8 | L387 D388 L505 E525 S529 P530 | L387-W527 HydrophobicContact CB-CE3 3.87Å; L387-W527 HydrophobicContact CB-CZ3 4.45Å; D388-W527 HydrophobicContact CB-CD2 4.33Å; D388-W527 HydrophobicContact CB-CG 4.37Å; L505-W527 HydrophobicContact CD2-CE3 4.5Å; L505-W527 HydrophobicContact CD2-CH2 3.8Å; L505-W527 HydrophobicContact CD2-CZ3 3.38Å; E525-W527 HydrophobicContact CB-CZ2 3.88Å; E525-W527 HydrophobicContact CG-CZ2 3.9Å; E525-W527 PolarHBondContact O-N 3.02Å; W527-S529 VanDerWaalsContact C-N 3.34Å; W527-P530 WeakPolarHBondContact O-CD 3.49Å |
| 528 | M | 84.9 | Confident | 79.8 | Confident | 13 Ų | 13 | 72.1 Ų | 72.1 | 6% | 0.064 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -82.4 | -7.9 | 171.2 | -71.6 | -68.3 | -79.4 | 0 | 0 | 113.8 | L387 L505 K508 A509 E525 Q526 P530 L531 H532 | L387-M528 HydrophobicContact CD1-SD 4.05Å; L505-M528 HydrophobicContact CD2-SD 4.24Å; K508-M528 HydrophobicContact CB-CE 4.18Å; A509-M528 HydrophobicContact CB-CE 4.13Å; E525-M528 HydrophobicContact CB-CG 4.48Å; E525-M528 PolarHBondContact O-N 3.33Å; Q526-M528 PolarHBondContact O-N 2.9Å; M528-P530 VanDerWaalsContact C-N 3.29Å; M528-P530 VanDerWaalsContact O-N 3.12Å; M528-L531 HydrophobicContact CE-CD1 3.79Å; M528-L531 PolarHBondContact O-N 2.92Å; M528-L531 HydrophobicContact SD-CD1 4.09Å; M528-H532 PolarHBondContact O-CD2 2.81Å |
| 529 | S | 86.5 | Confident | 80.5 | Confident | 63 Ų | 63 | 67.7 Ų | 67.7 | 44% | 0.441 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -50.3 | -37 | -177.4 | -172.5 | 0 | 0 | 0 | 0 | 115.3 | Q526 W527 L531 H532 | Q526-S529 WeakPolarHBondContact O-CB 3.35Å; Q526-S529 PolarHBondContact O-N 2.99Å; W527-S529 VanDerWaalsContact C-N 3.34Å; S529-L531 PolarHBondContact O-N 3.01Å; S529-L531 VanDerWaalsContact O-N 3.16Å; S529-H532 WeakPolarHBondContact O-CB 3.43Å; S529-H532 PolarHBondContact O-N 3.42Å; S529-H532 VanDerWaalsContact O-N 3.1Å |
| 530 | P | 88.6 | Confident | 81.5 | Confident | 48 Ų | 48 | 65.3 Ų | 65.3 | 31% | 0.312 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -61.4 | -20.7 | 177.7 | -26 | 36.8 | 0 | 0 | 0 | 114.7 | V416 W527 M528 | V416-P530 HydrophobicContact CG1-CB 4.1Å; V416-P530 HydrophobicContact CG2-CB 3.57Å; V416-P530 HydrophobicContact CG2-CG 4.19Å; W527-P530 WeakPolarHBondContact O-CD 3.49Å; M528-P530 VanDerWaalsContact C-N 3.29Å; M528-P530 VanDerWaalsContact O-N 3.12Å |
| 531 | L | 88.7 | Confident | 82.5 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -91.4 | -8.5 | 178.1 | -60.6 | 178.4 | 0 | 0 | 0 | 113.1 | L387 V416 L419 Q420 A509 M528 S529 P533 I534 I535 | L387-L531 HydrophobicContact CD1-CD1 3.95Å; L387-L531 HydrophobicContact CD1-CG 4.33Å; V416-L531 HydrophobicContact CG1-CD2 4.5Å; L419-L531 HydrophobicContact CB-CD1 4.45Å; L419-L531 HydrophobicContact CB-CD2 4.01Å; L419-L531 HydrophobicContact CD1-CD1 4.2Å; Q420-L531 HydrophobicContact CG-CD2 4.02Å; A509-L531 HydrophobicContact CB-CD1 4.3Å; M528-L531 HydrophobicContact CE-CD1 3.79Å; M528-L531 PolarHBondContact O-N 2.92Å; M528-L531 HydrophobicContact SD-CD1 4.09Å; S529-L531 PolarHBondContact O-N 3.01Å; S529-L531 VanDerWaalsContact O-N 3.16Å; L531-P533 VanDerWaalsContact C-CD 3.45Å; L531-I534 HydrophobicContact CB-CG2 4.36Å; L531-I534 HydrophobicContact CD2-CG2 4.48Å; L531-I534 WeakPolarHBondContact O-CG2 3.27Å; L531-I534 PolarHBondContact O-N 2.85Å; L531-I535 HydrophobicContact CB-CD1 4.22Å; L531-I535 WeakPolarHBondContact O-CD1 3.48Å; L531-I535 VanDerWaalsContact O-CG1 3.29Å; L531-I535 WeakPolarHBondContact O-CG1 3.22Å; L531-I535 PolarHBondContact O-N 3.08Å; L531-I535 VanDerWaalsContact O-N 3.15Å |
| 532 | H | 89.7 | Confident | 83.9 | Confident | 38 Ų | 38 | 63.8 Ų | 63.8 | 18% | 0.176 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.4 | -40.8 | -179.2 | -64.5 | 179.7 | 0 | 0 | 0 | 113.9 | L520 G521 M528 S529 I534 I535 L536 | L520-H532 VanDerWaalsContact CD2-CD2 3.49Å; L520-H532 WeakPolarHBondContact CD2-CD2 3.42Å; G521-H532 PolarHBondContact N-CE1 2.89Å; M528-H532 PolarHBondContact O-CD2 2.81Å; S529-H532 WeakPolarHBondContact O-CB 3.43Å; S529-H532 PolarHBondContact O-N 3.42Å; S529-H532 VanDerWaalsContact O-N 3.1Å; H532-I534 PolarHBondContact O-N 2.75Å; H532-I535 PolarHBondContact O-N 3.43Å; H532-L536 WeakPolarHBondContact O-CG 3.35Å; H532-L536 PolarHBondContact O-N 3.24Å |
| 533 | P | 90.7 | Very high | 85.3 | Confident | 84 Ų | 84 | 57.8 Ų | 57.8 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60 | -44.7 | -179.5 | -25.5 | 35.9 | 0 | 0 | 0 | 113.5 | L531 L536 S537 | L531-P533 VanDerWaalsContact C-CD 3.45Å; P533-L536 PolarHBondContact O-N 3.33Å; P533-S537 PolarHBondContact O-N 3.43Å; P533-S537 PolarHBondContact O-OG 2.81Å |
| 534 | I | 89.1 | Confident | 86.9 | Confident | 18 Ų | 18 | 59.1 Ų | 59.1 | 9% | 0.092 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70 | -34.5 | 178.7 | -178 | 169.6 | 0 | 0 | 0 | 111.9 | Q420 L423 T424 L531 H532 S537 S538 | Q420-I534 HydrophobicContact CB-CD1 4.15Å; Q420-I534 HydrophobicContact CG-CD1 4.25Å; Q420-I534 HydrophobicContact CG-CG2 4.17Å; L423-I534 HydrophobicContact CB-CD1 4.36Å; L423-I534 HydrophobicContact CD2-CD1 4.21Å; L423-I534 HydrophobicContact CD2-CG1 4.29Å; L423-I534 HydrophobicContact CD2-CG2 4Å; L423-I534 HydrophobicContact CG-CD1 4.41Å; T424-I534 WeakPolarHBondContact OG1-CD1 3.5Å; L531-I534 HydrophobicContact CB-CG2 4.36Å; L531-I534 HydrophobicContact CD2-CG2 4.48Å; L531-I534 WeakPolarHBondContact O-CG2 3.27Å; L531-I534 PolarHBondContact O-N 2.85Å; H532-I534 PolarHBondContact O-N 2.75Å; I534-S537 WeakPolarHBondContact CA-OG 3.49Å; I534-S537 PolarHBondContact O-OG 2.82Å; I534-S538 WeakPolarHBondContact O-CB 3.26Å; I534-S538 PolarHBondContact O-N 3.47Å; I534-S538 VanDerWaalsContact O-N 3.1Å; I534-S538 PolarHBondContact O-OG 3.43Å |
| 535 | I | 88.8 | Confident | 88.6 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.8 | -49.9 | 175.9 | -67.1 | 164.7 | 0 | 0 | 0 | 109.2 | L423 V513 L520 L531 H532 S537 S538 V539 | L423-I535 HydrophobicContact CD2-CG1 4.47Å; V513-I535 HydrophobicContact CG2-CB 4.19Å; V513-I535 HydrophobicContact CG2-CG1 4.11Å; V513-I535 HydrophobicContact CG2-CG2 3.8Å; L520-I535 HydrophobicContact CD1-CB 4.36Å; L520-I535 HydrophobicContact CD1-CG2 3.85Å; L520-I535 HydrophobicContact CD2-CD1 3.92Å; L520-I535 HydrophobicContact CD2-CG2 4.13Å; L520-I535 HydrophobicContact CG-CG2 4.48Å; L531-I535 HydrophobicContact CB-CD1 4.22Å; L531-I535 WeakPolarHBondContact O-CD1 3.48Å; L531-I535 VanDerWaalsContact O-CG1 3.29Å; L531-I535 WeakPolarHBondContact O-CG1 3.22Å; L531-I535 PolarHBondContact O-N 3.08Å; L531-I535 VanDerWaalsContact O-N 3.15Å; H532-I535 PolarHBondContact O-N 3.43Å; I535-S537 PolarHBondContact O-N 3.19Å; I535-S538 WeakPolarHBondContact O-CB 3.24Å; I535-S538 PolarHBondContact O-N 3.32Å; I535-S538 VanDerWaalsContact O-N 3.14Å; I535-V539 WeakPolarHBondContact O-CG2 3.49Å; I535-V539 PolarHBondContact O-N 3.01Å |
| 536 | L | 88.9 | Confident | 89.6 | Confident | 102 Ų | 102 | 45 Ų | 45 | 53% | 0.534 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 179.5 | -71.5 | 171.6 | 0 | 0 | 0 | 112.3 | L520 H532 P533 S538 V539 | L520-L536 HydrophobicContact CD1-CD1 4.47Å; L520-L536 HydrophobicContact CD1-CD2 3.6Å; L520-L536 HydrophobicContact CD1-CG 3.73Å; H532-L536 WeakPolarHBondContact O-CG 3.35Å; H532-L536 PolarHBondContact O-N 3.24Å; P533-L536 PolarHBondContact O-N 3.33Å; L536-S538 PolarHBondContact O-N 2.97Å; L536-V539 PolarHBondContact O-N 3.37Å |
| 537 | S | 90.3 | Very high | 90.4 | Very high | 78 Ų | 78 | 40.2 Ų | 40.2 | 55% | 0.545 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65 | -26.7 | 177.1 | 66 | 0 | 0 | 0 | 0 | 113 | P533 I534 I535 | P533-S537 PolarHBondContact O-N 3.43Å; P533-S537 PolarHBondContact O-OG 2.81Å; I534-S537 WeakPolarHBondContact CA-OG 3.49Å; I534-S537 PolarHBondContact O-OG 2.82Å; I535-S537 PolarHBondContact O-N 3.19Å |
| 538 | S | 91.4 | Very high | 91 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -79.8 | -22.5 | -179.7 | -57.5 | 0 | 0 | 0 | 0 | 113.3 | I534 I535 L536 A540 S541 V542 | I534-S538 WeakPolarHBondContact O-CB 3.26Å; I534-S538 PolarHBondContact O-N 3.47Å; I534-S538 VanDerWaalsContact O-N 3.1Å; I534-S538 PolarHBondContact O-OG 3.43Å; I535-S538 WeakPolarHBondContact O-CB 3.24Å; I535-S538 PolarHBondContact O-N 3.32Å; I535-S538 VanDerWaalsContact O-N 3.14Å; L536-S538 PolarHBondContact O-N 2.97Å; S538-A540 VanDerWaalsContact C-N 3.33Å; S538-A540 PolarHBondContact O-N 3.05Å; S538-S541 PolarHBondContact O-N 3.46Å; S538-V542 WeakPolarHBondContact O-CG2 3.46Å; S538-V542 PolarHBondContact O-N 2.84Å |
| 539 | V | 89.8 | Confident | 91.4 | Very high | 19 Ų | 19 | 42.2 Ų | 42.2 | 12% | 0.115 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.8 | -43.3 | -176.5 | 175.9 | 0 | 0 | 0 | 0 | 111.8 | L516 I535 L536 V542 K543 | L516-V539 HydrophobicContact CB-CG1 4.1Å; L516-V539 HydrophobicContact CD2-CG1 4.12Å; I535-V539 WeakPolarHBondContact O-CG2 3.49Å; I535-V539 PolarHBondContact O-N 3.01Å; L536-V539 PolarHBondContact O-N 3.37Å; V539-V542 PolarHBondContact O-N 3.31Å; V539-K543 PolarHBondContact O-N 2.88Å |
| 540 | A | 89.8 | Confident | 91.7 | Very high | 72 Ų | 72 | 40.3 Ų | 40.3 | 60% | 0.595 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.5 | -45.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S538 V542 K543 D544 | S538-A540 VanDerWaalsContact C-N 3.33Å; S538-A540 PolarHBondContact O-N 3.05Å; A540-V542 VanDerWaalsContact C-N 3.29Å; A540-V542 PolarHBondContact O-N 3.45Å; A540-K543 PolarHBondContact O-N 3.42Å; A540-D544 PolarHBondContact O-N 2.79Å; A540-D544 VanDerWaalsContact O-N 3.11Å |
| 541 | S | 93.5 | Very high | 91.8 | Very high | 56 Ų | 56 | 43.9 Ų | 43.9 | 39% | 0.392 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64 | -34.3 | 176.8 | -51.7 | 0 | 0 | 0 | 0 | 112.4 | S538 F545 | S538-S541 PolarHBondContact O-N 3.46Å; S541-F545 WeakPolarHBondContact O-CB 3.44Å; S541-F545 PolarHBondContact O-N 2.85Å |
| 542 | V | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.4 | -40.5 | 176.3 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | V431 F474 V513 S538 V539 A540 F545 L546 | V431-V542 HydrophobicContact CG1-CG2 4.48Å; F474-V542 HydrophobicContact CE1-CG2 4.43Å; F474-V542 HydrophobicContact CE2-CG1 3.81Å; F474-V542 HydrophobicContact CZ-CG1 3.9Å; F474-V542 HydrophobicContact CZ-CG2 3.94Å; V513-V542 HydrophobicContact CG1-CG2 3.7Å; S538-V542 WeakPolarHBondContact O-CG2 3.46Å; S538-V542 PolarHBondContact O-N 2.84Å; V539-V542 PolarHBondContact O-N 3.31Å; A540-V542 VanDerWaalsContact C-N 3.29Å; A540-V542 PolarHBondContact O-N 3.45Å; V542-F545 WeakPolarHBondContact O-CB 3.46Å; V542-F545 PolarHBondContact O-N 3.1Å; V542-L546 HydrophobicContact CG1-CD1 4.16Å; V542-L546 HydrophobicContact CG1-CG 4.35Å; V542-L546 VanDerWaalsContact O-CG 3.27Å; V542-L546 WeakPolarHBondContact O-CG 3.32Å; V542-L546 PolarHBondContact O-N 2.86Å |
| 543 | K | 92.9 | Very high | 91 | Very high | 52 Ų | 52 | 47.9 Ų | 47.9 | 23% | 0.226 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 174.7 | -71.1 | -172.6 | -179.4 | -170.7 | 0 | 111.3 | D463 Y466 L516 V539 A540 F545 L546 D547 | D463-K543 IonicContact OD1-NZ 2.89Å; D463-K543 PolarHBondContact OD1-NZ 2.87Å; D463-K543 IonicContact OD2-NZ 3.58Å; D463-K543 PolarHBondContact OD2-NZ 2.95Å; Y466-K543 HydrophobicContact CD1-CG 4.46Å; L516-K543 HydrophobicContact CD2-CG 4.42Å; V539-K543 PolarHBondContact O-N 2.88Å; A540-K543 PolarHBondContact O-N 3.42Å; K543-F545 VanDerWaalsContact C-N 3.3Å; K543-F545 PolarHBondContact O-N 2.8Å; K543-L546 PolarHBondContact O-N 2.95Å; K543-D547 PolarHBondContact O-N 2.98Å |
| 544 | D | 94.6 | Very high | 89.7 | Confident | 77 Ų | 77 | 48.2 Ų | 48.2 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.2 | -39.6 | 175.2 | 172.4 | 72.7 | 0 | 0 | 0 | 112.6 | A540 D547 K548 | A540-D544 PolarHBondContact O-N 2.79Å; A540-D544 VanDerWaalsContact O-N 3.11Å; D544-D547 PolarHBondContact O-N 2.51Å; D544-K548 VanDerWaalsContact CG-NZ 3.34Å; D544-K548 WeakPolarHBondContact O-CG 3.27Å; D544-K548 PolarHBondContact O-N 2.86Å; D544-K548 VanDerWaalsContact O-N 3.09Å; D544-K548 VanDerWaalsContact OD1-CE 3.28Å; D544-K548 WeakPolarHBondContact OD1-CE 3.4Å; D544-K548 IonicContact OD1-NZ 2.99Å; D544-K548 PolarHBondContact OD1-NZ 3.45Å; D544-K548 WeakPolarHBondContact OD2-CE 3.44Å; D544-K548 IonicContact OD2-NZ 3.07Å; D544-K548 PolarHBondContact OD2-NZ 2.8Å |
| 545 | F | 95.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 172.2 | 164.1 | -101.7 | 0 | 0 | 0 | 112.3 | I430 V431 V434 F473 S541 V542 K543 K548 L549 | I430-F545 HydrophobicContact CG2-CE1 4.19Å; I430-F545 HydrophobicContact CG2-CZ 4.2Å; I430-F545 VanDerWaalsContact O-CE2 3.3Å; I430-F545 WeakPolarHBondContact O-CE2 3.48Å; V431-F545 HydrophobicContact CB-CB 4.07Å; V431-F545 HydrophobicContact CB-CD2 4.43Å; V431-F545 HydrophobicContact CB-CG 4.42Å; V431-F545 HydrophobicContact CG1-CB 3.93Å; V431-F545 HydrophobicContact CG1-CG 4.33Å; V434-F545 HydrophobicContact CG2-CD2 3.46Å; V434-F545 VanDerWaalsContact CG2-CD2 3.46Å; V434-F545 HydrophobicContact CG2-CE2 3.58Å; F473-F545 AromaticContact CD1-CE1 4Å; F473-F545 HydrophobicContact CD1-CE1 4Å; F473-F545 HydrophobicContact CD1-CZ 4.25Å; F473-F545 AromaticContact CE1-CE1 3.97Å; F473-F545 HydrophobicContact CE1-CE1 3.97Å; F473-F545 AromaticContact CE1-CZ 3.74Å; F473-F545 HydrophobicContact CE1-CZ 3.74Å; S541-F545 WeakPolarHBondContact O-CB 3.44Å; S541-F545 PolarHBondContact O-N 2.85Å; V542-F545 WeakPolarHBondContact O-CB 3.46Å; V542-F545 PolarHBondContact O-N 3.1Å; K543-F545 VanDerWaalsContact C-N 3.3Å; K543-F545 PolarHBondContact O-N 2.8Å; F545-K548 PolarHBondContact O-N 3.39Å; F545-L549 HydrophobicContact CE1-CD2 4.32Å; F545-L549 HydrophobicContact CE2-CD1 4.26Å; F545-L549 HydrophobicContact CZ-CD1 3.92Å; F545-L549 HydrophobicContact CZ-CD2 4.35Å; F545-L549 WeakPolarHBondContact O-CB 3.48Å; F545-L549 PolarHBondContact O-N 2.88Å |
| 546 | L | 95.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.1 | -38.8 | -179.8 | -68.2 | 174.4 | 0 | 0 | 0 | 111.8 | Y466 I469 V542 K543 L549 I550 | Y466-L546 HydrophobicContact CD1-CB 4.07Å; Y466-L546 HydrophobicContact CD1-CD1 3.97Å; Y466-L546 HydrophobicContact CE1-CB 4.43Å; I469-L546 HydrophobicContact CB-CD2 4.32Å; I469-L546 HydrophobicContact CG2-CD2 3.69Å; V542-L546 HydrophobicContact CG1-CD1 4.16Å; V542-L546 HydrophobicContact CG1-CG 4.35Å; V542-L546 VanDerWaalsContact O-CG 3.27Å; V542-L546 WeakPolarHBondContact O-CG 3.32Å; V542-L546 PolarHBondContact O-N 2.86Å; K543-L546 PolarHBondContact O-N 2.95Å; L546-L549 HydrophobicContact CD2-CD2 4.36Å; L546-L549 WeakPolarHBondContact O-CB 3.47Å; L546-L549 PolarHBondContact O-N 3.25Å; L546-I550 PolarHBondContact O-N 3.34Å |
| 547 | D | 94.7 | Very high | 85.1 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 35% | 0.348 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 174.6 | -69.3 | -37.3 | 0 | 0 | 0 | 111.1 | Y466 K543 D544 L549 I550 D551 | Y466-D547 WeakPolarHBondContact CE1-OD1 3.44Å; Y466-D547 PolarHBondContact OH-OD1 2.83Å; Y466-D547 PolarHBondContact OH-OD2 3.41Å; K543-D547 PolarHBondContact O-N 2.98Å; D544-D547 PolarHBondContact O-N 2.51Å; D547-L549 VanDerWaalsContact C-N 3.29Å; D547-L549 PolarHBondContact O-N 2.86Å; D547-I550 VanDerWaalsContact O-CG1 3.23Å; D547-I550 WeakPolarHBondContact O-CG1 3.25Å; D547-I550 PolarHBondContact O-N 3.44Å; D547-D551 PolarHBondContact O-N 3.4Å |
| 548 | K | 94.8 | Very high | 82.9 | Confident | 101 Ų | 101 | 56.3 Ų | 56.3 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.4 | -33.9 | 175.3 | -70.9 | 167.6 | 179.9 | 166 | 0 | 112.6 | V434 R442 D544 F545 I550 D551 | V434-K548 HydrophobicContact CG1-CB 4.25Å; V434-K548 HydrophobicContact CG2-CB 4.05Å; R442-K548 PolarHBondContact NH2-O 2.81Å; D544-K548 VanDerWaalsContact CG-NZ 3.34Å; D544-K548 WeakPolarHBondContact O-CG 3.27Å; D544-K548 PolarHBondContact O-N 2.86Å; D544-K548 VanDerWaalsContact O-N 3.09Å; D544-K548 VanDerWaalsContact OD1-CE 3.28Å; D544-K548 WeakPolarHBondContact OD1-CE 3.4Å; D544-K548 IonicContact OD1-NZ 2.99Å; D544-K548 PolarHBondContact OD1-NZ 3.45Å; D544-K548 WeakPolarHBondContact OD2-CE 3.44Å; D544-K548 IonicContact OD2-NZ 3.07Å; D544-K548 PolarHBondContact OD2-NZ 2.8Å; F545-K548 PolarHBondContact O-N 3.39Å; K548-I550 VanDerWaalsContact C-N 3.32Å; K548-I550 PolarHBondContact O-N 3.24Å; K548-D551 PolarHBondContact O-N 3.32Å |
| 549 | L | 92.6 | Very high | 80.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 179.1 | -167.4 | 72.2 | 0 | 0 | 0 | 111.2 | C437 R442 F445 I469 F473 F545 L546 D547 | C437-L549 HydrophobicContact CB-CD1 3.92Å; R442-L549 WeakPolarHBondContact CB-O 3.48Å; R442-L549 HydrophobicContact CG-CD1 4.13Å; R442-L549 HydrophobicContact CG-CG 4.42Å; R442-L549 WeakPolarHBondContact CG-O 3.34Å; R442-L549 PolarHBondContact NE-O 3.35Å; F445-L549 HydrophobicContact CD2-CD2 4.18Å; I469-L549 HydrophobicContact CG2-CD2 4.43Å; F473-L549 HydrophobicContact CE1-CD2 4.45Å; F473-L549 HydrophobicContact CZ-CD2 4.34Å; F545-L549 HydrophobicContact CE1-CD2 4.32Å; F545-L549 HydrophobicContact CE2-CD1 4.26Å; F545-L549 HydrophobicContact CZ-CD1 3.92Å; F545-L549 HydrophobicContact CZ-CD2 4.35Å; F545-L549 WeakPolarHBondContact O-CB 3.48Å; F545-L549 PolarHBondContact O-N 2.88Å; L546-L549 HydrophobicContact CD2-CD2 4.36Å; L546-L549 WeakPolarHBondContact O-CB 3.47Å; L546-L549 PolarHBondContact O-N 3.25Å; D547-L549 VanDerWaalsContact C-N 3.29Å; D547-L549 PolarHBondContact O-N 2.86Å |
| 550 | I | 92.3 | Very high | 78.4 | Confident | 22 Ų | 22 | 61.9 Ų | 61.9 | 11% | 0.113 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -86.1 | -9.6 | -178.6 | 65.5 | 173.9 | 0 | 0 | 0 | 113.7 | F445 K446 H449 I469 L546 D547 K548 V552 | F445-I550 HydrophobicContact CB-CG2 4.23Å; K446-I550 HydrophobicContact CB-CB 4.07Å; K446-I550 HydrophobicContact CB-CG2 4.41Å; K446-I550 VanDerWaalsContact CD-O 3.31Å; K446-I550 WeakPolarHBondContact CD-O 3.03Å; K446-I550 HydrophobicContact CG-CB 4.4Å; H449-I550 HydrophobicContact CB-CD1 4.18Å; I469-I550 HydrophobicContact CD1-CG2 3.84Å; L546-I550 PolarHBondContact O-N 3.34Å; D547-I550 VanDerWaalsContact O-CG1 3.23Å; D547-I550 WeakPolarHBondContact O-CG1 3.25Å; D547-I550 PolarHBondContact O-N 3.44Å; K548-I550 VanDerWaalsContact C-N 3.32Å; K548-I550 PolarHBondContact O-N 3.24Å; I550-V552 VanDerWaalsContact C-N 3.26Å; I550-V552 PolarHBondContact O-N 3.39Å |
| 551 | D | 91.5 | Very high | 76.1 | Confident | 124 Ų | 124 | 61.2 Ų | 61.2 | 66% | 0.663 | 34% | 0.342 | S | S | * | . | trans | -74.5 | 78.8 | 172.4 | -169.8 | 21 | 0 | 0 | 0 | 110.9 | R442 D547 K548 | R442-D551 PolarHBondContact NH2-O 2.81Å; D547-D551 PolarHBondContact O-N 3.4Å; K548-D551 PolarHBondContact O-N 3.32Å | ||
| 552 | V | 85.9 | Confident | 73.7 | Confident | 10 Ų | 10 | 65.4 Ų | 65.4 | 6% | 0.061 | 36% | 0.356 | C | S | . | . | trans | -140.1 | 139.6 | -179.1 | 63.5 | 0 | 0 | 0 | 0 | 111.3 | R442 V443 K446 I550 I556 | R442-V552 HydrophobicContact CB-CB 4.28Å; R442-V552 HydrophobicContact CB-CG1 3.88Å; V443-V552 HydrophobicContact CG2-CG1 3.65Å; V443-V552 HydrophobicContact CG2-CG2 4.16Å; K446-V552 HydrophobicContact CD-CG1 4.16Å; K446-V552 PolarHBondContact NZ-O 3.37Å; I550-V552 VanDerWaalsContact C-N 3.26Å; I550-V552 PolarHBondContact O-N 3.39Å; V552-I556 HydrophobicContact CG2-CD1 4.3Å | ||
| 553 | D | 75.4 | Confident | 71.1 | Confident | 112 Ų | 112 | 76.4 Ų | 76.4 | 60% | 0.599 | 40% | 0.398 | S | S | * | . | trans | -74.5 | 134.1 | 175.3 | -71.7 | -36.8 | 0 | 0 | 0 | 111.4 | D555 I556 | D553-D555 VanDerWaalsContact C-N 3.26Å; D553-D555 PolarHBondContact O-N 3.23Å; D553-I556 HydrophobicContact CB-CD1 3.97Å; D553-I556 HydrophobicContact CB-CG1 4.14Å; D553-I556 PolarHBondContact O-N 3.12Å | ||
| 554 | H | 63.1 | Low | 68.6 | Low | 91 Ų | 91 | 75.9 Ų | 75.9 | 42% | 0.421 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -66.6 | -29.2 | -176.5 | -132.1 | -58.3 | 0 | 0 | 0 | 112.3 | Q447 I556 V557 | Q447-H554 PolarHBondContact NE2-NE2 2.71Å; H554-I556 PolarHBondContact O-N 2.74Å; H554-V557 PolarHBondContact O-N 2.85Å |
| 555 | D | 58.9 | Low | 66.1 | Low | 139 Ų | 139 | 73.9 Ų | 73.9 | 74% | 0.743 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -70.8 | -12.2 | -176 | -64.6 | -32.1 | 0 | 0 | 0 | 114.2 | D553 V557 | D553-D555 VanDerWaalsContact C-N 3.26Å; D553-D555 PolarHBondContact O-N 3.23Å; D555-V557 VanDerWaalsContact C-N 3.28Å; D555-V557 PolarHBondContact O-N 3.32Å |
| 556 | I | 57 | Low | 63.7 | Low | 81 Ų | 81 | 75.7 Ų | 75.7 | 42% | 0.415 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -71.7 | -21.8 | -179.5 | -60.9 | 173.7 | 0 | 0 | 0 | 111.9 | V552 D553 H554 S559 | V552-I556 HydrophobicContact CG2-CD1 4.3Å; D553-I556 HydrophobicContact CB-CD1 3.97Å; D553-I556 HydrophobicContact CB-CG1 4.14Å; D553-I556 PolarHBondContact O-N 3.12Å; H554-I556 PolarHBondContact O-N 2.74Å; I556-S559 PolarHBondContact O-OG 2.76Å |
| 557 | V | 53.7 | Low | 61.3 | Low | 37 Ų | 37 | 78.8 Ų | 78.8 | 22% | 0.224 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -81.2 | -21.9 | -174.4 | -171.5 | 0 | 0 | 0 | 0 | 112.7 | V440 V443 H554 D555 S559 V560 | V440-V557 HydrophobicContact CG2-CG1 4.42Å; V443-V557 HydrophobicContact CB-CG2 4.08Å; V443-V557 HydrophobicContact CG1-CG2 4.32Å; V443-V557 HydrophobicContact CG2-CG2 3.58Å; H554-V557 PolarHBondContact O-N 2.85Å; D555-V557 VanDerWaalsContact C-N 3.28Å; D555-V557 PolarHBondContact O-N 3.32Å; V557-S559 PolarHBondContact O-N 3.35Å; V557-S559 VanDerWaalsContact O-N 3.08Å; V557-V560 PolarHBondContact O-N 3.34Å |
| 558 | S | 45.8 | Very low | 59 | Low | 112 Ų | 112 | 78.1 Ų | 78.1 | 78% | 0.783 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -66.2 | -9.4 | -179.1 | -58.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 559 | S | 42.7 | Very low | 57.1 | Low | 87 Ų | 87 | 77.6 Ų | 77.6 | 61% | 0.608 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -98.4 | 4.9 | -178.5 | 67 | 0 | 0 | 0 | 0 | 115 | I556 V557 P561 M567 | I556-S559 PolarHBondContact O-OG 2.76Å; V557-S559 PolarHBondContact O-N 3.35Å; V557-S559 VanDerWaalsContact O-N 3.08Å; S559-P561 WeakPolarHBondContact O-CD 3.39Å; S559-M567 WeakPolarHBondContact O-CE 3.36Å |
| 560 | V | 43.4 | Very low | 55.7 | Low | 60 Ų | 60 | 79.4 Ų | 79.4 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -83.7 | 120.3 | 179.6 | -173.3 | 0 | 0 | 0 | 0 | 110.5 | V557 Q562 M567 | V557-V560 PolarHBondContact O-N 3.34Å; V560-Q562 PolarHBondContact O-N 2.96Å; V560-M567 HydrophobicContact CB-CE 4.26Å; V560-M567 HydrophobicContact CG1-CE 4.27Å; V560-M567 HydrophobicContact CG2-CE 4.17Å |
| 561 | P | 40.8 | Very low | 54.6 | Low | 57 Ų | 57 | 80.3 Ų | 80.3 | 37% | 0.37 | 44% | 0.442 | S | S | . | . | trans | -57.5 | 126.6 | -178.4 | -24.3 | 32.2 | 0 | 0 | 0 | 112.8 | S559 R563 A564 M567 | S559-P561 WeakPolarHBondContact O-CD 3.39Å; P561-R563 PolarHBondContact O-N 3.07Å; P561-A564 PolarHBondContact O-N 2.76Å; P561-M567 WeakPolarHBondContact CD-SD 3.17Å; P561-M567 HydrophobicContact CG-CE 4.39Å; P561-M567 HydrophobicContact CG-SD 3.8Å | ||
| 562 | Q | 43.8 | Very low | 53.7 | Low | 144 Ų | 144 | 76.1 Ų | 76.1 | 67% | 0.673 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 19.8 | -172.2 | -71.2 | 176.8 | -34.4 | 0 | 0 | 116.5 | V560 | V560-Q562 PolarHBondContact O-N 2.96Š|
| 563 | R | 38 | Very low | 53.5 | Low | 232 Ų | 232 | 77.6 Ų | 77.6 | 88% | 0.875 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.6 | 5.1 | 179.3 | -77.8 | -166.2 | 174.7 | 176.8 | -3.8 | 115.3 | P561 | P561-R563 PolarHBondContact O-N 3.07Š|
| 564 | A | 40.9 | Very low | 54.1 | Low | 41 Ų | 41 | 77 Ų | 77 | 34% | 0.339 | 42% | 0.42 | S | S | . | . | trans | -140 | 124.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | P561 F566 | P561-A564 PolarHBondContact O-N 2.76Å; A564-F566 WeakPolarHBondContact CB-O 3.34Å; A564-F566 PolarHBondContact O-N 2.93Å | ||
| 565 | V | 41.6 | Very low | 55.2 | Low | 35 Ų | 35 | 73.2 Ų | 73.2 | 21% | 0.212 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -52.6 | -22.8 | 168.1 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | L318 L725 | L318-V565 HydrophobicContact CB-CG2 4.26Å; L318-V565 HydrophobicContact CD1-CG1 4.46Å; L318-V565 HydrophobicContact CD1-CG2 4.2Å; V565-L725 HydrophobicContact CG2-CD1 3.37Å; V565-L725 HydrophobicContact CG2-CD2 3.79Å; V565-L725 HydrophobicContact CG2-CG 3.43Å; V565-L725 VanDerWaalsContact CG2-CG 3.43Å |
| 566 | F | 45.4 | Very low | 56.7 | Low | 38 Ų | 38 | 71 Ų | 71 | 17% | 0.167 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -124.7 | 131.8 | -178.5 | -55.6 | -67 | 0 | 0 | 0 | 109.9 | A564 V570 W721 | A564-F566 WeakPolarHBondContact CB-O 3.34Å; A564-F566 PolarHBondContact O-N 2.93Å; F566-V570 HydrophobicContact CB-CB 3.69Å; F566-V570 HydrophobicContact CB-CG1 3.91Å; F566-V570 HydrophobicContact CB-CG2 3.87Å; F566-V570 HydrophobicContact CD1-CB 4.47Å; F566-V570 HydrophobicContact CD1-CG1 3.8Å; F566-V570 HydrophobicContact CG-CB 4.42Å; F566-V570 HydrophobicContact CG-CG1 4.1Å; F566-W721 HydrophobicContact CE1-CZ3 4.1Å; F566-W721 HydrophobicContact CZ-CE3 4.34Å; F566-W721 HydrophobicContact CZ-CH2 4.37Å; F566-W721 AromaticContact CZ-CZ3 3.64Å; F566-W721 HydrophobicContact CZ-CZ3 3.64Å |
| 567 | M | 45.2 | Very low | 58.5 | Low | 67 Ų | 67 | 67.2 Ų | 67.2 | 33% | 0.33 | 37% | 0.369 | S | S | . | . | trans | -48.6 | 149 | 168.6 | -65.3 | -93.4 | 171.4 | 0 | 0 | 109.9 | S559 V560 P561 S569 V570 | S559-M567 WeakPolarHBondContact O-CE 3.36Å; V560-M567 HydrophobicContact CB-CE 4.26Å; V560-M567 HydrophobicContact CG1-CE 4.27Å; V560-M567 HydrophobicContact CG2-CE 4.17Å; P561-M567 WeakPolarHBondContact CD-SD 3.17Å; P561-M567 HydrophobicContact CG-CE 4.39Å; P561-M567 HydrophobicContact CG-SD 3.8Å; M567-S569 PolarHBondContact O-N 2.96Å; M567-V570 HydrophobicContact CB-CG2 3.94Å; M567-V570 WeakPolarHBondContact O-CB 3.39Å; M567-V570 WeakPolarHBondContact O-CG2 3.47Å; M567-V570 PolarHBondContact O-N 3.33Å | ||
| 568 | P | 46.4 | Very low | 60.4 | Low | 50 Ų | 50 | 68.6 Ų | 68.6 | 33% | 0.325 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -26.6 | -179.3 | -25.6 | 31.5 | 0 | 0 | 0 | 114.3 | S602 E603 | P568-S602 WeakPolarHBondContact CA-OG 3.34Å; P568-S602 PolarHBondContact O-OG 3Å; P568-S602 VanDerWaalsContact O-OG 3.05Å; P568-E603 HydrophobicContact CB-CG 4.2Å; P568-E603 VanDerWaalsContact CB-OE1 3.24Å; P568-E603 WeakPolarHBondContact CB-OE1 3.2Å |
| 569 | S | 55.4 | Low | 62.7 | Low | 91 Ų | 91 | 64.6 Ų | 64.6 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -4.9 | 178.8 | 50.9 | 0 | 0 | 0 | 0 | 116.3 | M567 | M567-S569 PolarHBondContact O-N 2.96Š|
| 570 | V | 62.9 | Low | 64.9 | Low | 37 Ų | 37 | 62.1 Ų | 62.1 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -72.1 | 135.1 | -180 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | L365 F566 M567 V572 | L365-V570 HydrophobicContact CD1-CG1 3.99Å; F566-V570 HydrophobicContact CB-CB 3.69Å; F566-V570 HydrophobicContact CB-CG1 3.91Å; F566-V570 HydrophobicContact CB-CG2 3.87Å; F566-V570 HydrophobicContact CD1-CB 4.47Å; F566-V570 HydrophobicContact CD1-CG1 3.8Å; F566-V570 HydrophobicContact CG-CB 4.42Å; F566-V570 HydrophobicContact CG-CG1 4.1Å; M567-V570 HydrophobicContact CB-CG2 3.94Å; M567-V570 WeakPolarHBondContact O-CB 3.39Å; M567-V570 WeakPolarHBondContact O-CG2 3.47Å; M567-V570 PolarHBondContact O-N 3.33Å; V570-V572 PolarHBondContact O-N 2.93Å |
| 571 | T | 69.8 | Low | 66.7 | Low | 41 Ų | 41 | 64 Ų | 64 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 110.6 | 172.2 | -55.9 | 0 | 0 | 0 | 0 | 110 | K573 E574 L600 | T571-K573 WeakPolarHBondContact CG2-O 3.38Å; T571-E574 HydrophobicContact CG2-CB 3.77Å; T571-E574 HydrophobicContact CG2-CG 3.98Å; T571-L600 CarbonylContact C-O 3.38Å; T571-L600 WeakPolarHBondContact CA-O 3.49Å |
| 572 | V | 72.4 | Confident | 68.1 | Low | 37 Ų | 37 | 63 Ų | 63 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | -42.7 | 171.2 | 178 | 0 | 0 | 0 | 0 | 110.4 | V570 L600 V675 | V570-V572 PolarHBondContact O-N 2.93Å; V572-L600 HydrophobicContact CB-CD2 4.37Å; V572-L600 HydrophobicContact CB-CG 4.32Å; V572-L600 HydrophobicContact CG1-CD2 4.3Å; V572-L600 PolarHBondContact N-O 3.47Å; V572-V675 HydrophobicContact CG2-CG1 4.34Å |
| 573 | K | 81 | Confident | 68.9 | Low | 41 Ų | 41 | 61 Ų | 61 | 18% | 0.178 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 143.9 | 178 | -165.5 | 174.2 | -178.3 | 69.7 | 0 | 111.3 | T571 L600 W668 A671 | T571-K573 WeakPolarHBondContact CG2-O 3.38Å; K573-L600 HydrophobicContact CB-CB 4.35Å; K573-L600 HydrophobicContact CB-CD2 4.47Å; K573-L600 PolarHBondContact N-O 2.63Å; K573-L600 WeakPolarHBondContact O-CB 3.27Å; K573-L600 PolarHBondContact O-N 2.81Å; K573-W668 HydrophobicContact CB-CH2 4.22Å; K573-W668 HydrophobicContact CB-CZ3 4.3Å; K573-W668 HydrophobicContact CD-CD2 3.71Å; K573-W668 HydrophobicContact CD-CE3 4.06Å; K573-W668 HydrophobicContact CD-CG 4.09Å; K573-W668 HydrophobicContact CD-CH2 4.45Å; K573-W668 HydrophobicContact CD-CZ2 4.12Å; K573-W668 HydrophobicContact CD-CZ3 4.42Å; K573-W668 HydrophobicContact CG-CD2 4.35Å; K573-W668 HydrophobicContact CG-CH2 4.06Å; K573-W668 HydrophobicContact CG-CZ2 3.88Å; K573-W668 HydrophobicContact CG-CZ3 4.38Å; K573-A671 HydrophobicContact CB-CB 4.47Å; K573-A671 HydrophobicContact CD-CB 4.13Å |
| 574 | E | 87.2 | Confident | 69.7 | Low | 98 Ų | 98 | 52.7 Ų | 52.7 | 46% | 0.458 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 159.7 | 172.3 | 59.9 | 176.3 | -178.3 | 0 | 0 | 112.5 | T571 Y597 F598 W599 | T571-E574 HydrophobicContact CG2-CB 3.77Å; T571-E574 HydrophobicContact CG2-CG 3.98Å; E574-Y597 HydrophobicContact CB-CE1 3.78Å; E574-Y597 HydrophobicContact CG-CE1 4.26Å; E574-Y597 WeakPolarHBondContact CG-OH 3.42Å; E574-Y597 PolarHBondContact OE1-OH 2.63Å; E574-Y597 WeakPolarHBondContact OE2-CE1 3.1Å; E574-Y597 PolarHBondContact OE2-OH 3.46Å; E574-F598 WeakPolarHBondContact CA-O 3.49Å; E574-F598 WeakPolarHBondContact CB-O 3.35Å; E574-W599 HydrophobicContact CB-CG 4.49Å; E574-W599 PolarHBondContact OE2-NE1 3.49Å |
| 575 | G | 87.4 | Confident | 70 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 13% | 0.134 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162 | 171.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y597 F598 | G575-Y597 WeakPolarHBondContact O-CA 3.4Å; G575-F598 PolarHBondContact N-O 3.4Å; G575-F598 VanDerWaalsContact N-O 3.09Å; G575-F598 PolarHBondContact O-N 3.26Å |
| 576 | Y | 90.6 | Very high | 70.4 | Confident | 92 Ų | 92 | 61.5 Ų | 61.5 | 36% | 0.361 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 123.2 | 175.5 | -77.4 | -75.1 | 0 | 0 | 0 | 111.2 | K595 R596 Y597 | Y576-K595 HydrophobicContact CD1-CD 4.23Å; Y576-K595 HydrophobicContact CD1-CG 3.97Å; Y576-K595 VanDerWaalsContact CG-CE 3.5Å; Y576-R596 CarbonylContact C-O 3.54Å; Y576-R596 WeakPolarHBondContact CA-O 3.34Å; Y576-Y597 AromaticContact CD1-CD2 3.89Å; Y576-Y597 HydrophobicContact CD1-CD2 3.89Å; Y576-Y597 AromaticContact CD2-CD2 3.7Å; Y576-Y597 HydrophobicContact CD2-CD2 3.7Å; Y576-Y597 HydrophobicContact CD2-CE2 4.03Å; Y576-Y597 AromaticContact CE1-CD2 3.78Å; Y576-Y597 HydrophobicContact CE1-CD2 3.78Å; Y576-Y597 HydrophobicContact CE1-CG 4.4Å; Y576-Y597 AromaticContact CE2-CD2 3.57Å; Y576-Y597 HydrophobicContact CE2-CD2 3.57Å; Y576-Y597 AromaticContact CE2-CE2 3.91Å; Y576-Y597 HydrophobicContact CE2-CE2 3.91Å; Y576-Y597 AromaticContact CG-CD2 3.86Å; Y576-Y597 HydrophobicContact CG-CD2 3.86Å; Y576-Y597 AromaticContact CZ-CD2 3.6Å |
| 577 | L | 94.4 | Very high | 70.4 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 165.3 | 173 | -58.2 | 173 | 0 | 0 | 0 | 110.9 | K595 R596 F598 M641 I657 C659 E664 W668 | L577-K595 CarbonylContact O-C 3.35Å; L577-K595 WeakPolarHBondContact O-CA 3.45Å; L577-R596 PolarHBondContact N-O 3.22Å; L577-R596 PolarHBondContact O-N 3.38Å; L577-R596 VanDerWaalsContact O-O 3.06Å; L577-F598 HydrophobicContact CB-CD2 3.67Å; L577-F598 HydrophobicContact CB-CE2 3.69Å; L577-F598 HydrophobicContact CD1-CB 4.32Å; L577-F598 HydrophobicContact CD1-CD2 3.9Å; L577-F598 HydrophobicContact CD1-CE2 4.31Å; L577-F598 HydrophobicContact CD1-CG 4.03Å; L577-F598 HydrophobicContact CG-CD2 4.04Å; L577-F598 HydrophobicContact CG-CE2 4.48Å; L577-M641 HydrophobicContact CD1-CE 4.22Å; L577-I657 HydrophobicContact CB-CG2 3.66Å; L577-I657 HydrophobicContact CD1-CG2 3.63Å; L577-I657 HydrophobicContact CG-CG2 4.17Å; L577-C659 HydrophobicContact CD2-CB 4.49Å; L577-E664 HydrophobicContact CD2-CG 4.27Å; L577-W668 HydrophobicContact CD1-CD2 3.8Å; L577-W668 HydrophobicContact CD1-CE3 4.29Å; L577-W668 HydrophobicContact CD1-CG 4.13Å; L577-W668 HydrophobicContact CD1-CH2 4.45Å; L577-W668 HydrophobicContact CD1-CZ2 3.98Å; L577-W668 HydrophobicContact CG-CZ2 4.45Å |
| 578 | H | 93.6 | Very high | 70.6 | Confident | 67 Ų | 67 | 71.5 Ų | 71.5 | 31% | 0.31 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 116.7 | 178.6 | -66.6 | 87.9 | 0 | 0 | 0 | 109 | F593 I657 Q658 | H578-F593 HydrophobicContact CB-CB 3.87Å; H578-F593 HydrophobicContact CB-CD1 4.43Å; H578-F593 WeakPolarHBondContact O-CD1 3.33Å; H578-I657 CarbonylContact O-C 3.5Å; H578-I657 WeakPolarHBondContact O-CA 3.46Å; H578-Q658 HydrophobicContact CB-CB 4.09Å; H578-Q658 PolarHBondContact N-O 2.84Å; H578-Q658 VanDerWaalsContact N-O 3.1Å; H578-Q658 PolarHBondContact O-N 3.01Å |
| 579 | K | 92.8 | Very high | 70.9 | Confident | 28 Ų | 28 | 73.7 Ų | 73.7 | 12% | 0.122 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 135.8 | -174.4 | -179.6 | -169.1 | 161.2 | -167.3 | 0 | 111.8 | K594 R596 F598 Y607 M655 | K579-K594 PolarHBondContact N-O 3.13Å; K579-K594 PolarHBondContact O-N 3.22Å; K579-R596 HydrophobicContact CB-CG 4.33Å; K579-F598 HydrophobicContact CB-CE2 4.37Å; K579-F598 HydrophobicContact CB-CZ 4.08Å; K579-F598 HydrophobicContact CD-CZ 4.4Å; K579-F598 HydrophobicContact CG-CZ 4.4Å; K579-Y607 HydrophobicContact CD-CD2 4.17Å; K579-Y607 HydrophobicContact CD-CE2 3.84Å; K579-Y607 PolarHBondContact NZ-OH 3.44Å; K579-M655 HydrophobicContact CD-CE 4.18Å; K579-M655 HydrophobicContact CD-CG 4.21Å; K579-M655 HydrophobicContact CD-SD 3.57Å; K579-M655 VanDerWaalsContact CD-SD 3.57Å; K579-M655 WeakPolarHBondContact CE-SD 3.4Å; K579-M655 HydrophobicContact CG-CG 3.83Å; K579-M655 HydrophobicContact CG-SD 3.7Å |
| 580 | H | 89.8 | Confident | 71.1 | Confident | 35 Ų | 35 | 79.8 Ų | 79.8 | 16% | 0.162 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 140.2 | 164.8 | -176 | 76.3 | 0 | 0 | 0 | 110.1 | F591 A592 F593 F635 Y656 | H580-F591 AromaticContact NE2-CD1 3.73Å; H580-A592 PolarHBondContact ND1-O 2.67Å; H580-F593 HydrophobicContact CB-CD1 3.55Å; H580-F593 HydrophobicContact CB-CD2 4.08Å; H580-F593 HydrophobicContact CB-CE1 3.51Å; H580-F593 HydrophobicContact CB-CE2 4.03Å; H580-F593 HydrophobicContact CB-CG 3.84Å; H580-F593 HydrophobicContact CB-CZ 3.76Å; H580-F635 AromaticContact CD2-CE1 3.88Å; H580-Y656 PolarHBondContact N-O 2.82Å; H580-Y656 PolarHBondContact O-N 2.83Å; H580-Y656 VanDerWaalsContact O-O 3.05Å |
| 581 | K | 81.1 | Confident | 71.5 | Confident | 100 Ų | 100 | 80.9 Ų | 80.9 | 44% | 0.435 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 133.3 | 178.8 | -170.4 | -180 | 167.5 | -158.4 | 0 | 108.3 | E583 | K581-E583 VanDerWaalsContact C-N 3.28Å; K581-E583 HydrophobicContact CB-CG 4.33Å; K581-E583 HydrophobicContact CD-CG 3.84Å; K581-E583 VanDerWaalsContact CD-OE1 3.31Å; K581-E583 WeakPolarHBondContact CD-OE1 3.37Å; K581-E583 WeakPolarHBondContact CE-OE1 3.36Å; K581-E583 HydrophobicContact CG-CG 3.94Å; K581-E583 IonicContact NZ-OE1 3.38Å; K581-E583 PolarHBondContact NZ-OE1 3.1Å; K581-E583 PolarHBondContact O-N 2.89Å |
| 582 | A | 70.4 | Confident | 71.9 | Confident | 35 Ų | 35 | 82.1 Ų | 82.1 | 29% | 0.289 | 44% | 0.437 | S | S | . | . | trans | -69.4 | 82.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | T654 Y656 | A582-T654 PolarHBondContact N-O 3.13Å; A582-Y656 HydrophobicContact CB-CE2 4.02Å | ||
| 583 | E | 60.3 | Low | 72.7 | Confident | 102 Ų | 102 | 81.8 Ų | 81.8 | 48% | 0.477 | 43% | 0.433 | S | S | . | . | trans | -110.1 | 114.8 | 177.5 | -72.7 | -169.8 | 167.9 | 0 | 0 | 112 | K581 Q586 | K581-E583 VanDerWaalsContact C-N 3.28Å; K581-E583 HydrophobicContact CB-CG 4.33Å; K581-E583 HydrophobicContact CD-CG 3.84Å; K581-E583 VanDerWaalsContact CD-OE1 3.31Å; K581-E583 WeakPolarHBondContact CD-OE1 3.37Å; K581-E583 WeakPolarHBondContact CE-OE1 3.36Å; K581-E583 HydrophobicContact CG-CG 3.94Å; K581-E583 IonicContact NZ-OE1 3.38Å; K581-E583 PolarHBondContact NZ-OE1 3.1Å; K581-E583 PolarHBondContact O-N 2.89Å; E583-Q586 PolarHBondContact O-NE2 2.91Å | ||
| 584 | G | 55.7 | Low | 73.2 | Confident | 57 Ų | 57 | 86 Ų | 86 | 59% | 0.588 | 45% | 0.451 | S | S | * | . | S | Bend | trans | 56.4 | 174.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q586 | G584-Q586 PolarHBondContact O-N 2.91Š|
| 585 | P | 46.6 | Very low | 73.5 | Confident | 137 Ų | 137 | 86.7 Ų | 86.7 | 89% | 0.89 | 45% | 0.453 | S | S | * | . | trans | -73.1 | 79.8 | 176.8 | 30.8 | -32.1 | 0 | 0 | 0 | 109.6 | ||||
| 586 | Q | 50 | Low | 73.9 | Confident | 125 Ų | 125 | 88.9 Ų | 88.9 | 58% | 0.584 | 46% | 0.457 | S | S | * | . | trans | -85.7 | 119.9 | 175 | -70.3 | -170.5 | 21.3 | 0 | 0 | 110.6 | E583 G584 L588 | E583-Q586 PolarHBondContact O-NE2 2.91Å; G584-Q586 PolarHBondContact O-N 2.91Å; Q586-L588 PolarHBondContact O-N 3.12Å | ||
| 587 | L | 45.6 | Very low | 73.9 | Confident | 185 Ų | 185 | 85.9 Ų | 85.9 | 97% | 0.969 | 45% | 0.445 | S | S | * | . | trans | -66.3 | 9.9 | 176.4 | -83.2 | 143.3 | 0 | 0 | 0 | 114.9 | ||||
| 588 | L | 48.9 | Very low | 73.9 | Confident | 130 Ų | 130 | 85.9 Ų | 85.9 | 68% | 0.681 | 45% | 0.445 | S | S | * | . | trans | -89.2 | 135.3 | -174.9 | -73.4 | 169.3 | 0 | 0 | 0 | 111.9 | Q586 | Q586-L588 PolarHBondContact O-N 3.12Š| ||
| 589 | S | 52.3 | Low | 73.8 | Confident | 96 Ų | 96 | 83.3 Ų | 83.3 | 67% | 0.671 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -79.3 | -13 | -176.9 | 63 | 0 | 0 | 0 | 0 | 114.9 | ||
| 590 | R | 60.5 | Low | 73.5 | Confident | 219 Ų | 219 | 82 Ų | 82 | 83% | 0.826 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -126.7 | 129.1 | -178.5 | -70.9 | -174.9 | 177.2 | 179 | -1 | 111.9 | A592 | R590-A592 PolarHBondContact O-N 3.3Š|
| 591 | F | 70.8 | Confident | 73.2 | Confident | 60 Ų | 60 | 81 Ų | 81 | 26% | 0.263 | 42% | 0.423 | S | S | . | . | trans | -71.1 | 116.7 | 174.4 | -60.8 | -78 | 0 | 0 | 0 | 110.3 | H580 F593 F635 V690 | H580-F591 AromaticContact NE2-CD1 3.73Å; F591-F593 HydrophobicContact CB-CD2 4.39Å; F591-F593 HydrophobicContact CB-CE2 4.06Å; F591-F635 HydrophobicContact CB-CD1 3.89Å; F591-F635 HydrophobicContact CB-CE1 4.3Å; F591-F635 AromaticContact CD1-CD1 3.68Å; F591-F635 HydrophobicContact CD1-CD1 3.68Å; F591-F635 AromaticContact CD1-CE1 3.46Å; F591-F635 HydrophobicContact CD1-CE1 3.46Å; F591-F635 VanDerWaalsContact CD1-CE1 3.46Å; F591-F635 AromaticContact CD2-CD1 3.48Å; F591-F635 HydrophobicContact CD2-CD1 3.48Å; F591-F635 VanDerWaalsContact CD2-CD1 3.48Å; F591-F635 HydrophobicContact CD2-CE1 4.14Å; F591-F635 HydrophobicContact CD2-CG 4.43Å; F591-F635 AromaticContact CE1-CD1 3.95Å; F591-F635 HydrophobicContact CE1-CD1 3.95Å; F591-F635 AromaticContact CE1-CE1 3.6Å; F591-F635 HydrophobicContact CE1-CE1 3.6Å; F591-F635 AromaticContact CE2-CD1 3.75Å; F591-F635 HydrophobicContact CE2-CD1 3.75Å; F591-F635 HydrophobicContact CE2-CE1 4.24Å; F591-F635 AromaticContact CG-CD1 3.41Å; F591-F635 HydrophobicContact CG-CD1 3.41Å; F591-F635 VanDerWaalsContact CG-CD1 3.41Å; F591-F635 AromaticContact CG-CE1 3.73Å; F591-F635 HydrophobicContact CG-CE1 3.73Å; F591-F635 AromaticContact CZ-CD1 3.97Å; F591-F635 HydrophobicContact CZ-CD1 3.97Å; F591-F635 AromaticContact CZ-CE1 3.98Å; F591-F635 HydrophobicContact CZ-CE1 3.98Å; F591-V690 HydrophobicContact CZ-CG1 4.32Å | ||
| 592 | A | 79.6 | Confident | 72.9 | Confident | 67 Ų | 67 | 79 Ų | 79 | 55% | 0.554 | 42% | 0.421 | S | S | * | . | trans | -93.9 | 106 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | H580 R590 | H580-A592 PolarHBondContact ND1-O 2.67Å; R590-A592 PolarHBondContact O-N 3.3Å | ||
| 593 | F | 88.6 | Confident | 73.5 | Confident | 29 Ų | 29 | 82.7 Ų | 82.7 | 13% | 0.127 | 43% | 0.433 | C | S | . | . | trans | -84.9 | 131.8 | 168.2 | -72 | -108.8 | 0 | 0 | 0 | 109.9 | H578 H580 F591 F635 Q637 V640 Q658 | H578-F593 HydrophobicContact CB-CB 3.87Å; H578-F593 HydrophobicContact CB-CD1 4.43Å; H578-F593 WeakPolarHBondContact O-CD1 3.33Å; H580-F593 HydrophobicContact CB-CD1 3.55Å; H580-F593 HydrophobicContact CB-CD2 4.08Å; H580-F593 HydrophobicContact CB-CE1 3.51Å; H580-F593 HydrophobicContact CB-CE2 4.03Å; H580-F593 HydrophobicContact CB-CG 3.84Å; H580-F593 HydrophobicContact CB-CZ 3.76Å; F591-F593 HydrophobicContact CB-CD2 4.39Å; F591-F593 HydrophobicContact CB-CE2 4.06Å; F593-F635 AromaticContact CE2-CD1 3.82Å; F593-F635 HydrophobicContact CE2-CD1 3.82Å; F593-F635 HydrophobicContact CE2-CE1 4.26Å; F593-F635 HydrophobicContact CE2-CG 4.21Å; F593-F635 AromaticContact CZ-CD1 3.91Å; F593-F635 HydrophobicContact CZ-CD1 3.91Å; F593-F635 HydrophobicContact CZ-CD2 4.35Å; F593-F635 HydrophobicContact CZ-CE1 4.12Å; F593-F635 HydrophobicContact CZ-CG 4.05Å; F593-F635 HydrophobicContact CZ-CZ 4.44Å; F593-Q637 VanDerWaalsContact CD2-OE1 3.29Å; F593-V640 HydrophobicContact CE1-CG1 4.35Å; F593-V640 HydrophobicContact CZ-CG1 4.35Å; F593-Q658 HydrophobicContact CD1-CB 3.81Å; F593-Q658 HydrophobicContact CE1-CB 3.9Å; F593-Q658 HydrophobicContact CG-CB 4.5Å | ||
| 594 | K | 91.3 | Very high | 75 | Confident | 129 Ų | 129 | 79.4 Ų | 79.4 | 56% | 0.561 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123.9 | -177 | -64.1 | 179.3 | -178.2 | 173.5 | 0 | 109.6 | K579 R596 | K579-K594 PolarHBondContact N-O 3.13Å; K579-K594 PolarHBondContact O-N 3.22Å; K594-R596 PolarHBondContact O-N 2.85Å |
| 595 | K | 93.8 | Very high | 76.8 | Confident | 114 Ų | 114 | 76.7 Ų | 76.7 | 50% | 0.496 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 128.5 | 174.2 | -170.3 | 176.1 | -179.5 | -180 | 0 | 110.8 | Y576 L577 | Y576-K595 HydrophobicContact CD1-CD 4.23Å; Y576-K595 HydrophobicContact CD1-CG 3.97Å; Y576-K595 VanDerWaalsContact CG-CE 3.5Å; L577-K595 CarbonylContact O-C 3.35Å; L577-K595 WeakPolarHBondContact O-CA 3.45Å |
| 596 | R | 94.4 | Very high | 79 | Confident | 58 Ų | 58 | 70.7 Ų | 70.7 | 22% | 0.219 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 150.3 | 179.2 | -67.6 | -65.4 | 178.8 | -91.8 | 3 | 109.1 | Y576 L577 K579 K594 F598 Y607 A608 | Y576-R596 CarbonylContact C-O 3.54Å; Y576-R596 WeakPolarHBondContact CA-O 3.34Å; L577-R596 PolarHBondContact N-O 3.22Å; L577-R596 PolarHBondContact O-N 3.38Å; L577-R596 VanDerWaalsContact O-O 3.06Å; K579-R596 HydrophobicContact CB-CG 4.33Å; K594-R596 PolarHBondContact O-N 2.85Å; R596-F598 HydrophobicContact CB-CD2 4.19Å; R596-F598 HydrophobicContact CB-CE2 3.74Å; R596-Y607 HydrophobicContact CG-CD2 4.49Å; R596-A608 CarbonylContact C-O 3.58Å; R596-A608 VanDerWaalsContact CA-O 3.25Å; R596-A608 WeakPolarHBondContact CA-O 3.25Å; R596-A608 WeakPolarHBondContact CB-O 3.13Å; R596-A608 WeakPolarHBondContact CD-O 3.43Å |
| 597 | Y | 92.4 | Very high | 81.1 | Confident | 30 Ų | 30 | 66.1 Ų | 66.1 | 12% | 0.118 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 131.1 | 169.1 | -160.6 | -85 | 0 | 0 | 0 | 108.6 | E574 G575 Y576 W599 Y607 A608 | E574-Y597 HydrophobicContact CB-CE1 3.78Å; E574-Y597 HydrophobicContact CG-CE1 4.26Å; E574-Y597 WeakPolarHBondContact CG-OH 3.42Å; E574-Y597 PolarHBondContact OE1-OH 2.63Å; E574-Y597 WeakPolarHBondContact OE2-CE1 3.1Å; E574-Y597 PolarHBondContact OE2-OH 3.46Å; G575-Y597 WeakPolarHBondContact O-CA 3.4Å; Y576-Y597 AromaticContact CD1-CD2 3.89Å; Y576-Y597 HydrophobicContact CD1-CD2 3.89Å; Y576-Y597 AromaticContact CD2-CD2 3.7Å; Y576-Y597 HydrophobicContact CD2-CD2 3.7Å; Y576-Y597 HydrophobicContact CD2-CE2 4.03Å; Y576-Y597 AromaticContact CE1-CD2 3.78Å; Y576-Y597 HydrophobicContact CE1-CD2 3.78Å; Y576-Y597 HydrophobicContact CE1-CG 4.4Å; Y576-Y597 AromaticContact CE2-CD2 3.57Å; Y576-Y597 HydrophobicContact CE2-CD2 3.57Å; Y576-Y597 AromaticContact CE2-CE2 3.91Å; Y576-Y597 HydrophobicContact CE2-CE2 3.91Å; Y576-Y597 AromaticContact CG-CD2 3.86Å; Y576-Y597 HydrophobicContact CG-CD2 3.86Å; Y576-Y597 AromaticContact CZ-CD2 3.6Å; Y597-W599 AromaticContact CD1-CD2 3.82Å; Y597-W599 HydrophobicContact CD1-CD2 3.82Å; Y597-W599 AromaticContact CD1-CE2 3.37Å; Y597-W599 HydrophobicContact CD1-CE3 4.02Å; Y597-W599 AromaticContact CD1-CH2 3.46Å; Y597-W599 HydrophobicContact CD1-CH2 3.46Å; Y597-W599 VanDerWaalsContact CD1-CH2 3.46Å; Y597-W599 AromaticContact CD1-CZ2 3.2Å; Y597-W599 HydrophobicContact CD1-CZ2 3.2Å; Y597-W599 AromaticContact CD1-CZ3 3.85Å; Y597-W599 HydrophobicContact CD1-CZ3 3.85Å; Y597-W599 AromaticContact CD1-NE1 3.93Å; Y597-W599 HydrophobicContact CE1-CD2 4.12Å; Y597-W599 AromaticContact CE1-CE2 3.45Å; Y597-W599 VanDerWaalsContact CE1-CE2 3.45Å; Y597-W599 HydrophobicContact CE1-CH2 4.3Å; Y597-W599 AromaticContact CE1-CZ2 3.58Å; Y597-W599 HydrophobicContact CE1-CZ2 3.58Å; Y597-W599 AromaticContact CE1-NE1 3.49Å; Y597-W599 HydrophobicContact CG-CH2 4.13Å; Y597-W599 HydrophobicContact CG-CZ2 4.17Å; Y597-W599 WeakPolarHBondContact O-CZ3 3.23Å; Y597-Y607 CarbonylContact O-C 3.54Å; Y597-Y607 WeakPolarHBondContact O-CA 3.46Å; Y597-Y607 WeakPolarHBondContact O-CB 3.4Å; Y597-A608 PolarHBondContact N-O 3.43Å; Y597-A608 PolarHBondContact O-N 2.76Å |
| 598 | F | 94.3 | Very high | 83.3 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 147 | -178.1 | -78.3 | -103.1 | 0 | 0 | 0 | 110.8 | E574 G575 L577 K579 R596 L605 S606 Y607 M655 I657 W668 | E574-F598 WeakPolarHBondContact CA-O 3.49Å; E574-F598 WeakPolarHBondContact CB-O 3.35Å; G575-F598 PolarHBondContact N-O 3.4Å; G575-F598 VanDerWaalsContact N-O 3.09Å; G575-F598 PolarHBondContact O-N 3.26Å; L577-F598 HydrophobicContact CB-CD2 3.67Å; L577-F598 HydrophobicContact CB-CE2 3.69Å; L577-F598 HydrophobicContact CD1-CB 4.32Å; L577-F598 HydrophobicContact CD1-CD2 3.9Å; L577-F598 HydrophobicContact CD1-CE2 4.31Å; L577-F598 HydrophobicContact CD1-CG 4.03Å; L577-F598 HydrophobicContact CG-CD2 4.04Å; L577-F598 HydrophobicContact CG-CE2 4.48Å; K579-F598 HydrophobicContact CB-CE2 4.37Å; K579-F598 HydrophobicContact CB-CZ 4.08Å; K579-F598 HydrophobicContact CD-CZ 4.4Å; K579-F598 HydrophobicContact CG-CZ 4.4Å; R596-F598 HydrophobicContact CB-CD2 4.19Å; R596-F598 HydrophobicContact CB-CE2 3.74Å; F598-L605 HydrophobicContact CD1-CD1 3.95Å; F598-L605 HydrophobicContact CD1-CG 4.43Å; F598-S606 CarbonylContact C-O 3.56Å; F598-S606 WeakPolarHBondContact CA-O 3.19Å; F598-Y607 HydrophobicContact CD1-CD1 4.32Å; F598-Y607 HydrophobicContact CD1-CG 4.32Å; F598-Y607 AromaticContact CE1-CD1 3.87Å; F598-Y607 HydrophobicContact CE1-CD1 3.87Å; F598-Y607 AromaticContact CE1-CG 3.94Å; F598-Y607 HydrophobicContact CE1-CG 3.94Å; F598-Y607 HydrophobicContact CZ-CD1 4.46Å; F598-Y607 HydrophobicContact CZ-CG 4.19Å; F598-M655 HydrophobicContact CE1-SD 4.36Å; F598-M655 HydrophobicContact CZ-SD 4.42Å; F598-I657 HydrophobicContact CE1-CD1 3.82Å; F598-I657 HydrophobicContact CZ-CD1 3.96Å; F598-I657 HydrophobicContact CZ-CG1 4.32Å; F598-W668 HydrophobicContact CB-CH2 3.71Å; F598-W668 HydrophobicContact CB-CZ2 4.25Å; F598-W668 HydrophobicContact CB-CZ3 4.3Å |
| 599 | W | 90.3 | Very high | 85.3 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 5% | 0.049 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 129.2 | 170.1 | -63.5 | -91.1 | 0 | 0 | 0 | 108.4 | E574 Y597 S606 A608 S611 R616 | E574-W599 HydrophobicContact CB-CG 4.49Å; E574-W599 PolarHBondContact OE2-NE1 3.49Å; Y597-W599 AromaticContact CD1-CD2 3.82Å; Y597-W599 HydrophobicContact CD1-CD2 3.82Å; Y597-W599 AromaticContact CD1-CE2 3.37Å; Y597-W599 HydrophobicContact CD1-CE3 4.02Å; Y597-W599 AromaticContact CD1-CH2 3.46Å; Y597-W599 HydrophobicContact CD1-CH2 3.46Å; Y597-W599 VanDerWaalsContact CD1-CH2 3.46Å; Y597-W599 AromaticContact CD1-CZ2 3.2Å; Y597-W599 HydrophobicContact CD1-CZ2 3.2Å; Y597-W599 AromaticContact CD1-CZ3 3.85Å; Y597-W599 HydrophobicContact CD1-CZ3 3.85Å; Y597-W599 AromaticContact CD1-NE1 3.93Å; Y597-W599 HydrophobicContact CE1-CD2 4.12Å; Y597-W599 AromaticContact CE1-CE2 3.45Å; Y597-W599 VanDerWaalsContact CE1-CE2 3.45Å; Y597-W599 HydrophobicContact CE1-CH2 4.3Å; Y597-W599 AromaticContact CE1-CZ2 3.58Å; Y597-W599 HydrophobicContact CE1-CZ2 3.58Å; Y597-W599 AromaticContact CE1-NE1 3.49Å; Y597-W599 HydrophobicContact CG-CH2 4.13Å; Y597-W599 HydrophobicContact CG-CZ2 4.17Å; Y597-W599 WeakPolarHBondContact O-CZ3 3.23Å; W599-S606 PolarHBondContact N-O 3.38Å; W599-S606 PolarHBondContact O-N 3.35Å; W599-A608 HydrophobicContact CH2-CB 4.16Å; W599-A608 HydrophobicContact CZ3-CB 3.82Å; W599-S611 VanDerWaalsContact CZ2-O 3.29Å; W599-S611 WeakPolarHBondContact CZ2-O 3.49Å; W599-R616 HydrophobicContact CZ3-CG 4.48Å |
| 600 | L | 88.1 | Confident | 87 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.6 | 171.6 | -178.6 | 66.7 | 0 | 0 | 0 | 108.4 | T571 V572 K573 L605 I621 W668 A671 I672 V675 | T571-L600 CarbonylContact C-O 3.38Å; T571-L600 WeakPolarHBondContact CA-O 3.49Å; V572-L600 HydrophobicContact CB-CD2 4.37Å; V572-L600 HydrophobicContact CB-CG 4.32Å; V572-L600 HydrophobicContact CG1-CD2 4.3Å; V572-L600 PolarHBondContact N-O 3.47Å; K573-L600 HydrophobicContact CB-CB 4.35Å; K573-L600 HydrophobicContact CB-CD2 4.47Å; K573-L600 PolarHBondContact N-O 2.63Å; K573-L600 WeakPolarHBondContact O-CB 3.27Å; K573-L600 PolarHBondContact O-N 2.81Å; L600-L605 HydrophobicContact CB-CD1 4.48Å; L600-L605 HydrophobicContact CD1-CB 4.3Å; L600-L605 HydrophobicContact CD1-CD1 4.1Å; L600-I621 HydrophobicContact CD1-CD1 3.8Å; L600-W668 HydrophobicContact CB-CZ3 3.98Å; L600-A671 HydrophobicContact CD2-CB 3.59Å; L600-I672 HydrophobicContact CD1-CG1 4.17Å; L600-I672 HydrophobicContact CD2-CG1 4.01Å; L600-V675 HydrophobicContact CD1-CG2 3.88Å; L600-V675 HydrophobicContact CD2-CG2 4.46Å; L600-V675 HydrophobicContact CG-CG2 4.43Å |
| 601 | T | 83.1 | Confident | 88 | Confident | 15 Ų | 15 | 47.1 Ų | 47.1 | 9% | 0.092 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 175.6 | 165.9 | 71.2 | 0 | 0 | 0 | 0 | 109.1 | E603 T604 | T601-E603 PolarHBondContact O-N 3.08Å; T601-E603 PolarHBondContact OG1-N 2.8Å; T601-T604 PolarHBondContact N-O 2.66Å; T601-T604 PolarHBondContact OG1-N 2.71Å; T601-T604 PolarHBondContact OG1-O 2.76Å; T601-T604 PolarHBondContact OG1-OG1 2.77Å |
| 602 | S | 74.8 | Confident | 88.4 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 39% | 0.392 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -61 | -22.4 | 171.4 | 65.8 | 0 | 0 | 0 | 0 | 113.2 | P568 | P568-S602 WeakPolarHBondContact CA-OG 3.34Å; P568-S602 PolarHBondContact O-OG 3Å; P568-S602 VanDerWaalsContact O-OG 3.05Å |
| 603 | E | 83.3 | Confident | 88.5 | Confident | 113 Ų | 113 | 52.7 Ų | 52.7 | 53% | 0.528 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -106 | -32.5 | -175.1 | -62.6 | -175.2 | 163.9 | 0 | 0 | 114 | P568 T601 I621 | P568-E603 HydrophobicContact CB-CG 4.2Å; P568-E603 VanDerWaalsContact CB-OE1 3.24Å; P568-E603 WeakPolarHBondContact CB-OE1 3.2Å; T601-E603 PolarHBondContact O-N 3.08Å; T601-E603 PolarHBondContact OG1-N 2.8Å; E603-I621 VanDerWaalsContact C-CG1 3.45Å; E603-I621 WeakPolarHBondContact O-CG1 3.3Å; E603-I621 PolarHBondContact O-N 3.32Å |
| 604 | T | 90.4 | Very high | 87.7 | Confident | 33 Ų | 33 | 60.1 Ų | 60.1 | 20% | 0.202 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 145.9 | -173.4 | 71.9 | 0 | 0 | 0 | 0 | 114.3 | T601 S606 S618 I619 | T601-T604 PolarHBondContact N-O 2.66Å; T601-T604 PolarHBondContact OG1-N 2.71Å; T601-T604 PolarHBondContact OG1-O 2.76Å; T601-T604 PolarHBondContact OG1-OG1 2.77Å; T604-S606 PolarHBondContact OG1-OG 3.15Å; T604-S618 VanDerWaalsContact CB-OG 3.3Å; T604-S618 WeakPolarHBondContact CB-OG 3.41Å; T604-I619 CarbonylContact C-O 3.57Å; T604-I619 WeakPolarHBondContact CA-O 3.48Å |
| 605 | L | 93.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 105.5 | 160 | 177.9 | 64.6 | 0 | 0 | 0 | 108.6 | F598 L600 I619 I621 V643 W668 I672 | F598-L605 HydrophobicContact CD1-CD1 3.95Å; F598-L605 HydrophobicContact CD1-CG 4.43Å; L600-L605 HydrophobicContact CB-CD1 4.48Å; L600-L605 HydrophobicContact CD1-CB 4.3Å; L600-L605 HydrophobicContact CD1-CD1 4.1Å; L605-I619 HydrophobicContact CB-CB 4.45Å; L605-I619 PolarHBondContact N-O 3.21Å; L605-I619 PolarHBondContact O-N 2.99Å; L605-I621 HydrophobicContact CB-CD1 4.08Å; L605-V643 HydrophobicContact CD2-CG1 4.41Å; L605-V643 HydrophobicContact CD2-CG2 4.49Å; L605-W668 HydrophobicContact CD1-CZ3 4.35Å; L605-I672 HydrophobicContact CD2-CD1 4.3Å |
| 606 | S | 93.2 | Very high | 86.8 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 8% | 0.077 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 149.6 | -175.6 | -63.2 | 0 | 0 | 0 | 0 | 111.9 | F598 W599 T604 S617 S618 | F598-S606 CarbonylContact C-O 3.56Å; F598-S606 WeakPolarHBondContact CA-O 3.19Å; W599-S606 PolarHBondContact N-O 3.38Å; W599-S606 PolarHBondContact O-N 3.35Å; T604-S606 PolarHBondContact OG1-OG 3.15Å; S606-S617 CarbonylContact C-O 3.38Å; S606-S617 VanDerWaalsContact CA-O 3.25Å; S606-S617 WeakPolarHBondContact CA-O 3.42Å; S606-S618 WeakPolarHBondContact OG-CB 3.13Å; S606-S618 PolarHBondContact OG-OG 3.11Å |
| 607 | Y | 94.1 | Very high | 86.6 | Confident | 29 Ų | 29 | 60 Ų | 60 | 11% | 0.114 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 151.7 | 177.4 | 59.7 | -86.8 | 0 | 0 | 0 | 113.9 | K579 R596 Y597 F598 S617 I619 M655 | K579-Y607 HydrophobicContact CD-CD2 4.17Å; K579-Y607 HydrophobicContact CD-CE2 3.84Å; K579-Y607 PolarHBondContact NZ-OH 3.44Å; R596-Y607 HydrophobicContact CG-CD2 4.49Å; Y597-Y607 CarbonylContact O-C 3.54Å; Y597-Y607 WeakPolarHBondContact O-CA 3.46Å; Y597-Y607 WeakPolarHBondContact O-CB 3.4Å; F598-Y607 HydrophobicContact CD1-CD1 4.32Å; F598-Y607 HydrophobicContact CD1-CG 4.32Å; F598-Y607 AromaticContact CE1-CD1 3.87Å; F598-Y607 HydrophobicContact CE1-CD1 3.87Å; F598-Y607 AromaticContact CE1-CG 3.94Å; F598-Y607 HydrophobicContact CE1-CG 3.94Å; F598-Y607 HydrophobicContact CZ-CD1 4.46Å; F598-Y607 HydrophobicContact CZ-CG 4.19Å; Y607-S617 VanDerWaalsContact CE2-CB 3.48Å; Y607-S617 PolarHBondContact N-O 3Å; Y607-S617 PolarHBondContact O-N 3.19Å; Y607-I619 HydrophobicContact CE1-CD1 4.15Å; Y607-I619 HydrophobicContact CE1-CG1 4.48Å; Y607-M655 HydrophobicContact CE1-CE 3.73Å; Y607-M655 HydrophobicContact CE1-SD 4.41Å |
| 608 | A | 93.3 | Very high | 86.6 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 178.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R596 Y597 W599 W613 R616 | R596-A608 CarbonylContact C-O 3.58Å; R596-A608 VanDerWaalsContact CA-O 3.25Å; R596-A608 WeakPolarHBondContact CA-O 3.25Å; R596-A608 WeakPolarHBondContact CB-O 3.13Å; R596-A608 WeakPolarHBondContact CD-O 3.43Å; Y597-A608 PolarHBondContact N-O 3.43Å; Y597-A608 PolarHBondContact O-N 2.76Å; W599-A608 HydrophobicContact CH2-CB 4.16Å; W599-A608 HydrophobicContact CZ3-CB 3.82Å; A608-W613 HydrophobicContact CB-CB 3.81Å; A608-W613 HydrophobicContact CB-CG 4.26Å; A608-R616 HydrophobicContact CB-CG 4.41Å |
| 609 | K | 89.9 | Confident | 86.4 | Confident | 121 Ų | 121 | 62.6 Ų | 62.6 | 53% | 0.526 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -66.7 | -42.2 | 179.8 | -74.4 | -177.7 | -178.5 | 175.4 | 0 | 112.2 | ||
| 610 | T | 87.4 | Confident | 86.5 | Confident | 46 Ų | 46 | 63.9 Ų | 63.9 | 28% | 0.282 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -140.2 | 166.2 | -177.4 | 53.7 | 0 | 0 | 0 | 0 | 109.3 | D612 W613 | T610-D612 VanDerWaalsContact C-N 3.33Å; T610-D612 WeakPolarHBondContact CB-OD1 3.19Å; T610-D612 PolarHBondContact O-N 3.5Å; T610-D612 PolarHBondContact OG1-OD1 3.33Å; T610-W613 WeakPolarHBondContact O-CB 3.07Å; T610-W613 PolarHBondContact O-N 2.72Å |
| 611 | S | 82.4 | Confident | 86.6 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 39% | 0.392 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -27.5 | -176 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | W599 W613 | W599-S611 VanDerWaalsContact CZ2-O 3.29Å; W599-S611 WeakPolarHBondContact CZ2-O 3.49Å; S611-W613 VanDerWaalsContact C-N 3.33Å |
| 612 | D | 79.8 | Confident | 86.8 | Confident | 123 Ų | 123 | 70.8 Ų | 70.8 | 66% | 0.658 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -1.2 | -180 | 62.6 | -35.6 | 0 | 0 | 0 | 113.7 | T610 Q614 | T610-D612 VanDerWaalsContact C-N 3.33Å; T610-D612 WeakPolarHBondContact CB-OD1 3.19Å; T610-D612 PolarHBondContact O-N 3.5Å; T610-D612 PolarHBondContact OG1-OD1 3.33Å; D612-Q614 PolarHBondContact O-N 2.89Å |
| 613 | W | 80.1 | Confident | 87.6 | Confident | 121 Ų | 121 | 72.4 Ų | 72.4 | 46% | 0.458 | 37% | 0.365 | S | S | . | . | trans | -74.6 | 122.8 | -171.2 | -156.9 | -92.6 | 0 | 0 | 0 | 112.2 | A608 T610 S611 | A608-W613 HydrophobicContact CB-CB 3.81Å; A608-W613 HydrophobicContact CB-CG 4.26Å; T610-W613 WeakPolarHBondContact O-CB 3.07Å; T610-W613 PolarHBondContact O-N 2.72Å; S611-W613 VanDerWaalsContact C-N 3.33Å | ||
| 614 | Q | 73 | Confident | 88 | Confident | 185 Ų | 185 | 67 Ų | 67 | 86% | 0.864 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -67.3 | -38.1 | -173.6 | -68 | -101 | -39.8 | 0 | 0 | 113.7 | D612 | D612-Q614 PolarHBondContact O-N 2.89Š|
| 615 | V | 78.6 | Confident | 88.1 | Confident | 115 Ų | 115 | 65.5 Ų | 65.5 | 70% | 0.697 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -97.1 | 107.6 | -176.5 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 616 | R | 87.3 | Confident | 87.9 | Confident | 123 Ų | 123 | 65.4 Ų | 65.4 | 46% | 0.464 | 33% | 0.33 | S | S | . | . | trans | -100.1 | 139.7 | -178.5 | -57.6 | 179.7 | -176.2 | -178.1 | -2 | 110.7 | W599 A608 | W599-R616 HydrophobicContact CZ3-CG 4.48Å; A608-R616 HydrophobicContact CB-CG 4.41Å | ||
| 617 | S | 90.5 | Very high | 87.9 | Confident | 61 Ų | 61 | 64.9 Ų | 64.9 | 43% | 0.427 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 131.1 | 161.4 | -63.5 | 0 | 0 | 0 | 0 | 107.6 | S606 Y607 | S606-S617 CarbonylContact C-O 3.38Å; S606-S617 VanDerWaalsContact CA-O 3.25Å; S606-S617 WeakPolarHBondContact CA-O 3.42Å; Y607-S617 VanDerWaalsContact CE2-CB 3.48Å; Y607-S617 PolarHBondContact N-O 3Å; Y607-S617 PolarHBondContact O-N 3.19Å |
| 618 | S | 91.1 | Very high | 87.7 | Confident | 64 Ų | 64 | 63.6 Ų | 63.6 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 138.9 | -175 | -168.9 | 0 | 0 | 0 | 0 | 111.3 | T604 S606 | T604-S618 VanDerWaalsContact CB-OG 3.3Å; T604-S618 WeakPolarHBondContact CB-OG 3.41Å; S606-S618 WeakPolarHBondContact OG-CB 3.13Å; S606-S618 PolarHBondContact OG-OG 3.11Å |
| 619 | I | 91.8 | Very high | 87.5 | Confident | 22 Ų | 22 | 65.6 Ų | 65.6 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 115.6 | 175.7 | -61.9 | 172.6 | 0 | 0 | 0 | 106.8 | T604 L605 Y607 I621 V624 T645 M655 | T604-I619 CarbonylContact C-O 3.57Å; T604-I619 WeakPolarHBondContact CA-O 3.48Å; L605-I619 HydrophobicContact CB-CB 4.45Å; L605-I619 PolarHBondContact N-O 3.21Å; L605-I619 PolarHBondContact O-N 2.99Å; Y607-I619 HydrophobicContact CE1-CD1 4.15Å; Y607-I619 HydrophobicContact CE1-CG1 4.48Å; I619-I621 PolarHBondContact O-N 3.12Å; I619-V624 HydrophobicContact CG2-CG2 4.29Å; I619-T645 HydrophobicContact CD1-CG2 4.47Å; I619-T645 HydrophobicContact CG2-CG2 3.71Å; I619-M655 HydrophobicContact CD1-CE 3.47Å; I619-M655 VanDerWaalsContact CD1-CE 3.47Å |
| 620 | P | 91.3 | Very high | 87.5 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 26% | 0.26 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 134.3 | 170.8 | -22.9 | 32.6 | 0 | 0 | 0 | 110.8 | Q622 R623 | P620-Q622 PolarHBondContact O-N 3.21Å; P620-R623 HydrophobicContact CB-CG 4.32Å; P620-R623 WeakPolarHBondContact O-CB 3.49Å; P620-R623 PolarHBondContact O-N 3.12Å |
| 621 | I | 89.4 | Confident | 87.4 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -60.5 | -32.5 | -179.5 | -67.4 | -58.7 | 0 | 0 | 0 | 111.6 | L600 E603 L605 I619 R623 V624 V675 | L600-I621 HydrophobicContact CD1-CD1 3.8Å; E603-I621 VanDerWaalsContact C-CG1 3.45Å; E603-I621 WeakPolarHBondContact O-CG1 3.3Å; E603-I621 PolarHBondContact O-N 3.32Å; L605-I621 HydrophobicContact CB-CD1 4.08Å; I619-I621 PolarHBondContact O-N 3.12Å; I621-R623 PolarHBondContact O-N 3.1Å; I621-V624 HydrophobicContact CD1-CG2 4.45Å; I621-V624 WeakPolarHBondContact O-CB 3.35Å; I621-V624 PolarHBondContact O-N 3.42Å; I621-V675 HydrophobicContact CD1-CG2 3.71Å; I621-V675 HydrophobicContact CG1-CG2 4Å; I621-V675 HydrophobicContact CG2-CB 4.24Å; I621-V675 HydrophobicContact CG2-CG2 3.9Å; I621-V675 VanDerWaalsContact CG2-O 3.26Å; I621-V675 WeakPolarHBondContact CG2-O 3.37Å |
| 622 | Q | 87.9 | Confident | 87.3 | Confident | 153 Ų | 153 | 60.9 Ų | 60.9 | 72% | 0.715 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -57.9 | -19.5 | 173.2 | -62.4 | 163.4 | -0.3 | 0 | 0 | 114 | P620 N679 | P620-Q622 PolarHBondContact O-N 3.21Å; Q622-N679 PolarHBondContact O-ND2 3.28Å |
| 623 | R | 91.4 | Very high | 87.4 | Confident | 89 Ų | 89 | 56.9 Ų | 56.9 | 34% | 0.336 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -91.1 | -9.3 | 176 | -67 | -171.7 | 177.9 | 164 | -4.4 | 113.4 | P620 I621 C625 T645 Q646 N648 | P620-R623 HydrophobicContact CB-CG 4.32Å; P620-R623 WeakPolarHBondContact O-CB 3.49Å; P620-R623 PolarHBondContact O-N 3.12Å; I621-R623 PolarHBondContact O-N 3.1Å; R623-C625 PolarHBondContact O-N 3.39Å; R623-C625 PolarHBondContact O-SG 2.79Å; R623-T645 CarbonylContact O-C 3.49Å; R623-T645 WeakPolarHBondContact O-CA 3.5Å; R623-Q646 WeakPolarHBondContact CB-O 3.33Å; R623-Q646 PolarHBondContact O-N 3.44Å; R623-N648 PolarHBondContact NH2-ND2 2.9Å; R623-N648 PolarHBondContact NH2-OD1 3.28Å |
| 624 | V | 92.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 116.9 | 179.5 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | I619 I621 V627 V643 T645 I672 N679 | I619-V624 HydrophobicContact CG2-CG2 4.29Å; I621-V624 HydrophobicContact CD1-CG2 4.45Å; I621-V624 WeakPolarHBondContact O-CB 3.35Å; I621-V624 PolarHBondContact O-N 3.42Å; V624-V627 HydrophobicContact CG1-CG2 3.39Å; V624-V643 HydrophobicContact CG1-CG1 4.1Å; V624-V643 HydrophobicContact CG2-CG1 4.23Å; V624-T645 HydrophobicContact CG2-CG2 4.33Å; V624-I672 HydrophobicContact CG1-CG2 4.44Å; V624-N679 PolarHBondContact O-ND2 2.99Å |
| 625 | C | 91.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -20.5 | -175.5 | -60 | 0 | 0 | 0 | 0 | 113 | R623 I644 Q646 R681 M682 L683 | R623-C625 PolarHBondContact O-N 3.39Å; R623-C625 PolarHBondContact O-SG 2.79Å; C625-I644 PolarHBondContact N-O 2.82Å; C625-Q646 WeakPolarHBondContact SG-CB 3.22Å; C625-R681 WeakPolarHBondContact CB-O 3.41Å; C625-R681 PolarHBondContact SG-O 3.48Å; C625-R681 VanDerWaalsContact SG-O 3.4Å; C625-M682 CarbonylContact O-C 3.59Å; C625-M682 VanDerWaalsContact O-CA 3.3Å; C625-M682 WeakPolarHBondContact O-CA 3.22Å; C625-M682 VanDerWaalsContact O-SD 3.41Å; C625-L683 HydrophobicContact CB-CD1 4.15Å; C625-L683 HydrophobicContact CB-CG 3.97Å; C625-L683 PolarHBondContact O-N 2.94Å |
| 626 | A | 90.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 147.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | E628 I644 L683 T712 | A626-E628 HydrophobicContact CB-CG 4.25Å; A626-I644 HydrophobicContact CB-CB 4.07Å; A626-I644 HydrophobicContact CB-CD1 4.03Å; A626-I644 HydrophobicContact CB-CG1 4.19Å; A626-I644 PolarHBondContact N-O 3.27Å; A626-I644 PolarHBondContact O-N 3.29Å; A626-L683 HydrophobicContact CB-CD1 4.48Å; A626-T712 HydrophobicContact CB-CG2 3.85Å |
| 627 | V | 91.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 104.8 | 176.1 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | V624 Q642 V643 L669 I672 R673 | V624-V627 HydrophobicContact CG1-CG2 3.39Å; V627-Q642 WeakPolarHBondContact CA-O 3.39Å; V627-V643 HydrophobicContact CG1-CG2 4.43Å; V627-V643 HydrophobicContact CG2-CG1 4.38Å; V627-L669 HydrophobicContact CG1-CD2 3.73Å; V627-I672 HydrophobicContact CG1-CB 4.19Å; V627-I672 HydrophobicContact CG1-CD1 4.36Å; V627-I672 HydrophobicContact CG1-CG2 4.38Å; V627-I672 HydrophobicContact CG2-CB 4.24Å; V627-I672 HydrophobicContact CG2-CG2 3.58Å; V627-R673 HydrophobicContact CB-CG 4.2Å; V627-R673 PolarHBondContact O-NE 3.02Å; V627-R673 PolarHBondContact O-NH2 2.78Å |
| 628 | E | 90.9 | Very high | 88 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 159.8 | -162.4 | -58.8 | -61.2 | 163.6 | 0 | 0 | 112.4 | A626 M641 Q642 R673 F686 T712 H713 S714 | A626-E628 HydrophobicContact CB-CG 4.25Å; E628-M641 CarbonylContact O-C 3.5Å; E628-M641 VanDerWaalsContact O-CA 3.24Å; E628-M641 WeakPolarHBondContact O-CA 3.27Å; E628-M641 WeakPolarHBondContact O-CB 3.25Å; E628-Q642 HydrophobicContact CB-CG 4.17Å; E628-Q642 PolarHBondContact N-O 3.08Å; E628-Q642 WeakPolarHBondContact O-CG 3.45Å; E628-Q642 PolarHBondContact O-N 3.05Å; E628-R673 IonicContact OE1-NH2 3.43Å; E628-R673 IonicContact OE2-CZ 3.47Å; E628-R673 IonicContact OE2-NH2 2.76Å; E628-R673 PolarHBondContact OE2-NH2 3.3Å; E628-F686 HydrophobicContact CB-CD1 4.18Å; E628-F686 HydrophobicContact CB-CD2 3.84Å; E628-F686 HydrophobicContact CB-CE1 3.75Å; E628-F686 HydrophobicContact CB-CE2 3.41Å; E628-F686 VanDerWaalsContact CB-CE2 3.41Å; E628-F686 HydrophobicContact CB-CG 4.2Å; E628-F686 HydrophobicContact CB-CZ 3.37Å; E628-F686 HydrophobicContact CG-CD1 3.61Å; E628-F686 HydrophobicContact CG-CD2 4.07Å; E628-F686 HydrophobicContact CG-CE1 3.46Å; E628-F686 VanDerWaalsContact CG-CE1 3.46Å; E628-F686 HydrophobicContact CG-CE2 3.98Å; E628-F686 HydrophobicContact CG-CG 3.9Å; E628-F686 HydrophobicContact CG-CZ 3.69Å; E628-T712 HydrophobicContact CG-CG2 4.07Å; E628-T712 VanDerWaalsContact OE1-CA 3.26Å; E628-T712 WeakPolarHBondContact OE1-CA 3.25Å; E628-T712 WeakPolarHBondContact OE1-CB 3.45Å; E628-T712 WeakPolarHBondContact OE1-CG2 3.36Å; E628-H713 VanDerWaalsContact CD-N 3.34Å; E628-H713 PolarHBondContact OE1-N 2.87Å; E628-H713 IonicContact OE2-CD2 3.46Å; E628-H713 PolarHBondContact OE2-N 2.88Å; E628-H713 VanDerWaalsContact OE2-N 3.17Å; E628-S714 PolarHBondContact OE1-N 2.78Å |
| 629 | R | 89.3 | Confident | 87.8 | Confident | 49 Ų | 49 | 43.8 Ų | 43.8 | 19% | 0.185 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 151.5 | 172.3 | -71.4 | 175.3 | 160 | -173.4 | -16.8 | 110.8 | E37 V38 L665 N666 L669 | E37-R629 IonicContact OE1-CZ 2.7Å; E37-R629 IonicContact OE1-NE 3.73Å; E37-R629 IonicContact OE1-NH1 3.66Å; E37-R629 PolarHBondContact OE1-NH1 2.7Å; V38-R629 PolarHBondContact O-NH1 3.34Å; V38-R629 PolarHBondContact O-NH2 3.45Å; R629-L665 HydrophobicContact CG-CD2 4.31Å; R629-N666 VanDerWaalsContact NH2-CG 3.34Å; R629-N666 PolarHBondContact NH2-ND2 2.76Å; R629-N666 PolarHBondContact NH2-OD1 3.12Å; R629-L669 HydrophobicContact CG-CD1 3.56Å |
| 630 | V | 89.6 | Confident | 87.8 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 9% | 0.085 | 20% | 0.203 | C | C | . | . | trans | -108.1 | 136.5 | 176.3 | 174.6 | 0 | 0 | 0 | 0 | 107.6 | A634 F635 V640 Q642 Y656 P688 | V630-A634 HydrophobicContact CG1-CB 3.66Å; V630-F635 HydrophobicContact CG1-CD2 3.79Å; V630-F635 HydrophobicContact CG1-CE2 3.82Å; V630-V640 HydrophobicContact CB-CB 4.02Å; V630-V640 HydrophobicContact CB-CG1 3.95Å; V630-V640 WeakPolarHBondContact CB-O 3.28Å; V630-V640 HydrophobicContact CG1-CB 4.44Å; V630-V640 HydrophobicContact CG1-CG1 4.24Å; V630-V640 HydrophobicContact CG2-CG1 4Å; V630-V640 PolarHBondContact N-O 2.91Å; V630-Q642 HydrophobicContact CG2-CB 3.69Å; V630-Q642 HydrophobicContact CG2-CG 3.93Å; V630-Y656 HydrophobicContact CG2-CD1 3.74Å; V630-Y656 HydrophobicContact CG2-CE1 3.97Å; V630-P688 WeakPolarHBondContact CA-O 3.35Å; V630-P688 WeakPolarHBondContact CG1-O 3.3Å | ||
| 631 | D | 85.1 | Confident | 87.9 | Confident | 13 Ų | 13 | 41 Ų | 41 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | trans | -63.3 | 136.9 | 177.5 | -171.8 | -91.6 | 0 | 0 | 0 | 110.7 | R176 N633 A634 P688 | R176-D631 WeakPolarHBondContact CD-OD2 3.44Å; R176-D631 IonicContact CZ-OD2 3.16Å; R176-D631 IonicContact NE-OD2 2.65Å; R176-D631 IonicContact NH1-OD2 3.53Å; R176-D631 PolarHBondContact NH1-OD2 2.95Å; D631-N633 PolarHBondContact O-N 2.86Å; D631-N633 VanDerWaalsContact OD1-CB 3.25Å; D631-N633 WeakPolarHBondContact OD1-CB 3.3Å; D631-N633 PolarHBondContact OD1-N 2.93Å; D631-N633 VanDerWaalsContact OD1-N 3.13Å; D631-A634 WeakPolarHBondContact O-CB 3.48Å; D631-A634 PolarHBondContact O-N 3.44Å; D631-P688 HydrophobicContact CB-CB 4.19Å; D631-P688 PolarHBondContact N-O 3.4Å | ||
| 632 | E | 81.5 | Confident | 88.1 | Confident | 98 Ų | 98 | 40.8 Ų | 40.8 | 46% | 0.458 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.2 | -32 | -173.2 | -63.1 | -166.3 | 171 | 0 | 0 | 112.5 | A634 Q636 | E632-A634 PolarHBondContact O-N 3.21Å; E632-Q636 WeakPolarHBondContact O-CA 3.49Å; E632-Q636 PolarHBondContact O-N 2.93Å |
| 633 | N | 81.3 | Confident | 88.4 | Confident | 39 Ų | 39 | 33.5 Ų | 33.5 | 21% | 0.209 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.4 | -20.3 | 177.6 | 179.6 | 39.4 | 0 | 0 | 0 | 112.7 | T153 D631 F635 | T153-N633 HydrophobicContact CG2-CB 3.79Å; T153-N633 VanDerWaalsContact CG2-ND2 3.26Å; T153-N633 WeakPolarHBondContact CG2-ND2 3.16Å; D631-N633 PolarHBondContact O-N 2.86Å; D631-N633 VanDerWaalsContact OD1-CB 3.25Å; D631-N633 WeakPolarHBondContact OD1-CB 3.3Å; D631-N633 PolarHBondContact OD1-N 2.93Å; D631-N633 VanDerWaalsContact OD1-N 3.13Å; N633-F635 VanDerWaalsContact C-N 3.35Å; N633-F635 PolarHBondContact O-N 3.24Å |
| 634 | A | 85.6 | Confident | 88.5 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.033 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.7 | -41 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | V630 D631 E632 V690 | V630-A634 HydrophobicContact CG1-CB 3.66Å; D631-A634 WeakPolarHBondContact O-CB 3.48Å; D631-A634 PolarHBondContact O-N 3.44Å; E632-A634 PolarHBondContact O-N 3.21Å; A634-V690 HydrophobicContact CB-CG1 4.25Å |
| 635 | F | 85.2 | Confident | 88.5 | Confident | 14 Ų | 14 | 30.7 Ų | 30.7 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -123.4 | -8.4 | -176.8 | -66.3 | -78.4 | 0 | 0 | 0 | 113.9 | H580 F591 F593 V630 N633 Q637 V640 Y656 V690 | H580-F635 AromaticContact CD2-CE1 3.88Å; F591-F635 HydrophobicContact CB-CD1 3.89Å; F591-F635 HydrophobicContact CB-CE1 4.3Å; F591-F635 AromaticContact CD1-CD1 3.68Å; F591-F635 HydrophobicContact CD1-CD1 3.68Å; F591-F635 AromaticContact CD1-CE1 3.46Å; F591-F635 HydrophobicContact CD1-CE1 3.46Å; F591-F635 VanDerWaalsContact CD1-CE1 3.46Å; F591-F635 AromaticContact CD2-CD1 3.48Å; F591-F635 HydrophobicContact CD2-CD1 3.48Å; F591-F635 VanDerWaalsContact CD2-CD1 3.48Å; F591-F635 HydrophobicContact CD2-CE1 4.14Å; F591-F635 HydrophobicContact CD2-CG 4.43Å; F591-F635 AromaticContact CE1-CD1 3.95Å; F591-F635 HydrophobicContact CE1-CD1 3.95Å; F591-F635 AromaticContact CE1-CE1 3.6Å; F591-F635 HydrophobicContact CE1-CE1 3.6Å; F591-F635 AromaticContact CE2-CD1 3.75Å; F591-F635 HydrophobicContact CE2-CD1 3.75Å; F591-F635 HydrophobicContact CE2-CE1 4.24Å; F591-F635 AromaticContact CG-CD1 3.41Å; F591-F635 HydrophobicContact CG-CD1 3.41Å; F591-F635 VanDerWaalsContact CG-CD1 3.41Å; F591-F635 AromaticContact CG-CE1 3.73Å; F591-F635 HydrophobicContact CG-CE1 3.73Å; F591-F635 AromaticContact CZ-CD1 3.97Å; F591-F635 HydrophobicContact CZ-CD1 3.97Å; F591-F635 AromaticContact CZ-CE1 3.98Å; F591-F635 HydrophobicContact CZ-CE1 3.98Å; F593-F635 AromaticContact CE2-CD1 3.82Å; F593-F635 HydrophobicContact CE2-CD1 3.82Å; F593-F635 HydrophobicContact CE2-CE1 4.26Å; F593-F635 HydrophobicContact CE2-CG 4.21Å; F593-F635 AromaticContact CZ-CD1 3.91Å; F593-F635 HydrophobicContact CZ-CD1 3.91Å; F593-F635 HydrophobicContact CZ-CD2 4.35Å; F593-F635 HydrophobicContact CZ-CE1 4.12Å; F593-F635 HydrophobicContact CZ-CG 4.05Å; F593-F635 HydrophobicContact CZ-CZ 4.44Å; V630-F635 HydrophobicContact CG1-CD2 3.79Å; V630-F635 HydrophobicContact CG1-CE2 3.82Å; N633-F635 VanDerWaalsContact C-N 3.35Å; N633-F635 PolarHBondContact O-N 3.24Å; F635-Q637 HydrophobicContact CB-CB 4.04Å; F635-Q637 HydrophobicContact CB-CG 4.22Å; F635-Q637 PolarHBondContact O-N 3.04Å; F635-V640 HydrophobicContact CD2-CG1 4.24Å; F635-V640 HydrophobicContact CE2-CG1 4.44Å; F635-Y656 AromaticContact CE2-CD1 3.59Å; F635-Y656 HydrophobicContact CE2-CD1 3.59Å; F635-Y656 HydrophobicContact CE2-CD2 4.17Å; F635-Y656 AromaticContact CE2-CE1 3.87Å; F635-Y656 HydrophobicContact CE2-CE1 3.87Å; F635-Y656 HydrophobicContact CE2-CE2 4.4Å; F635-Y656 AromaticContact CE2-CG 3.73Å; F635-Y656 HydrophobicContact CE2-CG 3.73Å; F635-Y656 AromaticContact CZ-CD1 3.88Å; F635-Y656 HydrophobicContact CZ-CD1 3.88Å; F635-Y656 AromaticContact CZ-CD2 3.57Å; F635-Y656 HydrophobicContact CZ-CD2 3.57Å; F635-Y656 HydrophobicContact CZ-CE1 4.13Å; F635-Y656 AromaticContact CZ-CE2 3.81Å; F635-Y656 HydrophobicContact CZ-CE2 3.81Å; F635-Y656 AromaticContact CZ-CG 3.57Å; F635-Y656 HydrophobicContact CZ-CG 3.57Å; F635-V690 HydrophobicContact CZ-CB 4.41Å |
| 636 | Q | 82.8 | Confident | 88.5 | Confident | 169 Ų | 169 | 33.1 Ų | 33.1 | 79% | 0.79 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 38.6 | -164.1 | -59.3 | 179.2 | -17.9 | 0 | 0 | 111.2 | E632 | E632-Q636 WeakPolarHBondContact O-CA 3.49Å; E632-Q636 PolarHBondContact O-N 2.93Å |
| 637 | Q | 83.3 | Confident | 88.4 | Confident | 57 Ų | 57 | 35 Ų | 35 | 27% | 0.266 | 17% | 0.169 | S | C | . | . | trans | -134.7 | 134.8 | 179.8 | -69.3 | -164.5 | -34.6 | 0 | 0 | 108.9 | F593 F635 V640 | F593-Q637 VanDerWaalsContact CD2-OE1 3.29Å; F635-Q637 HydrophobicContact CB-CB 4.04Å; F635-Q637 HydrophobicContact CB-CG 4.22Å; F635-Q637 PolarHBondContact O-N 3.04Å; Q637-V640 HydrophobicContact CB-CG2 3.94Å | ||
| 638 | Q | 84.4 | Confident | 88 | Confident | 114 Ų | 114 | 41.1 Ų | 41.1 | 53% | 0.533 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -80.3 | 162.7 | 173.8 | -62.9 | -173.7 | -20.7 | 0 | 0 | 111.2 | V640 | Q638-V640 PolarHBondContact O-N 2.69Š|
| 639 | N | 88 | Confident | 87.7 | Confident | 35 Ų | 35 | 48.4 Ų | 48.4 | 19% | 0.187 | 24% | 0.24 | C | C | . | . | S | Bend | trans | 61.2 | 39.4 | 171.1 | -50.1 | -57.6 | 0 | 0 | 0 | 114.3 | C659 V662 L665 | N639-C659 HydrophobicContact CB-CB 4.44Å; N639-C659 PolarHBondContact O-N 2.83Å; N639-V662 VanDerWaalsContact OD1-CA 3.27Å; N639-V662 WeakPolarHBondContact OD1-CA 3.43Å; N639-V662 PolarHBondContact OD1-N 2.84Å; N639-V662 VanDerWaalsContact OD1-N 3.1Å; N639-L665 HydrophobicContact CB-CB 4.45Å; N639-L665 HydrophobicContact CB-CD2 4.46Å |
| 640 | V | 91.8 | Very high | 87.3 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.024 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131.7 | 178.1 | -172.6 | 0 | 0 | 0 | 0 | 110 | F593 V630 F635 Q637 Q638 I657 Q658 | F593-V640 HydrophobicContact CE1-CG1 4.35Å; F593-V640 HydrophobicContact CZ-CG1 4.35Å; V630-V640 HydrophobicContact CB-CB 4.02Å; V630-V640 HydrophobicContact CB-CG1 3.95Å; V630-V640 WeakPolarHBondContact CB-O 3.28Å; V630-V640 HydrophobicContact CG1-CB 4.44Å; V630-V640 HydrophobicContact CG1-CG1 4.24Å; V630-V640 HydrophobicContact CG2-CG1 4Å; V630-V640 PolarHBondContact N-O 2.91Å; F635-V640 HydrophobicContact CD2-CG1 4.24Å; F635-V640 HydrophobicContact CE2-CG1 4.44Å; Q637-V640 HydrophobicContact CB-CG2 3.94Å; Q638-V640 PolarHBondContact O-N 2.69Å; V640-I657 WeakPolarHBondContact CA-O 3.4Å; V640-Q658 HydrophobicContact CG2-CB 4.13Å; V640-Q658 HydrophobicContact CG2-CG 4.21Å |
| 641 | M | 93.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 163 | 166 | 57.3 | 177.6 | -177.5 | 0 | 0 | 111.1 | L577 E628 Y656 I657 L665 W668 L669 I672 | L577-M641 HydrophobicContact CD1-CE 4.22Å; E628-M641 CarbonylContact O-C 3.5Å; E628-M641 VanDerWaalsContact O-CA 3.24Å; E628-M641 WeakPolarHBondContact O-CA 3.27Å; E628-M641 WeakPolarHBondContact O-CB 3.25Å; M641-Y656 CarbonylContact O-C 3.55Å; M641-Y656 WeakPolarHBondContact O-CA 3.25Å; M641-I657 HydrophobicContact CE-CB 3.74Å; M641-I657 HydrophobicContact CE-CD1 3.88Å; M641-I657 HydrophobicContact CE-CG1 4.38Å; M641-I657 HydrophobicContact CE-CG2 3.62Å; M641-I657 HydrophobicContact CG-CB 3.96Å; M641-I657 WeakPolarHBondContact CG-O 3.19Å; M641-I657 PolarHBondContact N-O 2.95Å; M641-I657 PolarHBondContact O-N 3.1Å; M641-L665 HydrophobicContact CB-CD1 3.56Å; M641-L665 HydrophobicContact CG-CD1 3.87Å; M641-L665 HydrophobicContact SD-CD1 4.34Å; M641-W668 HydrophobicContact CE-CB 3.73Å; M641-W668 HydrophobicContact CE-CG 4.3Å; M641-W668 HydrophobicContact SD-CB 4.06Å; M641-L669 HydrophobicContact CB-CD2 3.66Å; M641-L669 HydrophobicContact CB-CG 4.31Å; M641-L669 HydrophobicContact CG-CD2 4.47Å; M641-L669 HydrophobicContact SD-CD2 4.02Å; M641-L669 HydrophobicContact SD-CG 4.23Å; M641-I672 HydrophobicContact CE-CD1 4.19Å; M641-I672 HydrophobicContact SD-CD1 4.47Å |
| 642 | Q | 93.5 | Very high | 87.3 | Confident | 3 Ų | 3 | 57 Ų | 57 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 141.9 | 169.3 | 62.5 | -175.4 | -47.7 | 0 | 0 | 110.9 | V627 E628 V630 T654 M655 Y656 F686 H687 | V627-Q642 WeakPolarHBondContact CA-O 3.39Å; E628-Q642 HydrophobicContact CB-CG 4.17Å; E628-Q642 PolarHBondContact N-O 3.08Å; E628-Q642 WeakPolarHBondContact O-CG 3.45Å; E628-Q642 PolarHBondContact O-N 3.05Å; V630-Q642 HydrophobicContact CG2-CB 3.69Å; V630-Q642 HydrophobicContact CG2-CG 3.93Å; Q642-T654 HydrophobicContact CB-CG2 3.86Å; Q642-M655 CarbonylContact C-O 3.59Å; Q642-M655 VanDerWaalsContact CA-O 3.27Å; Q642-M655 WeakPolarHBondContact CA-O 3.3Å; Q642-Y656 HydrophobicContact CB-CD1 3.8Å; Q642-Y656 HydrophobicContact CB-CE1 3.91Å; Q642-F686 VanDerWaalsContact NE2-CE2 3.33Å; Q642-H687 PolarHBondContact NE2-O 3.43Å; Q642-H687 PolarHBondContact OE1-O 3.48Å |
| 643 | V | 94.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 110.8 | 170.8 | -177.5 | 0 | 0 | 0 | 0 | 106.6 | L605 V624 V627 T645 M655 I657 I672 | L605-V643 HydrophobicContact CD2-CG1 4.41Å; L605-V643 HydrophobicContact CD2-CG2 4.49Å; V624-V643 HydrophobicContact CG1-CG1 4.1Å; V624-V643 HydrophobicContact CG2-CG1 4.23Å; V627-V643 HydrophobicContact CG1-CG2 4.43Å; V627-V643 HydrophobicContact CG2-CG1 4.38Å; V643-T645 HydrophobicContact CG1-CG2 4.11Å; V643-M655 PolarHBondContact N-O 3.04Å; V643-M655 PolarHBondContact O-N 3.5Å; V643-I657 HydrophobicContact CG2-CD1 3.96Å; V643-I672 HydrophobicContact CG2-CD1 4.33Å |
| 644 | I | 92.8 | Very high | 88.1 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.051 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 126.5 | 177.2 | -53.2 | -176.7 | 0 | 0 | 0 | 107.7 | C625 A626 L652 T654 L683 F686 | C625-I644 PolarHBondContact N-O 2.82Å; A626-I644 HydrophobicContact CB-CB 4.07Å; A626-I644 HydrophobicContact CB-CD1 4.03Å; A626-I644 HydrophobicContact CB-CG1 4.19Å; A626-I644 PolarHBondContact N-O 3.27Å; A626-I644 PolarHBondContact O-N 3.29Å; I644-L652 HydrophobicContact CG2-CB 4.36Å; I644-L652 HydrophobicContact CG2-CD2 4.2Å; I644-T654 HydrophobicContact CG1-CG2 4.23Å; I644-L683 HydrophobicContact CD1-CD1 4.39Å; I644-L683 HydrophobicContact CG2-CD1 3.89Å; I644-F686 HydrophobicContact CD1-CB 3.9Å |
| 645 | T | 92.9 | Very high | 88.5 | Confident | 20 Ų | 20 | 55.1 Ų | 55.1 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 144.4 | -178.7 | 56 | 0 | 0 | 0 | 0 | 111 | I619 R623 V624 V643 L652 N653 | I619-T645 HydrophobicContact CD1-CG2 4.47Å; I619-T645 HydrophobicContact CG2-CG2 3.71Å; R623-T645 CarbonylContact O-C 3.49Å; R623-T645 WeakPolarHBondContact O-CA 3.5Å; V624-T645 HydrophobicContact CG2-CG2 4.33Å; V643-T645 HydrophobicContact CG1-CG2 4.11Å; T645-L652 CarbonylContact O-C 3.55Å; T645-L652 WeakPolarHBondContact O-CA 3.22Å; T645-N653 PolarHBondContact N-O 2.87Å; T645-N653 PolarHBondContact O-N 3.49Å; T645-N653 PolarHBondContact OG1-O 3.18Å |
| 646 | Q | 91 | Very high | 88.9 | Confident | 52 Ų | 52 | 54.7 Ų | 54.7 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 128.8 | 173.1 | -166.7 | 176.6 | 43.5 | 0 | 0 | 109.9 | R623 C625 G650 L652 | R623-Q646 WeakPolarHBondContact CB-O 3.33Å; R623-Q646 PolarHBondContact O-N 3.44Å; C625-Q646 WeakPolarHBondContact SG-CB 3.22Å; Q646-G650 PolarHBondContact NE2-O 3.24Å; Q646-L652 HydrophobicContact CB-CD2 3.97Å; Q646-L652 HydrophobicContact CG-CD2 4.12Å |
| 647 | D | 87.1 | Confident | 89.5 | Confident | 39 Ų | 39 | 46.7 Ų | 46.7 | 21% | 0.209 | 25% | 0.245 | C | C | . | . | trans | -80 | 177.1 | 171.6 | 61 | 32 | 0 | 0 | 0 | 112 | D649 G650 K651 N653 | D647-D649 PolarHBondContact O-N 2.82Å; D647-D649 PolarHBondContact OD1-N 3.35Å; D647-D649 VanDerWaalsContact OD1-N 3.11Å; D647-G650 PolarHBondContact O-N 3.44Å; D647-G650 VanDerWaalsContact O-N 3.11Å; D647-G650 PolarHBondContact OD1-N 3.19Å; D647-K651 PolarHBondContact N-O 3.16Å; D647-K651 WeakPolarHBondContact OD1-CB 3.42Å; D647-K651 PolarHBondContact OD1-N 3.19Å; D647-K651 WeakPolarHBondContact OD2-CB 3.46Å; D647-N653 PolarHBondContact OD2-ND2 3.22Å | ||
| 648 | N | 84.3 | Confident | 90 | Very high | 129 Ų | 129 | 46 Ų | 46 | 69% | 0.69 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -20.8 | -178.3 | -68.4 | -9.3 | 0 | 0 | 0 | 112.8 | R623 G650 | R623-N648 PolarHBondContact NH2-ND2 2.9Å; R623-N648 PolarHBondContact NH2-OD1 3.28Å; N648-G650 VanDerWaalsContact C-N 3.26Å |
| 649 | D | 83.4 | Confident | 90.3 | Very high | 153 Ų | 153 | 40.7 Ų | 40.7 | 82% | 0.818 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 6.9 | 179.3 | -57.6 | -43 | 0 | 0 | 0 | 111.7 | D647 K651 | D647-D649 PolarHBondContact O-N 2.82Å; D647-D649 PolarHBondContact OD1-N 3.35Å; D647-D649 VanDerWaalsContact OD1-N 3.11Å; D649-K651 VanDerWaalsContact C-N 3.27Å; D649-K651 PolarHBondContact O-N 2.73Å |
| 650 | G | 81.2 | Confident | 90.3 | Very high | 37 Ų | 37 | 46.4 Ų | 46.4 | 38% | 0.381 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 80.2 | 2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q646 D647 N648 | Q646-G650 PolarHBondContact NE2-O 3.24Å; D647-G650 PolarHBondContact O-N 3.44Å; D647-G650 VanDerWaalsContact O-N 3.11Å; D647-G650 PolarHBondContact OD1-N 3.19Å; N648-G650 VanDerWaalsContact C-N 3.26Å |
| 651 | K | 86.3 | Confident | 89.7 | Confident | 139 Ų | 139 | 48.5 Ų | 48.5 | 60% | 0.604 | 25% | 0.252 | S | S | * | . | trans | -81.9 | 133.9 | -177.3 | 177 | -176.9 | -178.4 | 179.2 | 0 | 111.1 | D647 D649 | D647-K651 PolarHBondContact N-O 3.16Å; D647-K651 WeakPolarHBondContact OD1-CB 3.42Å; D647-K651 PolarHBondContact OD1-N 3.19Å; D647-K651 WeakPolarHBondContact OD2-CB 3.46Å; D649-K651 VanDerWaalsContact C-N 3.27Å; D649-K651 PolarHBondContact O-N 2.73Å | ||
| 652 | L | 88.6 | Confident | 89 | Confident | 80 Ų | 80 | 49.6 Ų | 49.6 | 42% | 0.419 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 133.7 | 179.3 | -60.8 | 178.6 | 0 | 0 | 0 | 111.5 | I644 T645 Q646 L683 | I644-L652 HydrophobicContact CG2-CB 4.36Å; I644-L652 HydrophobicContact CG2-CD2 4.2Å; T645-L652 CarbonylContact O-C 3.55Å; T645-L652 WeakPolarHBondContact O-CA 3.22Å; Q646-L652 HydrophobicContact CB-CD2 3.97Å; Q646-L652 HydrophobicContact CG-CD2 4.12Å; L652-L683 HydrophobicContact CD1-CD1 4.09Å; L652-L683 HydrophobicContact CD2-CD1 4.38Å |
| 653 | N | 89.6 | Confident | 88.2 | Confident | 60 Ų | 60 | 50.9 Ų | 50.9 | 32% | 0.321 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 126.3 | 176.4 | -65.5 | -69.5 | 0 | 0 | 0 | 109.4 | T645 D647 | T645-N653 PolarHBondContact N-O 2.87Å; T645-N653 PolarHBondContact O-N 3.49Å; T645-N653 PolarHBondContact OG1-O 3.18Å; D647-N653 PolarHBondContact OD2-ND2 3.22Å |
| 654 | T | 91.3 | Very high | 87.7 | Confident | 30 Ų | 30 | 52.9 Ų | 52.9 | 18% | 0.184 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.9 | -179.6 | -50.6 | 0 | 0 | 0 | 0 | 111.2 | A582 Q642 I644 Y656 | A582-T654 PolarHBondContact N-O 3.13Å; Q642-T654 HydrophobicContact CB-CG2 3.86Å; I644-T654 HydrophobicContact CG1-CG2 4.23Å; T654-Y656 HydrophobicContact CG2-CD1 4.34Å; T654-Y656 HydrophobicContact CG2-CE1 3.87Å; T654-Y656 HydrophobicContact CG2-CE2 4.06Å |
| 655 | M | 92.8 | Very high | 87.4 | Confident | 13 Ų | 13 | 52.8 Ų | 52.8 | 6% | 0.064 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128.1 | 168.8 | -176.4 | -179.9 | -48.5 | 0 | 0 | 109.5 | K579 F598 Y607 I619 Q642 V643 I657 | K579-M655 HydrophobicContact CD-CE 4.18Å; K579-M655 HydrophobicContact CD-CG 4.21Å; K579-M655 HydrophobicContact CD-SD 3.57Å; K579-M655 VanDerWaalsContact CD-SD 3.57Å; K579-M655 WeakPolarHBondContact CE-SD 3.4Å; K579-M655 HydrophobicContact CG-CG 3.83Å; K579-M655 HydrophobicContact CG-SD 3.7Å; F598-M655 HydrophobicContact CE1-SD 4.36Å; F598-M655 HydrophobicContact CZ-SD 4.42Å; Y607-M655 HydrophobicContact CE1-CE 3.73Å; Y607-M655 HydrophobicContact CE1-SD 4.41Å; I619-M655 HydrophobicContact CD1-CE 3.47Å; I619-M655 VanDerWaalsContact CD1-CE 3.47Å; Q642-M655 CarbonylContact C-O 3.59Å; Q642-M655 VanDerWaalsContact CA-O 3.27Å; Q642-M655 WeakPolarHBondContact CA-O 3.3Å; V643-M655 PolarHBondContact N-O 3.04Å; V643-M655 PolarHBondContact O-N 3.5Å; M655-I657 HydrophobicContact CG-CD1 4.36Å; M655-I657 HydrophobicContact CG-CG1 4.02Å; M655-I657 HydrophobicContact SD-CD1 3.98Å; M655-I657 HydrophobicContact SD-CG1 4.14Å |
| 656 | Y | 94.2 | Very high | 86.9 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 2% | 0.02 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 135.7 | 174.4 | -59.7 | -76.3 | 0 | 0 | 0 | 109.7 | H580 A582 V630 F635 M641 Q642 T654 G689 V690 | H580-Y656 PolarHBondContact N-O 2.82Å; H580-Y656 PolarHBondContact O-N 2.83Å; H580-Y656 VanDerWaalsContact O-O 3.05Å; A582-Y656 HydrophobicContact CB-CE2 4.02Å; V630-Y656 HydrophobicContact CG2-CD1 3.74Å; V630-Y656 HydrophobicContact CG2-CE1 3.97Å; F635-Y656 AromaticContact CE2-CD1 3.59Å; F635-Y656 HydrophobicContact CE2-CD1 3.59Å; F635-Y656 HydrophobicContact CE2-CD2 4.17Å; F635-Y656 AromaticContact CE2-CE1 3.87Å; F635-Y656 HydrophobicContact CE2-CE1 3.87Å; F635-Y656 HydrophobicContact CE2-CE2 4.4Å; F635-Y656 AromaticContact CE2-CG 3.73Å; F635-Y656 HydrophobicContact CE2-CG 3.73Å; F635-Y656 AromaticContact CZ-CD1 3.88Å; F635-Y656 HydrophobicContact CZ-CD1 3.88Å; F635-Y656 AromaticContact CZ-CD2 3.57Å; F635-Y656 HydrophobicContact CZ-CD2 3.57Å; F635-Y656 HydrophobicContact CZ-CE1 4.13Å; F635-Y656 AromaticContact CZ-CE2 3.81Å; F635-Y656 HydrophobicContact CZ-CE2 3.81Å; F635-Y656 AromaticContact CZ-CG 3.57Å; F635-Y656 HydrophobicContact CZ-CG 3.57Å; M641-Y656 CarbonylContact O-C 3.55Å; M641-Y656 WeakPolarHBondContact O-CA 3.25Å; Q642-Y656 HydrophobicContact CB-CD1 3.8Å; Q642-Y656 HydrophobicContact CB-CE1 3.91Å; T654-Y656 HydrophobicContact CG2-CD1 4.34Å; T654-Y656 HydrophobicContact CG2-CE1 3.87Å; T654-Y656 HydrophobicContact CG2-CE2 4.06Å; Y656-G689 PolarHBondContact OH-O 3.13Å; Y656-V690 HydrophobicContact CE2-CG2 4.29Å |
| 657 | I | 94.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 119.4 | -175.7 | -56.4 | 174.9 | 0 | 0 | 0 | 108.3 | L577 H578 F598 V640 M641 V643 M655 | L577-I657 HydrophobicContact CB-CG2 3.66Å; L577-I657 HydrophobicContact CD1-CG2 3.63Å; L577-I657 HydrophobicContact CG-CG2 4.17Å; H578-I657 CarbonylContact O-C 3.5Å; H578-I657 WeakPolarHBondContact O-CA 3.46Å; F598-I657 HydrophobicContact CE1-CD1 3.82Å; F598-I657 HydrophobicContact CZ-CD1 3.96Å; F598-I657 HydrophobicContact CZ-CG1 4.32Å; V640-I657 WeakPolarHBondContact CA-O 3.4Å; M641-I657 HydrophobicContact CE-CB 3.74Å; M641-I657 HydrophobicContact CE-CD1 3.88Å; M641-I657 HydrophobicContact CE-CG1 4.38Å; M641-I657 HydrophobicContact CE-CG2 3.62Å; M641-I657 HydrophobicContact CG-CB 3.96Å; M641-I657 WeakPolarHBondContact CG-O 3.19Å; M641-I657 PolarHBondContact N-O 2.95Å; M641-I657 PolarHBondContact O-N 3.1Å; V643-I657 HydrophobicContact CG2-CD1 3.96Å; M655-I657 HydrophobicContact CG-CD1 4.36Å; M655-I657 HydrophobicContact CG-CG1 4.02Å; M655-I657 HydrophobicContact SD-CD1 3.98Å; M655-I657 HydrophobicContact SD-CG1 4.14Å |
| 658 | Q | 94.4 | Very high | 86.4 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 129.5 | 175.4 | 179.3 | -174 | 38.2 | 0 | 0 | 109.9 | H578 F593 V640 | H578-Q658 HydrophobicContact CB-CB 4.09Å; H578-Q658 PolarHBondContact N-O 2.84Å; H578-Q658 VanDerWaalsContact N-O 3.1Å; H578-Q658 PolarHBondContact O-N 3.01Å; F593-Q658 HydrophobicContact CD1-CB 3.81Å; F593-Q658 HydrophobicContact CE1-CB 3.9Å; F593-Q658 HydrophobicContact CG-CB 4.5Å; V640-Q658 HydrophobicContact CG2-CB 4.13Å; V640-Q658 HydrophobicContact CG2-CG 4.21Å |
| 659 | C | 91.6 | Very high | 86.6 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | trans | -100.2 | 161.8 | 175.2 | -62.6 | 0 | 0 | 0 | 0 | 110.8 | L577 N639 E664 L665 | L577-C659 HydrophobicContact CD2-CB 4.49Å; N639-C659 HydrophobicContact CB-CB 4.44Å; N639-C659 PolarHBondContact O-N 2.83Å; C659-E664 HydrophobicContact CB-CB 4.18Å; C659-E664 HydrophobicContact CB-CG 4.06Å; C659-L665 HydrophobicContact CB-CB 4Å | ||
| 660 | K | 86.3 | Confident | 86.5 | Confident | 155 Ų | 155 | 38.4 Ų | 38.4 | 67% | 0.674 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -67.2 | -36.8 | -179.7 | -177.1 | -176.5 | 174.3 | -170.8 | 0 | 112.5 | E664 | K660-E664 WeakPolarHBondContact CB-OE2 3.19Å; K660-E664 PolarHBondContact N-OE2 2.98Å |
| 661 | N | 79.8 | Confident | 86.5 | Confident | 48 Ų | 48 | 37.1 Ų | 37.1 | 26% | 0.257 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -155.3 | 173.1 | -178.5 | 60.1 | 51 | 0 | 0 | 0 | 110.8 | N663 E664 L665 | N661-N663 VanDerWaalsContact C-N 3.27Å; N661-N663 PolarHBondContact O-N 3.04Å; N661-N663 WeakPolarHBondContact OD1-CB 3.38Å; N661-N663 PolarHBondContact OD1-N 3.02Å; N661-N663 VanDerWaalsContact OD1-N 3.12Å; N661-E664 PolarHBondContact O-N 3.05Å; N661-E664 PolarHBondContact OD1-N 3.34Å; N661-L665 PolarHBondContact O-N 2.78Å |
| 662 | V | 78.4 | Confident | 86.6 | Confident | 23 Ų | 23 | 30.5 Ų | 30.5 | 14% | 0.139 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.6 | -30.6 | -177.4 | 68.3 | 0 | 0 | 0 | 0 | 113.4 | V38 R41 N639 L665 N666 | V38-V662 HydrophobicContact CG1-CG2 3.79Å; R41-V662 HydrophobicContact CB-CG1 3.63Å; R41-V662 HydrophobicContact CG-CG1 4.28Å; N639-V662 VanDerWaalsContact OD1-CA 3.27Å; N639-V662 WeakPolarHBondContact OD1-CA 3.43Å; N639-V662 PolarHBondContact OD1-N 2.84Å; N639-V662 VanDerWaalsContact OD1-N 3.1Å; V662-L665 WeakPolarHBondContact O-CB 3.43Å; V662-N666 WeakPolarHBondContact O-CB 3.42Å; V662-N666 PolarHBondContact O-N 2.96Å; V662-N666 PolarHBondContact O-ND2 2.93Å; V662-N666 PolarHBondContact O-OD1 3.25Å |
| 663 | N | 77.3 | Confident | 86.4 | Confident | 30 Ų | 30 | 27.1 Ų | 27.1 | 16% | 0.16 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.9 | -46.4 | 178.1 | -74.2 | -19.7 | 0 | 0 | 0 | 111.4 | R41 N661 L665 N666 Q667 | R41-N663 WeakPolarHBondContact CB-OD1 3.24Å; R41-N663 PolarHBondContact N-OD1 2.92Å; R41-N663 PolarHBondContact O-ND2 3.08Å; R41-N663 PolarHBondContact O-OD1 2.8Å; R41-N663 VanDerWaalsContact O-OD1 3.08Å; N661-N663 VanDerWaalsContact C-N 3.27Å; N661-N663 PolarHBondContact O-N 3.04Å; N661-N663 WeakPolarHBondContact OD1-CB 3.38Å; N661-N663 PolarHBondContact OD1-N 3.02Å; N661-N663 VanDerWaalsContact OD1-N 3.12Å; N663-L665 VanDerWaalsContact C-N 3.29Å; N663-L665 PolarHBondContact O-N 2.82Å; N663-N666 PolarHBondContact O-N 2.83Å; N663-Q667 WeakPolarHBondContact O-CB 3.42Å; N663-Q667 VanDerWaalsContact O-CG 3.22Å; N663-Q667 WeakPolarHBondContact O-CG 3.37Å; N663-Q667 PolarHBondContact O-N 3.13Å |
| 664 | E | 83.6 | Confident | 85.9 | Confident | 42 Ų | 42 | 25.3 Ų | 25.3 | 20% | 0.196 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 174.8 | -177.9 | 175.6 | -133.3 | 0 | 0 | 110.4 | L577 C659 K660 N661 N666 Q667 W668 | L577-E664 HydrophobicContact CD2-CG 4.27Å; C659-E664 HydrophobicContact CB-CB 4.18Å; C659-E664 HydrophobicContact CB-CG 4.06Å; K660-E664 WeakPolarHBondContact CB-OE2 3.19Å; K660-E664 PolarHBondContact N-OE2 2.98Å; N661-E664 PolarHBondContact O-N 3.05Å; N661-E664 PolarHBondContact OD1-N 3.34Å; E664-N666 PolarHBondContact O-N 2.79Å; E664-Q667 PolarHBondContact O-N 3.41Å; E664-W668 VanDerWaalsContact O-CD1 3.23Å; E664-W668 PolarHBondContact O-N 2.78Å |
| 665 | L | 86.5 | Confident | 85.2 | Confident | 7 Ų | 7 | 25.5 Ų | 25.5 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53.6 | -53.3 | 172.9 | 175 | 68.5 | 0 | 0 | 0 | 111.3 | R629 N639 M641 C659 N661 V662 N663 Q667 W668 L669 | R629-L665 HydrophobicContact CG-CD2 4.31Å; N639-L665 HydrophobicContact CB-CB 4.45Å; N639-L665 HydrophobicContact CB-CD2 4.46Å; M641-L665 HydrophobicContact CB-CD1 3.56Å; M641-L665 HydrophobicContact CG-CD1 3.87Å; M641-L665 HydrophobicContact SD-CD1 4.34Å; C659-L665 HydrophobicContact CB-CB 4Å; N661-L665 PolarHBondContact O-N 2.78Å; V662-L665 WeakPolarHBondContact O-CB 3.43Å; N663-L665 VanDerWaalsContact C-N 3.29Å; N663-L665 PolarHBondContact O-N 2.82Å; L665-Q667 PolarHBondContact O-N 2.84Å; L665-W668 PolarHBondContact O-N 2.85Å; L665-L669 HydrophobicContact CD1-CD1 4.02Å; L665-L669 HydrophobicContact CD1-CG 4.15Å; L665-L669 HydrophobicContact CD2-CD1 4.4Å; L665-L669 HydrophobicContact CG-CD1 3.82Å; L665-L669 HydrophobicContact CG-CG 4.34Å; L665-L669 WeakPolarHBondContact O-CB 3.13Å; L665-L669 VanDerWaalsContact O-CG 3.31Å; L665-L669 WeakPolarHBondContact O-CG 3.24Å; L665-L669 PolarHBondContact O-N 2.8Å |
| 666 | N | 82.3 | Confident | 84.7 | Confident | 11 Ų | 11 | 25 Ų | 25 | 6% | 0.059 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.5 | -35.7 | -175.8 | -69.6 | -8.7 | 0 | 0 | 0 | 113.1 | V38 V39 R629 V662 N663 E664 S670 L718 | V38-N666 PolarHBondContact O-ND2 3Å; V39-N666 PolarHBondContact O-ND2 2.89Å; R629-N666 VanDerWaalsContact NH2-CG 3.34Å; R629-N666 PolarHBondContact NH2-ND2 2.76Å; R629-N666 PolarHBondContact NH2-OD1 3.12Å; V662-N666 WeakPolarHBondContact O-CB 3.42Å; V662-N666 PolarHBondContact O-N 2.96Å; V662-N666 PolarHBondContact O-ND2 2.93Å; V662-N666 PolarHBondContact O-OD1 3.25Å; N663-N666 PolarHBondContact O-N 2.83Å; E664-N666 PolarHBondContact O-N 2.79Å; N666-S670 WeakPolarHBondContact O-CB 3.35Å; N666-S670 PolarHBondContact O-N 2.85Å; N666-L718 HydrophobicContact CB-CD1 3.67Å |
| 667 | Q | 80.9 | Confident | 83.6 | Confident | 72 Ų | 72 | 28.5 Ų | 28.5 | 34% | 0.336 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 173.3 | -72.3 | 173.1 | 8.7 | 0 | 0 | 111.5 | N663 E664 L665 A671 | N663-Q667 WeakPolarHBondContact O-CB 3.42Å; N663-Q667 VanDerWaalsContact O-CG 3.22Å; N663-Q667 WeakPolarHBondContact O-CG 3.37Å; N663-Q667 PolarHBondContact O-N 3.13Å; E664-Q667 PolarHBondContact O-N 3.41Å; L665-Q667 PolarHBondContact O-N 2.84Å; Q667-A671 WeakPolarHBondContact O-CB 3.42Å; Q667-A671 PolarHBondContact O-N 3.37Å |
| 668 | W | 87.6 | Confident | 82.4 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.1 | -42.6 | 177.2 | -83 | 104.2 | 0 | 0 | 0 | 112.6 | K573 L577 F598 L600 L605 M641 E664 L665 S670 A671 I672 | K573-W668 HydrophobicContact CB-CH2 4.22Å; K573-W668 HydrophobicContact CB-CZ3 4.3Å; K573-W668 HydrophobicContact CD-CD2 3.71Å; K573-W668 HydrophobicContact CD-CE3 4.06Å; K573-W668 HydrophobicContact CD-CG 4.09Å; K573-W668 HydrophobicContact CD-CH2 4.45Å; K573-W668 HydrophobicContact CD-CZ2 4.12Å; K573-W668 HydrophobicContact CD-CZ3 4.42Å; K573-W668 HydrophobicContact CG-CD2 4.35Å; K573-W668 HydrophobicContact CG-CH2 4.06Å; K573-W668 HydrophobicContact CG-CZ2 3.88Å; K573-W668 HydrophobicContact CG-CZ3 4.38Å; L577-W668 HydrophobicContact CD1-CD2 3.8Å; L577-W668 HydrophobicContact CD1-CE3 4.29Å; L577-W668 HydrophobicContact CD1-CG 4.13Å; L577-W668 HydrophobicContact CD1-CH2 4.45Å; L577-W668 HydrophobicContact CD1-CZ2 3.98Å; L577-W668 HydrophobicContact CG-CZ2 4.45Å; F598-W668 HydrophobicContact CB-CH2 3.71Å; F598-W668 HydrophobicContact CB-CZ2 4.25Å; F598-W668 HydrophobicContact CB-CZ3 4.3Å; L600-W668 HydrophobicContact CB-CZ3 3.98Å; L605-W668 HydrophobicContact CD1-CZ3 4.35Å; M641-W668 HydrophobicContact CE-CB 3.73Å; M641-W668 HydrophobicContact CE-CG 4.3Å; M641-W668 HydrophobicContact SD-CB 4.06Å; E664-W668 VanDerWaalsContact O-CD1 3.23Å; E664-W668 PolarHBondContact O-N 2.78Å; L665-W668 PolarHBondContact O-N 2.85Å; W668-S670 VanDerWaalsContact C-N 3.35Å; W668-S670 PolarHBondContact O-N 2.81Å; W668-A671 PolarHBondContact O-N 3.1Å; W668-I672 HydrophobicContact CE3-CD1 4.26Å; W668-I672 HydrophobicContact CE3-CG1 4.37Å; W668-I672 VanDerWaalsContact O-CG1 3.24Å; W668-I672 WeakPolarHBondContact O-CG1 3.37Å; W668-I672 PolarHBondContact O-N 3.1Å |
| 669 | L | 87.3 | Confident | 81.7 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.9 | -52 | 172.3 | -75.3 | 171.9 | 0 | 0 | 0 | 110.4 | V627 R629 M641 L665 R673 | V627-L669 HydrophobicContact CG1-CD2 3.73Å; R629-L669 HydrophobicContact CG-CD1 3.56Å; M641-L669 HydrophobicContact CB-CD2 3.66Å; M641-L669 HydrophobicContact CB-CG 4.31Å; M641-L669 HydrophobicContact CG-CD2 4.47Å; M641-L669 HydrophobicContact SD-CD2 4.02Å; M641-L669 HydrophobicContact SD-CG 4.23Å; L665-L669 HydrophobicContact CD1-CD1 4.02Å; L665-L669 HydrophobicContact CD1-CG 4.15Å; L665-L669 HydrophobicContact CD2-CD1 4.4Å; L665-L669 HydrophobicContact CG-CD1 3.82Å; L665-L669 HydrophobicContact CG-CG 4.34Å; L665-L669 WeakPolarHBondContact O-CB 3.13Å; L665-L669 VanDerWaalsContact O-CG 3.31Å; L665-L669 WeakPolarHBondContact O-CG 3.24Å; L665-L669 PolarHBondContact O-N 2.8Å; L669-R673 VanDerWaalsContact O-CB 3.25Å; L669-R673 WeakPolarHBondContact O-CB 3.34Å; L669-R673 WeakPolarHBondContact O-CG 3.18Å; L669-R673 PolarHBondContact O-N 3.03Å |
| 670 | S | 82.4 | Confident | 81.2 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -49.5 | 179.8 | -172.7 | 0 | 0 | 0 | 0 | 111.8 | N666 W668 I672 R673 K674 L718 | N666-S670 WeakPolarHBondContact O-CB 3.35Å; N666-S670 PolarHBondContact O-N 2.85Å; W668-S670 VanDerWaalsContact C-N 3.35Å; W668-S670 PolarHBondContact O-N 2.81Å; S670-I672 PolarHBondContact O-N 2.81Å; S670-R673 PolarHBondContact O-N 3.26Å; S670-K674 VanDerWaalsContact O-CG 3.3Å; S670-K674 WeakPolarHBondContact O-CG 3.45Å; S670-K674 PolarHBondContact O-N 2.81Å; S670-K674 VanDerWaalsContact OG-CE 3.27Å; S670-K674 WeakPolarHBondContact OG-CE 3.27Å; S670-K674 PolarHBondContact OG-NZ 2.76Å; S670-L718 PolarHBondContact OG-N 2.88Å; S670-L718 PolarHBondContact OG-O 2.8Å |
| 671 | A | 81.8 | Confident | 81.1 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 7% | 0.074 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K573 L600 Q667 W668 V675 | K573-A671 HydrophobicContact CB-CB 4.47Å; K573-A671 HydrophobicContact CD-CB 4.13Å; L600-A671 HydrophobicContact CD2-CB 3.59Å; Q667-A671 WeakPolarHBondContact O-CB 3.42Å; Q667-A671 PolarHBondContact O-N 3.37Å; W668-A671 PolarHBondContact O-N 3.1Å; A671-V675 PolarHBondContact O-N 3.47Å |
| 672 | I | 87.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.6 | -43.5 | 179 | -54.4 | 165.4 | 0 | 0 | 0 | 110.3 | L600 L605 V624 V627 M641 V643 W668 S670 K674 V675 S676 | L600-I672 HydrophobicContact CD1-CG1 4.17Å; L600-I672 HydrophobicContact CD2-CG1 4.01Å; L605-I672 HydrophobicContact CD2-CD1 4.3Å; V624-I672 HydrophobicContact CG1-CG2 4.44Å; V627-I672 HydrophobicContact CG1-CB 4.19Å; V627-I672 HydrophobicContact CG1-CD1 4.36Å; V627-I672 HydrophobicContact CG1-CG2 4.38Å; V627-I672 HydrophobicContact CG2-CB 4.24Å; V627-I672 HydrophobicContact CG2-CG2 3.58Å; M641-I672 HydrophobicContact CE-CD1 4.19Å; M641-I672 HydrophobicContact SD-CD1 4.47Å; V643-I672 HydrophobicContact CG2-CD1 4.33Å; W668-I672 HydrophobicContact CE3-CD1 4.26Å; W668-I672 HydrophobicContact CE3-CG1 4.37Å; W668-I672 VanDerWaalsContact O-CG1 3.24Å; W668-I672 WeakPolarHBondContact O-CG1 3.37Å; W668-I672 PolarHBondContact O-N 3.1Å; S670-I672 PolarHBondContact O-N 2.81Å; I672-K674 VanDerWaalsContact C-N 3.3Å; I672-K674 PolarHBondContact O-N 3.01Å; I672-V675 VanDerWaalsContact O-CG2 3.22Å; I672-V675 WeakPolarHBondContact O-CG2 3.28Å; I672-V675 PolarHBondContact O-N 3.27Å; I672-S676 WeakPolarHBondContact O-CB 3.43Å; I672-S676 PolarHBondContact O-N 2.94Å; I672-S676 PolarHBondContact O-OG 3.26Å; I672-S676 VanDerWaalsContact O-OG 3.05Å |
| 673 | R | 84.8 | Confident | 81.8 | Confident | 9 Ų | 9 | 45.2 Ų | 45.2 | 3% | 0.034 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.1 | -42.3 | 177.2 | -77.4 | 173.7 | 178.9 | 172.1 | -2 | 111.9 | V627 E628 L669 S670 S676 I677 H713 V716 T717 | V627-R673 HydrophobicContact CB-CG 4.2Å; V627-R673 PolarHBondContact O-NE 3.02Å; V627-R673 PolarHBondContact O-NH2 2.78Å; E628-R673 IonicContact OE1-NH2 3.43Å; E628-R673 IonicContact OE2-CZ 3.47Å; E628-R673 IonicContact OE2-NH2 2.76Å; E628-R673 PolarHBondContact OE2-NH2 3.3Å; L669-R673 VanDerWaalsContact O-CB 3.25Å; L669-R673 WeakPolarHBondContact O-CB 3.34Å; L669-R673 WeakPolarHBondContact O-CG 3.18Å; L669-R673 PolarHBondContact O-N 3.03Å; S670-R673 PolarHBondContact O-N 3.26Å; R673-S676 CarbonylContact O-C 3.48Å; R673-S676 PolarHBondContact O-N 3.35Å; R673-S676 PolarHBondContact O-OG 2.73Å; R673-I677 WeakPolarHBondContact O-CA 3.33Å; R673-I677 WeakPolarHBondContact O-CB 3.24Å; R673-I677 PolarHBondContact O-N 3.11Å; R673-H713 PolarHBondContact NH1-O 2.8Å; R673-H713 VanDerWaalsContact NH1-O 3.12Å; R673-V716 PolarHBondContact NH1-O 2.65Å; R673-T717 HydrophobicContact CB-CG2 3.98Å |
| 674 | K | 78.3 | Confident | 82.3 | Confident | 22 Ų | 22 | 48.6 Ų | 48.6 | 10% | 0.096 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61 | -47.7 | 177.3 | -75.2 | 174.8 | -167.8 | 164.7 | 0 | 112.8 | S670 I672 S676 I677 T717 L718 D723 | S670-K674 VanDerWaalsContact O-CG 3.3Å; S670-K674 WeakPolarHBondContact O-CG 3.45Å; S670-K674 PolarHBondContact O-N 2.81Å; S670-K674 VanDerWaalsContact OG-CE 3.27Å; S670-K674 WeakPolarHBondContact OG-CE 3.27Å; S670-K674 PolarHBondContact OG-NZ 2.76Å; I672-K674 VanDerWaalsContact C-N 3.3Å; I672-K674 PolarHBondContact O-N 3.01Å; K674-S676 VanDerWaalsContact C-N 3.26Å; K674-S676 PolarHBondContact O-N 3.47Å; K674-I677 VanDerWaalsContact O-CG2 3.27Å; K674-I677 WeakPolarHBondContact O-CG2 3.23Å; K674-I677 PolarHBondContact O-N 2.7Å; K674-T717 HydrophobicContact CG-CG2 4.2Å; K674-L718 WeakPolarHBondContact CE-O 3.38Å; K674-L718 PolarHBondContact NZ-O 3.46Å; K674-D723 VanDerWaalsContact CE-OD1 3.24Å; K674-D723 WeakPolarHBondContact CE-OD1 3.47Å; K674-D723 IonicContact NZ-OD1 3.89Å; K674-D723 PolarHBondContact NZ-OD1 3.39Å; K674-D723 IonicContact NZ-OD2 3.9Å |
| 675 | V | 77.6 | Confident | 82.6 | Confident | 35 Ų | 35 | 48.3 Ų | 48.3 | 21% | 0.212 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.6 | -23.9 | -179.9 | -59 | 0 | 0 | 0 | 0 | 112.4 | V572 L600 I621 A671 I672 | V572-V675 HydrophobicContact CG2-CG1 4.34Å; L600-V675 HydrophobicContact CD1-CG2 3.88Å; L600-V675 HydrophobicContact CD2-CG2 4.46Å; L600-V675 HydrophobicContact CG-CG2 4.43Å; I621-V675 HydrophobicContact CD1-CG2 3.71Å; I621-V675 HydrophobicContact CG1-CG2 4Å; I621-V675 HydrophobicContact CG2-CB 4.24Å; I621-V675 HydrophobicContact CG2-CG2 3.9Å; I621-V675 VanDerWaalsContact CG2-O 3.26Å; I621-V675 WeakPolarHBondContact CG2-O 3.37Å; A671-V675 PolarHBondContact O-N 3.47Å; I672-V675 VanDerWaalsContact O-CG2 3.22Å; I672-V675 WeakPolarHBondContact O-CG2 3.28Å; I672-V675 PolarHBondContact O-N 3.27Å |
| 676 | S | 82.3 | Confident | 82.8 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -95.9 | 0.6 | 177.7 | 69.8 | 0 | 0 | 0 | 0 | 114.6 | I672 R673 K674 Y678 N679 | I672-S676 WeakPolarHBondContact O-CB 3.43Å; I672-S676 PolarHBondContact O-N 2.94Å; I672-S676 PolarHBondContact O-OG 3.26Å; I672-S676 VanDerWaalsContact O-OG 3.05Å; R673-S676 CarbonylContact O-C 3.48Å; R673-S676 PolarHBondContact O-N 3.35Å; R673-S676 PolarHBondContact O-OG 2.73Å; K674-S676 VanDerWaalsContact C-N 3.26Å; K674-S676 PolarHBondContact O-N 3.47Å; S676-Y678 VanDerWaalsContact C-N 3.28Å; S676-Y678 PolarHBondContact O-N 2.74Å; S676-N679 WeakPolarHBondContact O-CB 3.23Å; S676-N679 PolarHBondContact O-N 3.29Å |
| 677 | I | 71.4 | Confident | 83.3 | Confident | 79 Ų | 79 | 48.6 Ų | 48.6 | 41% | 0.405 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -33.7 | -167.2 | -161.3 | 168.1 | 0 | 0 | 0 | 113.1 | R673 K674 N679 | R673-I677 WeakPolarHBondContact O-CA 3.33Å; R673-I677 WeakPolarHBondContact O-CB 3.24Å; R673-I677 PolarHBondContact O-N 3.11Å; K674-I677 VanDerWaalsContact O-CG2 3.27Å; K674-I677 WeakPolarHBondContact O-CG2 3.23Å; K674-I677 PolarHBondContact O-N 2.7Å; I677-N679 VanDerWaalsContact C-N 3.28Å; I677-N679 PolarHBondContact O-N 3.21Å |
| 678 | Y | 69.2 | Low | 83.7 | Confident | 173 Ų | 173 | 45.6 Ų | 45.6 | 68% | 0.678 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 9.3 | 178.5 | -57.4 | -68.3 | 0 | 0 | 0 | 113.3 | S676 E680 | S676-Y678 VanDerWaalsContact C-N 3.28Å; S676-Y678 PolarHBondContact O-N 2.74Å; Y678-E680 PolarHBondContact O-N 3.22Å |
| 679 | N | 80.4 | Confident | 83.8 | Confident | 27 Ų | 27 | 45.5 Ų | 45.5 | 14% | 0.144 | 22% | 0.222 | C | C | . | . | trans | -72.3 | 120.2 | 175.6 | -166.6 | -1.7 | 0 | 0 | 0 | 109.9 | Q622 V624 S676 I677 R681 M682 | Q622-N679 PolarHBondContact O-ND2 3.28Å; V624-N679 PolarHBondContact O-ND2 2.99Å; S676-N679 WeakPolarHBondContact O-CB 3.23Å; S676-N679 PolarHBondContact O-N 3.29Å; I677-N679 VanDerWaalsContact C-N 3.28Å; I677-N679 PolarHBondContact O-N 3.21Å; N679-R681 PolarHBondContact O-N 2.46Å; N679-R681 PolarHBondContact OD1-N 3.03Å; N679-M682 HydrophobicContact CB-CG 4.19Å; N679-M682 HydrophobicContact CB-SD 4.37Å; N679-M682 VanDerWaalsContact O-CG 3.22Å; N679-M682 WeakPolarHBondContact O-CG 3.04Å | ||
| 680 | E | 79.4 | Confident | 83.9 | Confident | 196 Ų | 196 | 46 Ų | 46 | 92% | 0.916 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -14.5 | 177.6 | -62.4 | 178.7 | 172.3 | 0 | 0 | 112.9 | Y678 | Y678-E680 PolarHBondContact O-N 3.22Š|
| 681 | R | 83.9 | Confident | 84.2 | Confident | 137 Ų | 137 | 48.2 Ų | 48.2 | 52% | 0.517 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 19.8 | -176.5 | -55.4 | -176.5 | -173.3 | -173.7 | 2.2 | 113.9 | C625 N679 L683 | C625-R681 WeakPolarHBondContact CB-O 3.41Å; C625-R681 PolarHBondContact SG-O 3.48Å; C625-R681 VanDerWaalsContact SG-O 3.4Å; N679-R681 PolarHBondContact O-N 2.46Å; N679-R681 PolarHBondContact OD1-N 3.03Å; R681-L683 PolarHBondContact O-N 3.06Å |
| 682 | M | 86.6 | Confident | 84.2 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 22% | 0.217 | 25% | 0.252 | C | S | . | . | trans | -67.4 | 131 | 178.6 | -68.9 | -64.9 | -70.1 | 0 | 0 | 110.4 | C625 N679 | C625-M682 CarbonylContact O-C 3.59Å; C625-M682 VanDerWaalsContact O-CA 3.3Å; C625-M682 WeakPolarHBondContact O-CA 3.22Å; C625-M682 VanDerWaalsContact O-SD 3.41Å; N679-M682 HydrophobicContact CB-CG 4.19Å; N679-M682 HydrophobicContact CB-SD 4.37Å; N679-M682 VanDerWaalsContact O-CG 3.22Å; N679-M682 WeakPolarHBondContact O-CG 3.04Å | ||
| 683 | L | 88.4 | Confident | 84 | Confident | 45 Ų | 45 | 58.6 Ų | 58.6 | 24% | 0.236 | 29% | 0.289 | C | S | . | . | trans | -73.2 | 142.2 | 176.4 | -66.5 | 169.9 | 0 | 0 | 0 | 109.4 | C625 A626 I644 L652 R681 T712 | C625-L683 HydrophobicContact CB-CD1 4.15Å; C625-L683 HydrophobicContact CB-CG 3.97Å; C625-L683 PolarHBondContact O-N 2.94Å; A626-L683 HydrophobicContact CB-CD1 4.48Å; I644-L683 HydrophobicContact CD1-CD1 4.39Å; I644-L683 HydrophobicContact CG2-CD1 3.89Å; L652-L683 HydrophobicContact CD1-CD1 4.09Å; L652-L683 HydrophobicContact CD2-CD1 4.38Å; R681-L683 PolarHBondContact O-N 3.06Å; L683-T712 WeakPolarHBondContact O-CG2 3.18Å; L683-T712 PolarHBondContact O-OG1 3.11Å | ||
| 684 | P | 86.3 | Confident | 84.1 | Confident | 102 Ų | 102 | 60.4 Ų | 60.4 | 66% | 0.662 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -80.2 | -20.4 | 175.6 | 31.6 | -35.2 | 0 | 0 | 0 | 113 | T712 | P684-T712 PolarHBondContact O-N 2.86Å; P684-T712 PolarHBondContact O-OG1 2.86Å |
| 685 | S | 89.4 | Confident | 84.7 | Confident | 36 Ų | 36 | 64 Ų | 64 | 25% | 0.252 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 156.3 | -177.7 | 61.2 | 0 | 0 | 0 | 0 | 111.5 | G708 S710 | S685-G708 WeakPolarHBondContact CB-O 3.33Å; S685-G708 PolarHBondContact OG-N 3.39Å; S685-S710 CarbonylContact C-O 3.5Å; S685-S710 WeakPolarHBondContact CA-O 3.14Å; S685-S710 VanDerWaalsContact CB-O 3.25Å; S685-S710 WeakPolarHBondContact CB-O 3.49Å |
| 686 | F | 91.6 | Very high | 85.3 | Confident | 10 Ų | 10 | 63.6 Ų | 63.6 | 4% | 0.044 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 164.5 | 179.2 | 74.2 | -80.2 | 0 | 0 | 0 | 111.5 | E628 Q642 I644 P688 G708 C709 S710 R711 T712 | E628-F686 HydrophobicContact CB-CD1 4.18Å; E628-F686 HydrophobicContact CB-CD2 3.84Å; E628-F686 HydrophobicContact CB-CE1 3.75Å; E628-F686 HydrophobicContact CB-CE2 3.41Å; E628-F686 VanDerWaalsContact CB-CE2 3.41Å; E628-F686 HydrophobicContact CB-CG 4.2Å; E628-F686 HydrophobicContact CB-CZ 3.37Å; E628-F686 HydrophobicContact CG-CD1 3.61Å; E628-F686 HydrophobicContact CG-CD2 4.07Å; E628-F686 HydrophobicContact CG-CE1 3.46Å; E628-F686 VanDerWaalsContact CG-CE1 3.46Å; E628-F686 HydrophobicContact CG-CE2 3.98Å; E628-F686 HydrophobicContact CG-CG 3.9Å; E628-F686 HydrophobicContact CG-CZ 3.69Å; Q642-F686 VanDerWaalsContact NE2-CE2 3.33Å; I644-F686 HydrophobicContact CD1-CB 3.9Å; F686-P688 HydrophobicContact CE2-CB 3.78Å; F686-P688 HydrophobicContact CZ-CB 4.41Å; F686-G708 CarbonylContact O-C 3.43Å; F686-G708 VanDerWaalsContact O-CA 3.24Å; F686-G708 WeakPolarHBondContact O-CA 3.22Å; F686-C709 PolarHBondContact O-N 3.39Å; F686-S710 PolarHBondContact N-O 2.91Å; F686-S710 PolarHBondContact O-N 3.01Å; F686-R711 WeakPolarHBondContact CE1-O 3.45Å; F686-T712 HydrophobicContact CB-CG2 4.46Å; F686-T712 HydrophobicContact CD1-CG2 3.72Å; F686-T712 HydrophobicContact CE1-CG2 4.47Å; F686-T712 HydrophobicContact CG-CG2 4.45Å |
| 687 | H | 92.2 | Very high | 85.7 | Confident | 14 Ų | 14 | 64.8 Ų | 64.8 | 7% | 0.065 | 33% | 0.329 | C | S | . | . | trans | -93.1 | 117.2 | 170.7 | -75.3 | -66 | 0 | 0 | 0 | 109.5 | Q642 G689 W696 C699 V706 S707 | Q642-H687 PolarHBondContact NE2-O 3.43Å; Q642-H687 PolarHBondContact OE1-O 3.48Å; H687-G689 PolarHBondContact O-N 2.96Å; H687-W696 HydrophobicContact CB-CD2 4.07Å; H687-W696 HydrophobicContact CB-CE3 3.62Å; H687-W696 HydrophobicContact CB-CH2 3.97Å; H687-W696 HydrophobicContact CB-CZ2 4.39Å; H687-W696 HydrophobicContact CB-CZ3 3.56Å; H687-W696 AromaticContact CD2-CD2 3.94Å; H687-W696 AromaticContact CD2-CE2 3.53Å; H687-W696 AromaticContact CD2-CH2 3.93Å; H687-W696 AromaticContact CD2-CZ2 3.54Å; H687-W696 AromaticContact CD2-NE1 3.93Å; H687-W696 AromaticContact CG-CD2 3.74Å; H687-W696 AromaticContact CG-CE2 3.84Å; H687-W696 AromaticContact CG-CE3 3.84Å; H687-W696 AromaticContact NE2-CE2 3.87Å; H687-W696 AromaticContact NE2-NE1 3.77Å; H687-C699 VanDerWaalsContact CE1-SG 3.57Å; H687-V706 WeakPolarHBondContact NE2-CG1 3.19Å; H687-V706 PolarHBondContact NE2-O 3.21Å; H687-S707 PolarHBondContact CE1-O 3.06Å; H687-S707 PolarHBondContact NE2-O 3.45Å | ||
| 688 | P | 90.2 | Very high | 86.6 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -72.9 | -12.1 | 175.8 | 28.1 | -30.8 | 0 | 0 | 0 | 112.8 | F177 V630 D631 F686 C698 C709 | F177-P688 HydrophobicContact CD2-CG 4.35Å; F177-P688 HydrophobicContact CE1-CG 3.85Å; F177-P688 HydrophobicContact CE2-CG 3.63Å; F177-P688 HydrophobicContact CZ-CB 4.36Å; F177-P688 HydrophobicContact CZ-CG 3.36Å; V630-P688 WeakPolarHBondContact CA-O 3.35Å; V630-P688 WeakPolarHBondContact CG1-O 3.3Å; D631-P688 HydrophobicContact CB-CB 4.19Å; D631-P688 PolarHBondContact N-O 3.4Å; F686-P688 HydrophobicContact CE2-CB 3.78Å; F686-P688 HydrophobicContact CZ-CB 4.41Å; P688-C698 HydrophobicContact CG-CB 3.9Å; P688-C709 WeakPolarHBondContact CD-SG 3.38Å |
| 689 | G | 89.3 | Confident | 87.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -94.6 | -169.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y656 H687 T697 C698 | Y656-G689 PolarHBondContact OH-O 3.13Å; H687-G689 PolarHBondContact O-N 2.96Å; G689-T697 VanDerWaalsContact CA-OG1 3.28Å; G689-T697 WeakPolarHBondContact CA-OG1 3.32Å; G689-C698 PolarHBondContact N-SG 3.25Å |
| 690 | V | 89.7 | Confident | 88.2 | Confident | 14 Ų | 14 | 54.5 Ų | 54.5 | 9% | 0.085 | 29% | 0.287 | C | S | . | . | trans | -118.4 | 146 | 173.1 | 63.7 | 0 | 0 | 0 | 0 | 109.7 | F591 A634 F635 Y656 R692 T697 | F591-V690 HydrophobicContact CZ-CG1 4.32Å; A634-V690 HydrophobicContact CB-CG1 4.25Å; F635-V690 HydrophobicContact CZ-CB 4.41Å; Y656-V690 HydrophobicContact CE2-CG2 4.29Å; V690-R692 PolarHBondContact O-N 3.18Å; V690-T697 HydrophobicContact CG1-CG2 3.84Å; V690-T697 PolarHBondContact N-OG1 2.85Å; V690-T697 WeakPolarHBondContact O-CG2 3.33Å; V690-T697 PolarHBondContact O-N 3.26Å; V690-T697 PolarHBondContact O-OG1 2.84Å | ||
| 691 | H | 87.8 | Confident | 88.7 | Confident | 51 Ų | 51 | 48.5 Ų | 48.5 | 24% | 0.236 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 111.6 | 173.1 | -167.7 | -85.9 | 0 | 0 | 0 | 109.8 | K695 W696 A702 | H691-K695 CarbonylContact C-O 3.6Å; H691-K695 WeakPolarHBondContact CA-O 3.28Å; H691-W696 HydrophobicContact CB-CD2 3.98Å; H691-W696 HydrophobicContact CB-CE3 3.97Å; H691-W696 HydrophobicContact CB-CH2 4.2Å; H691-W696 HydrophobicContact CB-CZ2 4.19Å; H691-W696 HydrophobicContact CB-CZ3 4.09Å; H691-W696 AromaticContact CD2-CD1 3.76Å; H691-W696 AromaticContact CD2-CE2 3.87Å; H691-W696 AromaticContact CD2-CG 3.99Å; H691-W696 AromaticContact CD2-NE1 3.68Å; H691-A702 PolarHBondContact NE2-O 2.91Å |
| 692 | R | 82.9 | Confident | 89 | Confident | 115 Ų | 115 | 45.2 Ų | 45.2 | 43% | 0.434 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 145.5 | -178 | -177.9 | 179.8 | 175.2 | -172.5 | 0.8 | 110.8 | V690 G694 K695 | V690-R692 PolarHBondContact O-N 3.18Å; R692-G694 PolarHBondContact O-N 3.3Å; R692-K695 CarbonylContact C-O 3.56Å; R692-K695 PolarHBondContact N-O 3.3Å; R692-K695 PolarHBondContact O-N 3.17Å; R692-K695 VanDerWaalsContact O-N 3.16Å |
| 693 | S | 83.3 | Confident | 89.1 | Confident | 111 Ų | 111 | 47.7 Ų | 47.7 | 78% | 0.776 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 35.5 | 178.2 | -55.1 | 0 | 0 | 0 | 0 | 113 | K695 | S693-K695 VanDerWaalsContact C-N 3.34Å; S693-K695 PolarHBondContact O-N 3.24Å |
| 694 | G | 85.7 | Confident | 88.9 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 50% | 0.495 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 8.1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | R692 A702 | R692-G694 PolarHBondContact O-N 3.3Å; G694-A702 VanDerWaalsContact O-CA 3.22Å; G694-A702 WeakPolarHBondContact O-CA 3.22Å; G694-A702 WeakPolarHBondContact O-CB 3.17Å |
| 695 | K | 90.6 | Very high | 88.8 | Confident | 97 Ų | 97 | 52 Ų | 52 | 42% | 0.422 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 161.3 | 176.4 | 61.7 | 179.1 | -177.6 | 174.4 | 0 | 113.6 | H691 R692 S693 L700 Q701 | H691-K695 CarbonylContact C-O 3.6Å; H691-K695 WeakPolarHBondContact CA-O 3.28Å; R692-K695 CarbonylContact C-O 3.56Å; R692-K695 PolarHBondContact N-O 3.3Å; R692-K695 PolarHBondContact O-N 3.17Å; R692-K695 VanDerWaalsContact O-N 3.16Å; S693-K695 VanDerWaalsContact C-N 3.34Å; S693-K695 PolarHBondContact O-N 3.24Å; K695-L700 WeakPolarHBondContact CB-O 3.46Å; K695-L700 HydrophobicContact CD-CB 4.47Å; K695-L700 HydrophobicContact CD-CD2 4.35Å; K695-Q701 CarbonylContact C-O 3.52Å; K695-Q701 VanDerWaalsContact CA-O 3.22Å; K695-Q701 WeakPolarHBondContact CA-O 3.26Å |
| 696 | W | 91.4 | Very high | 88.7 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 137.6 | 168.4 | -72 | 102.9 | 0 | 0 | 0 | 111.3 | H687 H691 C698 L700 Q701 D703 R704 | H687-W696 HydrophobicContact CB-CD2 4.07Å; H687-W696 HydrophobicContact CB-CE3 3.62Å; H687-W696 HydrophobicContact CB-CH2 3.97Å; H687-W696 HydrophobicContact CB-CZ2 4.39Å; H687-W696 HydrophobicContact CB-CZ3 3.56Å; H687-W696 AromaticContact CD2-CD2 3.94Å; H687-W696 AromaticContact CD2-CE2 3.53Å; H687-W696 AromaticContact CD2-CH2 3.93Å; H687-W696 AromaticContact CD2-CZ2 3.54Å; H687-W696 AromaticContact CD2-NE1 3.93Å; H687-W696 AromaticContact CG-CD2 3.74Å; H687-W696 AromaticContact CG-CE2 3.84Å; H687-W696 AromaticContact CG-CE3 3.84Å; H687-W696 AromaticContact NE2-CE2 3.87Å; H687-W696 AromaticContact NE2-NE1 3.77Å; H691-W696 HydrophobicContact CB-CD2 3.98Å; H691-W696 HydrophobicContact CB-CE3 3.97Å; H691-W696 HydrophobicContact CB-CH2 4.2Å; H691-W696 HydrophobicContact CB-CZ2 4.19Å; H691-W696 HydrophobicContact CB-CZ3 4.09Å; H691-W696 AromaticContact CD2-CD1 3.76Å; H691-W696 AromaticContact CD2-CE2 3.87Å; H691-W696 AromaticContact CD2-CG 3.99Å; H691-W696 AromaticContact CD2-NE1 3.68Å; W696-C698 PolarHBondContact O-N 3.29Å; W696-L700 WeakPolarHBondContact O-CA 3.15Å; W696-L700 PolarHBondContact O-N 3.49Å; W696-L700 VanDerWaalsContact O-N 3.11Å; W696-Q701 PolarHBondContact N-O 2.96Å; W696-D703 PolarHBondContact NE1-O 3.41Å; W696-R704 HydrophobicContact CZ2-CG 4.18Å |
| 697 | T | 90.8 | Very high | 88.5 | Confident | 27 Ų | 27 | 56.3 Ų | 56.3 | 17% | 0.166 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -16.4 | 175.9 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | G689 V690 | G689-T697 VanDerWaalsContact CA-OG1 3.28Å; G689-T697 WeakPolarHBondContact CA-OG1 3.32Å; V690-T697 HydrophobicContact CG1-CG2 3.84Å; V690-T697 PolarHBondContact N-OG1 2.85Å; V690-T697 WeakPolarHBondContact O-CG2 3.33Å; V690-T697 PolarHBondContact O-N 3.26Å; V690-T697 PolarHBondContact O-OG1 2.84Å |
| 698 | C | 90.8 | Very high | 88.4 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.02 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -80.7 | 176.7 | 46.2 | 0 | 0 | 0 | 0 | 110.5 | T175 F177 P688 G689 W696 L700 | T175-C698 PolarHBondContact OG1-O 2.95Å; F177-C698 HydrophobicContact CD2-CB 3.74Å; F177-C698 HydrophobicContact CE2-CB 4.16Å; F177-C698 HydrophobicContact CG-CB 4.32Å; P688-C698 HydrophobicContact CG-CB 3.9Å; G689-C698 PolarHBondContact N-SG 3.25Å; W696-C698 PolarHBondContact O-N 3.29Å; C698-L700 VanDerWaalsContact C-N 3.34Å; C698-L700 PolarHBondContact O-N 3.16Å |
| 699 | C | 90.3 | Very high | 88.4 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 9% | 0.088 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 3.2 | -175.1 | 61 | 0 | 0 | 0 | 0 | 115.4 | F177 H687 Q701 C709 | F177-C699 HydrophobicContact CB-CB 4.06Å; F177-C699 WeakPolarHBondContact O-CA 3.31Å; H687-C699 VanDerWaalsContact CE1-SG 3.57Å; C699-Q701 HydrophobicContact CB-CG 4.2Å; C699-Q701 PolarHBondContact O-N 3.4Å; C699-Q701 VanDerWaalsContact SG-CG 3.52Å; C699-C709 HydrophobicContact CB-CB 3.62Å |
| 700 | L | 91.7 | Very high | 88.3 | Confident | 48 Ų | 48 | 57.1 Ų | 57.1 | 25% | 0.251 | 33% | 0.332 | S | S | . | . | trans | 61.8 | 6.1 | 179.5 | -49.3 | -179.6 | 0 | 0 | 0 | 115.6 | I172 K173 T175 K695 W696 C698 | I172-L700 HydrophobicContact CG2-CD1 4.14Å; K173-L700 WeakPolarHBondContact O-CD1 3.47Å; T175-L700 HydrophobicContact CG2-CD1 4.23Å; K695-L700 WeakPolarHBondContact CB-O 3.46Å; K695-L700 HydrophobicContact CD-CB 4.47Å; K695-L700 HydrophobicContact CD-CD2 4.35Å; W696-L700 WeakPolarHBondContact O-CA 3.15Å; W696-L700 PolarHBondContact O-N 3.49Å; W696-L700 VanDerWaalsContact O-N 3.11Å; C698-L700 VanDerWaalsContact C-N 3.34Å; C698-L700 PolarHBondContact O-N 3.16Å | ||
| 701 | Q | 90.6 | Very high | 88 | Confident | 70 Ų | 70 | 61.5 Ų | 61.5 | 33% | 0.327 | 35% | 0.348 | S | S | . | . | trans | -63.8 | 136 | 177 | -68.7 | -64.8 | -28.1 | 0 | 0 | 111.4 | K695 W696 C699 V706 | K695-Q701 CarbonylContact C-O 3.52Å; K695-Q701 VanDerWaalsContact CA-O 3.22Å; K695-Q701 WeakPolarHBondContact CA-O 3.26Å; W696-Q701 PolarHBondContact N-O 2.96Å; C699-Q701 HydrophobicContact CB-CG 4.2Å; C699-Q701 PolarHBondContact O-N 3.4Å; C699-Q701 VanDerWaalsContact SG-CG 3.52Å; Q701-V706 HydrophobicContact CB-CG1 3.97Å; Q701-V706 HydrophobicContact CG-CG1 4.39Å | ||
| 702 | A | 90.1 | Very high | 87.7 | Confident | 67 Ų | 67 | 60.3 Ų | 60.3 | 55% | 0.554 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -78 | -36.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | H691 G694 R704 | H691-A702 PolarHBondContact NE2-O 2.91Å; G694-A702 VanDerWaalsContact O-CA 3.22Å; G694-A702 WeakPolarHBondContact O-CA 3.22Å; G694-A702 WeakPolarHBondContact O-CB 3.17Å; A702-R704 PolarHBondContact O-N 3.4Å |
| 703 | D | 88.1 | Confident | 87.1 | Confident | 97 Ų | 97 | 57.6 Ų | 57.6 | 52% | 0.519 | 34% | 0.336 | S | S | . | . | trans | -69.7 | 127.8 | -179.8 | -172.1 | 4.5 | 0 | 0 | 0 | 111.1 | W696 A705 V706 | W696-D703 PolarHBondContact NE1-O 3.41Å; D703-A705 VanDerWaalsContact C-N 3.33Å; D703-A705 PolarHBondContact OD1-N 3.4Å; D703-V706 HydrophobicContact CB-CB 4.45Å; D703-V706 VanDerWaalsContact O-CG1 3.32Å; D703-V706 WeakPolarHBondContact O-CG1 3.47Å | ||
| 704 | R | 84.3 | Confident | 85.9 | Confident | 151 Ų | 151 | 54 Ų | 54 | 57% | 0.57 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -77.4 | -21.5 | 177.4 | -172.1 | 172.7 | 174.7 | 163.5 | 1.6 | 112.3 | W696 A702 | W696-R704 HydrophobicContact CZ2-CG 4.18Å; A702-R704 PolarHBondContact O-N 3.4Å |
| 705 | A | 84.5 | Confident | 84.3 | Confident | 86 Ų | 86 | 52.6 Ų | 52.6 | 71% | 0.711 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -89.8 | -5.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | D703 | D703-A705 VanDerWaalsContact C-N 3.33Å; D703-A705 PolarHBondContact OD1-N 3.4Å |
| 706 | V | 87.8 | Confident | 83.3 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 28% | 0.279 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -60.9 | 145.2 | 178.5 | 75.6 | 0 | 0 | 0 | 0 | 111.5 | H687 Q701 D703 | H687-V706 WeakPolarHBondContact NE2-CG1 3.19Å; H687-V706 PolarHBondContact NE2-O 3.21Å; Q701-V706 HydrophobicContact CB-CG1 3.97Å; Q701-V706 HydrophobicContact CG-CG1 4.39Å; D703-V706 HydrophobicContact CB-CB 4.45Å; D703-V706 VanDerWaalsContact O-CG1 3.32Å; D703-V706 WeakPolarHBondContact O-CG1 3.47Å |
| 707 | S | 87.5 | Confident | 82.3 | Confident | 90 Ų | 90 | 48.5 Ų | 48.5 | 63% | 0.629 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 152.4 | 174.5 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | H687 | H687-S707 PolarHBondContact CE1-O 3.06Å; H687-S707 PolarHBondContact NE2-O 3.45Å |
| 708 | G | 89.6 | Confident | 81.5 | Confident | 16 Ų | 16 | 48.6 Ų | 48.6 | 17% | 0.165 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 140.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S685 F686 S710 | S685-G708 WeakPolarHBondContact CB-O 3.33Å; S685-G708 PolarHBondContact OG-N 3.39Å; F686-G708 CarbonylContact O-C 3.43Å; F686-G708 VanDerWaalsContact O-CA 3.24Å; F686-G708 WeakPolarHBondContact O-CA 3.22Å; G708-S710 VanDerWaalsContact C-N 3.32Å |
| 709 | C | 89.3 | Confident | 80.3 | Confident | 16 Ų | 16 | 49.6 Ų | 49.6 | 11% | 0.108 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -84.7 | -2.3 | 178 | 68.6 | 0 | 0 | 0 | 0 | 114.1 | R143 F177 F686 P688 C699 | R143-C709 WeakPolarHBondContact CB-O 3.48Å; F177-C709 HydrophobicContact CB-CB 4.28Å; F177-C709 HydrophobicContact CD1-CB 4.19Å; F177-C709 WeakPolarHBondContact CD1-O 3.22Å; F177-C709 VanDerWaalsContact CD1-SG 3.56Å; F177-C709 HydrophobicContact CG-CB 4.47Å; F686-C709 PolarHBondContact O-N 3.39Å; P688-C709 WeakPolarHBondContact CD-SG 3.38Å; C699-C709 HydrophobicContact CB-CB 3.62Å |
| 710 | S | 87.1 | Confident | 79 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 5% | 0.049 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 151.9 | 173.4 | -163.5 | 0 | 0 | 0 | 0 | 111.4 | S685 F686 G708 | S685-S710 CarbonylContact C-O 3.5Å; S685-S710 WeakPolarHBondContact CA-O 3.14Å; S685-S710 VanDerWaalsContact CB-O 3.25Å; S685-S710 WeakPolarHBondContact CB-O 3.49Å; F686-S710 PolarHBondContact N-O 2.91Å; F686-S710 PolarHBondContact O-N 3.01Å; G708-S710 VanDerWaalsContact C-N 3.32Å |
| 711 | R | 84 | Confident | 77.3 | Confident | 107 Ų | 107 | 51.7 Ų | 51.7 | 40% | 0.404 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 139.9 | 173.7 | -73.5 | 178.9 | 172.6 | 154 | 1.8 | 109.6 | E119 F686 H713 | E119-R711 IonicContact OE1-CZ 3.69Å; E119-R711 IonicContact OE1-NH1 3.9Å; E119-R711 PolarHBondContact OE1-NH1 3.09Å; E119-R711 IonicContact OE2-CZ 2.73Å; E119-R711 IonicContact OE2-NH1 3.87Å; E119-R711 PolarHBondContact OE2-NH1 2.86Å; F686-R711 WeakPolarHBondContact CE1-O 3.45Å; R711-H713 PolarHBondContact O-CD2 3.18Å; R711-H713 PolarHBondContact O-N 2.89Å; R711-H713 PolarHBondContact O-NE2 2.97Å |
| 712 | T | 82.1 | Confident | 75.4 | Confident | 26 Ų | 26 | 49 Ų | 49 | 16% | 0.16 | 29% | 0.286 | C | S | . | . | trans | -64.2 | 131.1 | 170.7 | 37 | 0 | 0 | 0 | 0 | 111.3 | A626 E628 L683 P684 F686 S714 | A626-T712 HydrophobicContact CB-CG2 3.85Å; E628-T712 HydrophobicContact CG-CG2 4.07Å; E628-T712 VanDerWaalsContact OE1-CA 3.26Å; E628-T712 WeakPolarHBondContact OE1-CA 3.25Å; E628-T712 WeakPolarHBondContact OE1-CB 3.45Å; E628-T712 WeakPolarHBondContact OE1-CG2 3.36Å; L683-T712 WeakPolarHBondContact O-CG2 3.18Å; L683-T712 PolarHBondContact O-OG1 3.11Å; P684-T712 PolarHBondContact O-N 2.86Å; P684-T712 PolarHBondContact O-OG1 2.86Å; F686-T712 HydrophobicContact CB-CG2 4.46Å; F686-T712 HydrophobicContact CD1-CG2 3.72Å; F686-T712 HydrophobicContact CE1-CG2 4.47Å; F686-T712 HydrophobicContact CG-CG2 4.45Å; T712-S714 VanDerWaalsContact C-N 3.29Å | ||
| 713 | H | 69.6 | Low | 74 | Confident | 57 Ų | 57 | 46.8 Ų | 46.8 | 26% | 0.264 | 27% | 0.265 | S | S | . | . | trans | -97 | 27.3 | 176.8 | -59.8 | -101.3 | 0 | 0 | 0 | 111.2 | E37 E628 R673 R711 A715 V716 | E37-H713 IonicContact OE2-CG 3.96Å; E37-H713 IonicContact OE2-ND1 3.97Å; E628-H713 VanDerWaalsContact CD-N 3.34Å; E628-H713 PolarHBondContact OE1-N 2.87Å; E628-H713 IonicContact OE2-CD2 3.46Å; E628-H713 PolarHBondContact OE2-N 2.88Å; E628-H713 VanDerWaalsContact OE2-N 3.17Å; R673-H713 PolarHBondContact NH1-O 2.8Å; R673-H713 VanDerWaalsContact NH1-O 3.12Å; R711-H713 PolarHBondContact O-CD2 3.18Å; R711-H713 PolarHBondContact O-N 2.89Å; R711-H713 PolarHBondContact O-NE2 2.97Å; H713-A715 PolarHBondContact O-N 3.03Å; H713-V716 PolarHBondContact O-N 2.8Å | ||
| 714 | S | 57.3 | Low | 72.4 | Confident | 35 Ų | 35 | 45.6 Ų | 45.6 | 25% | 0.245 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -24.7 | 180 | 55.6 | 0 | 0 | 0 | 0 | 113.7 | E628 T712 | E628-S714 PolarHBondContact OE1-N 2.78Å; T712-S714 VanDerWaalsContact C-N 3.29Å |
| 715 | A | 54 | Low | 71.4 | Confident | 19 Ų | 19 | 39.7 Ų | 39.7 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -34.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | P62 M63 H713 T717 | P62-A715 HydrophobicContact CB-CB 3.94Å; P62-A715 WeakPolarHBondContact CD-O 3.45Å; P62-A715 HydrophobicContact CG-CB 3.69Å; M63-A715 HydrophobicContact CG-CB 4.09Å; H713-A715 PolarHBondContact O-N 3.03Å; A715-T717 PolarHBondContact O-N 3.11Å |
| 716 | V | 68.4 | Low | 70.9 | Confident | 29 Ų | 29 | 37.8 Ų | 37.8 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | trans | -79.7 | 112.9 | -176.6 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | V39 H60 L61 R673 H713 | V39-V716 HydrophobicContact CG1-CG1 4.24Å; H60-V716 WeakPolarHBondContact O-CA 3.33Å; L61-V716 HydrophobicContact CD2-CB 4.29Å; L61-V716 HydrophobicContact CD2-CG1 3.78Å; L61-V716 HydrophobicContact CD2-CG2 3.85Å; R673-V716 PolarHBondContact NH1-O 2.65Å; H713-V716 PolarHBondContact O-N 2.8Å | ||
| 717 | T | 71.4 | Confident | 70.2 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 5% | 0.049 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 139.9 | 178.1 | 59.9 | 0 | 0 | 0 | 0 | 111 | L59 H60 R673 K674 A715 | L59-T717 WeakPolarHBondContact CA-O 3.35Å; H60-T717 PolarHBondContact N-O 3.11Å; H60-T717 PolarHBondContact O-N 2.86Å; R673-T717 HydrophobicContact CB-CG2 3.98Å; K674-T717 HydrophobicContact CG-CG2 4.2Å; A715-T717 PolarHBondContact O-N 3.11Å |
| 718 | L | 74.2 | Confident | 69.9 | Low | 29 Ų | 29 | 35.6 Ų | 35.6 | 15% | 0.152 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 122.3 | 168.5 | -76.9 | 163.1 | 0 | 0 | 0 | 108.3 | F57 T58 L59 N666 S670 K674 | F57-L718 HydrophobicContact CD1-CD2 4.23Å; T58-L718 CarbonylContact O-C 3.48Å; T58-L718 WeakPolarHBondContact O-CA 3.46Å; L59-L718 HydrophobicContact CD2-CD2 3.39Å; L59-L718 HydrophobicContact CD2-CG 3.99Å; L59-L718 HydrophobicContact CG-CD2 4.5Å; N666-L718 HydrophobicContact CB-CD1 3.67Å; S670-L718 PolarHBondContact OG-N 2.88Å; S670-L718 PolarHBondContact OG-O 2.8Å; K674-L718 WeakPolarHBondContact CE-O 3.38Å; K674-L718 PolarHBondContact NZ-O 3.46Å |
| 719 | G | 64.9 | Low | 69.6 | Low | 24 Ų | 24 | 36 Ų | 36 | 25% | 0.247 | 20% | 0.202 | C | C | . | . | trans | -60.3 | 137.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | T58 D723 | T58-G719 PolarHBondContact O-N 3.05Å; G719-D723 WeakPolarHBondContact CA-OD2 3.47Å | ||
| 720 | D | 62.6 | Low | 69.4 | Low | 48 Ų | 48 | 36 Ų | 36 | 26% | 0.257 | 20% | 0.2 | S | C | . | . | trans | -135 | 161.9 | -179.5 | -156.7 | -7.6 | 0 | 0 | 0 | 110.2 | Q489 S722 D723 | Q489-D720 PolarHBondContact NE2-OD1 2.82Å; D720-S722 PolarHBondContact O-N 3.14Å; D720-D723 WeakPolarHBondContact CA-OD1 3.19Å; D720-D723 WeakPolarHBondContact CB-OD1 3.37Å; D720-D723 VanDerWaalsContact N-CG 3.28Å; D720-D723 PolarHBondContact N-OD1 2.62Å; D720-D723 PolarHBondContact N-OD2 2.78Å; D720-D723 WeakPolarHBondContact O-CB 3.49Å; D720-D723 PolarHBondContact O-N 3.1Å; D720-D723 VanDerWaalsContact O-OD1 3.09Å | ||
| 721 | W | 55.6 | Low | 69.5 | Low | 58 Ų | 58 | 35.7 Ų | 35.7 | 22% | 0.22 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -19.8 | 176.2 | 64.9 | -89.3 | 0 | 0 | 0 | 112.2 | M364 L365 Q489 F566 D723 | M364-W721 HydrophobicContact CB-CD2 3.88Å; M364-W721 HydrophobicContact CB-CE3 3.83Å; M364-W721 HydrophobicContact CB-CH2 3.59Å; M364-W721 HydrophobicContact CB-CZ2 3.62Å; M364-W721 HydrophobicContact CB-CZ3 3.68Å; M364-W721 HydrophobicContact CG-CD2 3.93Å; M364-W721 HydrophobicContact CG-CE3 4.08Å; M364-W721 HydrophobicContact CG-CG 4.38Å; M364-W721 HydrophobicContact CG-CZ2 4.48Å; M364-W721 HydrophobicContact CG-CZ3 4.42Å; L365-W721 HydrophobicContact CD2-CH2 4.21Å; L365-W721 HydrophobicContact CG-CH2 4.06Å; Q489-W721 VanDerWaalsContact NE2-CD1 3.3Å; F566-W721 HydrophobicContact CE1-CZ3 4.1Å; F566-W721 HydrophobicContact CZ-CE3 4.34Å; F566-W721 HydrophobicContact CZ-CH2 4.37Å; F566-W721 AromaticContact CZ-CZ3 3.64Å; F566-W721 HydrophobicContact CZ-CZ3 3.64Å; W721-D723 VanDerWaalsContact C-N 3.31Å |
| 722 | S | 51.4 | Low | 69.8 | Low | 14 Ų | 14 | 30.8 Ų | 30.8 | 10% | 0.098 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 8.5 | 179.6 | 60.6 | 0 | 0 | 0 | 0 | 113.9 | D720 | D720-S722 PolarHBondContact O-N 3.14Š|
| 723 | D | 59.7 | Low | 70.1 | Confident | 20 Ų | 20 | 31 Ų | 31 | 11% | 0.107 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -58.2 | 135.7 | -176.5 | -69.7 | -3.9 | 0 | 0 | 0 | 111.6 | H60 K674 G719 D720 W721 L725 | H60-D723 IonicContact NE2-OD2 2.78Å; K674-D723 VanDerWaalsContact CE-OD1 3.24Å; K674-D723 WeakPolarHBondContact CE-OD1 3.47Å; K674-D723 IonicContact NZ-OD1 3.89Å; K674-D723 PolarHBondContact NZ-OD1 3.39Å; K674-D723 IonicContact NZ-OD2 3.9Å; G719-D723 WeakPolarHBondContact CA-OD2 3.47Å; D720-D723 WeakPolarHBondContact CA-OD1 3.19Å; D720-D723 WeakPolarHBondContact CB-OD1 3.37Å; D720-D723 VanDerWaalsContact N-CG 3.28Å; D720-D723 PolarHBondContact N-OD1 2.62Å; D720-D723 PolarHBondContact N-OD2 2.78Å; D720-D723 WeakPolarHBondContact O-CB 3.49Å; D720-D723 PolarHBondContact O-N 3.1Å; D720-D723 VanDerWaalsContact O-OD1 3.09Å; W721-D723 VanDerWaalsContact C-N 3.31Å; D723-L725 PolarHBondContact O-N 2.85Å |
| 724 | P | 54.4 | Low | 71.2 | Confident | 71 Ų | 71 | 28.3 Ų | 28.3 | 46% | 0.461 | 17% | 0.167 | S | C | . | . | P | Polyproline II helix | trans | -57.8 | 140.2 | 173.1 | 24.5 | -31.1 | 0 | 0 | 0 | 109.1 | D726 | P724-D726 PolarHBondContact O-N 2.8Š|
| 725 | L | 65.1 | Low | 72.9 | Confident | 27 Ų | 27 | 27 Ų | 27 | 14% | 0.141 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 130.8 | 177.8 | -65 | 173.1 | 0 | 0 | 0 | 109.5 | K315 L318 G319 V565 D723 | K315-L725 HydrophobicContact CB-CD2 3.46Å; K315-L725 VanDerWaalsContact CB-CD2 3.46Å; K315-L725 HydrophobicContact CD-CD2 4.14Å; K315-L725 HydrophobicContact CG-CD2 3.6Å; K315-L725 WeakPolarHBondContact O-CD2 3.35Å; L318-L725 HydrophobicContact CB-CD1 3.98Å; G319-L725 VanDerWaalsContact CA-CD1 3.42Å; G319-L725 VanDerWaalsContact N-CD1 3.31Å; V565-L725 HydrophobicContact CG2-CD1 3.37Å; V565-L725 HydrophobicContact CG2-CD2 3.79Å; V565-L725 HydrophobicContact CG2-CG 3.43Å; V565-L725 VanDerWaalsContact CG2-CG 3.43Å; D723-L725 PolarHBondContact O-N 2.85Å |
| 726 | D | 72.6 | Confident | 74.5 | Confident | 46 Ų | 46 | 28.9 Ų | 28.9 | 25% | 0.246 | 16% | 0.161 | C | C | . | . | trans | -114.8 | 96 | 168.3 | -171.6 | -34.6 | 0 | 0 | 0 | 108.1 | P724 D728 V729 E730 | P724-D726 PolarHBondContact O-N 2.8Å; D726-D728 PolarHBondContact O-N 3.49Å; D726-D728 PolarHBondContact OD1-N 2.86Å; D726-V729 HydrophobicContact CB-CB 3.94Å; D726-V729 HydrophobicContact CB-CG2 3.74Å; D726-V729 PolarHBondContact O-N 2.92Å; D726-V729 PolarHBondContact OD1-N 3.11Å; D726-V729 VanDerWaalsContact OD1-N 3.15Å; D726-V729 VanDerWaalsContact OD2-CG2 3.32Å; D726-V729 WeakPolarHBondContact OD2-CG2 3.5Å; D726-E730 PolarHBondContact N-OE1 3.24Å; D726-E730 WeakPolarHBondContact O-CB 3.31Å; D726-E730 WeakPolarHBondContact O-CG 3.42Å; D726-E730 PolarHBondContact O-N 2.86Å; D726-E730 VanDerWaalsContact O-OE2 3.04Å | ||
| 727 | P | 74.7 | Confident | 75.5 | Confident | 59 Ų | 59 | 29 Ų | 29 | 38% | 0.383 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -54.7 | -30.2 | -177.7 | -26.3 | 34.8 | 0 | 0 | 0 | 113.6 | T731 | P727-T731 VanDerWaalsContact O-CB 3.29Å; P727-T731 WeakPolarHBondContact O-CB 3.42Å; P727-T731 PolarHBondContact O-N 3.31Å; P727-T731 PolarHBondContact O-OG1 2.83Å |
| 728 | D | 81.3 | Confident | 76.5 | Confident | 32 Ų | 32 | 28.7 Ų | 28.7 | 17% | 0.171 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -79.4 | -43.6 | -175.6 | -67.1 | -16.5 | 0 | 0 | 0 | 111.3 | I265 S268 Y271 D726 E730 T731 Q732 | I265-D728 HydrophobicContact CG2-CB 3.75Å; S268-D728 WeakPolarHBondContact CA-OD1 3.19Å; S268-D728 WeakPolarHBondContact CB-OD1 3.27Å; S268-D728 WeakPolarHBondContact CB-OD2 3.18Å; S268-D728 PolarHBondContact N-OD2 2.89Å; S268-D728 VanDerWaalsContact OG-CG 3.28Å; S268-D728 PolarHBondContact OG-OD1 3.35Å; S268-D728 PolarHBondContact OG-OD2 2.96Å; Y271-D728 HydrophobicContact CD2-CB 4Å; Y271-D728 HydrophobicContact CE2-CB 3.91Å; D726-D728 PolarHBondContact O-N 3.49Å; D726-D728 PolarHBondContact OD1-N 2.86Å; D728-E730 VanDerWaalsContact C-N 3.27Å; D728-E730 PolarHBondContact O-N 2.69Å; D728-T731 PolarHBondContact O-N 2.91Å; D728-Q732 VanDerWaalsContact O-CB 3.28Å; D728-Q732 WeakPolarHBondContact O-CB 3.37Å; D728-Q732 PolarHBondContact O-N 3.45Å |
| 729 | V | 82.1 | Confident | 77.2 | Confident | 25 Ų | 25 | 29.8 Ų | 29.8 | 15% | 0.152 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.5 | -46.9 | 171 | 175.8 | 0 | 0 | 0 | 0 | 109.4 | I265 D726 T731 Q732 M733 | I265-V729 HydrophobicContact CD1-CB 4.23Å; I265-V729 HydrophobicContact CD1-CG2 3.37Å; D726-V729 HydrophobicContact CB-CB 3.94Å; D726-V729 HydrophobicContact CB-CG2 3.74Å; D726-V729 PolarHBondContact O-N 2.92Å; D726-V729 PolarHBondContact OD1-N 3.11Å; D726-V729 VanDerWaalsContact OD1-N 3.15Å; D726-V729 VanDerWaalsContact OD2-CG2 3.32Å; D726-V729 WeakPolarHBondContact OD2-CG2 3.5Å; V729-T731 PolarHBondContact O-N 3.08Å; V729-Q732 WeakPolarHBondContact O-CB 3.4Å; V729-Q732 PolarHBondContact O-N 3.15Å; V729-M733 WeakPolarHBondContact O-CG 3.15Å; V729-M733 PolarHBondContact O-N 2.93Å |
| 730 | E | 85.9 | Confident | 78.3 | Confident | 15 Ų | 15 | 35.6 Ų | 35.6 | 7% | 0.07 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.1 | -41.8 | -174 | -82.9 | 57.1 | 140.3 | 0 | 0 | 110.1 | T312 K315 I316 D726 D728 M733 I734 | T312-E730 HydrophobicContact CG2-CB 4.02Å; T312-E730 HydrophobicContact CG2-CG 4.38Å; T312-E730 WeakPolarHBondContact CG2-O 3.29Å; K315-E730 HydrophobicContact CB-CG 3.79Å; K315-E730 HydrophobicContact CD-CG 4.08Å; I316-E730 HydrophobicContact CD1-CB 4.19Å; I316-E730 HydrophobicContact CG1-CB 3.69Å; I316-E730 HydrophobicContact CG1-CG 4.46Å; D726-E730 PolarHBondContact N-OE1 3.24Å; D726-E730 WeakPolarHBondContact O-CB 3.31Å; D726-E730 WeakPolarHBondContact O-CG 3.42Å; D726-E730 PolarHBondContact O-N 2.86Å; D726-E730 VanDerWaalsContact O-OE2 3.04Å; D728-E730 VanDerWaalsContact C-N 3.27Å; D728-E730 PolarHBondContact O-N 2.69Å; E730-M733 WeakPolarHBondContact O-CB 3.33Å; E730-M733 PolarHBondContact O-N 2.63Å; E730-I734 PolarHBondContact O-N 3.38Å |
| 731 | T | 88.5 | Confident | 79.5 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.3 | -37.7 | 177.6 | -51.6 | 0 | 0 | 0 | 0 | 112 | Y271 L274 I275 P727 D728 V729 M733 I734 Y735 | Y271-T731 HydrophobicContact CD1-CG2 3.87Å; Y271-T731 HydrophobicContact CG-CG2 3.9Å; L274-T731 HydrophobicContact CB-CG2 4.16Å; L274-T731 HydrophobicContact CD2-CG2 3.7Å; L274-T731 HydrophobicContact CG-CG2 4.04Å; I275-T731 HydrophobicContact CD1-CG2 4.05Å; I275-T731 WeakPolarHBondContact CD1-OG1 3.3Å; I275-T731 HydrophobicContact CG1-CG2 4.11Å; P727-T731 VanDerWaalsContact O-CB 3.29Å; P727-T731 WeakPolarHBondContact O-CB 3.42Å; P727-T731 PolarHBondContact O-N 3.31Å; P727-T731 PolarHBondContact O-OG1 2.83Å; D728-T731 PolarHBondContact O-N 2.91Å; V729-T731 PolarHBondContact O-N 3.08Å; T731-M733 PolarHBondContact O-N 2.52Å; T731-I734 PolarHBondContact O-N 3.48Å; T731-I734 VanDerWaalsContact O-N 3.16Å; T731-Y735 PolarHBondContact O-N 3.45Å |
| 732 | Q | 90.7 | Very high | 81 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.5 | -37.9 | 173.5 | 178.9 | 56.3 | 18.2 | 0 | 0 | 111.7 | R264 Y271 D728 V729 Y735 K736 H803 | R264-Q732 PolarHBondContact O-NE2 3.48Å; Y271-Q732 HydrophobicContact CE1-CB 4.23Å; Y271-Q732 WeakPolarHBondContact OH-CB 3.39Å; Y271-Q732 PolarHBondContact OH-OE1 3.07Å; D728-Q732 VanDerWaalsContact O-CB 3.28Å; D728-Q732 WeakPolarHBondContact O-CB 3.37Å; D728-Q732 PolarHBondContact O-N 3.45Å; V729-Q732 WeakPolarHBondContact O-CB 3.4Å; V729-Q732 PolarHBondContact O-N 3.15Å; Q732-Y735 PolarHBondContact O-N 2.65Å; Q732-K736 PolarHBondContact O-N 2.84Å; Q732-H803 PolarHBondContact NE2-CE1 2.91Å; Q732-H803 PolarHBondContact NE2-NE2 3.22Å; Q732-H803 PolarHBondContact OE1-NE2 2.84Å |
| 733 | M | 88 | Confident | 82.8 | Confident | 30 Ų | 30 | 39 Ų | 39 | 15% | 0.148 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.7 | -40.7 | 176.2 | -69.4 | -62.1 | -71.7 | 0 | 0 | 112.2 | T312 V729 E730 T731 K736 Q737 | T312-M733 HydrophobicContact CG2-CB 3.97Å; V729-M733 WeakPolarHBondContact O-CG 3.15Å; V729-M733 PolarHBondContact O-N 2.93Å; E730-M733 WeakPolarHBondContact O-CB 3.33Å; E730-M733 PolarHBondContact O-N 2.63Å; T731-M733 PolarHBondContact O-N 2.52Å; M733-K736 PolarHBondContact O-N 3.49Å; M733-Q737 WeakPolarHBondContact O-CG 3.43Å; M733-Q737 PolarHBondContact O-N 3.34Å |
| 734 | I | 91.9 | Very high | 84 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.5 | -44.5 | 174 | -60.5 | -56.3 | 0 | 0 | 0 | 111.3 | L274 L278 L297 V309 T312 L313 I316 E730 T731 K736 Q737 L738 | L274-I734 HydrophobicContact CD2-CG2 4.36Å; L278-I734 HydrophobicContact CD1-CG2 4.22Å; L297-I734 HydrophobicContact CD1-CG2 4.26Å; L297-I734 HydrophobicContact CD2-CD1 4.26Å; L297-I734 HydrophobicContact CD2-CG2 3.96Å; V309-I734 HydrophobicContact CG1-CD1 4.4Å; T312-I734 HydrophobicContact CG2-CD1 3.64Å; T312-I734 HydrophobicContact CG2-CG1 3.74Å; L313-I734 HydrophobicContact CD2-CD1 3.84Å; L313-I734 HydrophobicContact CD2-CG1 4.29Å; L313-I734 HydrophobicContact CG-CD1 4Å; I316-I734 HydrophobicContact CD1-CG1 3.71Å; E730-I734 PolarHBondContact O-N 3.38Å; T731-I734 PolarHBondContact O-N 3.48Å; T731-I734 VanDerWaalsContact O-N 3.16Å; I734-K736 VanDerWaalsContact C-N 3.31Å; I734-K736 PolarHBondContact O-N 2.82Å; I734-Q737 PolarHBondContact O-N 3.07Å; I734-Q737 VanDerWaalsContact O-N 3.1Å; I734-L738 HydrophobicContact CG2-CD1 4.08Å; I734-L738 HydrophobicContact CG2-CG 4.4Å; I734-L738 PolarHBondContact O-N 3.11Å |
| 735 | Y | 92.8 | Very high | 85.5 | Confident | 9 Ų | 9 | 40 Ų | 40 | 4% | 0.035 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.9 | -46.4 | 175.2 | 161.2 | -110.2 | 0 | 0 | 0 | 111.7 | T731 Q732 Q737 L738 L739 I796 L799 E800 H803 | T731-Y735 PolarHBondContact O-N 3.45Å; Q732-Y735 PolarHBondContact O-N 2.65Å; Y735-Q737 VanDerWaalsContact C-N 3.29Å; Y735-Q737 PolarHBondContact O-N 3.06Å; Y735-L738 PolarHBondContact O-N 2.93Å; Y735-L739 HydrophobicContact CE1-CD2 4.42Å; Y735-L739 HydrophobicContact CE2-CB 4.39Å; Y735-L739 WeakPolarHBondContact O-CB 3.37Å; Y735-L739 PolarHBondContact O-N 2.92Å; Y735-I796 HydrophobicContact CE2-CG2 4.21Å; Y735-L799 HydrophobicContact CD2-CB 3.82Å; Y735-L799 HydrophobicContact CD2-CD1 3.47Å; Y735-L799 VanDerWaalsContact CD2-CD1 3.47Å; Y735-L799 HydrophobicContact CD2-CG 4.29Å; Y735-L799 HydrophobicContact CE2-CB 3.53Å; Y735-L799 HydrophobicContact CE2-CD1 4.11Å; Y735-L799 HydrophobicContact CE2-CG 4.48Å; Y735-L799 HydrophobicContact CG-CB 4.44Å; Y735-L799 HydrophobicContact CG-CD1 3.84Å; Y735-E800 WeakPolarHBondContact OH-CA 3.45Å; Y735-E800 PolarHBondContact OH-N 3.44Å; Y735-H803 AromaticContact CE1-CD2 3.64Å; Y735-H803 AromaticContact CE1-NE2 3.7Å |
| 736 | K | 88.8 | Confident | 86.5 | Confident | 58 Ų | 58 | 45 Ų | 45 | 25% | 0.252 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.9 | -39.8 | 176.7 | -79.8 | -171.4 | 169.1 | -168.6 | 0 | 112.7 | E262 D263 Q732 M733 I734 Q740 | E262-K736 PolarHBondContact O-NZ 3.48Å; E262-K736 VanDerWaalsContact O-NZ 3.1Å; D263-K736 WeakPolarHBondContact OD1-CD 3.28Å; D263-K736 WeakPolarHBondContact OD1-CE 3.22Å; D263-K736 IonicContact OD1-NZ 2.61Å; D263-K736 PolarHBondContact OD1-NZ 3.37Å; Q732-K736 PolarHBondContact O-N 2.84Å; M733-K736 PolarHBondContact O-N 3.49Å; I734-K736 VanDerWaalsContact C-N 3.31Å; I734-K736 PolarHBondContact O-N 2.82Å; K736-Q740 WeakPolarHBondContact O-CG 3.46Å; K736-Q740 PolarHBondContact O-N 2.7Å; K736-Q740 VanDerWaalsContact O-N 3.08Å |
| 737 | Q | 90 | Very high | 87 | Confident | 30 Ų | 30 | 49 Ų | 49 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68 | -43 | 177.5 | -65 | -65.4 | -49.8 | 0 | 0 | 111.7 | L297 S305 V309 M733 I734 Y735 L739 Q740 G741 | L297-Q737 HydrophobicContact CD1-CB 4.41Å; S305-Q737 PolarHBondContact OG-OE1 2.84Å; V309-Q737 HydrophobicContact CG2-CB 4.48Å; V309-Q737 HydrophobicContact CG2-CG 3.79Å; M733-Q737 WeakPolarHBondContact O-CG 3.43Å; M733-Q737 PolarHBondContact O-N 3.34Å; I734-Q737 PolarHBondContact O-N 3.07Å; I734-Q737 VanDerWaalsContact O-N 3.1Å; Y735-Q737 VanDerWaalsContact C-N 3.29Å; Y735-Q737 PolarHBondContact O-N 3.06Å; Q737-L739 VanDerWaalsContact C-N 3.33Å; Q737-L739 PolarHBondContact O-N 3.23Å; Q737-Q740 PolarHBondContact O-N 2.9Å; Q737-G741 PolarHBondContact O-N 2.92Å |
| 738 | L | 91.1 | Very high | 87.1 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 175.2 | -72.1 | 172.8 | 0 | 0 | 0 | 112 | L274 L297 V300 I734 Y735 G741 R742 L745 L792 I796 | L274-L738 HydrophobicContact CD1-CD1 3.64Å; L274-L738 HydrophobicContact CD2-CD1 4.3Å; L297-L738 HydrophobicContact CB-CD2 4.38Å; L297-L738 HydrophobicContact CD1-CD2 3.76Å; L297-L738 HydrophobicContact CD1-CG 3.99Å; V300-L738 HydrophobicContact CG2-CD2 4.28Å; I734-L738 HydrophobicContact CG2-CD1 4.08Å; I734-L738 HydrophobicContact CG2-CG 4.4Å; I734-L738 PolarHBondContact O-N 3.11Å; Y735-L738 PolarHBondContact O-N 2.93Å; L738-G741 CarbonylContact O-C 3.55Å; L738-G741 WeakPolarHBondContact O-CA 3.25Å; L738-G741 PolarHBondContact O-N 3.48Å; L738-G741 VanDerWaalsContact O-N 3.14Å; L738-R742 PolarHBondContact O-N 2.89Å; L738-L745 HydrophobicContact CD2-CD1 3.9Å; L738-L792 HydrophobicContact CD1-CD2 4.08Å; L738-I796 HydrophobicContact CB-CD1 3.84Å; L738-I796 HydrophobicContact CB-CG1 4.09Å |
| 739 | L | 90.1 | Very high | 86.9 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 28% | 0.277 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63 | -44.1 | 177 | -175.5 | 66.3 | 0 | 0 | 0 | 111.6 | Y735 Q737 G741 R742 I796 | Y735-L739 HydrophobicContact CE1-CD2 4.42Å; Y735-L739 HydrophobicContact CE2-CB 4.39Å; Y735-L739 WeakPolarHBondContact O-CB 3.37Å; Y735-L739 PolarHBondContact O-N 2.92Å; Q737-L739 VanDerWaalsContact C-N 3.33Å; Q737-L739 PolarHBondContact O-N 3.23Å; L739-G741 PolarHBondContact O-N 2.82Å; L739-R742 VanDerWaalsContact O-CB 3.24Å; L739-R742 WeakPolarHBondContact O-CB 3.31Å; L739-R742 PolarHBondContact O-N 3.49Å; L739-I796 HydrophobicContact CD1-CG2 3.73Å |
| 740 | Q | 87.6 | Confident | 86.7 | Confident | 146 Ų | 146 | 53.3 Ų | 53.3 | 68% | 0.682 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.8 | -34.1 | 173.5 | -71.9 | 173.8 | 4.4 | 0 | 0 | 112.1 | K736 Q737 | K736-Q740 WeakPolarHBondContact O-CG 3.46Å; K736-Q740 PolarHBondContact O-N 2.7Å; K736-Q740 VanDerWaalsContact O-N 3.08Å; Q737-Q740 PolarHBondContact O-N 2.9Å |
| 741 | G | 86.5 | Confident | 86.1 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 8% | 0.082 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -3.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q737 L738 L739 D743 K744 L745 | Q737-G741 PolarHBondContact O-N 2.92Å; L738-G741 CarbonylContact O-C 3.55Å; L738-G741 WeakPolarHBondContact O-CA 3.25Å; L738-G741 PolarHBondContact O-N 3.48Å; L738-G741 VanDerWaalsContact O-N 3.14Å; L739-G741 PolarHBondContact O-N 2.82Å; G741-D743 VanDerWaalsContact C-N 3.32Å; G741-D743 PolarHBondContact O-N 2.88Å; G741-K744 WeakPolarHBondContact O-CB 3.38Å; G741-K744 PolarHBondContact O-N 2.96Å; G741-L745 PolarHBondContact O-N 3.07Å |
| 742 | R | 88.9 | Confident | 85.1 | Confident | 74 Ų | 74 | 59.8 Ų | 59.8 | 28% | 0.279 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -54.6 | -42.7 | -165.4 | -177.1 | -179.2 | 66.3 | -166.3 | -4.8 | 113.6 | L738 L739 K744 L745 R746 L793 E800 | L738-R742 PolarHBondContact O-N 2.89Å; L739-R742 VanDerWaalsContact O-CB 3.24Å; L739-R742 WeakPolarHBondContact O-CB 3.31Å; L739-R742 PolarHBondContact O-N 3.49Å; R742-K744 VanDerWaalsContact C-N 3.32Å; R742-K744 PolarHBondContact O-N 2.9Å; R742-L745 WeakPolarHBondContact O-CB 3.03Å; R742-L745 PolarHBondContact O-N 2.86Å; R742-R746 PolarHBondContact O-N 3.01Å; R742-L793 HydrophobicContact CG-CD2 3.88Å; R742-E800 IonicContact NH1-OE1 3.91Å; R742-E800 IonicContact NH1-OE2 2.76Å; R742-E800 PolarHBondContact NH1-OE2 2.78Å; R742-E800 VanDerWaalsContact NH1-OE2 3.15Å |
| 743 | D | 87.4 | Confident | 83.7 | Confident | 110 Ų | 110 | 63.8 Ų | 63.8 | 59% | 0.588 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -67.9 | -34.7 | -178.3 | -66.2 | -24.1 | 0 | 0 | 0 | 112 | G741 R746 K747 | G741-D743 VanDerWaalsContact C-N 3.32Å; G741-D743 PolarHBondContact O-N 2.88Å; D743-R746 PolarHBondContact O-N 2.69Å; D743-K747 PolarHBondContact O-N 2.82Å |
| 744 | K | 86.1 | Confident | 82.3 | Confident | 109 Ų | 109 | 70.2 Ų | 70.2 | 47% | 0.474 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.6 | -41.7 | 174.5 | -171.9 | 176.2 | 179.5 | 179.7 | 0 | 111 | E299 V300 G741 R742 K747 K748 | E299-K744 WeakPolarHBondContact O-CE 3.12Å; E299-K744 PolarHBondContact O-NZ 3.09Å; V300-K744 HydrophobicContact CG1-CB 4.14Å; V300-K744 HydrophobicContact CG1-CD 4.28Å; V300-K744 HydrophobicContact CG1-CG 4.33Å; G741-K744 WeakPolarHBondContact O-CB 3.38Å; G741-K744 PolarHBondContact O-N 2.96Å; R742-K744 VanDerWaalsContact C-N 3.32Å; R742-K744 PolarHBondContact O-N 2.9Å; K744-K747 PolarHBondContact O-N 2.79Å; K744-K748 PolarHBondContact O-N 2.8Å |
| 745 | L | 85.6 | Confident | 80.6 | Confident | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.1 | -46.3 | 171.3 | -98.6 | 138.3 | 0 | 0 | 0 | 111.8 | M296 V300 L738 G741 R742 K748 Y749 L792 L793 I796 | M296-L745 HydrophobicContact CB-CD2 4.18Å; V300-L745 HydrophobicContact CB-CD1 4.49Å; V300-L745 HydrophobicContact CG1-CD1 3.7Å; V300-L745 HydrophobicContact CG1-CG 3.86Å; V300-L745 HydrophobicContact CG2-CD1 4.2Å; L738-L745 HydrophobicContact CD2-CD1 3.9Å; G741-L745 PolarHBondContact O-N 3.07Å; R742-L745 WeakPolarHBondContact O-CB 3.03Å; R742-L745 PolarHBondContact O-N 2.86Å; L745-K748 PolarHBondContact O-N 3.1Å; L745-Y749 PolarHBondContact O-N 2.92Å; L745-L792 HydrophobicContact CD2-CB 4.18Å; L745-L792 HydrophobicContact CD2-CD1 3.95Å; L745-L793 HydrophobicContact CB-CD2 4.3Å; L745-I796 HydrophobicContact CD1-CD1 4.45Å |
| 746 | R | 85.4 | Confident | 78.5 | Confident | 131 Ų | 131 | 78 Ų | 78 | 49% | 0.494 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 177.6 | -177.9 | 179.3 | -79.5 | 157.8 | -7.3 | 112.1 | R742 D743 K748 Y749 L750 | R742-R746 PolarHBondContact O-N 3.01Å; D743-R746 PolarHBondContact O-N 2.69Å; R746-K748 VanDerWaalsContact C-N 3.34Å; R746-K748 PolarHBondContact O-N 2.79Å; R746-Y749 WeakPolarHBondContact O-CB 3.38Å; R746-Y749 PolarHBondContact O-N 2.83Å; R746-L750 WeakPolarHBondContact O-CG 3.35Å; R746-L750 PolarHBondContact O-N 2.9Å; R746-L750 VanDerWaalsContact O-N 3.12Å |
| 747 | K | 83.6 | Confident | 76.5 | Confident | 131 Ų | 131 | 79.8 Ų | 79.8 | 57% | 0.57 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61 | -44.7 | 176.2 | -174 | 179.5 | 178.2 | -166.4 | 0 | 111.4 | D743 K744 L750 E751 | D743-K747 PolarHBondContact O-N 2.82Å; K744-K747 PolarHBondContact O-N 2.79Å; K747-L750 PolarHBondContact O-N 3.4Å; K747-E751 WeakPolarHBondContact CE-OE1 3.16Å; K747-E751 IonicContact NZ-OE1 3.57Å; K747-E751 WeakPolarHBondContact O-CG 3.08Å; K747-E751 PolarHBondContact O-N 3.24Å |
| 748 | K | 75.8 | Confident | 74.3 | Confident | 61 Ų | 61 | 84.3 Ų | 84.3 | 27% | 0.265 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 176.6 | -80.5 | -80.9 | 178.5 | 143.6 | 0 | 112.7 | E299 K744 L745 R746 L750 E751 M752 | E299-K748 VanDerWaalsContact CD-NZ 3.3Å; E299-K748 IonicContact OE1-NZ 3.59Å; E299-K748 PolarHBondContact OE1-NZ 2.85Å; E299-K748 WeakPolarHBondContact OE2-CD 3.23Å; E299-K748 WeakPolarHBondContact OE2-CE 3.31Å; E299-K748 IonicContact OE2-NZ 3.91Å; E299-K748 PolarHBondContact OE2-NZ 2.76Å; K744-K748 PolarHBondContact O-N 2.8Å; L745-K748 PolarHBondContact O-N 3.1Å; R746-K748 VanDerWaalsContact C-N 3.34Å; R746-K748 PolarHBondContact O-N 2.79Å; K748-L750 VanDerWaalsContact C-N 3.3Å; K748-L750 PolarHBondContact O-N 3.46Å; K748-E751 PolarHBondContact O-N 2.96Å; K748-M752 VanDerWaalsContact O-CG 3.26Å; K748-M752 WeakPolarHBondContact O-CG 3.34Å; K748-M752 PolarHBondContact O-N 3Å |
| 749 | Y | 77.9 | Confident | 72.1 | Confident | 58 Ų | 58 | 88.3 Ų | 88.3 | 23% | 0.227 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -54.8 | -47.1 | 173 | 174.6 | -102.5 | 0 | 0 | 0 | 111.8 | L745 R746 M752 E753 S787 A789 A790 L793 | L745-Y749 PolarHBondContact O-N 2.92Å; R746-Y749 WeakPolarHBondContact O-CB 3.38Å; R746-Y749 PolarHBondContact O-N 2.83Å; Y749-M752 PolarHBondContact O-N 3.14Å; Y749-E753 HydrophobicContact CE1-CG 4.26Å; Y749-E753 HydrophobicContact CE2-CG 4.33Å; Y749-E753 VanDerWaalsContact CZ-CD 3.47Å; Y749-E753 PolarHBondContact O-N 2.78Å; Y749-E753 PolarHBondContact OH-OE1 3.02Å; Y749-S787 VanDerWaalsContact CD2-OG 3.23Å; Y749-S787 WeakPolarHBondContact CD2-OG 3.2Å; Y749-S787 VanDerWaalsContact CE2-OG 3.26Å; Y749-S787 WeakPolarHBondContact CE2-OG 3.09Å; Y749-A789 HydrophobicContact CD2-CB 4.2Å; Y749-A790 HydrophobicContact CD2-CB 4.02Å; Y749-A790 HydrophobicContact CE2-CB 3.56Å; Y749-L793 HydrophobicContact CG-CD1 4.49Å |
| 750 | L | 78.3 | Confident | 69.5 | Low | 87 Ų | 87 | 90 Ų | 90 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 177.8 | -65.4 | 168.4 | 0 | 0 | 0 | 112.4 | R746 K747 K748 M752 E753 E754 | R746-L750 WeakPolarHBondContact O-CG 3.35Å; R746-L750 PolarHBondContact O-N 2.9Å; R746-L750 VanDerWaalsContact O-N 3.12Å; K747-L750 PolarHBondContact O-N 3.4Å; K748-L750 VanDerWaalsContact C-N 3.3Å; K748-L750 PolarHBondContact O-N 3.46Å; L750-M752 VanDerWaalsContact C-N 3.27Å; L750-M752 PolarHBondContact O-N 3.3Å; L750-E753 PolarHBondContact O-N 2.9Å; L750-E754 PolarHBondContact O-N 2.94Å |
| 751 | E | 72.9 | Confident | 67 | Low | 84 Ų | 84 | 90.5 Ų | 90.5 | 39% | 0.393 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.2 | -35.2 | 175.4 | -72.3 | 171.7 | 179.1 | 0 | 0 | 112 | K747 K748 A755 | K747-E751 WeakPolarHBondContact CE-OE1 3.16Å; K747-E751 IonicContact NZ-OE1 3.57Å; K747-E751 WeakPolarHBondContact O-CG 3.08Å; K747-E751 PolarHBondContact O-N 3.24Å; K748-E751 PolarHBondContact O-N 2.96Å; E751-A755 WeakPolarHBondContact O-CB 3.37Å; E751-A755 PolarHBondContact O-N 3.25Å |
| 752 | M | 67.4 | Low | 64.6 | Low | 68 Ų | 68 | 99.6 Ų | 99.6 | 34% | 0.335 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -74.3 | -35.6 | 176.5 | -69 | 173.6 | 74.2 | 0 | 0 | 112.6 | K748 Y749 L750 A755 D756 | K748-M752 VanDerWaalsContact O-CG 3.26Å; K748-M752 WeakPolarHBondContact O-CG 3.34Å; K748-M752 PolarHBondContact O-N 3Å; Y749-M752 PolarHBondContact O-N 3.14Å; L750-M752 VanDerWaalsContact C-N 3.27Å; L750-M752 PolarHBondContact O-N 3.3Å; M752-A755 PolarHBondContact O-N 2.87Å; M752-D756 PolarHBondContact O-N 3.35Å |
| 753 | E | 62.3 | Low | 62 | Low | 89 Ų | 89 | 105.5 Ų | 105.5 | 42% | 0.416 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.9 | -35.5 | 173.3 | -78.5 | -166.7 | 149.5 | 0 | 0 | 112.4 | Y749 L750 A755 | Y749-E753 HydrophobicContact CE1-CG 4.26Å; Y749-E753 HydrophobicContact CE2-CG 4.33Å; Y749-E753 VanDerWaalsContact CZ-CD 3.47Å; Y749-E753 PolarHBondContact O-N 2.78Å; Y749-E753 PolarHBondContact OH-OE1 3.02Å; L750-E753 PolarHBondContact O-N 2.9Å; E753-A755 VanDerWaalsContact C-N 3.32Å |
| 754 | E | 58.9 | Low | 59.2 | Low | 165 Ų | 165 | 106.4 Ų | 106.4 | 77% | 0.771 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.9 | -28 | 174.7 | -73.7 | -175.9 | 174.3 | 0 | 0 | 112.8 | L750 | L750-E754 PolarHBondContact O-N 2.94Å |
| 755 | A | 55.8 | Low | 56.6 | Low | 84 Ų | 84 | 112.7 Ų | 112.7 | 69% | 0.694 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -79.6 | -19.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E751 M752 E753 | E751-A755 WeakPolarHBondContact O-CB 3.37Å; E751-A755 PolarHBondContact O-N 3.25Å; M752-A755 PolarHBondContact O-N 2.87Å; E753-A755 VanDerWaalsContact C-N 3.32Å |
| 756 | D | 48.8 | Very low | 54 | Low | 87 Ų | 87 | 120.6 Ų | 120.6 | 47% | 0.465 | 61% | 0.614 | S | S | . | * | trans | -126 | 79.2 | 179.4 | -161.9 | -4.8 | 0 | 0 | 0 | 112.4 | M752 T758 | M752-D756 PolarHBondContact O-N 3.35Å; D756-T758 PolarHBondContact O-N 2.8Å; D756-T758 PolarHBondContact OD1-OG1 2.73Å | ||
| 757 | P | 45.8 | Very low | 51.1 | Low | 97 Ų | 97 | 118.8 Ų | 118.8 | 63% | 0.63 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -68.7 | -2.9 | -174.3 | 25.6 | -32.3 | 0 | 0 | 0 | 114.2 | S760 | P757-S760 PolarHBondContact O-OG 2.71Š|
| 758 | T | 44.2 | Very low | 48.5 | Very low | 125 Ų | 125 | 118.2 Ų | 118.2 | 77% | 0.767 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -83.6 | -8.5 | -175.5 | 63.5 | 0 | 0 | 0 | 0 | 115 | D756 | D756-T758 PolarHBondContact O-N 2.8Å; D756-T758 PolarHBondContact OD1-OG1 2.73Å |
| 759 | S | 43.9 | Very low | 46.1 | Very low | 85 Ų | 85 | 122.9 Ų | 122.9 | 59% | 0.594 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -96.1 | -6.2 | 178.4 | 70.2 | 0 | 0 | 0 | 0 | 114.8 | N761 | S759-N761 PolarHBondContact O-N 2.99Š|
| 760 | S | 36.7 | Very low | 43.9 | Very low | 89 Ų | 89 | 127.4 Ų | 127.4 | 62% | 0.622 | 69% | 0.685 | S | S | * | * | trans | -79.1 | 83 | -177 | 67.2 | 0 | 0 | 0 | 0 | 112.5 | P757 | P757-S760 PolarHBondContact O-OG 2.71Š| ||
| 761 | N | 35.7 | Very low | 41.6 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | trans | -169.5 | 86.5 | 149.2 | -96.5 | -33 | 0 | 0 | 0 | 111.2 | S759 | S759-N761 PolarHBondContact O-N 2.99Š| ||
| 762 | K | 35 | Very low | 39.8 | Very low | 199 Ų | 199 | 133 Ų | 133 | 87% | 0.865 | 72% | 0.718 | S | S | * | * | trans | 177.6 | 72.5 | 140.1 | -97.5 | 166.4 | -174.2 | -178 | 0 | 110.4 | T764 | K762-T764 PolarHBondContact O-N 3.27Š| ||
| 763 | E | 34.8 | Very low | 38 | Very low | 199 Ų | 199 | 137.8 Ų | 137.8 | 93% | 0.93 | 75% | 0.745 | S | S | * | * | trans | -73.1 | 119.7 | 157 | -76.1 | -174.2 | 153.3 | 0 | 0 | 108.7 | ||||
| 764 | T | 28.9 | Very low | 36.6 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -120.4 | 119 | 159 | -32.6 | 0 | 0 | 0 | 0 | 107.2 | K762 I766 | K762-T764 PolarHBondContact O-N 3.27Å; T764-I766 PolarHBondContact O-N 3.36Å | ||
| 765 | R | 30.8 | Very low | 35.7 | Very low | 240 Ų | 240 | 133.5 Ų | 133.5 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | trans | -50.3 | 127.2 | -177.8 | -68.5 | 173.2 | 174.6 | 175.3 | -3.5 | 111.8 | ||||
| 766 | I | 31.1 | Very low | 34.4 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -74 | 121.6 | 168.2 | -60.6 | 170.3 | 0 | 0 | 0 | 107.6 | T764 | T764-I766 PolarHBondContact O-N 3.36Š| ||
| 767 | S | 24.9 | Very low | 33.7 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | -104.1 | 146 | 165.6 | -59.4 | 0 | 0 | 0 | 0 | 108.6 | D769 | S767-D769 PolarHBondContact O-N 2.87Š| ||
| 768 | P | 28.1 | Very low | 33 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -88.5 | 102.8 | -177.2 | 33.2 | -27.9 | 0 | 0 | 0 | 109.8 | ||||
| 769 | D | 26.4 | Very low | 32.5 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -91.6 | 111.7 | 166.2 | -85.7 | -27.5 | 0 | 0 | 0 | 109.5 | S767 | S767-D769 PolarHBondContact O-N 2.87Š| ||
| 770 | I | 31.7 | Very low | 31.9 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -81.7 | 121.4 | 172.3 | -62.3 | 169.3 | 0 | 0 | 0 | 107.4 | ||||
| 771 | H | 28.9 | Very low | 31.8 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -129.8 | 139.3 | 157.8 | -97.2 | -65 | 0 | 0 | 0 | 110.8 | ||||
| 772 | P | 36.2 | Very low | 32 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -88.5 | 146.7 | -173.7 | 35.5 | -30.9 | 0 | 0 | 0 | 111.3 | ||||
| 773 | D | 29.6 | Very low | 32.1 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | trans | 91.6 | 133.5 | 151.4 | -137.8 | 3.9 | 0 | 0 | 0 | 119.2 | ||||
| 774 | G | 32.1 | Very low | 32 | Very low | 64 Ų | 64 | 136.6 Ų | 136.6 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | trans | 85.4 | 88.7 | 151.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | E776 | G774-E776 PolarHBondContact O-N 3.42Š| ||
| 775 | A | 41.1 | Very low | 33 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | 9.8 | 100.9 | 149 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 776 | E | 28.3 | Very low | 34.4 | Very low | 170 Ų | 170 | 127.6 Ų | 127.6 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | -156 | 125.4 | 146.5 | -110.4 | 175.8 | -160.3 | 0 | 0 | 108.5 | G774 N778 | G774-E776 PolarHBondContact O-N 3.42Å; E776-N778 VanDerWaalsContact C-N 3.32Å; E776-N778 PolarHBondContact O-N 2.89Å | ||
| 777 | C | 34.4 | Very low | 36.7 | Very low | 127 Ų | 127 | 121.3 Ų | 121.3 | 86% | 0.858 | 73% | 0.726 | S | S | * | * | trans | -74.2 | 85.2 | 179 | -161.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 778 | N | 30.1 | Very low | 39.5 | Very low | 134 Ų | 134 | 118.3 Ų | 118.3 | 72% | 0.717 | 70% | 0.704 | S | S | * | * | trans | -110.3 | 79.2 | 169.4 | -78 | -38.7 | 0 | 0 | 0 | 108.6 | E776 | E776-N778 VanDerWaalsContact C-N 3.32Å; E776-N778 PolarHBondContact O-N 2.89Å | ||
| 779 | A | 34.3 | Very low | 42.1 | Very low | 80 Ų | 80 | 112.7 Ų | 112.7 | 66% | 0.661 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 130.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 780 | P | 31.6 | Very low | 44.9 | Very low | 115 Ų | 115 | 105.6 Ų | 105.6 | 75% | 0.747 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 137.7 | 168.9 | 18.7 | -19.3 | 0 | 0 | 0 | 108.2 | M782 | P780-M782 PolarHBondContact O-N 3.05Š|
| 781 | P | 35 | Very low | 47.6 | Very low | 117 Ų | 117 | 100.5 Ų | 100.5 | 76% | 0.76 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 127.4 | -177.2 | 23.1 | -31.5 | 0 | 0 | 0 | 109.6 | R783 | P781-R783 PolarHBondContact O-N 2.54Å; P781-R783 VanDerWaalsContact O-N 3.14Å |
| 782 | M | 37.9 | Very low | 50.5 | Low | 99 Ų | 99 | 92 Ų | 92 | 49% | 0.488 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -48.8 | 121.1 | 176.2 | -67.9 | -163.5 | 100.7 | 0 | 0 | 109.2 | P780 R791 | P780-M782 PolarHBondContact O-N 3.05Å; M782-R791 HydrophobicContact CE-CB 4.08Å; M782-R791 HydrophobicContact CE-CG 4Å |
| 783 | R | 37.6 | Very low | 53.1 | Low | 207 Ų | 207 | 88.2 Ų | 88.2 | 78% | 0.781 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 124.5 | -178.9 | -68.6 | -176.1 | -177.1 | 178.2 | 3.2 | 109.3 | P781 G785 | P781-R783 PolarHBondContact O-N 2.54Å; P781-R783 VanDerWaalsContact O-N 3.14Å; R783-G785 PolarHBondContact O-N 2.99Å |
| 784 | P | 32.8 | Very low | 56.1 | Low | 137 Ų | 137 | 83 Ų | 83 | 89% | 0.89 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 116.1 | 175.5 | -10.8 | 24.6 | 0 | 0 | 0 | 109.1 | ||
| 785 | G | 49.8 | Very low | 59 | Low | 83 Ų | 83 | 80.1 Ų | 80.1 | 86% | 0.856 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 137.7 | -1.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | R783 | R783-G785 PolarHBondContact O-N 2.99Š|
| 786 | Q | 61.7 | Low | 61.4 | Low | 97 Ų | 97 | 75.5 Ų | 75.5 | 45% | 0.453 | 44% | 0.441 | S | S | . | . | trans | -85.9 | 143.4 | 174.8 | -70.2 | 178.2 | -32.8 | 0 | 0 | 111.6 | A790 R791 | Q786-A790 HydrophobicContact CB-CB 4.21Å; Q786-R791 HydrophobicContact CB-CG 4.27Å | ||
| 787 | S | 77.8 | Confident | 64.5 | Low | 37 Ų | 37 | 73.4 Ų | 73.4 | 26% | 0.259 | 43% | 0.431 | S | S | . | . | trans | -61.5 | 153.3 | 174.5 | 71.4 | 0 | 0 | 0 | 0 | 111.3 | Y749 A789 A790 R791 | Y749-S787 VanDerWaalsContact CD2-OG 3.23Å; Y749-S787 WeakPolarHBondContact CD2-OG 3.2Å; Y749-S787 VanDerWaalsContact CE2-OG 3.26Å; Y749-S787 WeakPolarHBondContact CE2-OG 3.09Å; S787-A789 PolarHBondContact O-N 3.26Å; S787-A790 WeakPolarHBondContact O-CB 3.36Å; S787-A790 PolarHBondContact O-N 2.93Å; S787-A790 PolarHBondContact OG-N 3.06Å; S787-R791 PolarHBondContact O-N 2.62Å; S787-R791 VanDerWaalsContact O-N 3.09Å | ||
| 788 | V | 83.5 | Confident | 67.2 | Low | 28 Ų | 28 | 71.5 Ų | 71.5 | 17% | 0.17 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.1 | -34.3 | -179.3 | 175.8 | 0 | 0 | 0 | 0 | 111.9 | S291 A293 A790 R791 L792 | S291-V788 WeakPolarHBondContact O-CG2 3.2Å; A293-V788 HydrophobicContact CB-CG1 4.07Å; V788-A790 PolarHBondContact O-N 3Å; V788-R791 PolarHBondContact O-N 3.36Å; V788-L792 HydrophobicContact CG1-CD1 4.31Å; V788-L792 PolarHBondContact O-N 2.56Å |
| 789 | A | 84 | Confident | 70.2 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.008 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M296 Y749 S787 L792 L793 | M296-A789 HydrophobicContact SD-CB 4.5Å; Y749-A789 HydrophobicContact CD2-CB 4.2Å; S787-A789 PolarHBondContact O-N 3.26Å; A789-L792 PolarHBondContact O-N 2.64Å; A789-L793 VanDerWaalsContact O-CG 3.26Å; A789-L793 WeakPolarHBondContact O-CG 3.42Å; A789-L793 PolarHBondContact O-N 2.96Å |
| 790 | A | 84.9 | Confident | 73 | Confident | 11 Ų | 11 | 65.2 Ų | 65.2 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.7 | -45 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y749 Q786 S787 V788 L792 L793 V794 | Y749-A790 HydrophobicContact CD2-CB 4.02Å; Y749-A790 HydrophobicContact CE2-CB 3.56Å; Q786-A790 HydrophobicContact CB-CB 4.21Å; S787-A790 WeakPolarHBondContact O-CB 3.36Å; S787-A790 PolarHBondContact O-N 2.93Å; S787-A790 PolarHBondContact OG-N 3.06Å; V788-A790 PolarHBondContact O-N 3Å; A790-L792 VanDerWaalsContact C-N 3.33Å; A790-L792 PolarHBondContact O-N 3.01Å; A790-L793 PolarHBondContact O-N 3.16Å; A790-V794 WeakPolarHBondContact O-CG2 3.34Å; A790-V794 PolarHBondContact O-N 2.82Å |
| 791 | R | 88.8 | Confident | 75.8 | Confident | 46 Ų | 46 | 66 Ų | 66 | 17% | 0.174 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 178.5 | -65.9 | 172.9 | 66 | -161.2 | -2.5 | 111.4 | L277 E280 M782 Q786 S787 V788 V794 V795 | L277-R791 HydrophobicContact CD1-CB 4.31Å; L277-R791 HydrophobicContact CD2-CB 3.96Å; E280-R791 VanDerWaalsContact CD-NH1 3.32Å; E280-R791 IonicContact OE1-CZ 2.96Å; E280-R791 IonicContact OE1-NH1 3.33Å; E280-R791 PolarHBondContact OE1-NH1 3.34Å; E280-R791 IonicContact OE1-NH2 3.96Å; E280-R791 IonicContact OE2-CZ 2.65Å; E280-R791 VanDerWaalsContact OE2-CZ 3.25Å; E280-R791 IonicContact OE2-NH1 3.78Å; E280-R791 PolarHBondContact OE2-NH1 3.38Å; E280-R791 IonicContact OE2-NH2 2.98Å; E280-R791 PolarHBondContact OE2-NH2 2.8Å; M782-R791 HydrophobicContact CE-CB 4.08Å; M782-R791 HydrophobicContact CE-CG 4Å; Q786-R791 HydrophobicContact CB-CG 4.27Å; S787-R791 PolarHBondContact O-N 2.62Å; S787-R791 VanDerWaalsContact O-N 3.09Å; V788-R791 PolarHBondContact O-N 3.36Å; R791-V794 PolarHBondContact O-N 2.67Å; R791-V795 WeakPolarHBondContact O-CG2 3.48Å; R791-V795 PolarHBondContact O-N 2.97Å; R791-V795 VanDerWaalsContact O-N 3.13Å |
| 792 | L | 89.9 | Confident | 78.4 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 174.5 | -77.8 | 172.6 | 0 | 0 | 0 | 112.2 | L274 L277 A293 M296 L738 L745 V788 A789 A790 V794 V795 I796 | L274-L792 HydrophobicContact CD1-CD2 4.09Å; L277-L792 HydrophobicContact CD1-CD2 3.9Å; L277-L792 HydrophobicContact CD1-CG 4.35Å; A293-L792 HydrophobicContact CB-CD1 4.22Å; A293-L792 HydrophobicContact CB-CD2 4.25Å; A293-L792 HydrophobicContact CB-CG 4.47Å; M296-L792 HydrophobicContact CB-CD1 3.8Å; M296-L792 HydrophobicContact CG-CD1 4.29Å; L738-L792 HydrophobicContact CD1-CD2 4.08Å; L745-L792 HydrophobicContact CD2-CB 4.18Å; L745-L792 HydrophobicContact CD2-CD1 3.95Å; V788-L792 HydrophobicContact CG1-CD1 4.31Å; V788-L792 PolarHBondContact O-N 2.56Å; A789-L792 PolarHBondContact O-N 2.64Å; A790-L792 VanDerWaalsContact C-N 3.33Å; A790-L792 PolarHBondContact O-N 3.01Å; L792-V794 PolarHBondContact O-N 3.03Å; L792-V795 PolarHBondContact O-N 2.86Å; L792-I796 WeakPolarHBondContact O-CD1 3.47Å; L792-I796 WeakPolarHBondContact O-CG1 3.26Å; L792-I796 PolarHBondContact O-N 3.45Å |
| 793 | L | 90 | Very high | 80.9 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 15% | 0.152 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 178.1 | -73.7 | 168.9 | 0 | 0 | 0 | 112.2 | R742 L745 Y749 A789 A790 I796 E797 | R742-L793 HydrophobicContact CG-CD2 3.88Å; L745-L793 HydrophobicContact CB-CD2 4.3Å; Y749-L793 HydrophobicContact CG-CD1 4.49Å; A789-L793 VanDerWaalsContact O-CG 3.26Å; A789-L793 WeakPolarHBondContact O-CG 3.42Å; A789-L793 PolarHBondContact O-N 2.96Å; A790-L793 PolarHBondContact O-N 3.16Å; L793-I796 PolarHBondContact O-N 3Å; L793-E797 PolarHBondContact O-N 3.39Å |
| 794 | V | 91.9 | Very high | 83.3 | Confident | 58 Ų | 58 | 49 Ų | 49 | 35% | 0.352 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 174.5 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | A790 R791 L792 I796 E797 D798 | A790-V794 WeakPolarHBondContact O-CG2 3.34Å; A790-V794 PolarHBondContact O-N 2.82Å; R791-V794 PolarHBondContact O-N 2.67Å; L792-V794 PolarHBondContact O-N 3.03Å; V794-I796 VanDerWaalsContact C-N 3.3Å; V794-I796 PolarHBondContact O-N 3.43Å; V794-E797 PolarHBondContact O-N 2.88Å; V794-E797 VanDerWaalsContact O-N 3.12Å; V794-D798 PolarHBondContact O-N 3.16Å |
| 795 | V | 93.3 | Very high | 85.9 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.03 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.7 | -37.4 | 178.6 | 171.6 | 0 | 0 | 0 | 0 | 112.1 | P273 L274 L277 R791 L792 L799 | P273-V795 HydrophobicContact CB-CG1 4.5Å; P273-V795 HydrophobicContact CB-CG2 3.88Å; L274-V795 HydrophobicContact CB-CG1 3.78Å; L274-V795 HydrophobicContact CD1-CG1 4.42Å; L277-V795 HydrophobicContact CD1-CB 4.41Å; L277-V795 HydrophobicContact CD1-CG2 3.74Å; R791-V795 WeakPolarHBondContact O-CG2 3.48Å; R791-V795 PolarHBondContact O-N 2.97Å; R791-V795 VanDerWaalsContact O-N 3.13Å; L792-V795 PolarHBondContact O-N 2.86Å; V795-L799 HydrophobicContact CG1-CD1 3.96Å; V795-L799 HydrophobicContact CG1-CG 4.49Å; V795-L799 WeakPolarHBondContact O-CB 3.14Å; V795-L799 VanDerWaalsContact O-CG 3.28Å; V795-L799 WeakPolarHBondContact O-CG 3.33Å; V795-L799 PolarHBondContact O-N 3.08Å; V795-L799 VanDerWaalsContact O-N 3.07Å |
| 796 | I | 92.7 | Very high | 87.5 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 174.3 | -68.2 | 162.8 | 0 | 0 | 0 | 110.5 | Y735 L738 L739 L745 L792 L793 V794 L799 E800 | Y735-I796 HydrophobicContact CE2-CG2 4.21Å; L738-I796 HydrophobicContact CB-CD1 3.84Å; L738-I796 HydrophobicContact CB-CG1 4.09Å; L739-I796 HydrophobicContact CD1-CG2 3.73Å; L745-I796 HydrophobicContact CD1-CD1 4.45Å; L792-I796 WeakPolarHBondContact O-CD1 3.47Å; L792-I796 WeakPolarHBondContact O-CG1 3.26Å; L792-I796 PolarHBondContact O-N 3.45Å; L793-I796 PolarHBondContact O-N 3Å; V794-I796 VanDerWaalsContact C-N 3.3Å; V794-I796 PolarHBondContact O-N 3.43Å; I796-L799 PolarHBondContact O-N 3.42Å; I796-E800 WeakPolarHBondContact O-CB 3.46Å; I796-E800 PolarHBondContact O-N 2.91Å |
| 797 | E | 92.8 | Very high | 88.5 | Confident | 127 Ų | 127 | 42.4 Ų | 42.4 | 59% | 0.593 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -65 | -45.1 | 179.9 | -172.5 | 169.4 | -168.1 | 0 | 0 | 111.9 | L793 V794 L799 E800 Q801 | L793-E797 PolarHBondContact O-N 3.39Å; V794-E797 PolarHBondContact O-N 2.88Å; V794-E797 VanDerWaalsContact O-N 3.12Å; E797-L799 PolarHBondContact O-N 3.26Å; E797-E800 PolarHBondContact O-N 3.38Å; E797-Q801 PolarHBondContact O-N 3.24Å |
| 798 | D | 91.8 | Very high | 88.7 | Confident | 86 Ų | 86 | 45.8 Ų | 45.8 | 46% | 0.46 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.5 | -44 | 176.8 | -71.3 | -19.6 | 0 | 0 | 0 | 111.8 | V794 Q801 A802 | V794-D798 PolarHBondContact O-N 3.16Å; D798-Q801 PolarHBondContact O-N 3.42Å; D798-A802 WeakPolarHBondContact O-CB 3.33Å; D798-A802 PolarHBondContact O-N 3.12Å |
| 799 | L | 92.3 | Very high | 88.5 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.9 | -42 | 176.6 | -73.5 | 171.7 | 0 | 0 | 0 | 111.5 | L266 Y270 Y271 L274 Y735 V795 I796 E797 Q801 A802 H803 | L266-L799 HydrophobicContact CD1-CD2 3.86Å; Y270-L799 WeakPolarHBondContact O-CD2 3.26Å; Y271-L799 HydrophobicContact CD1-CD1 4.47Å; Y271-L799 HydrophobicContact CD1-CD2 3.79Å; Y271-L799 HydrophobicContact CE1-CD2 3.98Å; L274-L799 HydrophobicContact CD2-CD1 4.29Å; Y735-L799 HydrophobicContact CD2-CB 3.82Å; Y735-L799 HydrophobicContact CD2-CD1 3.47Å; Y735-L799 VanDerWaalsContact CD2-CD1 3.47Å; Y735-L799 HydrophobicContact CD2-CG 4.29Å; Y735-L799 HydrophobicContact CE2-CB 3.53Å; Y735-L799 HydrophobicContact CE2-CD1 4.11Å; Y735-L799 HydrophobicContact CE2-CG 4.48Å; Y735-L799 HydrophobicContact CG-CB 4.44Å; Y735-L799 HydrophobicContact CG-CD1 3.84Å; V795-L799 HydrophobicContact CG1-CD1 3.96Å; V795-L799 HydrophobicContact CG1-CG 4.49Å; V795-L799 WeakPolarHBondContact O-CB 3.14Å; V795-L799 VanDerWaalsContact O-CG 3.28Å; V795-L799 WeakPolarHBondContact O-CG 3.33Å; V795-L799 PolarHBondContact O-N 3.08Å; V795-L799 VanDerWaalsContact O-N 3.07Å; I796-L799 PolarHBondContact O-N 3.42Å; E797-L799 PolarHBondContact O-N 3.26Å; L799-Q801 PolarHBondContact O-N 3.29Å; L799-A802 PolarHBondContact O-N 3.12Å; L799-H803 WeakPolarHBondContact O-CB 3.42Å; L799-H803 PolarHBondContact O-CD2 3.31Å; L799-H803 PolarHBondContact O-N 3.31Å |
| 800 | E | 92.9 | Very high | 88 | Confident | 80 Ų | 80 | 54.2 Ų | 54.2 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 176.7 | -172.3 | 170 | -142.3 | 0 | 0 | 111.1 | Y735 R742 I796 E797 H803 A804 | Y735-E800 WeakPolarHBondContact OH-CA 3.45Å; Y735-E800 PolarHBondContact OH-N 3.44Å; R742-E800 IonicContact NH1-OE1 3.91Å; R742-E800 IonicContact NH1-OE2 2.76Å; R742-E800 PolarHBondContact NH1-OE2 2.78Å; R742-E800 VanDerWaalsContact NH1-OE2 3.15Å; I796-E800 WeakPolarHBondContact O-CB 3.46Å; I796-E800 PolarHBondContact O-N 2.91Å; E797-E800 PolarHBondContact O-N 3.38Å; E800-H803 PolarHBondContact O-N 2.88Å; E800-A804 PolarHBondContact O-N 3.32Å |
| 801 | Q | 91.3 | Very high | 87.5 | Confident | 130 Ų | 130 | 58.8 Ų | 58.8 | 61% | 0.607 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.8 | -41.6 | 176.4 | -173 | 176.6 | 6.9 | 0 | 0 | 112.3 | E797 D798 L799 A804 T805 | E797-Q801 PolarHBondContact O-N 3.24Å; D798-Q801 PolarHBondContact O-N 3.42Å; L799-Q801 PolarHBondContact O-N 3.29Å; Q801-A804 PolarHBondContact O-N 3.37Å; Q801-T805 WeakPolarHBondContact O-CB 3.49Å; Q801-T805 PolarHBondContact O-N 2.96Å; Q801-T805 PolarHBondContact O-OG1 3.49Å |
| 802 | A | 89.6 | Confident | 86.6 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 7% | 0.066 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L266 Y270 D798 L799 A804 T805 F806 | L266-A802 HydrophobicContact CD1-CB 3.75Å; L266-A802 HydrophobicContact CD2-CB 4.24Å; Y270-A802 HydrophobicContact CD1-CB 3.61Å; Y270-A802 HydrophobicContact CE1-CB 3.72Å; Y270-A802 HydrophobicContact CG-CB 4.45Å; D798-A802 WeakPolarHBondContact O-CB 3.33Å; D798-A802 PolarHBondContact O-N 3.12Å; L799-A802 PolarHBondContact O-N 3.12Å; A802-A804 PolarHBondContact O-N 2.8Å; A802-T805 PolarHBondContact O-N 2.88Å; A802-F806 WeakPolarHBondContact O-CD2 3.38Å; A802-F806 PolarHBondContact O-N 2.92Å; A802-F806 VanDerWaalsContact O-N 3.09Å |
| 803 | H | 89.1 | Confident | 85.4 | Confident | 16 Ų | 16 | 66.4 Ų | 66.4 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.7 | -49 | 174.3 | -88.7 | -74 | 0 | 0 | 0 | 111.7 | M1 R264 Q732 Y735 L799 E800 T805 F806 Q807 | M1-H803 VanDerWaalsContact CE-CE1 3.42Å; M1-H803 WeakPolarHBondContact CE-CE1 3.31Å; M1-H803 WeakPolarHBondContact CE-ND1 3.23Å; R264-H803 PolarHBondContact O-CE1 2.83Å; R264-H803 VanDerWaalsContact O-CE1 3.25Å; Q732-H803 PolarHBondContact NE2-CE1 2.91Å; Q732-H803 PolarHBondContact NE2-NE2 3.22Å; Q732-H803 PolarHBondContact OE1-NE2 2.84Å; Y735-H803 AromaticContact CE1-CD2 3.64Å; Y735-H803 AromaticContact CE1-NE2 3.7Å; L799-H803 WeakPolarHBondContact O-CB 3.42Å; L799-H803 PolarHBondContact O-CD2 3.31Å; L799-H803 PolarHBondContact O-N 3.31Å; E800-H803 PolarHBondContact O-N 2.88Å; H803-T805 VanDerWaalsContact C-N 3.34Å; H803-T805 PolarHBondContact O-N 3.06Å; H803-F806 PolarHBondContact O-N 2.89Å; H803-Q807 VanDerWaalsContact O-CG 3.27Å; H803-Q807 WeakPolarHBondContact O-CG 3.06Å; H803-Q807 PolarHBondContact O-N 3.35Å |
| 804 | A | 88.4 | Confident | 83.7 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E800 Q801 A802 F806 Q807 L808 | E800-A804 PolarHBondContact O-N 3.32Å; Q801-A804 PolarHBondContact O-N 3.37Å; A802-A804 PolarHBondContact O-N 2.8Å; A804-F806 PolarHBondContact O-N 2.93Å; A804-Q807 PolarHBondContact O-N 3.01Å; A804-L808 WeakPolarHBondContact O-CG 3.49Å; A804-L808 PolarHBondContact O-N 2.81Å |
| 805 | T | 87.3 | Confident | 81.5 | Confident | 58 Ų | 58 | 68.2 Ų | 68.2 | 36% | 0.356 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 179.4 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | Q801 A802 H803 R809 | Q801-T805 WeakPolarHBondContact O-CB 3.49Å; Q801-T805 PolarHBondContact O-N 2.96Å; Q801-T805 PolarHBondContact O-OG1 3.49Å; A802-T805 PolarHBondContact O-N 2.88Å; H803-T805 VanDerWaalsContact C-N 3.34Å; H803-T805 PolarHBondContact O-N 3.06Å; T805-R809 WeakPolarHBondContact O-CG 3.17Å; T805-R809 PolarHBondContact O-N 2.83Å |
| 806 | F | 83.4 | Confident | 78.9 | Confident | 38 Ų | 38 | 76.3 Ų | 76.3 | 17% | 0.167 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.2 | -37.6 | 176.8 | -86.6 | -83.3 | 0 | 0 | 0 | 112.5 | M1 L266 P267 Y270 A802 H803 A804 L808 R809 E810 | M1-F806 HydrophobicContact CB-CB 4.44Å; M1-F806 HydrophobicContact CB-CD1 4.04Å; M1-F806 HydrophobicContact CB-CG 4.37Å; M1-F806 HydrophobicContact CE-CB 4.45Å; M1-F806 HydrophobicContact SD-CB 3.74Å; M1-F806 HydrophobicContact SD-CG 4.47Å; L266-F806 HydrophobicContact CD2-CD2 3.62Å; L266-F806 HydrophobicContact CD2-CE2 4.06Å; L266-F806 HydrophobicContact CD2-CG 4.34Å; P267-F806 HydrophobicContact CG-CZ 4.42Å; Y270-F806 HydrophobicContact CE2-CE2 4.24Å; A802-F806 WeakPolarHBondContact O-CD2 3.38Å; A802-F806 PolarHBondContact O-N 2.92Å; A802-F806 VanDerWaalsContact O-N 3.09Å; H803-F806 PolarHBondContact O-N 2.89Å; A804-F806 PolarHBondContact O-N 2.93Å; F806-L808 PolarHBondContact O-N 2.8Å; F806-R809 PolarHBondContact O-N 2.91Å; F806-E810 PolarHBondContact O-N 3.3Å |
| 807 | Q | 82.7 | Confident | 76.4 | Confident | 81 Ų | 81 | 81.6 Ų | 81.6 | 38% | 0.379 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 175.6 | -74 | 177.4 | 9.6 | 0 | 0 | 112.2 | H803 A804 E810 I811 | H803-Q807 VanDerWaalsContact O-CG 3.27Å; H803-Q807 WeakPolarHBondContact O-CG 3.06Å; H803-Q807 PolarHBondContact O-N 3.35Å; A804-Q807 PolarHBondContact O-N 3.01Å; Q807-E810 PolarHBondContact O-N 2.94Å; Q807-I811 WeakPolarHBondContact O-CG1 3.19Å; Q807-I811 PolarHBondContact O-N 3.36Å; Q807-I811 VanDerWaalsContact O-N 3.11Å |
| 808 | L | 82.9 | Confident | 73.7 | Confident | 108 Ų | 108 | 82.2 Ų | 82.2 | 57% | 0.565 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 177.1 | -73.2 | 169.3 | 0 | 0 | 0 | 111.8 | A804 F806 E810 I811 E812 | A804-L808 WeakPolarHBondContact O-CG 3.49Å; A804-L808 PolarHBondContact O-N 2.81Å; F806-L808 PolarHBondContact O-N 2.8Å; L808-E810 PolarHBondContact O-N 3.22Å; L808-I811 PolarHBondContact O-N 2.94Å; L808-E812 WeakPolarHBondContact O-CG 3.21Å; L808-E812 PolarHBondContact O-N 3.32Å |
| 809 | R | 79.4 | Confident | 70.8 | Confident | 134 Ų | 134 | 84.2 Ų | 84.2 | 51% | 0.506 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 176.5 | -71.8 | 178.1 | -178.4 | 177.7 | 1.4 | 112.6 | T805 F806 I811 E812 D813 | T805-R809 WeakPolarHBondContact O-CG 3.17Å; T805-R809 PolarHBondContact O-N 2.83Å; F806-R809 PolarHBondContact O-N 2.91Å; R809-I811 VanDerWaalsContact C-N 3.34Å; R809-I811 PolarHBondContact O-N 2.99Å; R809-E812 PolarHBondContact O-N 3.06Å; R809-D813 WeakPolarHBondContact O-CB 2.96Å; R809-D813 PolarHBondContact O-N 2.72Å |
| 810 | E | 72.9 | Confident | 67.8 | Low | 72 Ų | 72 | 90.5 Ų | 90.5 | 34% | 0.336 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 176.1 | -79.4 | -177.9 | 179.3 | 0 | 0 | 112.6 | R264 F806 Q807 L808 E812 D813 A814 | R264-E810 IonicContact CZ-OE2 3.27Å; R264-E810 IonicContact NH1-OE2 2.94Å; R264-E810 PolarHBondContact NH1-OE2 3.44Å; R264-E810 IonicContact NH2-OE2 3.8Å; F806-E810 PolarHBondContact O-N 3.3Å; Q807-E810 PolarHBondContact O-N 2.94Å; L808-E810 PolarHBondContact O-N 3.22Å; E810-E812 VanDerWaalsContact C-N 3.35Å; E810-D813 PolarHBondContact O-N 2.98Å; E810-A814 VanDerWaalsContact O-CB 3.24Å; E810-A814 WeakPolarHBondContact O-CB 3.47Å; E810-A814 PolarHBondContact O-N 2.95Å |
| 811 | I | 75.1 | Confident | 65 | Low | 108 Ų | 108 | 95.5 Ų | 95.5 | 55% | 0.554 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.8 | -42.8 | 176.1 | -66.5 | 165 | 0 | 0 | 0 | 110 | Q807 L808 R809 T815 | Q807-I811 WeakPolarHBondContact O-CG1 3.19Å; Q807-I811 PolarHBondContact O-N 3.36Å; Q807-I811 VanDerWaalsContact O-N 3.11Å; L808-I811 PolarHBondContact O-N 2.94Å; R809-I811 VanDerWaalsContact C-N 3.34Å; R809-I811 PolarHBondContact O-N 2.99Å; I811-T815 WeakPolarHBondContact O-CB 3.47Å; I811-T815 PolarHBondContact O-N 3.44Å; I811-T815 PolarHBondContact O-OG1 3.02Å |
| 812 | E | 70.1 | Confident | 63.7 | Low | 115 Ų | 115 | 93.8 Ų | 93.8 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 176.3 | -72.4 | 177.2 | 179.1 | 0 | 0 | 112.1 | L808 R809 E810 T815 R816 | L808-E812 WeakPolarHBondContact O-CG 3.21Å; L808-E812 PolarHBondContact O-N 3.32Å; R809-E812 PolarHBondContact O-N 3.06Å; E810-E812 VanDerWaalsContact C-N 3.35Å; E812-T815 PolarHBondContact O-N 3.26Å; E812-R816 WeakPolarHBondContact O-CG 3.31Å; E812-R816 PolarHBondContact O-N 3.46Å |
| 813 | D | 64.2 | Low | 62.4 | Low | 91 Ų | 91 | 98.3 Ų | 98.3 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69 | -42.3 | 178.4 | -74.5 | -23 | 0 | 0 | 0 | 112.1 | R809 E810 T815 R816 V817 | R809-D813 WeakPolarHBondContact O-CB 2.96Å; R809-D813 PolarHBondContact O-N 2.72Å; E810-D813 PolarHBondContact O-N 2.98Å; D813-T815 VanDerWaalsContact C-N 3.26Å; D813-T815 PolarHBondContact O-N 3.19Å; D813-R816 PolarHBondContact O-N 2.98Å; D813-R816 VanDerWaalsContact O-N 3.15Å; D813-V817 WeakPolarHBondContact O-CG2 3.26Å; D813-V817 PolarHBondContact O-N 3.1Å |
| 814 | A | 54.8 | Low | 60.9 | Low | 55 Ų | 55 | 102.9 Ų | 102.9 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | E810 I818 | E810-A814 VanDerWaalsContact O-CB 3.24Å; E810-A814 WeakPolarHBondContact O-CB 3.47Å; E810-A814 PolarHBondContact O-N 2.95Å; A814-I818 WeakPolarHBondContact O-CD1 3.3Å; A814-I818 VanDerWaalsContact O-CG1 3.29Å; A814-I818 WeakPolarHBondContact O-CG1 3.07Å; A814-I818 PolarHBondContact O-N 3.01Å |
| 815 | T | 45.7 | Very low | 59.3 | Low | 70 Ų | 70 | 106.4 Ų | 106.4 | 43% | 0.429 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.5 | -33.6 | 176.3 | -50.5 | 0 | 0 | 0 | 0 | 111.7 | I811 E812 D813 I818 L819 | I811-T815 WeakPolarHBondContact O-CB 3.47Å; I811-T815 PolarHBondContact O-N 3.44Å; I811-T815 PolarHBondContact O-OG1 3.02Å; E812-T815 PolarHBondContact O-N 3.26Å; D813-T815 VanDerWaalsContact C-N 3.26Å; D813-T815 PolarHBondContact O-N 3.19Å; T815-I818 PolarHBondContact O-N 2.78Å; T815-L819 HydrophobicContact CG2-CD1 3.99Å; T815-L819 WeakPolarHBondContact O-CG 3.47Å; T815-L819 PolarHBondContact O-N 2.88Å |
| 816 | R | 38.2 | Very low | 57.5 | Low | 176 Ų | 176 | 109.4 Ų | 109.4 | 66% | 0.664 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.8 | -39.1 | 174.4 | -78.2 | 177.4 | 176.6 | -173.6 | 1.7 | 113 | E812 D813 I818 L819 N820 | E812-R816 WeakPolarHBondContact O-CG 3.31Å; E812-R816 PolarHBondContact O-N 3.46Å; D813-R816 PolarHBondContact O-N 2.98Å; D813-R816 VanDerWaalsContact O-N 3.15Å; R816-I818 PolarHBondContact O-N 2.73Å; R816-L819 PolarHBondContact O-N 3.36Å; R816-N820 PolarHBondContact O-N 2.7Å; R816-N820 VanDerWaalsContact O-N 3.07Å |
| 817 | V | 39.2 | Very low | 55.8 | Low | 113 Ų | 113 | 114.1 Ų | 114.1 | 69% | 0.685 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.1 | -28.4 | 175.3 | 174.1 | 0 | 0 | 0 | 0 | 112 | D813 | D813-V817 WeakPolarHBondContact O-CG2 3.26Å; D813-V817 PolarHBondContact O-N 3.1Å |
| 818 | I | 37.5 | Very low | 53.8 | Low | 141 Ų | 141 | 116.5 Ų | 116.5 | 72% | 0.723 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -80.6 | -26 | 176 | -65.1 | 166.2 | 0 | 0 | 0 | 112.1 | A814 T815 R816 | A814-I818 WeakPolarHBondContact O-CD1 3.3Å; A814-I818 VanDerWaalsContact O-CG1 3.29Å; A814-I818 WeakPolarHBondContact O-CG1 3.07Å; A814-I818 PolarHBondContact O-N 3.01Å; T815-I818 PolarHBondContact O-N 2.78Å; R816-I818 PolarHBondContact O-N 2.73Å |
| 819 | L | 29.6 | Very low | 51.6 | Low | 127 Ų | 127 | 117.2 Ų | 117.2 | 67% | 0.665 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -98.1 | -13.7 | -175 | -74 | 169.5 | 0 | 0 | 0 | 114.8 | T815 R816 | T815-L819 HydrophobicContact CG2-CD1 3.99Å; T815-L819 WeakPolarHBondContact O-CG 3.47Å; T815-L819 PolarHBondContact O-N 2.88Å; R816-L819 PolarHBondContact O-N 3.36Å |
| 820 | N | 29.4 | Very low | 49.3 | Very low | 135 Ų | 135 | 115.8 Ų | 115.8 | 72% | 0.722 | 62% | 0.622 | S | S | * | * | trans | -142.8 | 106.7 | 170.5 | -86 | -26.3 | 0 | 0 | 0 | 110 | R816 | R816-N820 PolarHBondContact O-N 2.7Å; R816-N820 VanDerWaalsContact O-N 3.07Å | ||
| 821 | P | 35 | Very low | 47.2 | Very low | 186 Ų | 186 | 119.7 Ų | 119.7 | 100% | 1.208 | 65% | 0.648 | S | S | * | * | trans | -66.2 | 0 | 159.6 | -9.8 | 25.4 | 0 | 0 | 0 | 112.1 |
Retrieved 821 of 821 residues in 682.2 ms
(Link to these results)